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 2b9s_1_A DATA FIRST_RESID 27 DATA SEQUENCE DLNWWEQENL RIAMKGERRW ETLAHNGVLF PPEYEPHGIP IFYDGREFKM DATA SEQUENCE TPEEEEVATM FAVMKEHDYY RMEVFRRNFF ESWREILDKR QHPIRRLELC DATA SEQUENCE DFEPIYQWHL VQREKKLSRT KEEKKAIKEK QDAEAEPYRY CVWDGRREQV DATA SEQUENCE ANFRVEPPGL FRGRGKHPLM GKLKVRVQPE DITINIGETA EVPVPPAGHK DATA SEQUENCE WAAVQHDHTV TWLAMWRDSV AGNMKYVMLA PSSSVKGQSD MVKFEKARKL DATA SEQUENCE KDKVDDIRAS YMEDFKSNDL HVAQRAVAMY FIDRLALRVG NEKGEDEADT DATA SEQUENCE VGCCSLRVEH IQLMPDNIVR FDFLGKDSIR YQNDVAVLPE VYALLQRFTR DATA SEQUENCE RKSPGMDIFD QLNPTQLNDH LKSFMDGLSA KVFRTYNASI TLDRWFKEKP DATA SEQUENCE XXXXWSTADK LAYFNKANTE VAILCNHQKS 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.263 176.300 -0.061 0.000 2.045 27 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 L N 0.473 121.646 121.223 -0.083 0.000 2.472 28 L HA 0.395 4.735 4.340 0.001 0.000 0.260 28 L C 0.861 177.596 176.870 -0.224 0.000 1.209 28 L CA -0.776 53.968 54.840 -0.161 0.000 0.817 28 L CB 0.578 42.539 42.059 -0.164 0.000 1.106 28 L HN 0.281 nan 8.230 nan 0.000 0.479 29 N N 0.804 119.233 118.700 -0.453 0.000 2.467 29 N HA 0.007 4.748 4.740 0.001 0.000 0.262 29 N C 0.730 175.809 175.510 -0.717 0.000 1.234 29 N CA -0.265 52.345 53.050 -0.734 0.000 0.952 29 N CB 0.992 38.546 38.487 -1.554 0.000 1.158 29 N HN 0.754 nan 8.380 nan 0.000 0.463 30 W N 0.777 121.831 121.300 -0.411 0.000 2.800 30 W HA 0.007 4.667 4.660 0.001 0.000 0.249 30 W C 0.635 177.174 176.519 0.034 0.000 1.294 30 W CA -0.177 57.124 57.345 -0.072 0.000 1.402 30 W CB -0.579 28.942 29.460 0.102 0.000 1.126 30 W HN 0.678 nan 8.180 nan 0.000 0.652 31 W N 1.597 122.473 121.300 -0.707 0.000 3.177 31 W HA 0.351 5.012 4.660 0.001 0.000 0.309 31 W C 1.112 177.465 176.519 -0.277 0.000 1.224 31 W CA 0.513 57.454 57.345 -0.673 0.000 1.718 31 W CB -0.898 27.860 29.460 -1.169 0.000 1.078 31 W HN -0.171 nan 8.180 nan 0.000 0.618 32 E N 0.871 120.716 120.200 -0.591 0.000 2.479 32 E HA -0.031 4.320 4.350 0.001 0.000 0.193 32 E C 0.594 177.102 176.600 -0.154 0.000 1.049 32 E CA -0.170 56.040 56.400 -0.316 0.000 0.870 32 E CB 0.042 29.495 29.700 -0.411 0.000 0.944 32 E HN 0.134 nan 8.360 nan 0.000 0.492 33 Q N 1.165 120.904 119.800 -0.101 0.000 2.395 33 Q HA -0.014 4.326 4.340 0.001 0.000 0.271 33 Q C 1.128 177.146 176.000 0.030 0.000 1.026 33 Q CA 0.937 56.738 55.803 -0.003 0.000 0.900 33 Q CB 0.824 29.612 28.738 0.082 0.000 1.266 33 Q HN 0.239 nan 8.270 nan 0.000 0.430 34 E N 2.452 122.668 120.200 0.027 0.000 1.998 34 E HA -0.145 4.205 4.350 0.001 0.000 0.196 34 E C 0.941 177.573 176.600 0.053 0.000 1.003 34 E CA 1.754 58.173 56.400 0.032 0.000 0.829 34 E CB -1.267 28.447 29.700 0.022 0.000 0.777 34 E HN 0.885 nan 8.360 nan 0.000 0.460 35 N N 0.239 118.973 118.700 0.057 0.000 2.696 35 N HA 0.509 5.250 4.740 0.001 0.000 0.308 35 N C 0.176 175.730 175.510 0.074 0.000 1.915 35 N CA 0.220 53.308 53.050 0.063 0.000 0.906 35 N CB -0.341 38.174 38.487 0.047 0.000 1.284 35 N HN 0.809 nan 8.380 nan 0.000 0.488 36 L N -2.370 118.914 121.223 0.103 0.000 2.397 36 L HA 0.806 5.147 4.340 0.001 0.000 0.271 36 L C 0.590 177.520 176.870 0.101 0.000 1.148 36 L CA -0.861 54.047 54.840 0.113 0.000 0.825 36 L CB 0.744 42.903 42.059 0.167 0.000 1.117 36 L HN 0.363 nan 8.230 nan 0.000 0.456 37 R N 5.209 125.755 120.500 0.078 0.000 2.196 37 R HA 0.570 4.910 4.340 0.001 0.000 0.340 37 R C -0.470 175.863 176.300 0.055 0.000 1.043 37 R CA -0.387 55.750 56.100 0.061 0.000 0.883 37 R CB -0.233 30.094 30.300 0.044 0.000 1.078 37 R HN 0.767 nan 8.270 nan 0.000 0.462 38 I N 2.608 123.209 120.570 0.051 0.000 2.396 38 I HA 0.322 4.492 4.170 0.001 0.000 0.289 38 I C 1.099 177.227 176.117 0.018 0.000 1.056 38 I CA -0.283 61.027 61.300 0.017 0.000 1.365 38 I CB 1.622 39.621 38.000 -0.002 0.000 1.407 38 I HN 0.813 nan 8.210 nan 0.000 0.509 39 A N 6.620 129.453 122.820 0.022 0.000 2.425 39 A HA 0.700 5.021 4.320 0.001 0.000 0.249 39 A C 0.309 177.906 177.584 0.022 0.000 1.084 39 A CA -0.261 51.793 52.037 0.028 0.000 0.781 39 A CB 0.466 19.494 19.000 0.047 0.000 1.019 39 A HN 0.750 nan 8.150 nan 0.000 0.490 40 M N 1.654 121.265 119.600 0.018 0.000 2.494 40 M HA 0.607 5.088 4.480 0.001 0.000 0.300 40 M C 0.379 176.691 176.300 0.020 0.000 1.189 40 M CA -0.820 54.488 55.300 0.014 0.000 0.982 40 M CB -0.328 32.278 32.600 0.010 0.000 1.534 40 M HN 0.858 nan 8.290 nan 0.000 0.488 41 K N 0.841 121.251 120.400 0.017 0.000 2.511 41 K HA 0.319 4.639 4.320 0.001 0.000 0.280 41 K C 1.223 177.835 176.600 0.020 0.000 1.008 41 K CA 1.664 57.965 56.287 0.022 0.000 1.050 41 K CB -0.410 32.098 32.500 0.014 0.000 0.889 41 K HN 1.857 nan 8.250 nan 0.000 0.484 42 G N 2.847 111.661 108.800 0.024 0.000 2.253 42 G HA2 -0.271 3.690 3.960 0.001 0.000 0.251 42 G HA3 -0.271 3.690 3.960 0.001 0.000 0.251 42 G C -0.045 174.853 174.900 -0.004 0.000 0.998 42 G CA 0.329 45.438 45.100 0.014 0.000 0.621 42 G HN 0.681 nan 8.290 nan 0.000 0.524 43 E N 0.162 120.360 120.200 -0.003 0.000 2.351 43 E HA 0.443 4.794 4.350 0.001 0.000 0.255 43 E C 0.663 177.240 176.600 -0.038 0.000 1.188 43 E CA -0.898 55.490 56.400 -0.019 0.000 0.940 43 E CB 0.706 30.402 29.700 -0.007 0.000 1.094 43 E HN 0.282 nan 8.360 nan 0.000 0.474 44 R N 1.036 121.495 120.500 -0.069 0.000 2.458 44 R HA -0.041 4.299 4.340 0.001 0.000 0.303 44 R C 0.595 176.856 176.300 -0.066 0.000 1.013 44 R CA 0.239 56.266 56.100 -0.122 0.000 1.026 44 R CB 0.318 30.529 30.300 -0.148 0.000 0.948 44 R HN 0.377 nan 8.270 nan 0.000 0.417 45 R N 4.235 124.680 120.500 -0.092 0.000 2.250 45 R HA 0.116 4.456 4.340 0.001 0.000 0.194 45 R C -0.139 176.303 176.300 0.237 0.000 0.927 45 R CA 0.596 56.783 56.100 0.146 0.000 1.052 45 R CB 0.417 30.913 30.300 0.326 0.000 1.055 45 R HN 0.671 nan 8.270 nan 0.000 0.537 46 W N -0.769 120.457 121.300 -0.123 0.000 3.074 46 W HA 0.493 5.153 4.660 0.001 0.000 0.332 46 W C -0.197 176.282 176.519 -0.067 0.000 1.253 46 W CA -0.589 56.557 57.345 -0.332 0.000 1.180 46 W CB 0.730 29.508 29.460 -1.136 0.000 1.445 46 W HN -0.317 nan 8.180 nan 0.000 0.573 47 E N 0.951 121.286 120.200 0.226 0.000 2.290 47 E HA 0.055 4.405 4.350 0.001 0.000 0.199 47 E C 0.668 177.520 176.600 0.419 0.000 0.912 47 E CA 1.281 57.812 56.400 0.217 0.000 0.924 47 E CB 0.766 30.522 29.700 0.093 0.000 0.901 47 E HN 0.477 nan 8.360 nan 0.000 0.487 48 T N -0.624 114.139 114.554 0.349 0.000 2.893 48 T HA 0.647 4.997 4.350 0.001 0.000 0.293 48 T C -0.858 173.750 174.700 -0.152 0.000 1.027 48 T CA -0.901 61.324 62.100 0.208 0.000 0.988 48 T CB 1.969 70.886 68.868 0.082 0.000 1.043 48 T HN -0.057 nan 8.240 nan 0.000 0.461 49 L N 1.922 122.893 121.223 -0.420 0.000 2.516 49 L HA 0.840 5.180 4.340 0.001 0.000 0.267 49 L C -1.154 175.508 176.870 -0.346 0.000 0.957 49 L CA -0.620 53.801 54.840 -0.697 0.000 0.860 49 L CB 1.502 42.522 42.059 -1.732 0.000 1.265 49 L HN 1.216 nan 8.230 nan 0.000 0.403 50 A N 3.479 126.196 122.820 -0.172 0.000 2.371 50 A HA 0.923 5.244 4.320 0.001 0.000 0.311 50 A C -1.390 176.193 177.584 -0.001 0.000 1.068 50 A CA -0.167 51.802 52.037 -0.114 0.000 0.744 50 A CB 0.886 19.846 19.000 -0.067 0.000 1.239 50 A HN 1.113 nan 8.150 nan 0.000 0.435 51 H N -0.536 118.500 119.070 -0.058 0.000 2.967 51 H HA 0.512 5.069 4.556 0.001 0.000 0.318 51 H C -0.899 174.433 175.328 0.007 0.000 1.375 51 H CA -0.915 55.123 56.048 -0.018 0.000 1.132 51 H CB 0.760 30.515 29.762 -0.011 0.000 1.848 51 H HN 0.250 nan 8.280 nan 0.000 0.524 52 N N 0.423 119.216 118.700 0.155 0.000 2.235 52 N HA 0.268 5.009 4.740 0.001 0.000 0.209 52 N C 0.821 176.549 175.510 0.364 0.000 1.122 52 N CA 0.854 53.974 53.050 0.117 0.000 0.845 52 N CB 0.926 39.353 38.487 -0.099 0.000 1.004 52 N HN 1.001 nan 8.380 nan 0.000 0.499 53 G N 0.647 109.750 108.800 0.506 0.000 2.512 53 G HA2 -0.274 3.686 3.960 0.001 0.000 0.254 53 G HA3 -0.274 3.686 3.960 0.001 0.000 0.254 53 G C -0.370 174.736 174.900 0.344 0.000 1.199 53 G CA 0.081 45.417 45.100 0.393 0.000 0.941 53 G HN 0.430 nan 8.290 nan 0.000 0.569 54 V N -2.498 117.508 119.914 0.154 0.000 2.914 54 V HA 0.846 4.966 4.120 0.001 0.000 0.314 54 V C -0.077 175.671 176.094 -0.577 0.000 1.084 54 V CA -0.873 61.325 62.300 -0.171 0.000 0.963 54 V CB 1.837 33.477 31.823 -0.304 0.000 1.025 54 V HN 1.628 nan 8.190 nan 0.000 0.432 55 L N 3.705 124.564 121.223 -0.607 0.000 2.255 55 L HA 0.616 4.957 4.340 0.001 0.000 0.289 55 L C -0.700 175.963 176.870 -0.345 0.000 1.046 55 L CA -0.218 54.283 54.840 -0.565 0.000 0.816 55 L CB 0.013 41.870 42.059 -0.337 0.000 1.197 55 L HN 0.620 nan 8.230 nan 0.000 0.427 56 F N 6.741 126.607 119.950 -0.140 0.000 2.427 56 F HA 0.431 4.959 4.527 0.000 0.000 0.352 56 F C -1.294 174.459 175.800 -0.078 0.000 1.100 56 F CA -1.448 56.486 58.000 -0.111 0.000 1.191 56 F CB -0.063 38.876 39.000 -0.101 0.000 1.128 56 F HN 0.495 nan 8.300 nan 0.000 0.533 57 P HA 0.101 nan 4.420 nan 0.000 0.269 57 P C -2.525 174.825 177.300 0.085 0.000 1.217 57 P CA -0.981 62.160 63.100 0.068 0.000 0.783 57 P CB -0.339 31.387 31.700 0.042 0.000 0.898 58 P HA 0.161 nan 4.420 nan 0.000 0.267 58 P C 0.139 177.476 177.300 0.062 0.000 1.200 58 P CA 0.364 63.501 63.100 0.062 0.000 0.772 58 P CB -0.139 31.596 31.700 0.058 0.000 0.855 59 E N 1.972 122.197 120.200 0.041 0.000 2.437 59 E HA -0.057 4.293 4.350 0.001 0.000 0.263 59 E C -0.412 176.240 176.600 0.087 0.000 1.030 59 E CA -0.224 56.206 56.400 0.050 0.000 0.934 59 E CB -0.318 29.393 29.700 0.019 0.000 0.943 59 E HN 0.538 nan 8.360 nan 0.000 0.444 60 Y N 0.749 121.051 120.300 0.002 0.000 2.717 60 Y HA 0.368 4.919 4.550 0.000 0.000 0.330 60 Y C 0.777 176.678 175.900 0.003 0.000 1.217 60 Y CA 0.880 58.986 58.100 0.009 0.000 1.506 60 Y CB 0.151 38.608 38.460 -0.005 0.000 1.268 60 Y HN 0.691 nan 8.280 nan 0.000 0.561 61 E N 7.668 127.427 120.200 -0.735 0.000 2.063 61 E HA 0.411 4.762 4.350 0.001 0.000 0.265 61 E C -2.911 173.179 176.600 -0.850 0.000 0.919 61 E CA -2.316 53.753 56.400 -0.551 0.000 0.756 61 E CB -0.013 29.548 29.700 -0.231 0.000 1.120 61 E HN 0.521 nan 8.360 nan 0.000 0.414 62 P HA 0.211 nan 4.420 nan 0.000 0.271 62 P C 0.023 177.094 177.300 -0.382 0.000 1.218 62 P CA 0.066 62.860 63.100 -0.510 0.000 0.780 62 P CB 0.739 32.331 31.700 -0.179 0.000 0.901 63 H N -0.468 118.432 119.070 -0.284 0.000 2.648 63 H HA 0.309 4.866 4.556 0.001 0.000 0.265 63 H C 1.334 176.528 175.328 -0.224 0.000 0.961 63 H CA 0.179 56.027 56.048 -0.334 0.000 1.185 63 H CB -0.651 28.559 29.762 -0.920 0.000 1.449 63 H HN 0.560 nan 8.280 nan 0.000 0.523 64 G N 1.255 109.999 108.800 -0.093 0.000 2.166 64 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 64 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 64 G C -0.099 174.853 174.900 0.087 0.000 0.986 64 G CA 0.379 45.478 45.100 -0.002 0.000 0.683 64 G HN 0.352 nan 8.290 nan 0.000 0.527 65 I N 2.296 123.014 120.570 0.246 0.000 2.517 65 I HA 0.226 4.396 4.170 0.001 0.000 0.285 65 I C -1.041 175.159 176.117 0.138 0.000 1.106 65 I CA -2.648 58.716 61.300 0.106 0.000 1.402 65 I CB 0.053 37.971 38.000 -0.136 0.000 1.399 65 I HN 0.016 nan 8.210 nan 0.000 0.535 66 P HA 0.336 nan 4.420 nan 0.000 0.274 66 P C -0.325 177.059 177.300 0.140 0.000 1.246 66 P CA -0.368 62.760 63.100 0.046 0.000 0.795 66 P CB 1.225 32.859 31.700 -0.110 0.000 1.006 67 I N -2.770 117.904 120.570 0.173 0.000 3.062 67 I HA 0.612 4.782 4.170 0.001 0.000 0.316 67 I C -0.760 175.406 176.117 0.082 0.000 1.041 67 I CA -1.044 60.390 61.300 0.223 0.000 1.069 67 I CB 0.863 38.990 38.000 0.211 0.000 1.300 67 I HN -0.017 nan 8.210 nan 0.000 0.518 68 F N 2.119 122.162 119.950 0.155 0.000 2.449 68 F HA 0.437 4.966 4.527 0.003 0.000 0.342 68 F C -0.739 175.145 175.800 0.139 0.000 1.127 68 F CA -0.378 57.715 58.000 0.154 0.000 0.975 68 F CB 1.392 40.452 39.000 0.100 0.000 1.146 68 F HN 0.356 nan 8.300 nan 0.000 0.444 69 Y N 3.203 123.589 120.300 0.145 0.000 2.331 69 Y HA 0.310 4.861 4.550 0.002 0.000 0.338 69 Y C 0.559 176.505 175.900 0.076 0.000 0.992 69 Y CA -1.095 57.034 58.100 0.048 0.000 1.121 69 Y CB 0.878 39.275 38.460 -0.106 0.000 1.184 69 Y HN 0.710 nan 8.280 nan 0.000 0.469 70 D N 4.521 124.566 120.400 -0.592 0.000 2.702 70 D HA -0.224 4.417 4.640 0.001 0.000 0.233 70 D C 1.157 177.421 176.300 -0.061 0.000 1.164 70 D CA 2.080 55.871 54.000 -0.349 0.000 0.638 70 D CB -1.099 39.467 40.800 -0.389 0.000 1.041 70 D HN 1.231 nan 8.370 nan 0.000 0.422 71 G N -2.137 106.686 108.800 0.038 0.000 2.234 71 G HA2 -0.213 3.748 3.960 0.001 0.000 0.260 71 G HA3 -0.213 3.748 3.960 0.001 0.000 0.260 71 G C 0.528 175.603 174.900 0.291 0.000 0.987 71 G CA 1.067 46.246 45.100 0.132 0.000 0.625 71 G HN 1.096 nan 8.290 nan 0.000 0.532 72 R N 0.770 121.432 120.500 0.271 0.000 2.346 72 R HA 0.796 5.136 4.340 0.001 0.000 0.311 72 R C 0.310 176.712 176.300 0.169 0.000 0.983 72 R CA 0.377 56.630 56.100 0.254 0.000 0.880 72 R CB 0.587 30.992 30.300 0.175 0.000 1.100 72 R HN 0.807 nan 8.270 nan 0.000 0.453 73 E N 1.505 121.672 120.200 -0.054 0.000 2.502 73 E HA 0.117 4.467 4.350 0.001 0.000 0.261 73 E C -1.221 175.315 176.600 -0.108 0.000 0.974 73 E CA 0.290 56.355 56.400 -0.559 0.000 0.936 73 E CB 0.280 29.690 29.700 -0.484 0.000 0.926 73 E HN 0.550 nan 8.360 nan 0.000 0.459 74 F N 3.828 123.611 119.950 -0.279 0.000 2.536 74 F HA 0.393 4.920 4.527 0.000 0.000 0.322 74 F C -0.807 174.950 175.800 -0.071 0.000 1.144 74 F CA -0.866 57.076 58.000 -0.097 0.000 0.924 74 F CB 1.175 40.173 39.000 -0.003 0.000 1.181 74 F HN 0.272 nan 8.300 nan 0.000 0.438 75 K N 6.701 126.707 120.400 -0.657 0.000 2.110 75 K HA 0.637 4.957 4.320 0.001 0.000 0.263 75 K C -0.935 175.202 176.600 -0.773 0.000 0.975 75 K CA -0.787 55.188 56.287 -0.520 0.000 0.895 75 K CB 2.060 34.370 32.500 -0.316 0.000 1.060 75 K HN 0.680 nan 8.250 nan 0.000 0.448 76 M N 1.091 120.468 119.600 -0.372 0.000 2.530 76 M HA 0.170 4.651 4.480 0.001 0.000 0.307 76 M C -0.071 176.150 176.300 -0.132 0.000 1.161 76 M CA -0.908 54.248 55.300 -0.239 0.000 0.903 76 M CB 2.343 34.944 32.600 0.001 0.000 1.711 76 M HN 0.731 nan 8.290 nan 0.000 0.451 77 T N -1.058 113.434 114.554 -0.104 0.000 2.903 77 T HA 0.152 4.502 4.350 0.001 0.000 0.314 77 T C -2.109 172.579 174.700 -0.020 0.000 1.078 77 T CA -1.033 61.032 62.100 -0.060 0.000 1.114 77 T CB 0.214 69.048 68.868 -0.056 0.000 0.987 77 T HN 0.391 nan 8.240 nan 0.000 0.548 78 P HA -0.157 nan 4.420 nan 0.000 0.217 78 P C 1.428 178.715 177.300 -0.022 0.000 1.151 78 P CA 1.320 64.464 63.100 0.074 0.000 0.849 78 P CB 0.078 31.847 31.700 0.115 0.000 0.787 79 E N -0.191 119.987 120.200 -0.037 0.000 2.072 79 E HA -0.198 4.152 4.350 0.001 0.000 0.190 79 E C 1.770 178.353 176.600 -0.029 0.000 0.982 79 E CA 1.011 57.367 56.400 -0.072 0.000 0.803 79 E CB -0.146 29.528 29.700 -0.045 0.000 0.755 79 E HN 0.290 nan 8.360 nan 0.000 0.453 80 E N 0.502 120.728 120.200 0.042 0.000 2.072 80 E HA -0.197 4.154 4.350 0.001 0.000 0.191 80 E C 2.066 178.864 176.600 0.330 0.000 0.985 80 E CA 1.031 57.568 56.400 0.228 0.000 0.801 80 E CB -0.053 29.738 29.700 0.152 0.000 0.750 80 E HN 0.306 nan 8.360 nan 0.000 0.452 81 E N 1.189 121.472 120.200 0.138 0.000 2.106 81 E HA -0.250 4.100 4.350 0.001 0.000 0.192 81 E C 2.075 178.667 176.600 -0.012 0.000 0.984 81 E CA 0.930 57.397 56.400 0.111 0.000 0.806 81 E CB 0.092 29.801 29.700 0.015 0.000 0.750 81 E HN 0.234 nan 8.360 nan 0.000 0.458 82 E N 0.030 120.033 120.200 -0.329 0.000 2.051 82 E HA -0.167 4.183 4.350 0.001 0.000 0.192 82 E C 2.087 178.563 176.600 -0.207 0.000 0.991 82 E CA 1.457 57.449 56.400 -0.680 0.000 0.799 82 E CB 0.166 29.112 29.700 -1.257 0.000 0.748 82 E HN 0.171 nan 8.360 nan 0.000 0.449 83 V N 1.233 121.100 119.914 -0.077 0.000 2.379 83 V HA -0.196 3.924 4.120 0.001 0.000 0.245 83 V C 2.502 178.591 176.094 -0.009 0.000 1.044 83 V CA 1.557 63.870 62.300 0.021 0.000 1.036 83 V CB -0.742 31.152 31.823 0.118 0.000 0.664 83 V HN 0.435 nan 8.190 nan 0.000 0.453 84 A N 0.160 122.908 122.820 -0.120 0.000 1.917 84 A HA -0.268 4.052 4.320 0.001 0.000 0.219 84 A C 2.394 179.995 177.584 0.029 0.000 1.182 84 A CA 2.720 54.671 52.037 -0.143 0.000 0.633 84 A CB -1.033 18.067 19.000 0.166 0.000 0.819 84 A HN 0.510 nan 8.150 nan 0.000 0.448 85 T N -0.195 114.431 114.554 0.119 0.000 2.821 85 T HA -0.101 4.249 4.350 0.001 0.000 0.267 85 T C 1.907 176.653 174.700 0.076 0.000 1.046 85 T CA 1.590 63.800 62.100 0.182 0.000 1.139 85 T CB -0.293 68.770 68.868 0.325 0.000 0.871 85 T HN 0.448 nan 8.240 nan 0.000 0.454 86 M N 0.070 119.691 119.600 0.035 0.000 2.080 86 M HA -0.067 4.413 4.480 0.001 0.000 0.260 86 M C 2.022 178.289 176.300 -0.055 0.000 1.068 86 M CA 1.806 57.112 55.300 0.010 0.000 1.109 86 M CB -0.423 32.197 32.600 0.033 0.000 1.342 86 M HN 0.225 nan 8.290 nan 0.000 0.405 87 F N 0.757 120.462 119.950 -0.408 0.000 2.084 87 F HA -0.081 4.447 4.527 0.000 0.000 0.296 87 F C 2.422 177.990 175.800 -0.387 0.000 1.111 87 F CA 1.434 59.047 58.000 -0.645 0.000 1.224 87 F CB -0.715 37.242 39.000 -1.739 0.000 0.991 87 F HN 0.069 nan 8.300 nan 0.000 0.471 88 A N -0.181 122.387 122.820 -0.420 0.000 1.927 88 A HA -0.228 4.092 4.320 0.001 0.000 0.220 88 A C 2.314 179.810 177.584 -0.146 0.000 1.185 88 A CA 2.237 54.124 52.037 -0.249 0.000 0.639 88 A CB -1.526 17.543 19.000 0.113 0.000 0.820 88 A HN 0.309 nan 8.150 nan 0.000 0.451 89 V N -0.518 119.311 119.914 -0.142 0.000 2.809 89 V HA -0.125 3.995 4.120 0.001 0.000 0.256 89 V C 2.078 178.013 176.094 -0.265 0.000 1.080 89 V CA 1.679 63.813 62.300 -0.277 0.000 1.102 89 V CB -0.469 31.156 31.823 -0.331 0.000 0.705 89 V HN 0.601 nan 8.190 nan 0.000 0.475 90 M N -0.787 118.642 119.600 -0.285 0.000 2.505 90 M HA 0.052 4.533 4.480 0.001 0.000 0.230 90 M C 1.863 177.851 176.300 -0.520 0.000 1.153 90 M CA 0.329 55.475 55.300 -0.256 0.000 0.997 90 M CB -0.214 32.293 32.600 -0.154 0.000 1.606 90 M HN 0.179 nan 8.290 nan 0.000 0.481 91 K N 1.743 121.578 120.400 -0.943 0.000 2.127 91 K HA -0.223 4.097 4.320 0.001 0.000 0.208 91 K C 1.678 177.748 176.600 -0.883 0.000 1.047 91 K CA 2.106 57.417 56.287 -1.626 0.000 0.927 91 K CB 0.183 31.786 32.500 -1.495 0.000 0.716 91 K HN 0.487 nan 8.250 nan 0.000 0.450 92 E N 0.339 120.283 120.200 -0.426 0.000 2.479 92 E HA -0.039 4.312 4.350 0.001 0.000 0.193 92 E C 0.040 176.544 176.600 -0.160 0.000 1.049 92 E CA -0.010 56.252 56.400 -0.230 0.000 0.870 92 E CB -0.242 29.397 29.700 -0.101 0.000 0.944 92 E HN 0.321 nan 8.360 nan 0.000 0.492 93 H N 0.630 119.575 119.070 -0.209 0.000 2.511 93 H HA 0.181 4.737 4.556 0.001 0.000 0.346 93 H C 0.018 175.260 175.328 -0.144 0.000 1.128 93 H CA -0.357 55.600 56.048 -0.151 0.000 1.342 93 H CB 1.638 31.329 29.762 -0.119 0.000 1.470 93 H HN 0.112 nan 8.280 nan 0.000 0.546 94 D N 3.191 123.435 120.400 -0.259 0.000 2.158 94 D HA -0.197 4.443 4.640 0.001 0.000 0.197 94 D C 1.634 177.911 176.300 -0.038 0.000 0.995 94 D CA 1.183 55.093 54.000 -0.150 0.000 0.846 94 D CB -0.130 40.506 40.800 -0.273 0.000 0.941 94 D HN 0.575 nan 8.370 nan 0.000 0.456 95 Y N -0.110 120.197 120.300 0.010 0.000 2.151 95 Y HA -0.262 4.289 4.550 0.000 0.000 0.284 95 Y C 2.286 177.919 175.900 -0.445 0.000 1.166 95 Y CA 0.888 58.700 58.100 -0.479 0.000 1.163 95 Y CB -0.981 36.746 38.460 -1.221 0.000 0.974 95 Y HN 0.128 nan 8.280 nan 0.000 0.511 96 Y N 0.329 120.489 120.300 -0.233 0.000 2.315 96 Y HA -0.274 4.277 4.550 0.000 0.000 0.288 96 Y C 2.427 178.346 175.900 0.031 0.000 1.154 96 Y CA 2.231 60.237 58.100 -0.156 0.000 1.229 96 Y CB -0.134 38.141 38.460 -0.310 0.000 0.980 96 Y HN 0.054 nan 8.280 nan 0.000 0.540 97 R N 0.048 120.640 120.500 0.154 0.000 2.362 97 R HA 0.348 4.688 4.340 0.001 0.000 0.227 97 R C 0.288 176.657 176.300 0.116 0.000 0.905 97 R CA 0.369 56.541 56.100 0.120 0.000 1.067 97 R CB -0.931 29.425 30.300 0.094 0.000 1.078 97 R HN 0.295 nan 8.270 nan 0.000 0.516 98 M N 1.222 120.916 119.600 0.156 0.000 2.180 98 M HA 0.193 4.674 4.480 0.001 0.000 0.358 98 M C 0.364 176.802 176.300 0.230 0.000 1.233 98 M CA -0.475 54.937 55.300 0.187 0.000 1.114 98 M CB 1.699 34.439 32.600 0.233 0.000 1.594 98 M HN 0.110 nan 8.290 nan 0.000 0.467 99 E N 2.146 122.448 120.200 0.171 0.000 2.110 99 E HA -0.114 4.237 4.350 0.001 0.000 0.193 99 E C 1.786 178.495 176.600 0.182 0.000 0.988 99 E CA 1.237 57.730 56.400 0.155 0.000 0.804 99 E CB 0.025 29.790 29.700 0.108 0.000 0.745 99 E HN 0.626 nan 8.360 nan 0.000 0.458 100 V N 0.740 120.778 119.914 0.207 0.000 2.358 100 V HA -0.208 3.912 4.120 0.001 0.000 0.246 100 V C 2.140 178.378 176.094 0.239 0.000 1.047 100 V CA 1.561 63.983 62.300 0.204 0.000 1.035 100 V CB -0.601 31.348 31.823 0.211 0.000 0.658 100 V HN 0.167 nan 8.190 nan 0.000 0.452 101 F N 1.296 121.351 119.950 0.176 0.000 2.095 101 F HA -0.199 4.328 4.527 0.000 0.000 0.298 101 F C 2.628 178.542 175.800 0.190 0.000 1.104 101 F CA 1.855 59.961 58.000 0.177 0.000 1.232 101 F CB -0.178 38.955 39.000 0.221 0.000 0.987 101 F HN -0.041 nan 8.300 nan 0.000 0.475 102 R N -0.204 120.510 120.500 0.357 0.000 2.081 102 R HA -0.174 4.167 4.340 0.001 0.000 0.235 102 R C 2.392 178.781 176.300 0.149 0.000 1.131 102 R CA 1.660 57.905 56.100 0.241 0.000 0.960 102 R CB -0.504 29.926 30.300 0.216 0.000 0.856 102 R HN 0.315 nan 8.270 nan 0.000 0.436 103 R N 0.915 121.495 120.500 0.132 0.000 2.073 103 R HA -0.095 4.245 4.340 0.001 0.000 0.234 103 R C 1.702 178.053 176.300 0.086 0.000 1.134 103 R CA 1.745 57.916 56.100 0.119 0.000 0.952 103 R CB -0.168 30.193 30.300 0.103 0.000 0.850 103 R HN 0.149 nan 8.270 nan 0.000 0.433 104 N N 0.187 118.908 118.700 0.035 0.000 2.142 104 N HA -0.163 4.578 4.740 0.001 0.000 0.186 104 N C 1.527 176.988 175.510 -0.082 0.000 1.023 104 N CA 1.321 54.357 53.050 -0.024 0.000 0.852 104 N CB -0.445 38.025 38.487 -0.029 0.000 0.998 104 N HN 0.235 nan 8.380 nan 0.000 0.424 105 F N 1.211 120.999 119.950 -0.271 0.000 2.065 105 F HA -0.209 4.319 4.527 0.001 0.000 0.298 105 F C 2.181 177.923 175.800 -0.097 0.000 1.112 105 F CA 1.221 59.044 58.000 -0.296 0.000 1.212 105 F CB -0.755 37.931 39.000 -0.523 0.000 0.975 105 F HN -0.057 nan 8.300 nan 0.000 0.476 106 F N 1.746 121.348 119.950 -0.579 0.000 2.171 106 F HA -0.031 4.497 4.527 0.001 0.000 0.300 106 F C 2.528 178.147 175.800 -0.302 0.000 1.090 106 F CA 2.249 59.955 58.000 -0.490 0.000 1.293 106 F CB -1.263 37.661 39.000 -0.128 0.000 1.013 106 F HN 0.184 nan 8.300 nan 0.000 0.486 107 E N -0.353 119.736 120.200 -0.185 0.000 2.051 107 E HA -0.166 4.184 4.350 0.001 0.000 0.192 107 E C 2.274 178.723 176.600 -0.253 0.000 0.991 107 E CA 1.580 57.858 56.400 -0.204 0.000 0.799 107 E CB -1.309 28.343 29.700 -0.080 0.000 0.748 107 E HN 0.448 nan 8.360 nan 0.000 0.449 108 S N -0.795 114.767 115.700 -0.230 0.000 2.359 108 S HA -0.136 4.334 4.470 0.001 0.000 0.224 108 S C 1.767 176.247 174.600 -0.201 0.000 1.035 108 S CA 1.281 59.368 58.200 -0.189 0.000 1.018 108 S CB -0.459 62.658 63.200 -0.139 0.000 0.876 108 S HN 0.762 nan 8.310 nan 0.000 0.448 109 W N 2.932 123.871 121.300 -0.603 0.000 2.379 109 W HA 0.010 4.670 4.660 0.000 0.000 0.307 109 W C 2.161 178.366 176.519 -0.524 0.000 1.200 109 W CA 0.786 57.773 57.345 -0.596 0.000 1.297 109 W CB -0.464 28.439 29.460 -0.929 0.000 1.140 109 W HN 0.072 nan 8.180 nan 0.000 0.507 110 R N 0.600 120.700 120.500 -0.666 0.000 2.127 110 R HA -0.158 4.182 4.340 0.001 0.000 0.238 110 R C 1.941 177.987 176.300 -0.425 0.000 1.134 110 R CA 1.705 57.391 56.100 -0.691 0.000 0.975 110 R CB -0.951 28.931 30.300 -0.697 0.000 0.865 110 R HN 0.439 nan 8.270 nan 0.000 0.447 111 E N 0.127 120.143 120.200 -0.307 0.000 2.118 111 E HA -0.157 4.194 4.350 0.001 0.000 0.195 111 E C 2.015 178.499 176.600 -0.195 0.000 0.992 111 E CA 1.086 57.364 56.400 -0.204 0.000 0.804 111 E CB -0.100 29.509 29.700 -0.152 0.000 0.741 111 E HN 0.324 nan 8.360 nan 0.000 0.458 112 I N 0.511 120.946 120.570 -0.225 0.000 2.235 112 I HA -0.233 3.937 4.170 0.001 0.000 0.241 112 I C 2.288 178.243 176.117 -0.270 0.000 1.085 112 I CA 0.738 61.922 61.300 -0.194 0.000 1.378 112 I CB -0.134 37.791 38.000 -0.125 0.000 1.076 112 I HN 0.067 nan 8.210 nan 0.000 0.415 113 L N 0.465 121.402 121.223 -0.477 0.000 2.083 113 L HA -0.229 4.112 4.340 0.001 0.000 0.209 113 L C 1.598 178.235 176.870 -0.387 0.000 1.083 113 L CA 1.162 55.612 54.840 -0.651 0.000 0.752 113 L CB -0.585 40.709 42.059 -1.275 0.000 0.899 113 L HN 0.253 nan 8.230 nan 0.000 0.433 114 D N -0.175 120.091 120.400 -0.224 0.000 2.378 114 D HA -0.093 4.548 4.640 0.001 0.000 0.227 114 D C 1.859 178.132 176.300 -0.045 0.000 1.012 114 D CA 0.629 54.616 54.000 -0.022 0.000 0.905 114 D CB 0.052 40.810 40.800 -0.070 0.000 0.895 114 D HN 0.281 nan 8.370 nan 0.000 0.532 115 K N 0.170 120.523 120.400 -0.078 0.000 2.365 115 K HA -0.030 4.291 4.320 0.001 0.000 0.199 115 K C 0.793 177.371 176.600 -0.036 0.000 1.045 115 K CA 0.552 56.804 56.287 -0.060 0.000 0.962 115 K CB 0.344 32.801 32.500 -0.071 0.000 0.759 115 K HN 0.155 nan 8.250 nan 0.000 0.469 116 R N -1.214 119.279 120.500 -0.012 0.000 2.987 116 R HA 0.375 4.715 4.340 0.001 0.000 0.248 116 R C -0.666 175.676 176.300 0.068 0.000 1.264 116 R CA -0.782 55.323 56.100 0.010 0.000 1.026 116 R CB -0.318 29.977 30.300 -0.009 0.000 1.286 116 R HN -0.165 nan 8.270 nan 0.000 0.483 117 Q N 0.818 120.641 119.800 0.038 0.000 2.267 117 Q HA 0.516 4.856 4.340 0.001 0.000 0.255 117 Q C -0.523 175.525 176.000 0.080 0.000 0.923 117 Q CA -0.208 55.596 55.803 0.001 0.000 0.925 117 Q CB 0.056 28.778 28.738 -0.026 0.000 1.195 117 Q HN 0.901 nan 8.270 nan 0.000 0.417 118 H N 0.458 119.492 119.070 -0.060 0.000 3.003 118 H HA 0.543 5.099 4.556 0.000 0.000 0.327 118 H C -2.644 172.574 175.328 -0.184 0.000 1.353 118 H CA -1.536 54.481 56.048 -0.051 0.000 1.142 118 H CB 1.502 31.225 29.762 -0.065 0.000 1.864 118 H HN 0.529 nan 8.280 nan 0.000 0.529 119 P HA 0.228 nan 4.420 nan 0.000 0.268 119 P C 0.064 177.009 177.300 -0.592 0.000 1.329 119 P CA -0.122 62.786 63.100 -0.319 0.000 0.899 119 P CB 0.600 32.225 31.700 -0.125 0.000 1.378 120 I N 1.230 121.434 120.570 -0.610 0.000 2.494 120 I HA 0.148 4.319 4.170 0.001 0.000 0.289 120 I C 1.647 177.609 176.117 -0.258 0.000 1.106 120 I CA 0.226 61.005 61.300 -0.868 0.000 1.369 120 I CB 0.211 37.751 38.000 -0.766 0.000 1.410 120 I HN 0.013 nan 8.210 nan 0.000 0.523 121 R N 4.378 124.866 120.500 -0.020 0.000 2.507 121 R HA 0.545 4.885 4.340 0.001 0.000 0.230 121 R C 1.027 177.542 176.300 0.358 0.000 0.897 121 R CA 0.746 56.968 56.100 0.203 0.000 1.006 121 R CB 0.234 30.605 30.300 0.119 0.000 1.341 121 R HN 0.664 nan 8.270 nan 0.000 0.604 122 R N 0.465 121.186 120.500 0.368 0.000 2.522 122 R HA 0.640 4.980 4.340 0.001 0.000 0.283 122 R C 0.472 176.712 176.300 -0.100 0.000 1.074 122 R CA -0.125 55.985 56.100 0.017 0.000 0.925 122 R CB 0.102 30.433 30.300 0.051 0.000 1.205 122 R HN 0.183 nan 8.270 nan 0.000 0.436 123 L N 1.608 122.380 121.223 -0.751 0.000 2.127 123 L HA -0.193 4.147 4.340 0.001 0.000 0.211 123 L C 2.859 179.735 176.870 0.010 0.000 1.089 123 L CA 2.992 57.607 54.840 -0.376 0.000 0.757 123 L CB -0.307 41.433 42.059 -0.532 0.000 0.899 123 L HN 1.065 nan 8.230 nan 0.000 0.434 124 E N 0.142 120.315 120.200 -0.046 0.000 2.160 124 E HA -0.217 4.133 4.350 0.001 0.000 0.195 124 E C 1.892 178.497 176.600 0.008 0.000 0.991 124 E CA 1.508 57.914 56.400 0.010 0.000 0.810 124 E CB -0.693 28.997 29.700 -0.018 0.000 0.742 124 E HN 0.673 nan 8.360 nan 0.000 0.466 125 L N -0.078 121.121 121.223 -0.040 0.000 2.592 125 L HA 0.154 4.494 4.340 0.001 0.000 0.227 125 L C 0.252 177.015 176.870 -0.179 0.000 1.127 125 L CA -0.494 54.213 54.840 -0.222 0.000 0.884 125 L CB 0.190 41.907 42.059 -0.571 0.000 1.065 125 L HN 0.264 nan 8.230 nan 0.000 0.457 126 C N 0.729 120.084 119.300 0.091 0.000 2.415 126 C HA 0.285 4.746 4.460 0.001 0.000 0.369 126 C C 0.457 175.416 174.990 -0.052 0.000 1.279 126 C CA -0.759 58.306 59.018 0.077 0.000 1.886 126 C CB 0.427 28.213 27.740 0.077 0.000 2.468 126 C HN 0.202 nan 8.230 nan 0.000 0.553 127 D N 1.416 121.779 120.400 -0.060 0.000 2.414 127 D HA 0.354 4.995 4.640 0.001 0.000 0.232 127 D C -0.157 176.173 176.300 0.050 0.000 1.070 127 D CA -0.505 53.533 54.000 0.063 0.000 0.839 127 D CB 0.494 41.373 40.800 0.132 0.000 1.079 127 D HN 0.475 nan 8.370 nan 0.000 0.521 128 F N 1.814 121.942 119.950 0.296 0.000 2.732 128 F HA 0.126 4.653 4.527 0.000 0.000 0.303 128 F C 2.044 178.007 175.800 0.272 0.000 1.110 128 F CA -0.266 57.910 58.000 0.294 0.000 1.355 128 F CB 0.318 39.487 39.000 0.281 0.000 1.081 128 F HN 0.339 nan 8.300 nan 0.000 0.565 129 E N 1.788 122.214 120.200 0.376 0.000 2.085 129 E HA -0.156 4.194 4.350 0.001 0.000 0.194 129 E C -0.620 176.175 176.600 0.324 0.000 0.994 129 E CA 1.600 58.192 56.400 0.320 0.000 0.801 129 E CB -1.217 28.607 29.700 0.207 0.000 0.743 129 E HN 0.161 nan 8.360 nan 0.000 0.453 130 P HA -0.124 nan 4.420 nan 0.000 0.216 130 P C 1.207 178.671 177.300 0.272 0.000 1.150 130 P CA 1.281 64.547 63.100 0.276 0.000 0.837 130 P CB -0.026 31.863 31.700 0.315 0.000 0.786 131 I N -2.525 118.224 120.570 0.299 0.000 2.286 131 I HA -0.248 3.922 4.170 0.001 0.000 0.245 131 I C 2.458 178.812 176.117 0.395 0.000 1.104 131 I CA 1.258 62.714 61.300 0.261 0.000 1.397 131 I CB -0.662 37.506 38.000 0.279 0.000 1.072 131 I HN -0.094 nan 8.210 nan 0.000 0.417 132 Y N 1.850 122.307 120.300 0.262 0.000 2.114 132 Y HA -0.365 4.184 4.550 -0.000 0.000 0.282 132 Y C 2.813 178.851 175.900 0.229 0.000 1.165 132 Y CA 1.655 59.888 58.100 0.220 0.000 1.148 132 Y CB -0.002 38.536 38.460 0.130 0.000 0.972 132 Y HN 0.163 nan 8.280 nan 0.000 0.504 133 Q N -0.659 119.230 119.800 0.150 0.000 2.084 133 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 133 Q C 1.985 177.989 176.000 0.005 0.000 0.978 133 Q CA 1.907 57.714 55.803 0.007 0.000 0.844 133 Q CB -1.179 27.622 28.738 0.104 0.000 0.898 133 Q HN 0.807 nan 8.270 nan 0.000 0.426 134 W N 1.556 122.821 121.300 -0.057 0.000 2.318 134 W HA -0.301 4.359 4.660 -0.000 0.000 0.313 134 W C 2.396 178.860 176.519 -0.091 0.000 1.221 134 W CA 2.357 59.652 57.345 -0.083 0.000 1.266 134 W CB -0.636 28.738 29.460 -0.142 0.000 1.150 134 W HN 0.466 nan 8.180 nan 0.000 0.496 135 H N -0.256 118.762 119.070 -0.087 0.000 2.387 135 H HA -0.181 4.376 4.556 0.000 0.000 0.299 135 H C 2.013 177.088 175.328 -0.421 0.000 1.099 135 H CA 2.784 58.634 56.048 -0.330 0.000 1.315 135 H CB -0.621 29.125 29.762 -0.026 0.000 1.380 135 H HN 0.278 nan 8.280 nan 0.000 0.513 136 L N -0.378 120.433 121.223 -0.686 0.000 2.156 136 L HA -0.096 4.244 4.340 0.001 0.000 0.208 136 L C 2.428 179.022 176.870 -0.460 0.000 1.095 136 L CA 0.741 55.195 54.840 -0.644 0.000 0.770 136 L CB -0.223 41.533 42.059 -0.504 0.000 0.914 136 L HN 0.252 nan 8.230 nan 0.000 0.439 137 V N -0.645 119.026 119.914 -0.404 0.000 2.358 137 V HA -0.229 3.891 4.120 0.001 0.000 0.246 137 V C 2.521 178.376 176.094 -0.398 0.000 1.047 137 V CA 1.352 63.453 62.300 -0.331 0.000 1.035 137 V CB -0.418 31.251 31.823 -0.256 0.000 0.658 137 V HN 0.457 nan 8.190 nan 0.000 0.452 138 Q N 0.294 119.740 119.800 -0.591 0.000 2.119 138 Q HA -0.150 4.190 4.340 0.001 0.000 0.201 138 Q C 2.536 178.305 176.000 -0.386 0.000 0.972 138 Q CA 2.250 57.722 55.803 -0.552 0.000 0.847 138 Q CB -0.722 27.514 28.738 -0.836 0.000 0.903 138 Q HN 0.743 nan 8.270 nan 0.000 0.433 139 R N 1.144 121.382 120.500 -0.436 0.000 2.075 139 R HA -0.082 4.258 4.340 0.001 0.000 0.232 139 R C 2.174 178.333 176.300 -0.235 0.000 1.126 139 R CA 2.035 57.939 56.100 -0.327 0.000 0.963 139 R CB -1.704 28.339 30.300 -0.428 0.000 0.858 139 R HN 0.578 nan 8.270 nan 0.000 0.435 140 E N 0.474 120.527 120.200 -0.244 0.000 2.077 140 E HA -0.136 4.214 4.350 0.001 0.000 0.193 140 E C 2.530 179.046 176.600 -0.141 0.000 0.989 140 E CA 2.326 58.622 56.400 -0.173 0.000 0.800 140 E CB -1.079 28.522 29.700 -0.166 0.000 0.746 140 E HN 0.814 nan 8.360 nan 0.000 0.452 141 K N 0.983 121.288 120.400 -0.158 0.000 2.209 141 K HA -0.051 4.269 4.320 0.001 0.000 0.204 141 K C 2.148 178.688 176.600 -0.100 0.000 1.048 141 K CA 1.821 58.035 56.287 -0.122 0.000 0.940 141 K CB -0.504 31.917 32.500 -0.132 0.000 0.729 141 K HN 0.470 nan 8.250 nan 0.000 0.451 142 K N -0.519 119.814 120.400 -0.113 0.000 2.137 142 K HA 0.056 4.377 4.320 0.001 0.000 0.202 142 K C 2.143 178.703 176.600 -0.066 0.000 1.052 142 K CA 0.960 57.197 56.287 -0.082 0.000 0.961 142 K CB -0.095 32.353 32.500 -0.086 0.000 0.741 142 K HN 0.241 nan 8.250 nan 0.000 0.452 143 L N 1.323 122.499 121.223 -0.078 0.000 2.201 143 L HA -0.070 4.271 4.340 0.001 0.000 0.212 143 L C 1.468 178.306 176.870 -0.052 0.000 1.105 143 L CA 1.667 56.469 54.840 -0.063 0.000 0.775 143 L CB -0.131 41.884 42.059 -0.073 0.000 0.913 143 L HN 0.163 nan 8.230 nan 0.000 0.440 144 S N -1.304 114.362 115.700 -0.057 0.000 2.552 144 S HA 0.443 4.913 4.470 0.001 0.000 0.246 144 S C 0.741 175.319 174.600 -0.038 0.000 1.019 144 S CA -0.252 57.921 58.200 -0.046 0.000 1.045 144 S CB -0.582 62.588 63.200 -0.050 0.000 0.784 144 S HN 0.397 nan 8.310 nan 0.000 0.453 145 R N 1.166 121.645 120.500 -0.034 0.000 2.528 145 R HA 0.701 5.042 4.340 0.001 0.000 0.271 145 R C 0.661 176.950 176.300 -0.019 0.000 1.056 145 R CA -0.040 56.045 56.100 -0.025 0.000 1.117 145 R CB -0.837 29.449 30.300 -0.023 0.000 1.085 145 R HN 0.654 nan 8.270 nan 0.000 0.530 146 T N -1.417 113.128 114.554 -0.014 0.000 2.766 146 T HA 0.410 4.760 4.350 0.001 0.000 0.295 146 T C 1.802 176.497 174.700 -0.007 0.000 1.024 146 T CA 0.167 62.261 62.100 -0.010 0.000 1.018 146 T CB 0.790 69.654 68.868 -0.008 0.000 1.002 146 T HN 0.891 nan 8.240 nan 0.000 0.532 147 K N -0.098 120.299 120.400 -0.005 0.000 2.147 147 K HA 0.073 4.393 4.320 0.001 0.000 0.205 147 K C 2.480 179.080 176.600 0.001 0.000 1.049 147 K CA 1.968 58.253 56.287 -0.002 0.000 0.936 147 K CB -1.810 30.689 32.500 -0.002 0.000 0.722 147 K HN 0.933 nan 8.250 nan 0.000 0.446 148 E N 0.059 120.259 120.200 0.001 0.000 2.230 148 E HA 0.078 4.429 4.350 0.001 0.000 0.192 148 E C 2.179 178.781 176.600 0.004 0.000 0.987 148 E CA 1.275 57.677 56.400 0.003 0.000 0.841 148 E CB -0.867 28.834 29.700 0.003 0.000 0.783 148 E HN 0.852 nan 8.360 nan 0.000 0.481 149 E N 0.242 120.442 120.200 0.001 0.000 2.158 149 E HA 0.053 4.403 4.350 0.001 0.000 0.191 149 E C 2.266 178.868 176.600 0.003 0.000 0.982 149 E CA 1.672 58.073 56.400 0.001 0.000 0.823 149 E CB -0.948 28.750 29.700 -0.004 0.000 0.766 149 E HN 0.720 nan 8.360 nan 0.000 0.468 150 K N 0.022 120.424 120.400 0.002 0.000 2.459 150 K HA 0.352 4.672 4.320 0.001 0.000 0.193 150 K C 2.331 178.938 176.600 0.010 0.000 1.030 150 K CA 1.355 57.644 56.287 0.004 0.000 1.026 150 K CB -0.770 31.730 32.500 -0.000 0.000 0.809 150 K HN 0.602 nan 8.250 nan 0.000 0.504 151 K N -0.190 120.216 120.400 0.011 0.000 2.202 151 K HA 0.546 4.867 4.320 0.001 0.000 0.201 151 K C 2.512 179.123 176.600 0.019 0.000 1.051 151 K CA 1.039 57.336 56.287 0.015 0.000 0.977 151 K CB -0.570 31.938 32.500 0.013 0.000 0.792 151 K HN 0.564 nan 8.250 nan 0.000 0.469 152 A N 0.887 123.717 122.820 0.016 0.000 2.066 152 A HA 0.313 4.634 4.320 0.001 0.000 0.218 152 A C 2.601 180.198 177.584 0.023 0.000 1.157 152 A CA 1.670 53.719 52.037 0.019 0.000 0.670 152 A CB -0.813 18.196 19.000 0.015 0.000 0.804 152 A HN 0.892 nan 8.150 nan 0.000 0.453 153 I N -0.645 119.938 120.570 0.021 0.000 2.277 153 I HA 0.143 4.314 4.170 0.001 0.000 0.243 153 I C 2.704 178.841 176.117 0.032 0.000 1.094 153 I CA 2.277 63.592 61.300 0.025 0.000 1.393 153 I CB -1.840 36.171 38.000 0.019 0.000 1.078 153 I HN 0.521 nan 8.210 nan 0.000 0.417 154 K N 0.916 121.334 120.400 0.031 0.000 2.147 154 K HA -0.060 4.261 4.320 0.001 0.000 0.205 154 K C 2.241 178.868 176.600 0.045 0.000 1.049 154 K CA 2.172 58.481 56.287 0.038 0.000 0.936 154 K CB -1.623 30.897 32.500 0.033 0.000 0.722 154 K HN 1.015 nan 8.250 nan 0.000 0.446 155 E N 0.531 120.754 120.200 0.039 0.000 2.106 155 E HA -0.063 4.287 4.350 0.001 0.000 0.192 155 E C 2.404 179.032 176.600 0.047 0.000 0.984 155 E CA 1.948 58.373 56.400 0.041 0.000 0.806 155 E CB -1.076 28.643 29.700 0.033 0.000 0.750 155 E HN 0.777 nan 8.360 nan 0.000 0.458 156 K N -0.501 119.926 120.400 0.046 0.000 2.217 156 K HA 0.136 4.457 4.320 0.001 0.000 0.202 156 K C 2.444 179.083 176.600 0.066 0.000 1.051 156 K CA 1.712 58.030 56.287 0.051 0.000 0.952 156 K CB -1.011 31.516 32.500 0.044 0.000 0.736 156 K HN 0.705 nan 8.250 nan 0.000 0.453 157 Q N 0.526 120.368 119.800 0.070 0.000 2.398 157 Q HA 0.057 4.397 4.340 0.001 0.000 0.204 157 Q C 1.621 177.687 176.000 0.110 0.000 0.932 157 Q CA 1.124 56.980 55.803 0.088 0.000 0.916 157 Q CB 0.035 28.820 28.738 0.078 0.000 1.024 157 Q HN 0.703 nan 8.270 nan 0.000 0.504 158 D N -1.197 119.260 120.400 0.096 0.000 2.423 158 D HA 0.261 4.901 4.640 0.001 0.000 0.212 158 D C 2.070 178.427 176.300 0.095 0.000 1.060 158 D CA 0.956 55.019 54.000 0.105 0.000 0.872 158 D CB 0.272 41.124 40.800 0.087 0.000 1.012 158 D HN 0.475 nan 8.370 nan 0.000 0.503 159 A N 1.256 124.124 122.820 0.081 0.000 1.908 159 A HA -0.228 4.092 4.320 0.001 0.000 0.218 159 A C 2.083 179.723 177.584 0.094 0.000 1.181 159 A CA 1.886 53.966 52.037 0.073 0.000 0.627 159 A CB -0.433 18.603 19.000 0.060 0.000 0.818 159 A HN 0.235 nan 8.150 nan 0.000 0.445 160 E N -0.369 119.906 120.200 0.124 0.000 2.107 160 E HA 0.033 4.383 4.350 0.001 0.000 0.191 160 E C 1.921 178.678 176.600 0.263 0.000 0.982 160 E CA 0.960 57.465 56.400 0.174 0.000 0.809 160 E CB -0.261 29.536 29.700 0.161 0.000 0.756 160 E HN 0.490 nan 8.360 nan 0.000 0.459 161 A N 0.491 123.454 122.820 0.237 0.000 2.067 161 A HA -0.094 4.226 4.320 0.001 0.000 0.217 161 A C 1.949 179.583 177.584 0.084 0.000 1.156 161 A CA 1.240 53.439 52.037 0.271 0.000 0.683 161 A CB -0.393 18.804 19.000 0.328 0.000 0.808 161 A HN 0.291 nan 8.150 nan 0.000 0.455 162 E N 0.806 121.042 120.200 0.059 0.000 2.085 162 E HA -0.132 4.218 4.350 0.001 0.000 0.194 162 E C -0.889 175.660 176.600 -0.085 0.000 0.994 162 E CA 1.957 58.361 56.400 0.006 0.000 0.801 162 E CB -0.985 28.737 29.700 0.038 0.000 0.743 162 E HN 0.461 nan 8.360 nan 0.000 0.453 163 P HA -0.086 nan 4.420 nan 0.000 0.231 163 P C 0.025 177.004 177.300 -0.535 0.000 1.158 163 P CA 1.058 63.918 63.100 -0.400 0.000 0.763 163 P CB -0.052 31.283 31.700 -0.609 0.000 0.805 164 Y N -2.199 117.944 120.300 -0.263 0.000 2.430 164 Y HA 0.272 4.823 4.550 0.001 0.000 0.248 164 Y C 2.557 177.961 175.900 -0.827 0.000 1.108 164 Y CA 0.147 57.966 58.100 -0.468 0.000 1.264 164 Y CB -0.746 37.391 38.460 -0.538 0.000 1.172 164 Y HN -0.203 nan 8.280 nan 0.000 0.520 165 R N -0.227 119.894 120.500 -0.632 0.000 2.276 165 R HA 0.153 4.493 4.340 0.001 0.000 0.203 165 R C -0.537 175.368 176.300 -0.658 0.000 1.017 165 R CA 1.058 56.746 56.100 -0.688 0.000 1.010 165 R CB -1.248 28.770 30.300 -0.470 0.000 0.900 165 R HN 0.418 nan 8.270 nan 0.000 0.469 166 Y N -1.819 118.423 120.300 -0.096 0.000 2.545 166 Y HA 0.522 5.073 4.550 0.001 0.000 0.348 166 Y C 0.388 176.296 175.900 0.015 0.000 1.002 166 Y CA -1.341 56.750 58.100 -0.015 0.000 1.039 166 Y CB 2.076 40.528 38.460 -0.013 0.000 1.271 166 Y HN 0.325 nan 8.280 nan 0.000 0.467 167 C N -0.511 118.920 119.300 0.219 0.000 3.108 167 C HA 0.960 5.420 4.460 0.001 0.000 0.321 167 C C -1.175 173.919 174.990 0.173 0.000 1.357 167 C CA -1.036 58.089 59.018 0.178 0.000 1.562 167 C CB 1.227 29.065 27.740 0.163 0.000 2.003 167 C HN 0.572 nan 8.230 nan 0.000 0.460 168 V N 1.909 121.900 119.914 0.130 0.000 2.376 168 V HA 0.450 4.570 4.120 0.001 0.000 0.287 168 V C -0.908 175.263 176.094 0.129 0.000 1.015 168 V CA -0.140 62.234 62.300 0.122 0.000 0.834 168 V CB 1.263 33.125 31.823 0.066 0.000 1.001 168 V HN 0.901 nan 8.190 nan 0.000 0.428 169 W N 5.533 126.821 121.300 -0.020 0.000 2.318 169 W HA 0.359 5.019 4.660 0.001 0.000 0.315 169 W C 0.019 176.557 176.519 0.031 0.000 1.033 169 W CA -0.601 56.720 57.345 -0.040 0.000 1.275 169 W CB 1.202 30.638 29.460 -0.040 0.000 1.250 169 W HN 0.828 nan 8.180 nan 0.000 0.421 170 D N 4.092 124.543 120.400 0.086 0.000 2.701 170 D HA -0.182 4.458 4.640 0.001 0.000 0.235 170 D C 1.355 177.744 176.300 0.149 0.000 1.155 170 D CA 2.289 56.374 54.000 0.140 0.000 0.649 170 D CB -1.147 39.793 40.800 0.233 0.000 1.050 170 D HN 0.919 nan 8.370 nan 0.000 0.425 171 G N -2.111 106.756 108.800 0.112 0.000 2.234 171 G HA2 -0.255 3.706 3.960 0.001 0.000 0.260 171 G HA3 -0.255 3.706 3.960 0.001 0.000 0.260 171 G C 0.581 175.542 174.900 0.103 0.000 0.987 171 G CA 1.129 46.284 45.100 0.091 0.000 0.625 171 G HN 0.995 nan 8.290 nan 0.000 0.532 172 R N 0.548 121.138 120.500 0.150 0.000 2.368 172 R HA 0.817 5.158 4.340 0.001 0.000 0.302 172 R C 0.466 176.856 176.300 0.150 0.000 1.002 172 R CA 0.124 56.310 56.100 0.143 0.000 0.929 172 R CB 0.439 30.837 30.300 0.164 0.000 1.073 172 R HN 0.597 nan 8.270 nan 0.000 0.464 173 R N 1.986 122.553 120.500 0.113 0.000 2.347 173 R HA 0.141 4.481 4.340 0.001 0.000 0.304 173 R C -0.841 175.568 176.300 0.182 0.000 1.072 173 R CA 0.039 56.213 56.100 0.123 0.000 0.980 173 R CB 0.570 30.887 30.300 0.029 0.000 0.986 173 R HN 0.783 nan 8.270 nan 0.000 0.448 174 E N 3.437 123.778 120.200 0.235 0.000 2.293 174 E HA 0.118 4.468 4.350 0.001 0.000 0.270 174 E C -0.988 175.749 176.600 0.229 0.000 0.879 174 E CA -0.924 55.596 56.400 0.200 0.000 0.756 174 E CB 2.171 31.916 29.700 0.076 0.000 1.208 174 E HN 0.541 nan 8.360 nan 0.000 0.428 175 Q N 0.805 120.675 119.800 0.116 0.000 2.352 175 Q HA 0.224 4.565 4.340 0.001 0.000 0.260 175 Q C -0.442 175.521 176.000 -0.061 0.000 0.976 175 Q CA -0.144 55.569 55.803 -0.149 0.000 0.881 175 Q CB 1.057 29.710 28.738 -0.143 0.000 1.235 175 Q HN 0.224 nan 8.270 nan 0.000 0.419 176 V N 2.601 122.476 119.914 -0.065 0.000 2.481 176 V HA 0.267 4.388 4.120 0.001 0.000 0.286 176 V C 0.571 176.760 176.094 0.158 0.000 1.042 176 V CA 0.125 62.467 62.300 0.070 0.000 0.928 176 V CB 1.130 33.026 31.823 0.122 0.000 0.986 176 V HN 1.029 nan 8.190 nan 0.000 0.462 177 A N 4.102 126.983 122.820 0.102 0.000 1.844 177 A HA 0.040 4.361 4.320 0.001 0.000 0.212 177 A C 1.173 178.742 177.584 -0.026 0.000 1.221 177 A CA 0.939 53.005 52.037 0.047 0.000 0.607 177 A CB -0.174 18.832 19.000 0.010 0.000 0.878 177 A HN 0.867 nan 8.150 nan 0.000 0.451 178 N N 0.650 119.335 118.700 -0.025 0.000 2.908 178 N HA 0.172 4.912 4.740 0.001 0.000 0.316 178 N C 0.279 175.724 175.510 -0.109 0.000 1.619 178 N CA -0.273 52.698 53.050 -0.132 0.000 1.045 178 N CB -0.275 38.187 38.487 -0.041 0.000 1.357 178 N HN 0.474 nan 8.380 nan 0.000 0.501 179 F N -0.066 119.886 119.950 0.002 0.000 2.451 179 F HA 0.229 4.757 4.527 0.001 0.000 0.299 179 F C 0.653 176.387 175.800 -0.109 0.000 1.101 179 F CA -0.344 57.640 58.000 -0.026 0.000 1.436 179 F CB -0.120 38.888 39.000 0.014 0.000 1.074 179 F HN -0.135 nan 8.300 nan 0.000 0.553 180 R N 2.122 122.331 120.500 -0.484 0.000 2.242 180 R HA 0.304 4.645 4.340 0.001 0.000 0.334 180 R C -0.500 175.674 176.300 -0.209 0.000 1.071 180 R CA -0.507 55.415 56.100 -0.296 0.000 0.922 180 R CB 1.052 31.146 30.300 -0.343 0.000 1.023 180 R HN 0.054 nan 8.270 nan 0.000 0.458 181 V N 3.868 123.617 119.914 -0.275 0.000 2.617 181 V HA -0.102 4.018 4.120 0.001 0.000 0.304 181 V C 0.865 176.823 176.094 -0.227 0.000 1.040 181 V CA 0.471 62.540 62.300 -0.385 0.000 1.149 181 V CB 0.192 31.632 31.823 -0.638 0.000 0.914 181 V HN 0.695 nan 8.190 nan 0.000 0.487 182 E N 6.761 126.881 120.200 -0.134 0.000 2.480 182 E HA 0.070 4.421 4.350 0.001 0.000 0.258 182 E C -2.083 174.485 176.600 -0.053 0.000 0.984 182 E CA -1.022 55.377 56.400 -0.002 0.000 0.930 182 E CB 0.210 30.012 29.700 0.170 0.000 0.936 182 E HN 0.537 nan 8.360 nan 0.000 0.466 183 P HA 0.120 nan 4.420 nan 0.000 0.274 183 P C -2.482 174.828 177.300 0.017 0.000 1.231 183 P CA -1.429 61.671 63.100 0.000 0.000 0.790 183 P CB -0.163 31.551 31.700 0.023 0.000 0.951 184 P HA 0.304 nan 4.420 nan 0.000 0.269 184 P C 0.122 177.443 177.300 0.034 0.000 1.215 184 P CA 0.481 63.593 63.100 0.020 0.000 0.780 184 P CB 0.330 32.031 31.700 0.002 0.000 0.898 185 G N 0.413 109.238 108.800 0.041 0.000 2.451 185 G HA2 0.388 4.348 3.960 0.001 0.000 0.292 185 G HA3 0.388 4.348 3.960 0.001 0.000 0.292 185 G C -1.622 173.311 174.900 0.054 0.000 1.427 185 G CA -0.924 44.203 45.100 0.046 0.000 0.792 185 G HN 0.401 nan 8.290 nan 0.000 0.498 186 L N 1.205 122.457 121.223 0.050 0.000 2.361 186 L HA 0.302 4.642 4.340 0.001 0.000 0.278 186 L C 0.426 177.319 176.870 0.038 0.000 1.113 186 L CA -0.483 54.373 54.840 0.027 0.000 0.849 186 L CB 0.774 42.847 42.059 0.023 0.000 1.155 186 L HN 0.554 nan 8.230 nan 0.000 0.452 187 F N 4.240 124.123 119.950 -0.112 0.000 2.569 187 F HA -0.051 4.476 4.527 0.001 0.000 0.395 187 F C 0.811 176.523 175.800 -0.147 0.000 1.028 187 F CA -0.088 57.841 58.000 -0.118 0.000 1.158 187 F CB 0.228 39.146 39.000 -0.136 0.000 1.023 187 F HN 0.441 nan 8.300 nan 0.000 0.547 188 R N 5.367 125.422 120.500 -0.743 0.000 3.171 188 R HA 0.242 4.582 4.340 0.001 0.000 0.241 188 R C 0.441 176.257 176.300 -0.806 0.000 1.421 188 R CA -0.263 55.422 56.100 -0.692 0.000 1.444 188 R CB 0.435 30.549 30.300 -0.310 0.000 1.247 188 R HN 0.782 nan 8.270 nan 0.000 0.636 189 G N 1.709 109.910 108.800 -0.999 0.000 2.442 189 G HA2 0.101 4.061 3.960 0.001 0.000 0.249 189 G HA3 0.101 4.061 3.960 0.001 0.000 0.249 189 G C -0.008 174.909 174.900 0.028 0.000 1.263 189 G CA -0.649 44.081 45.100 -0.616 0.000 0.846 189 G HN 0.328 nan 8.290 nan 0.000 0.555 190 R N 1.152 121.712 120.500 0.101 0.000 2.539 190 R HA 0.465 4.805 4.340 0.001 0.000 0.275 190 R C 1.240 177.647 176.300 0.179 0.000 1.077 190 R CA 0.474 56.656 56.100 0.136 0.000 1.097 190 R CB 0.445 30.812 30.300 0.113 0.000 1.018 190 R HN 1.087 nan 8.270 nan 0.000 0.483 191 G N 1.047 109.918 108.800 0.118 0.000 2.596 191 G HA2 -0.425 3.536 3.960 0.001 0.000 0.295 191 G HA3 -0.425 3.536 3.960 0.001 0.000 0.295 191 G C -0.013 174.976 174.900 0.149 0.000 1.240 191 G CA 0.764 45.929 45.100 0.108 0.000 0.985 191 G HN 0.761 nan 8.290 nan 0.000 0.555 192 K N 0.328 120.809 120.400 0.135 0.000 2.758 192 K HA 0.433 4.753 4.320 0.001 0.000 0.250 192 K C 0.442 177.142 176.600 0.167 0.000 1.268 192 K CA 0.409 56.784 56.287 0.146 0.000 1.228 192 K CB -0.244 32.318 32.500 0.103 0.000 1.715 192 K HN 0.847 nan 8.250 nan 0.000 0.334 193 H N 2.631 121.802 119.070 0.169 0.000 2.819 193 H HA 0.124 4.680 4.556 0.001 0.000 0.303 193 H C -1.864 173.588 175.328 0.208 0.000 1.058 193 H CA -1.884 54.286 56.048 0.203 0.000 1.471 193 H CB 1.943 31.861 29.762 0.259 0.000 1.480 193 H HN 0.195 nan 8.280 nan 0.000 0.517 194 P HA -0.050 nan 4.420 nan 0.000 0.230 194 P C 0.992 178.470 177.300 0.296 0.000 1.158 194 P CA 0.842 64.082 63.100 0.234 0.000 0.769 194 P CB 0.341 32.111 31.700 0.117 0.000 0.807 195 L N -1.483 120.040 121.223 0.498 0.000 2.728 195 L HA 0.280 4.621 4.340 0.001 0.000 0.238 195 L C 1.135 178.234 176.870 0.382 0.000 1.143 195 L CA -0.422 54.609 54.840 0.319 0.000 0.937 195 L CB -0.685 41.466 42.059 0.154 0.000 1.225 195 L HN 0.012 nan 8.230 nan 0.000 0.507 196 M N -0.691 119.149 119.600 0.400 0.000 2.251 196 M HA 0.350 4.830 4.480 0.001 0.000 0.343 196 M C 1.153 177.488 176.300 0.059 0.000 1.245 196 M CA 1.324 56.790 55.300 0.276 0.000 1.061 196 M CB 0.220 33.042 32.600 0.370 0.000 1.723 196 M HN 0.155 nan 8.290 nan 0.000 0.449 197 G N 1.845 110.470 108.800 -0.291 0.000 2.268 197 G HA2 -0.279 3.681 3.960 0.001 0.000 0.240 197 G HA3 -0.279 3.681 3.960 0.001 0.000 0.240 197 G C 0.172 174.857 174.900 -0.357 0.000 1.010 197 G CA 0.366 44.858 45.100 -1.014 0.000 0.618 197 G HN 0.962 nan 8.290 nan 0.000 0.516 198 K N 0.702 121.045 120.400 -0.095 0.000 2.436 198 K HA 0.372 4.692 4.320 0.001 0.000 0.275 198 K C 0.412 177.002 176.600 -0.016 0.000 0.999 198 K CA -0.648 55.610 56.287 -0.048 0.000 0.980 198 K CB 0.317 32.794 32.500 -0.038 0.000 0.919 198 K HN 0.294 nan 8.250 nan 0.000 0.484 199 L N 4.510 125.715 121.223 -0.029 0.000 2.418 199 L HA 0.085 4.425 4.340 0.001 0.000 0.274 199 L C -0.099 176.768 176.870 -0.005 0.000 1.135 199 L CA 0.754 55.592 54.840 -0.004 0.000 0.870 199 L CB 0.355 42.408 42.059 -0.010 0.000 1.154 199 L HN 0.488 nan 8.230 nan 0.000 0.462 200 K N 5.851 126.268 120.400 0.028 0.000 2.263 200 K HA 0.299 4.619 4.320 0.001 0.000 0.282 200 K C -0.512 176.102 176.600 0.023 0.000 1.089 200 K CA -0.533 55.774 56.287 0.033 0.000 0.907 200 K CB 0.544 33.096 32.500 0.086 0.000 1.148 200 K HN 0.646 nan 8.250 nan 0.000 0.470 201 V N 1.801 121.720 119.914 0.008 0.000 3.133 201 V HA 0.304 4.425 4.120 0.001 0.000 0.305 201 V C 0.361 176.447 176.094 -0.014 0.000 1.084 201 V CA -0.801 61.495 62.300 -0.006 0.000 1.089 201 V CB 0.775 32.590 31.823 -0.015 0.000 1.073 201 V HN 0.797 nan 8.190 nan 0.000 0.477 202 R N 1.813 122.296 120.500 -0.028 0.000 2.502 202 R HA 0.276 4.616 4.340 0.001 0.000 0.292 202 R C -0.651 175.606 176.300 -0.071 0.000 0.998 202 R CA -0.210 55.863 56.100 -0.046 0.000 1.056 202 R CB 0.299 30.577 30.300 -0.038 0.000 0.939 202 R HN 0.776 nan 8.270 nan 0.000 0.411 203 V N 5.994 125.828 119.914 -0.134 0.000 2.470 203 V HA 0.031 4.151 4.120 0.001 0.000 0.276 203 V C 0.382 176.442 176.094 -0.056 0.000 1.040 203 V CA -0.029 62.156 62.300 -0.193 0.000 1.008 203 V CB 1.082 32.552 31.823 -0.588 0.000 0.990 203 V HN 0.729 nan 8.190 nan 0.000 0.477 204 Q N 6.133 125.909 119.800 -0.039 0.000 2.205 204 Q HA 0.334 4.674 4.340 0.001 0.000 0.249 204 Q C -1.616 174.419 176.000 0.059 0.000 0.948 204 Q CA -2.312 53.439 55.803 -0.088 0.000 0.895 204 Q CB 1.053 29.733 28.738 -0.096 0.000 1.249 204 Q HN 0.306 nan 8.270 nan 0.000 0.458 205 P HA -0.182 nan 4.420 nan 0.000 0.217 205 P C 0.390 177.839 177.300 0.248 0.000 1.148 205 P CA 1.381 64.560 63.100 0.132 0.000 0.834 205 P CB 0.418 31.913 31.700 -0.342 0.000 0.783 206 E N -0.971 119.307 120.200 0.130 0.000 2.409 206 E HA -0.125 4.225 4.350 0.001 0.000 0.198 206 E C 1.307 178.012 176.600 0.175 0.000 1.024 206 E CA 0.829 57.321 56.400 0.153 0.000 0.861 206 E CB -0.701 29.061 29.700 0.103 0.000 0.788 206 E HN 0.348 nan 8.360 nan 0.000 0.521 207 D N -0.519 119.991 120.400 0.183 0.000 2.327 207 D HA 0.058 4.698 4.640 0.001 0.000 0.205 207 D C 0.255 176.708 176.300 0.255 0.000 0.989 207 D CA 0.300 54.409 54.000 0.182 0.000 0.873 207 D CB 0.518 41.397 40.800 0.131 0.000 0.955 207 D HN 0.203 nan 8.370 nan 0.000 0.515 208 I N 1.213 121.983 120.570 0.332 0.000 2.331 208 I HA 0.101 4.271 4.170 0.001 0.000 0.292 208 I C 0.065 176.358 176.117 0.293 0.000 0.998 208 I CA -0.126 61.382 61.300 0.347 0.000 1.267 208 I CB 1.695 39.935 38.000 0.400 0.000 1.386 208 I HN -0.368 nan 8.210 nan 0.000 0.476 209 T N 6.810 121.483 114.554 0.199 0.000 2.767 209 T HA 0.449 4.800 4.350 0.001 0.000 0.288 209 T C 0.116 174.918 174.700 0.170 0.000 0.963 209 T CA -0.353 61.862 62.100 0.192 0.000 1.019 209 T CB 0.796 69.805 68.868 0.236 0.000 0.923 209 T HN 0.198 nan 8.240 nan 0.000 0.468 210 I N 3.883 124.451 120.570 -0.003 0.000 2.331 210 I HA 0.300 4.471 4.170 0.001 0.000 0.292 210 I C 0.316 176.445 176.117 0.021 0.000 0.998 210 I CA -0.568 60.682 61.300 -0.084 0.000 1.267 210 I CB 1.148 38.876 38.000 -0.453 0.000 1.386 210 I HN 0.578 nan 8.210 nan 0.000 0.476 211 N N 6.973 125.709 118.700 0.060 0.000 2.446 211 N HA 0.657 5.397 4.740 0.001 0.000 0.265 211 N C -1.170 174.327 175.510 -0.020 0.000 0.975 211 N CA -0.285 52.673 53.050 -0.153 0.000 0.928 211 N CB 1.424 39.517 38.487 -0.657 0.000 1.160 211 N HN 0.629 nan 8.380 nan 0.000 0.495 212 I N 0.792 121.341 120.570 -0.035 0.000 3.181 212 I HA 0.549 4.719 4.170 0.001 0.000 0.311 212 I C 0.052 176.239 176.117 0.116 0.000 1.287 212 I CA -1.126 60.136 61.300 -0.063 0.000 0.958 212 I CB 1.897 39.825 38.000 -0.120 0.000 1.294 212 I HN 0.577 nan 8.210 nan 0.000 0.467 213 G N 1.855 110.624 108.800 -0.053 0.000 2.441 213 G HA2 0.184 4.144 3.960 0.001 0.000 0.243 213 G HA3 0.184 4.144 3.960 0.001 0.000 0.243 213 G C 0.295 175.239 174.900 0.073 0.000 1.281 213 G CA -0.097 45.100 45.100 0.162 0.000 0.854 213 G HN 0.780 nan 8.290 nan 0.000 0.560 214 E N 0.326 120.461 120.200 -0.108 0.000 2.187 214 E HA -0.183 4.167 4.350 0.001 0.000 0.199 214 E C 2.465 178.932 176.600 -0.223 0.000 1.004 214 E CA 2.014 58.112 56.400 -0.502 0.000 0.813 214 E CB -0.127 29.397 29.700 -0.294 0.000 0.736 214 E HN 0.609 nan 8.360 nan 0.000 0.468 215 T N -2.711 111.797 114.554 -0.078 0.000 3.069 215 T HA 0.532 4.883 4.350 0.001 0.000 0.252 215 T C 0.713 175.397 174.700 -0.027 0.000 1.053 215 T CA -0.049 62.026 62.100 -0.041 0.000 0.964 215 T CB 0.200 69.060 68.868 -0.014 0.000 1.005 215 T HN 0.171 nan 8.240 nan 0.000 0.532 216 A N 1.179 123.980 122.820 -0.031 0.000 2.332 216 A HA 0.462 4.782 4.320 0.001 0.000 0.258 216 A C 0.217 177.784 177.584 -0.027 0.000 1.087 216 A CA -0.614 51.399 52.037 -0.040 0.000 0.802 216 A CB 0.173 19.123 19.000 -0.083 0.000 1.042 216 A HN 0.543 nan 8.150 nan 0.000 0.489 217 E N 0.685 120.866 120.200 -0.031 0.000 2.351 217 E HA 0.283 4.633 4.350 0.001 0.000 0.266 217 E C -0.780 175.806 176.600 -0.024 0.000 1.031 217 E CA -0.189 56.203 56.400 -0.013 0.000 0.911 217 E CB 0.403 30.096 29.700 -0.011 0.000 0.986 217 E HN 0.382 nan 8.360 nan 0.000 0.446 218 V N 7.534 127.464 119.914 0.028 0.000 2.508 218 V HA 0.108 4.229 4.120 0.001 0.000 0.281 218 V C -1.901 174.265 176.094 0.120 0.000 1.041 218 V CA -1.506 60.828 62.300 0.056 0.000 1.016 218 V CB 0.700 32.604 31.823 0.136 0.000 0.984 218 V HN 0.766 nan 8.190 nan 0.000 0.478 219 P HA 0.002 nan 4.420 nan 0.000 0.263 219 P C -0.484 177.117 177.300 0.502 0.000 1.175 219 P CA 0.127 63.404 63.100 0.294 0.000 0.761 219 P CB 0.187 32.075 31.700 0.314 0.000 0.794 220 V N 6.147 126.276 119.914 0.358 0.000 2.488 220 V HA 0.203 4.323 4.120 0.001 0.000 0.277 220 V C -1.521 174.671 176.094 0.164 0.000 1.046 220 V CA -1.433 61.010 62.300 0.238 0.000 0.986 220 V CB 0.383 32.285 31.823 0.131 0.000 0.989 220 V HN 0.602 nan 8.190 nan 0.000 0.475 221 P HA 0.263 nan 4.420 nan 0.000 0.272 221 P C -2.645 174.505 177.300 -0.250 0.000 1.223 221 P CA -1.483 61.252 63.100 -0.609 0.000 0.784 221 P CB -0.245 30.869 31.700 -0.976 0.000 0.923 222 P HA -0.019 nan 4.420 nan 0.000 0.266 222 P C -0.191 177.066 177.300 -0.072 0.000 1.186 222 P CA 0.423 63.437 63.100 -0.145 0.000 0.767 222 P CB 0.019 31.539 31.700 -0.300 0.000 0.820 223 A N 3.003 125.804 122.820 -0.033 0.000 2.561 223 A HA 0.368 4.689 4.320 0.001 0.000 0.251 223 A C 1.591 179.143 177.584 -0.054 0.000 1.062 223 A CA 0.845 52.860 52.037 -0.036 0.000 0.761 223 A CB -1.439 17.547 19.000 -0.023 0.000 0.986 223 A HN 0.917 nan 8.150 nan 0.000 0.510 224 G N 1.881 110.611 108.800 -0.116 0.000 2.195 224 G HA2 -0.180 3.780 3.960 0.001 0.000 0.246 224 G HA3 -0.180 3.780 3.960 0.001 0.000 0.246 224 G C 0.210 174.864 174.900 -0.412 0.000 0.984 224 G CA 0.470 45.428 45.100 -0.236 0.000 0.633 224 G HN 1.058 nan 8.290 nan 0.000 0.525 225 H N 0.334 119.295 119.070 -0.182 0.000 2.737 225 H HA 0.644 5.200 4.556 0.001 0.000 0.358 225 H C 0.215 175.393 175.328 -0.251 0.000 1.187 225 H CA 0.228 56.146 56.048 -0.217 0.000 1.221 225 H CB 1.838 31.424 29.762 -0.293 0.000 1.799 225 H HN 0.520 nan 8.280 nan 0.000 0.568 226 K N -0.050 120.294 120.400 -0.093 0.000 2.444 226 K HA 0.356 4.676 4.320 0.001 0.000 0.252 226 K C -1.129 175.404 176.600 -0.112 0.000 0.993 226 K CA -0.918 55.276 56.287 -0.155 0.000 0.847 226 K CB 1.641 34.124 32.500 -0.028 0.000 1.340 226 K HN 0.350 nan 8.250 nan 0.000 0.446 227 W N 0.155 121.526 121.300 0.119 0.000 2.093 227 W HA 0.287 4.947 4.660 0.001 0.000 0.352 227 W C 1.465 178.051 176.519 0.112 0.000 1.294 227 W CA -0.508 56.916 57.345 0.133 0.000 1.290 227 W CB 0.650 30.194 29.460 0.140 0.000 1.149 227 W HN 0.859 nan 8.180 nan 0.000 0.606 228 A N 1.767 124.829 122.820 0.405 0.000 1.902 228 A HA 0.305 4.625 4.320 0.001 0.000 0.217 228 A C 0.801 178.516 177.584 0.218 0.000 1.181 228 A CA 1.834 54.021 52.037 0.249 0.000 0.623 228 A CB -0.591 18.538 19.000 0.214 0.000 0.818 228 A HN 0.852 nan 8.150 nan 0.000 0.443 229 A N -2.770 120.196 122.820 0.244 0.000 2.590 229 A HA 0.534 4.855 4.320 0.001 0.000 0.294 229 A C -1.408 176.259 177.584 0.138 0.000 1.046 229 A CA -0.252 51.889 52.037 0.173 0.000 0.684 229 A CB 0.594 19.675 19.000 0.135 0.000 1.279 229 A HN 0.643 nan 8.150 nan 0.000 0.415 230 V N 2.380 122.336 119.914 0.070 0.000 2.483 230 V HA 0.643 4.763 4.120 0.001 0.000 0.297 230 V C -0.081 175.884 176.094 -0.215 0.000 1.027 230 V CA -0.256 62.015 62.300 -0.049 0.000 0.855 230 V CB 1.313 33.146 31.823 0.017 0.000 0.995 230 V HN 1.120 nan 8.190 nan 0.000 0.424 231 Q N 3.184 122.786 119.800 -0.331 0.000 2.552 231 Q HA 0.668 5.009 4.340 0.001 0.000 0.289 231 Q C -1.221 174.382 176.000 -0.662 0.000 1.097 231 Q CA -1.018 54.521 55.803 -0.439 0.000 0.812 231 Q CB 2.575 31.238 28.738 -0.125 0.000 1.460 231 Q HN 0.707 nan 8.270 nan 0.000 0.452 232 H N 0.356 119.441 119.070 0.024 0.000 2.597 232 H HA 0.249 4.806 4.556 0.001 0.000 0.225 232 H C -1.395 173.914 175.328 -0.030 0.000 1.422 232 H CA -0.519 55.554 56.048 0.043 0.000 1.335 232 H CB 0.526 30.332 29.762 0.073 0.000 1.783 232 H HN 0.667 nan 8.280 nan 0.000 0.513 233 D N 0.958 121.343 120.400 -0.025 0.000 2.380 233 D HA 0.060 4.700 4.640 0.001 0.000 0.230 233 D C 1.011 177.142 176.300 -0.282 0.000 1.154 233 D CA -0.114 53.817 54.000 -0.114 0.000 0.859 233 D CB 0.449 41.168 40.800 -0.135 0.000 1.045 233 D HN 0.456 nan 8.370 nan 0.000 0.495 234 H N 1.793 120.490 119.070 -0.621 0.000 2.555 234 H HA -0.025 4.531 4.556 0.001 0.000 0.269 234 H C 1.286 176.187 175.328 -0.712 0.000 0.988 234 H CA 1.035 56.322 56.048 -1.268 0.000 1.178 234 H CB 0.463 29.544 29.762 -1.135 0.000 1.373 234 H HN 0.426 nan 8.280 nan 0.000 0.588 235 T N -1.523 112.882 114.554 -0.248 0.000 3.086 235 T HA 0.176 4.526 4.350 0.001 0.000 0.250 235 T C 0.808 175.484 174.700 -0.040 0.000 1.074 235 T CA -0.072 61.957 62.100 -0.118 0.000 0.988 235 T CB -0.501 68.326 68.868 -0.069 0.000 0.988 235 T HN 0.086 nan 8.240 nan 0.000 0.530 236 V N -1.073 118.811 119.914 -0.051 0.000 3.113 236 V HA 0.828 4.948 4.120 0.001 0.000 0.316 236 V C 0.749 176.918 176.094 0.126 0.000 1.125 236 V CA -0.219 62.070 62.300 -0.018 0.000 1.026 236 V CB 1.669 33.370 31.823 -0.202 0.000 1.080 236 V HN 0.237 nan 8.190 nan 0.000 0.444 237 T N -2.035 112.623 114.554 0.174 0.000 3.084 237 T HA 0.270 4.620 4.350 0.001 0.000 0.270 237 T C 0.228 175.113 174.700 0.308 0.000 1.008 237 T CA -0.168 62.177 62.100 0.408 0.000 0.900 237 T CB -0.144 68.914 68.868 0.317 0.000 1.084 237 T HN 0.960 nan 8.240 nan 0.000 0.538 238 W N 0.914 122.290 121.300 0.127 0.000 2.448 238 W HA 0.604 5.264 4.660 0.001 0.000 0.339 238 W C -0.296 176.243 176.519 0.032 0.000 1.124 238 W CA -1.428 55.958 57.345 0.068 0.000 1.262 238 W CB 0.837 30.343 29.460 0.076 0.000 1.251 238 W HN -0.094 nan 8.180 nan 0.000 0.597 239 L N 1.628 123.007 121.223 0.259 0.000 2.515 239 L HA 0.416 4.756 4.340 0.001 0.000 0.223 239 L C 0.748 177.711 176.870 0.155 0.000 1.079 239 L CA 0.357 55.140 54.840 -0.096 0.000 0.857 239 L CB -0.250 41.443 42.059 -0.610 0.000 1.050 239 L HN 0.544 nan 8.230 nan 0.000 0.476 240 A N 0.267 123.345 122.820 0.430 0.000 2.612 240 A HA 0.753 5.074 4.320 0.001 0.000 0.293 240 A C -1.380 176.314 177.584 0.183 0.000 1.075 240 A CA -0.352 51.899 52.037 0.357 0.000 0.680 240 A CB 2.557 21.640 19.000 0.138 0.000 1.279 240 A HN -0.047 nan 8.150 nan 0.000 0.411 241 M N 1.253 120.833 119.600 -0.034 0.000 2.421 241 M HA 0.647 5.127 4.480 0.001 0.000 0.287 241 M C -2.405 173.826 176.300 -0.116 0.000 1.183 241 M CA -0.331 54.668 55.300 -0.501 0.000 0.916 241 M CB 1.892 33.820 32.600 -1.121 0.000 1.701 241 M HN 1.207 nan 8.290 nan 0.000 0.470 242 W N 3.191 124.281 121.300 -0.351 0.000 3.062 242 W HA 0.769 5.429 4.660 0.001 0.000 0.336 242 W C -1.732 174.641 176.519 -0.243 0.000 1.224 242 W CA -0.917 56.304 57.345 -0.207 0.000 1.159 242 W CB 0.860 30.261 29.460 -0.098 0.000 1.454 242 W HN 0.833 nan 8.180 nan 0.000 0.569 243 R N 2.806 123.320 120.500 0.023 0.000 2.255 243 R HA 0.131 4.472 4.340 0.001 0.000 0.326 243 R C -0.242 176.108 176.300 0.082 0.000 0.986 243 R CA -0.468 55.581 56.100 -0.084 0.000 0.847 243 R CB 0.761 31.034 30.300 -0.045 0.000 1.111 243 R HN 0.649 nan 8.270 nan 0.000 0.452 244 D N 2.580 122.959 120.400 -0.035 0.000 2.389 244 D HA -0.047 4.594 4.640 0.001 0.000 0.247 244 D C 0.528 176.838 176.300 0.017 0.000 1.128 244 D CA 0.085 54.130 54.000 0.076 0.000 0.884 244 D CB 1.437 42.229 40.800 -0.013 0.000 1.194 244 D HN 0.685 nan 8.370 nan 0.000 0.441 245 S N 2.337 118.057 115.700 0.033 0.000 2.461 245 S HA -0.095 4.375 4.470 0.001 0.000 0.228 245 S C 1.954 176.508 174.600 -0.077 0.000 1.005 245 S CA 0.430 58.621 58.200 -0.015 0.000 0.942 245 S CB -0.169 63.029 63.200 -0.002 0.000 0.776 245 S HN 0.424 nan 8.310 nan 0.000 0.514 246 V N 1.634 121.466 119.914 -0.136 0.000 2.261 246 V HA 0.012 4.132 4.120 0.001 0.000 0.246 246 V C 2.456 178.410 176.094 -0.235 0.000 1.047 246 V CA 1.908 64.049 62.300 -0.266 0.000 1.015 246 V CB -0.919 30.563 31.823 -0.570 0.000 0.642 246 V HN 0.740 nan 8.190 nan 0.000 0.446 247 A N -2.211 120.490 122.820 -0.198 0.000 2.671 247 A HA 0.535 4.855 4.320 0.001 0.000 0.265 247 A C 1.436 178.966 177.584 -0.090 0.000 1.148 247 A CA 0.802 52.760 52.037 -0.132 0.000 0.977 247 A CB 0.653 19.575 19.000 -0.131 0.000 1.242 247 A HN 1.280 nan 8.150 nan 0.000 0.591 248 G N 0.444 109.192 108.800 -0.087 0.000 2.143 248 G HA2 -0.253 3.707 3.960 0.001 0.000 0.248 248 G HA3 -0.253 3.707 3.960 0.001 0.000 0.248 248 G C -0.247 174.593 174.900 -0.100 0.000 0.991 248 G CA 0.143 45.199 45.100 -0.073 0.000 0.689 248 G HN 0.456 nan 8.290 nan 0.000 0.522 249 N N 0.412 119.040 118.700 -0.120 0.000 2.483 249 N HA 0.367 5.107 4.740 0.001 0.000 0.264 249 N C 0.957 176.310 175.510 -0.262 0.000 1.197 249 N CA 0.324 53.285 53.050 -0.148 0.000 0.927 249 N CB 0.351 38.766 38.487 -0.120 0.000 1.065 249 N HN 0.394 nan 8.380 nan 0.000 0.461 250 M N 2.392 121.807 119.600 -0.307 0.000 2.188 250 M HA 0.136 4.616 4.480 0.001 0.000 0.354 250 M C 0.375 176.192 176.300 -0.804 0.000 1.342 250 M CA 0.156 55.114 55.300 -0.570 0.000 1.117 250 M CB 0.518 32.812 32.600 -0.510 0.000 1.670 250 M HN -0.024 nan 8.290 nan 0.000 0.466 251 K N 3.618 123.299 120.400 -1.199 0.000 2.207 251 K HA 0.550 4.870 4.320 0.001 0.000 0.255 251 K C -1.467 174.260 176.600 -1.455 0.000 0.941 251 K CA -0.456 55.057 56.287 -1.290 0.000 0.825 251 K CB 1.786 33.222 32.500 -1.773 0.000 1.119 251 K HN 0.485 nan 8.250 nan 0.000 0.430 252 Y N -0.477 119.444 120.300 -0.632 0.000 2.442 252 Y HA 0.271 4.821 4.550 0.001 0.000 0.344 252 Y C 0.048 175.840 175.900 -0.180 0.000 0.976 252 Y CA -1.172 56.681 58.100 -0.413 0.000 1.040 252 Y CB 1.791 40.054 38.460 -0.328 0.000 1.228 252 Y HN 0.094 nan 8.280 nan 0.000 0.451 253 V N 5.115 125.108 119.914 0.132 0.000 2.455 253 V HA 0.321 4.441 4.120 0.001 0.000 0.273 253 V C 0.054 176.252 176.094 0.173 0.000 1.045 253 V CA 0.032 62.423 62.300 0.151 0.000 0.976 253 V CB 0.184 32.099 31.823 0.153 0.000 0.993 253 V HN 0.781 nan 8.190 nan 0.000 0.475 254 M N 4.147 123.819 119.600 0.119 0.000 2.755 254 M HA 0.574 5.054 4.480 0.001 0.000 0.298 254 M C -0.676 175.651 176.300 0.046 0.000 1.251 254 M CA -0.847 54.512 55.300 0.097 0.000 0.817 254 M CB 2.267 34.911 32.600 0.075 0.000 1.760 254 M HN 0.320 nan 8.290 nan 0.000 0.473 255 L N 1.037 122.259 121.223 -0.002 0.000 2.464 255 L HA 0.404 4.745 4.340 0.001 0.000 0.264 255 L C 0.500 177.349 176.870 -0.035 0.000 1.199 255 L CA -0.623 54.192 54.840 -0.041 0.000 0.818 255 L CB 0.509 42.478 42.059 -0.150 0.000 1.102 255 L HN 0.782 nan 8.230 nan 0.000 0.473 256 A N 2.503 125.308 122.820 -0.025 0.000 2.366 256 A HA 0.294 4.615 4.320 0.001 0.000 0.249 256 A C -1.620 175.950 177.584 -0.023 0.000 1.084 256 A CA -1.056 50.973 52.037 -0.014 0.000 0.794 256 A CB -0.165 18.833 19.000 -0.003 0.000 1.034 256 A HN 0.615 nan 8.150 nan 0.000 0.491 257 P HA -0.136 nan 4.420 nan 0.000 0.222 257 P C 1.455 178.761 177.300 0.011 0.000 1.147 257 P CA 1.770 64.868 63.100 -0.005 0.000 0.790 257 P CB -0.039 31.664 31.700 0.006 0.000 0.780 258 S N -1.234 114.480 115.700 0.023 0.000 2.507 258 S HA -0.050 4.421 4.470 0.001 0.000 0.235 258 S C 1.101 175.743 174.600 0.068 0.000 0.988 258 S CA 0.204 58.435 58.200 0.053 0.000 0.944 258 S CB -1.343 61.896 63.200 0.065 0.000 0.762 258 S HN 0.266 nan 8.310 nan 0.000 0.526 259 S N 1.771 117.477 115.700 0.011 0.000 2.593 259 S HA 0.296 4.766 4.470 0.001 0.000 0.269 259 S C 1.282 175.848 174.600 -0.057 0.000 1.334 259 S CA -0.130 58.045 58.200 -0.041 0.000 1.015 259 S CB 1.142 64.248 63.200 -0.157 0.000 0.912 259 S HN 0.509 nan 8.310 nan 0.000 0.541 260 S N 1.304 116.942 115.700 -0.104 0.000 2.406 260 S HA -0.101 4.369 4.470 0.001 0.000 0.228 260 S C 1.710 176.038 174.600 -0.454 0.000 1.020 260 S CA 0.700 58.778 58.200 -0.203 0.000 0.965 260 S CB -0.858 62.231 63.200 -0.186 0.000 0.798 260 S HN 0.761 nan 8.310 nan 0.000 0.488 261 V N 1.677 121.284 119.914 -0.512 0.000 2.515 261 V HA -0.099 4.021 4.120 0.001 0.000 0.250 261 V C 2.281 178.181 176.094 -0.322 0.000 1.058 261 V CA 1.660 63.657 62.300 -0.505 0.000 1.064 261 V CB -0.490 30.828 31.823 -0.842 0.000 0.675 261 V HN 0.359 nan 8.190 nan 0.000 0.461 262 K N 0.141 120.389 120.400 -0.253 0.000 2.076 262 K HA 0.079 4.399 4.320 0.001 0.000 0.204 262 K C 2.148 178.700 176.600 -0.080 0.000 1.051 262 K CA 1.242 57.446 56.287 -0.138 0.000 0.949 262 K CB -0.986 31.459 32.500 -0.093 0.000 0.726 262 K HN 0.555 nan 8.250 nan 0.000 0.443 263 G N 1.524 110.292 108.800 -0.053 0.000 2.418 263 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 263 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 263 G C 1.503 176.437 174.900 0.057 0.000 1.158 263 G CA 0.450 45.617 45.100 0.111 0.000 0.771 263 G HN 0.352 nan 8.290 nan 0.000 0.545 264 Q N 0.535 120.131 119.800 -0.341 0.000 2.079 264 Q HA -0.071 4.269 4.340 0.001 0.000 0.200 264 Q C 2.988 178.905 176.000 -0.139 0.000 0.974 264 Q CA 1.619 57.139 55.803 -0.471 0.000 0.840 264 Q CB -0.176 28.112 28.738 -0.751 0.000 0.898 264 Q HN 0.628 nan 8.270 nan 0.000 0.430 265 S N 0.585 116.210 115.700 -0.125 0.000 2.406 265 S HA -0.162 4.309 4.470 0.001 0.000 0.228 265 S C 1.484 176.064 174.600 -0.033 0.000 1.020 265 S CA 1.305 59.466 58.200 -0.065 0.000 0.965 265 S CB -0.110 63.048 63.200 -0.071 0.000 0.798 265 S HN 0.186 nan 8.310 nan 0.000 0.488 266 D N 1.077 121.476 120.400 -0.003 0.000 2.144 266 D HA -0.027 4.613 4.640 0.001 0.000 0.200 266 D C 1.850 178.241 176.300 0.152 0.000 0.978 266 D CA 1.085 55.109 54.000 0.041 0.000 0.833 266 D CB -0.280 40.584 40.800 0.107 0.000 0.961 266 D HN 0.433 nan 8.370 nan 0.000 0.470 267 M N -0.361 119.370 119.600 0.218 0.000 2.193 267 M HA -0.111 4.369 4.480 0.001 0.000 0.265 267 M C 1.862 178.287 176.300 0.208 0.000 1.071 267 M CA 0.788 56.266 55.300 0.295 0.000 1.140 267 M CB 0.060 32.878 32.600 0.362 0.000 1.369 267 M HN -0.122 nan 8.290 nan 0.000 0.423 268 V N 1.297 121.284 119.914 0.123 0.000 2.332 268 V HA -0.326 3.795 4.120 0.001 0.000 0.248 268 V C 2.400 178.512 176.094 0.029 0.000 1.055 268 V CA 2.188 64.532 62.300 0.073 0.000 1.038 268 V CB -0.897 30.948 31.823 0.036 0.000 0.651 268 V HN 0.545 nan 8.190 nan 0.000 0.450 269 K N -0.365 120.011 120.400 -0.040 0.000 2.032 269 K HA -0.223 4.098 4.320 0.001 0.000 0.209 269 K C 2.090 178.586 176.600 -0.173 0.000 1.048 269 K CA 2.165 58.356 56.287 -0.159 0.000 0.927 269 K CB -0.347 31.970 32.500 -0.305 0.000 0.712 269 K HN 0.450 nan 8.250 nan 0.000 0.441 270 F N 1.418 121.392 119.950 0.041 0.000 2.259 270 F HA -0.076 4.451 4.527 0.001 0.000 0.298 270 F C 2.445 178.271 175.800 0.043 0.000 1.088 270 F CA 0.564 58.589 58.000 0.042 0.000 1.358 270 F CB 0.092 39.117 39.000 0.042 0.000 1.040 270 F HN 0.079 nan 8.300 nan 0.000 0.505 271 E N 1.031 121.354 120.200 0.206 0.000 2.150 271 E HA -0.174 4.177 4.350 0.001 0.000 0.193 271 E C 1.992 178.642 176.600 0.083 0.000 0.985 271 E CA 1.081 57.562 56.400 0.135 0.000 0.814 271 E CB -0.325 29.445 29.700 0.118 0.000 0.752 271 E HN 0.574 nan 8.360 nan 0.000 0.466 272 K N 0.555 120.985 120.400 0.049 0.000 2.155 272 K HA 0.111 4.431 4.320 0.001 0.000 0.203 272 K C 2.233 178.831 176.600 -0.003 0.000 1.052 272 K CA 1.069 57.362 56.287 0.009 0.000 0.948 272 K CB -0.179 32.312 32.500 -0.016 0.000 0.728 272 K HN -0.017 nan 8.250 nan 0.000 0.448 273 A N 2.430 125.274 122.820 0.041 0.000 1.902 273 A HA -0.141 4.180 4.320 0.001 0.000 0.217 273 A C 2.196 179.862 177.584 0.136 0.000 1.181 273 A CA 1.299 53.389 52.037 0.089 0.000 0.623 273 A CB -0.463 18.644 19.000 0.179 0.000 0.818 273 A HN 0.297 nan 8.150 nan 0.000 0.443 274 R N -0.623 119.957 120.500 0.133 0.000 2.096 274 R HA -0.099 4.241 4.340 0.001 0.000 0.235 274 R C 2.560 178.896 176.300 0.059 0.000 1.127 274 R CA 1.748 57.918 56.100 0.115 0.000 0.968 274 R CB -0.353 30.010 30.300 0.106 0.000 0.861 274 R HN 0.550 nan 8.270 nan 0.000 0.440 275 K N 0.987 121.401 120.400 0.023 0.000 2.155 275 K HA -0.033 4.287 4.320 0.001 0.000 0.203 275 K C 1.875 178.430 176.600 -0.075 0.000 1.052 275 K CA 1.166 57.446 56.287 -0.012 0.000 0.948 275 K CB -0.674 31.822 32.500 -0.007 0.000 0.728 275 K HN 0.089 nan 8.250 nan 0.000 0.448 276 L N 1.028 122.165 121.223 -0.143 0.000 2.083 276 L HA -0.020 4.320 4.340 0.001 0.000 0.209 276 L C 2.457 179.102 176.870 -0.375 0.000 1.083 276 L CA 2.309 56.950 54.840 -0.332 0.000 0.752 276 L CB -0.409 41.320 42.059 -0.550 0.000 0.899 276 L HN 0.453 nan 8.230 nan 0.000 0.433 277 K N -0.642 119.643 120.400 -0.191 0.000 2.127 277 K HA -0.240 4.081 4.320 0.001 0.000 0.208 277 K C 1.391 177.972 176.600 -0.032 0.000 1.047 277 K CA 2.032 58.319 56.287 -0.000 0.000 0.927 277 K CB -0.198 32.437 32.500 0.226 0.000 0.716 277 K HN 0.484 nan 8.250 nan 0.000 0.450 278 D N -0.582 119.793 120.400 -0.042 0.000 2.323 278 D HA -0.053 4.587 4.640 0.001 0.000 0.209 278 D C 1.783 178.047 176.300 -0.059 0.000 0.973 278 D CA 1.047 55.030 54.000 -0.029 0.000 0.874 278 D CB 0.357 41.153 40.800 -0.007 0.000 0.930 278 D HN 0.330 nan 8.370 nan 0.000 0.521 279 K N 0.636 120.969 120.400 -0.112 0.000 2.367 279 K HA 0.181 4.501 4.320 0.001 0.000 0.194 279 K C 1.965 178.457 176.600 -0.180 0.000 1.027 279 K CA -0.005 56.211 56.287 -0.118 0.000 1.075 279 K CB -0.630 31.808 32.500 -0.103 0.000 0.845 279 K HN -0.042 nan 8.250 nan 0.000 0.529 280 V N 2.290 122.077 119.914 -0.213 0.000 2.255 280 V HA -0.312 3.809 4.120 0.001 0.000 0.247 280 V C 1.923 177.934 176.094 -0.138 0.000 1.051 280 V CA 2.579 64.754 62.300 -0.209 0.000 1.018 280 V CB -0.349 31.317 31.823 -0.263 0.000 0.641 280 V HN 0.632 nan 8.190 nan 0.000 0.445 281 D N -0.019 120.323 120.400 -0.096 0.000 2.133 281 D HA -0.175 4.465 4.640 0.001 0.000 0.195 281 D C 1.739 177.962 176.300 -0.128 0.000 0.997 281 D CA 1.672 55.621 54.000 -0.085 0.000 0.840 281 D CB -0.342 40.432 40.800 -0.043 0.000 0.947 281 D HN 0.591 nan 8.370 nan 0.000 0.452 282 D N -0.723 119.603 120.400 -0.125 0.000 2.269 282 D HA -0.009 4.631 4.640 0.001 0.000 0.208 282 D C 1.850 178.020 176.300 -0.216 0.000 0.963 282 D CA 0.334 54.269 54.000 -0.108 0.000 0.864 282 D CB 0.060 40.840 40.800 -0.033 0.000 0.936 282 D HN 0.271 nan 8.370 nan 0.000 0.505 283 I N 0.242 120.577 120.570 -0.392 0.000 2.480 283 I HA -0.085 4.086 4.170 0.001 0.000 0.251 283 I C 2.169 177.969 176.117 -0.528 0.000 1.124 283 I CA 0.649 61.536 61.300 -0.688 0.000 1.444 283 I CB 0.079 37.712 38.000 -0.611 0.000 1.098 283 I HN -0.127 nan 8.210 nan 0.000 0.428 284 R N 0.618 120.787 120.500 -0.552 0.000 2.115 284 R HA -0.041 4.299 4.340 0.001 0.000 0.230 284 R C 2.351 178.181 176.300 -0.783 0.000 1.111 284 R CA 1.305 56.806 56.100 -0.998 0.000 0.976 284 R CB -0.370 29.647 30.300 -0.471 0.000 0.870 284 R HN 0.312 nan 8.270 nan 0.000 0.445 285 A N 0.226 122.808 122.820 -0.396 0.000 1.968 285 A HA -0.119 4.201 4.320 0.001 0.000 0.217 285 A C 2.160 179.618 177.584 -0.211 0.000 1.169 285 A CA 1.494 53.386 52.037 -0.241 0.000 0.638 285 A CB -0.410 18.515 19.000 -0.126 0.000 0.812 285 A HN 0.258 nan 8.150 nan 0.000 0.446 286 S N -0.763 114.832 115.700 -0.175 0.000 2.345 286 S HA -0.177 4.294 4.470 0.001 0.000 0.220 286 S C 2.040 176.618 174.600 -0.036 0.000 1.031 286 S CA 1.793 59.994 58.200 0.001 0.000 0.996 286 S CB -0.559 62.801 63.200 0.267 0.000 0.882 286 S HN 0.846 nan 8.310 nan 0.000 0.445 287 Y N 0.125 120.343 120.300 -0.136 0.000 2.373 287 Y HA 0.268 4.819 4.550 0.001 0.000 0.293 287 Y C 2.048 177.461 175.900 -0.811 0.000 1.129 287 Y CA 0.708 58.604 58.100 -0.340 0.000 1.226 287 Y CB -0.822 37.468 38.460 -0.285 0.000 1.000 287 Y HN 0.184 nan 8.280 nan 0.000 0.549 288 M N 0.917 120.132 119.600 -0.643 0.000 2.296 288 M HA -0.098 4.383 4.480 0.001 0.000 0.265 288 M C 2.388 178.533 176.300 -0.259 0.000 1.064 288 M CA 1.961 56.903 55.300 -0.597 0.000 1.109 288 M CB -0.329 32.120 32.600 -0.252 0.000 1.396 288 M HN 0.613 nan 8.290 nan 0.000 0.430 289 E N 0.358 120.454 120.200 -0.173 0.000 2.152 289 E HA -0.178 4.172 4.350 0.001 0.000 0.192 289 E C 1.394 177.976 176.600 -0.031 0.000 0.983 289 E CA 1.528 57.894 56.400 -0.056 0.000 0.818 289 E CB -0.685 28.998 29.700 -0.028 0.000 0.758 289 E HN 0.523 nan 8.360 nan 0.000 0.467 290 D N -0.440 119.911 120.400 -0.081 0.000 2.269 290 D HA -0.028 4.613 4.640 0.001 0.000 0.208 290 D C 1.436 177.787 176.300 0.085 0.000 0.963 290 D CA 0.319 54.306 54.000 -0.023 0.000 0.864 290 D CB -0.303 40.471 40.800 -0.044 0.000 0.936 290 D HN 0.401 nan 8.370 nan 0.000 0.505 291 F N 1.490 121.469 119.950 0.048 0.000 2.192 291 F HA -0.137 4.390 4.527 0.001 0.000 0.301 291 F C 2.612 178.416 175.800 0.006 0.000 1.079 291 F CA 1.034 59.042 58.000 0.013 0.000 1.303 291 F CB -1.088 37.908 39.000 -0.006 0.000 1.024 291 F HN 0.060 nan 8.300 nan 0.000 0.494 292 K N -0.147 120.370 120.400 0.194 0.000 2.417 292 K HA 0.244 4.564 4.320 0.001 0.000 0.196 292 K C 0.954 177.604 176.600 0.082 0.000 1.023 292 K CA 0.572 56.927 56.287 0.113 0.000 1.122 292 K CB -0.782 31.769 32.500 0.085 0.000 0.850 292 K HN 0.169 nan 8.250 nan 0.000 0.521 293 S N 1.958 117.711 115.700 0.088 0.000 2.572 293 S HA 0.009 4.479 4.470 0.001 0.000 0.279 293 S C 1.109 175.750 174.600 0.068 0.000 1.341 293 S CA 0.020 58.258 58.200 0.065 0.000 1.043 293 S CB 0.369 63.601 63.200 0.053 0.000 0.887 293 S HN 0.699 nan 8.310 nan 0.000 0.516 294 N N 2.643 121.375 118.700 0.054 0.000 2.299 294 N HA -0.032 4.708 4.740 0.001 0.000 0.187 294 N C -0.326 175.217 175.510 0.056 0.000 1.099 294 N CA -0.176 52.906 53.050 0.053 0.000 0.867 294 N CB -0.114 38.397 38.487 0.040 0.000 0.974 294 N HN 0.559 nan 8.380 nan 0.000 0.477 295 D N 1.384 121.816 120.400 0.054 0.000 2.317 295 D HA 0.009 4.650 4.640 0.001 0.000 0.252 295 D C 1.064 177.406 176.300 0.070 0.000 1.174 295 D CA -0.453 53.581 54.000 0.056 0.000 0.866 295 D CB 1.442 42.271 40.800 0.049 0.000 1.127 295 D HN -0.016 nan 8.370 nan 0.000 0.467 296 L N 5.566 126.834 121.223 0.076 0.000 2.056 296 L HA -0.138 4.203 4.340 0.001 0.000 0.207 296 L C 2.093 178.989 176.870 0.044 0.000 1.078 296 L CA 1.870 56.756 54.840 0.077 0.000 0.749 296 L CB -0.889 41.205 42.059 0.057 0.000 0.901 296 L HN 0.658 nan 8.230 nan 0.000 0.433 297 H N -1.284 117.769 119.070 -0.029 0.000 2.319 297 H HA -0.155 4.401 4.556 0.001 0.000 0.299 297 H C 2.013 177.305 175.328 -0.059 0.000 1.092 297 H CA 2.418 58.432 56.048 -0.056 0.000 1.302 297 H CB -0.406 29.324 29.762 -0.054 0.000 1.373 297 H HN 0.176 nan 8.280 nan 0.000 0.497 298 V N 0.757 120.547 119.914 -0.206 0.000 2.295 298 V HA -0.244 3.877 4.120 0.001 0.000 0.246 298 V C 2.800 178.813 176.094 -0.134 0.000 1.049 298 V CA 1.747 63.898 62.300 -0.247 0.000 1.024 298 V CB -1.359 30.405 31.823 -0.097 0.000 0.648 298 V HN 0.709 nan 8.190 nan 0.000 0.447 299 A N -0.953 121.878 122.820 0.017 0.000 1.902 299 A HA -0.263 4.058 4.320 0.001 0.000 0.217 299 A C 2.201 179.938 177.584 0.255 0.000 1.181 299 A CA 1.839 53.989 52.037 0.189 0.000 0.623 299 A CB -0.446 18.728 19.000 0.290 0.000 0.818 299 A HN 0.618 nan 8.150 nan 0.000 0.443 300 Q N -1.051 118.790 119.800 0.069 0.000 2.050 300 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 300 Q C 2.397 178.216 176.000 -0.302 0.000 0.980 300 Q CA 1.498 57.237 55.803 -0.107 0.000 0.840 300 Q CB -0.219 28.367 28.738 -0.253 0.000 0.898 300 Q HN 0.671 nan 8.270 nan 0.000 0.424 301 R N 0.361 120.643 120.500 -0.364 0.000 2.119 301 R HA -0.224 4.116 4.340 0.001 0.000 0.246 301 R C 2.142 178.274 176.300 -0.279 0.000 1.146 301 R CA 1.451 57.314 56.100 -0.394 0.000 0.962 301 R CB -0.265 29.720 30.300 -0.525 0.000 0.863 301 R HN 0.266 nan 8.270 nan 0.000 0.442 302 A N -0.113 122.617 122.820 -0.150 0.000 1.877 302 A HA -0.106 4.214 4.320 0.001 0.000 0.216 302 A C 2.239 179.815 177.584 -0.015 0.000 1.186 302 A CA 1.640 53.640 52.037 -0.062 0.000 0.620 302 A CB -0.466 18.571 19.000 0.062 0.000 0.822 302 A HN 0.233 nan 8.150 nan 0.000 0.443 303 V N -0.217 119.725 119.914 0.046 0.000 2.427 303 V HA -0.184 3.936 4.120 0.001 0.000 0.248 303 V C 2.984 178.762 176.094 -0.527 0.000 1.051 303 V CA 1.728 63.937 62.300 -0.151 0.000 1.048 303 V CB -1.171 30.663 31.823 0.019 0.000 0.666 303 V HN 0.610 nan 8.190 nan 0.000 0.456 304 A N 1.211 123.641 122.820 -0.651 0.000 1.873 304 A HA -0.214 4.107 4.320 0.001 0.000 0.215 304 A C 2.293 179.641 177.584 -0.393 0.000 1.186 304 A CA 2.161 53.804 52.037 -0.656 0.000 0.616 304 A CB -0.462 18.045 19.000 -0.821 0.000 0.823 304 A HN 0.628 nan 8.150 nan 0.000 0.442 305 M N -2.328 117.021 119.600 -0.419 0.000 2.296 305 M HA -0.055 4.425 4.480 0.001 0.000 0.265 305 M C 2.177 178.082 176.300 -0.657 0.000 1.064 305 M CA 2.010 57.018 55.300 -0.488 0.000 1.109 305 M CB -0.766 31.618 32.600 -0.359 0.000 1.396 305 M HN 0.364 nan 8.290 nan 0.000 0.430 306 Y N 1.531 121.313 120.300 -0.864 0.000 2.145 306 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 306 Y C 1.796 177.636 175.900 -0.101 0.000 1.145 306 Y CA 1.807 59.540 58.100 -0.613 0.000 1.148 306 Y CB -0.397 37.886 38.460 -0.296 0.000 0.981 306 Y HN 0.090 nan 8.280 nan 0.000 0.507 307 F N 0.150 120.009 119.950 -0.152 0.000 2.102 307 F HA -0.201 4.326 4.527 0.001 0.000 0.298 307 F C 2.394 178.043 175.800 -0.253 0.000 1.105 307 F CA 1.112 59.010 58.000 -0.169 0.000 1.239 307 F CB -1.264 37.746 39.000 0.017 0.000 0.991 307 F HN 0.093 nan 8.300 nan 0.000 0.474 308 I N -0.239 120.278 120.570 -0.089 0.000 2.226 308 I HA -0.281 3.890 4.170 0.001 0.000 0.245 308 I C 2.339 178.311 176.117 -0.242 0.000 1.100 308 I CA 1.673 62.858 61.300 -0.192 0.000 1.374 308 I CB -0.409 37.414 38.000 -0.295 0.000 1.057 308 I HN 0.062 nan 8.210 nan 0.000 0.413 309 D N 1.066 121.233 120.400 -0.389 0.000 2.078 309 D HA -0.184 4.457 4.640 0.001 0.000 0.193 309 D C 2.262 178.567 176.300 0.007 0.000 0.990 309 D CA 1.601 55.501 54.000 -0.166 0.000 0.827 309 D CB 0.064 40.795 40.800 -0.115 0.000 0.975 309 D HN -0.014 nan 8.370 nan 0.000 0.451 310 R N -0.307 120.114 120.500 -0.131 0.000 2.127 310 R HA 0.183 4.523 4.340 0.001 0.000 0.217 310 R C 2.064 178.318 176.300 -0.076 0.000 1.074 310 R CA 0.389 56.420 56.100 -0.115 0.000 0.991 310 R CB -0.552 29.555 30.300 -0.321 0.000 0.895 310 R HN 0.352 nan 8.270 nan 0.000 0.450 311 L N -0.160 121.001 121.223 -0.104 0.000 2.693 311 L HA 0.363 4.703 4.340 0.001 0.000 0.235 311 L C 0.449 177.279 176.870 -0.067 0.000 1.127 311 L CA 0.080 54.859 54.840 -0.102 0.000 0.914 311 L CB 0.049 41.966 42.059 -0.236 0.000 1.193 311 L HN 0.038 nan 8.230 nan 0.000 0.502 312 A N 1.222 124.024 122.820 -0.029 0.000 2.745 312 A HA -0.210 4.111 4.320 0.001 0.000 0.296 312 A C 0.424 177.990 177.584 -0.030 0.000 1.500 312 A CA 0.514 52.556 52.037 0.010 0.000 0.766 312 A CB -2.382 16.640 19.000 0.036 0.000 1.030 312 A HN 0.351 nan 8.150 nan 0.000 0.489 313 L N -0.495 120.678 121.223 -0.083 0.000 2.439 313 L HA 0.245 4.586 4.340 0.001 0.000 0.269 313 L C 1.389 178.239 176.870 -0.034 0.000 1.179 313 L CA -0.283 54.496 54.840 -0.102 0.000 0.828 313 L CB 0.299 42.267 42.059 -0.153 0.000 1.106 313 L HN 0.518 nan 8.230 nan 0.000 0.467 314 R N 0.825 121.317 120.500 -0.013 0.000 2.694 314 R HA 0.032 4.372 4.340 0.001 0.000 0.268 314 R C 1.020 177.315 176.300 -0.009 0.000 1.061 314 R CA -0.442 55.665 56.100 0.011 0.000 1.133 314 R CB 0.735 31.055 30.300 0.033 0.000 1.020 314 R HN 0.466 nan 8.270 nan 0.000 0.475 315 V N 1.786 121.702 119.914 0.003 0.000 2.490 315 V HA -0.061 4.059 4.120 0.001 0.000 0.250 315 V C 0.859 176.949 176.094 -0.006 0.000 1.061 315 V CA 2.289 64.585 62.300 -0.006 0.000 1.064 315 V CB -0.712 31.116 31.823 0.010 0.000 0.670 315 V HN 1.152 nan 8.190 nan 0.000 0.461 316 G N 1.497 110.296 108.800 -0.001 0.000 2.623 316 G HA2 -0.216 3.744 3.960 0.001 0.000 0.281 316 G HA3 -0.216 3.744 3.960 0.001 0.000 0.281 316 G C -0.214 174.692 174.900 0.010 0.000 1.087 316 G CA 0.193 45.290 45.100 -0.005 0.000 1.244 316 G HN 0.536 nan 8.290 nan 0.000 0.544 317 N N 0.368 119.078 118.700 0.017 0.000 2.453 317 N HA 0.134 4.874 4.740 0.001 0.000 0.253 317 N C 0.630 176.152 175.510 0.020 0.000 1.252 317 N CA 0.004 53.066 53.050 0.020 0.000 0.917 317 N CB 0.836 39.337 38.487 0.023 0.000 1.117 317 N HN 0.700 nan 8.380 nan 0.000 0.442 318 E N 1.333 121.546 120.200 0.020 0.000 2.413 318 E HA -0.022 4.329 4.350 0.001 0.000 0.263 318 E C -0.560 176.051 176.600 0.018 0.000 1.015 318 E CA 0.385 56.797 56.400 0.019 0.000 0.916 318 E CB 0.593 30.304 29.700 0.017 0.000 0.947 318 E HN 0.261 nan 8.360 nan 0.000 0.440 319 K N 1.760 122.170 120.400 0.018 0.000 2.156 319 K HA 0.392 4.713 4.320 0.001 0.000 0.254 319 K C 0.113 176.718 176.600 0.008 0.000 0.950 319 K CA -0.804 55.492 56.287 0.015 0.000 0.849 319 K CB 1.783 34.291 32.500 0.014 0.000 1.100 319 K HN 0.581 nan 8.250 nan 0.000 0.434 320 G N 0.302 109.105 108.800 0.005 0.000 2.634 320 G HA2 0.207 4.167 3.960 0.001 0.000 0.255 320 G HA3 0.207 4.167 3.960 0.001 0.000 0.255 320 G C 0.863 175.760 174.900 -0.005 0.000 1.205 320 G CA -0.009 45.092 45.100 0.001 0.000 0.884 320 G HN 0.739 nan 8.290 nan 0.000 0.549 321 E N -0.757 119.442 120.200 -0.002 0.000 2.347 321 E HA -0.020 4.330 4.350 0.001 0.000 0.196 321 E C 1.269 177.866 176.600 -0.004 0.000 1.008 321 E CA 1.294 57.694 56.400 -0.000 0.000 0.852 321 E CB -0.134 29.569 29.700 0.005 0.000 0.783 321 E HN 0.441 nan 8.360 nan 0.000 0.505 322 D N 0.217 120.614 120.400 -0.004 0.000 2.491 322 D HA 0.206 4.846 4.640 0.001 0.000 0.228 322 D C -0.335 175.940 176.300 -0.041 0.000 1.183 322 D CA 0.053 54.057 54.000 0.008 0.000 0.827 322 D CB 0.310 41.126 40.800 0.026 0.000 0.989 322 D HN 0.584 nan 8.370 nan 0.000 0.494 323 E N -0.185 119.935 120.200 -0.133 0.000 2.359 323 E HA 0.670 5.020 4.350 0.001 0.000 0.266 323 E C -0.575 175.833 176.600 -0.320 0.000 0.920 323 E CA -1.092 55.115 56.400 -0.321 0.000 0.788 323 E CB 2.082 31.717 29.700 -0.108 0.000 1.279 323 E HN -0.007 nan 8.360 nan 0.000 0.438 324 A N 1.142 123.728 122.820 -0.391 0.000 2.425 324 A HA 0.065 4.385 4.320 0.001 0.000 0.242 324 A C -0.177 177.388 177.584 -0.032 0.000 1.077 324 A CA -0.049 51.912 52.037 -0.126 0.000 0.781 324 A CB 0.169 19.159 19.000 -0.015 0.000 1.020 324 A HN 0.568 nan 8.150 nan 0.000 0.494 325 D N 1.350 121.760 120.400 0.016 0.000 2.422 325 D HA 0.397 5.037 4.640 0.001 0.000 0.227 325 D C 0.122 176.464 176.300 0.069 0.000 1.190 325 D CA 0.481 54.508 54.000 0.045 0.000 0.905 325 D CB -0.004 40.833 40.800 0.062 0.000 1.034 325 D HN 0.635 nan 8.370 nan 0.000 0.507 326 T N 0.016 114.605 114.554 0.059 0.000 2.896 326 T HA 0.708 5.058 4.350 0.001 0.000 0.297 326 T C -0.194 174.525 174.700 0.031 0.000 1.108 326 T CA -0.804 61.335 62.100 0.066 0.000 1.004 326 T CB 1.452 70.369 68.868 0.082 0.000 1.159 326 T HN 0.231 nan 8.240 nan 0.000 0.499 327 V N -1.488 118.420 119.914 -0.008 0.000 3.078 327 V HA 1.054 5.174 4.120 0.001 0.000 0.311 327 V C 0.095 176.094 176.094 -0.158 0.000 1.138 327 V CA -0.253 61.978 62.300 -0.116 0.000 1.007 327 V CB 1.391 33.054 31.823 -0.267 0.000 1.045 327 V HN 1.431 nan 8.190 nan 0.000 0.432 328 G N -0.961 107.738 108.800 -0.168 0.000 3.243 328 G HA2 0.419 4.380 3.960 0.001 0.000 0.248 328 G HA3 0.419 4.380 3.960 0.001 0.000 0.248 328 G C 0.645 175.432 174.900 -0.188 0.000 1.267 328 G CA 0.188 45.178 45.100 -0.183 0.000 0.906 328 G HN 1.153 nan 8.290 nan 0.000 0.592 329 C N -0.511 118.738 119.300 -0.086 0.000 2.386 329 C HA -0.148 4.312 4.460 0.001 0.000 0.279 329 C C 3.036 178.131 174.990 0.176 0.000 1.208 329 C CA 1.861 60.906 59.018 0.045 0.000 1.747 329 C CB -1.112 26.650 27.740 0.036 0.000 2.046 329 C HN 0.591 nan 8.230 nan 0.000 0.453 330 C N 1.435 120.789 119.300 0.090 0.000 2.437 330 C HA 0.002 4.463 4.460 0.001 0.000 0.283 330 C C 2.560 177.657 174.990 0.178 0.000 1.424 330 C CA 1.412 60.514 59.018 0.140 0.000 1.782 330 C CB -1.699 26.062 27.740 0.035 0.000 1.833 330 C HN 0.891 nan 8.230 nan 0.000 0.532 331 S N -0.717 115.039 115.700 0.094 0.000 2.554 331 S HA 0.325 4.795 4.470 0.001 0.000 0.226 331 S C 0.159 174.786 174.600 0.044 0.000 0.980 331 S CA -0.292 57.941 58.200 0.056 0.000 0.939 331 S CB -0.475 62.739 63.200 0.023 0.000 0.832 331 S HN 0.532 nan 8.310 nan 0.000 0.486 332 L N 2.534 123.780 121.223 0.038 0.000 2.525 332 L HA 0.217 4.557 4.340 0.001 0.000 0.278 332 L C 0.903 177.814 176.870 0.068 0.000 1.218 332 L CA 0.195 55.067 54.840 0.053 0.000 0.878 332 L CB 0.220 42.283 42.059 0.006 0.000 1.127 332 L HN 0.217 nan 8.230 nan 0.000 0.492 333 R N 1.737 122.340 120.500 0.171 0.000 2.828 333 R HA 0.328 4.668 4.340 0.001 0.000 0.264 333 R C 0.989 177.174 176.300 -0.192 0.000 1.022 333 R CA -0.981 55.052 56.100 -0.113 0.000 1.021 333 R CB 1.432 31.594 30.300 -0.231 0.000 1.163 333 R HN 0.347 nan 8.270 nan 0.000 0.494 334 V N 1.717 121.523 119.914 -0.181 0.000 2.317 334 V HA -0.321 3.799 4.120 0.001 0.000 0.251 334 V C 2.226 178.222 176.094 -0.164 0.000 1.065 334 V CA 2.416 64.624 62.300 -0.154 0.000 1.049 334 V CB -0.833 30.918 31.823 -0.120 0.000 0.651 334 V HN 0.880 nan 8.190 nan 0.000 0.450 335 E N -0.280 119.781 120.200 -0.233 0.000 2.331 335 E HA -0.277 4.074 4.350 0.001 0.000 0.199 335 E C 1.675 178.188 176.600 -0.145 0.000 1.008 335 E CA 1.961 58.233 56.400 -0.213 0.000 0.843 335 E CB -0.504 29.042 29.700 -0.256 0.000 0.761 335 E HN 0.823 nan 8.360 nan 0.000 0.507 336 H N 0.776 119.851 119.070 0.009 0.000 2.562 336 H HA 0.255 4.811 4.556 0.001 0.000 0.267 336 H C 0.952 176.306 175.328 0.043 0.000 0.959 336 H CA 0.286 56.386 56.048 0.087 0.000 1.204 336 H CB 0.313 30.130 29.762 0.092 0.000 1.430 336 H HN 0.282 nan 8.280 nan 0.000 0.545 337 I N -1.542 119.025 120.570 -0.004 0.000 2.740 337 I HA 0.440 4.610 4.170 0.001 0.000 0.303 337 I C -1.071 174.969 176.117 -0.130 0.000 1.044 337 I CA -1.179 60.013 61.300 -0.180 0.000 1.064 337 I CB 2.465 40.241 38.000 -0.373 0.000 1.249 337 I HN -0.116 nan 8.210 nan 0.000 0.433 338 Q N 4.109 123.829 119.800 -0.134 0.000 2.274 338 Q HA 0.435 4.776 4.340 0.001 0.000 0.268 338 Q C -1.984 173.972 176.000 -0.072 0.000 1.015 338 Q CA -0.871 54.886 55.803 -0.078 0.000 0.775 338 Q CB 2.246 30.968 28.738 -0.027 0.000 1.256 338 Q HN 0.688 nan 8.270 nan 0.000 0.442 339 L N 4.702 125.880 121.223 -0.075 0.000 2.283 339 L HA 0.331 4.671 4.340 0.001 0.000 0.287 339 L C -0.141 176.797 176.870 0.113 0.000 1.073 339 L CA 0.468 55.289 54.840 -0.032 0.000 0.822 339 L CB 0.685 42.617 42.059 -0.211 0.000 1.186 339 L HN 0.698 nan 8.230 nan 0.000 0.436 340 M N 4.806 124.525 119.600 0.198 0.000 2.613 340 M HA 0.437 4.918 4.480 0.001 0.000 0.301 340 M C -1.116 175.264 176.300 0.133 0.000 1.205 340 M CA -2.255 53.127 55.300 0.137 0.000 0.950 340 M CB 0.026 32.683 32.600 0.095 0.000 1.585 340 M HN 0.124 nan 8.290 nan 0.000 0.490 341 P HA -0.158 nan 4.420 nan 0.000 0.214 341 P C -0.196 177.042 177.300 -0.103 0.000 1.169 341 P CA 1.550 64.645 63.100 -0.009 0.000 0.908 341 P CB 0.135 31.831 31.700 -0.007 0.000 0.791 342 D N -0.136 120.206 120.400 -0.096 0.000 2.973 342 D HA 0.084 4.725 4.640 0.001 0.000 0.263 342 D C -0.105 176.072 176.300 -0.205 0.000 1.266 342 D CA -0.152 53.763 54.000 -0.143 0.000 0.975 342 D CB -0.713 40.044 40.800 -0.071 0.000 1.032 342 D HN 0.019 nan 8.370 nan 0.000 0.510 343 N N 0.457 118.866 118.700 -0.486 0.000 2.714 343 N HA -0.200 4.541 4.740 0.001 0.000 0.250 343 N C -0.310 175.173 175.510 -0.044 0.000 1.117 343 N CA 0.631 53.336 53.050 -0.575 0.000 0.719 343 N CB -1.306 36.999 38.487 -0.303 0.000 1.081 343 N HN 0.524 nan 8.380 nan 0.000 0.557 344 I N 0.683 121.287 120.570 0.057 0.000 2.331 344 I HA 0.222 4.392 4.170 0.001 0.000 0.292 344 I C 0.364 176.641 176.117 0.267 0.000 0.998 344 I CA -0.773 60.629 61.300 0.169 0.000 1.267 344 I CB 1.451 39.508 38.000 0.096 0.000 1.386 344 I HN -0.262 nan 8.210 nan 0.000 0.476 345 V N 6.919 126.976 119.914 0.240 0.000 2.370 345 V HA 0.365 4.485 4.120 0.001 0.000 0.279 345 V C 0.255 176.400 176.094 0.084 0.000 1.029 345 V CA -0.764 61.591 62.300 0.093 0.000 0.870 345 V CB 1.295 33.110 31.823 -0.014 0.000 0.984 345 V HN 0.654 nan 8.190 nan 0.000 0.451 346 R N 4.298 124.806 120.500 0.012 0.000 2.196 346 R HA 0.420 4.760 4.340 0.001 0.000 0.340 346 R C -1.124 175.177 176.300 0.002 0.000 1.043 346 R CA -0.356 55.783 56.100 0.065 0.000 0.883 346 R CB 0.255 30.585 30.300 0.051 0.000 1.078 346 R HN 0.559 nan 8.270 nan 0.000 0.462 347 F N 2.756 122.789 119.950 0.138 0.000 2.410 347 F HA 0.206 4.733 4.527 0.001 0.000 0.348 347 F C 0.430 176.348 175.800 0.197 0.000 1.106 347 F CA -0.022 58.124 58.000 0.243 0.000 1.163 347 F CB 1.236 40.472 39.000 0.393 0.000 1.129 347 F HN 0.450 nan 8.300 nan 0.000 0.516 348 D N 4.863 125.504 120.400 0.401 0.000 2.478 348 D HA 0.337 4.977 4.640 0.001 0.000 0.240 348 D C -1.465 175.035 176.300 0.333 0.000 1.364 348 D CA -0.246 53.894 54.000 0.232 0.000 0.987 348 D CB 0.704 41.592 40.800 0.147 0.000 1.328 348 D HN 0.251 nan 8.370 nan 0.000 0.584 349 F N 1.145 121.186 119.950 0.152 0.000 2.693 349 F HA 0.554 5.081 4.527 0.001 0.000 0.309 349 F C -1.973 173.829 175.800 0.004 0.000 1.129 349 F CA -1.272 56.722 58.000 -0.009 0.000 0.948 349 F CB 0.896 39.691 39.000 -0.342 0.000 1.315 349 F HN 0.019 nan 8.300 nan 0.000 0.447 350 L N 2.693 124.041 121.223 0.209 0.000 2.276 350 L HA 0.700 5.040 4.340 0.001 0.000 0.286 350 L C 0.663 177.703 176.870 0.284 0.000 1.061 350 L CA -0.307 54.624 54.840 0.152 0.000 0.807 350 L CB 0.819 42.947 42.059 0.115 0.000 1.177 350 L HN 1.028 nan 8.230 nan 0.000 0.429 351 G N 2.206 111.146 108.800 0.233 0.000 2.736 351 G HA2 0.251 4.211 3.960 0.001 0.000 0.229 351 G HA3 0.251 4.211 3.960 0.001 0.000 0.229 351 G C -0.655 174.333 174.900 0.147 0.000 1.380 351 G CA -0.746 44.511 45.100 0.261 0.000 1.040 351 G HN 0.578 nan 8.290 nan 0.000 0.568 352 K N 0.236 120.713 120.400 0.128 0.000 2.543 352 K HA -0.045 4.275 4.320 0.001 0.000 0.279 352 K C -0.167 176.491 176.600 0.097 0.000 1.001 352 K CA 1.081 57.430 56.287 0.103 0.000 1.088 352 K CB 0.008 32.566 32.500 0.096 0.000 0.863 352 K HN 0.537 nan 8.250 nan 0.000 0.488 353 D N 2.042 122.498 120.400 0.093 0.000 3.028 353 D HA -0.178 4.463 4.640 0.001 0.000 0.207 353 D C -0.628 175.719 176.300 0.078 0.000 1.100 353 D CA 1.371 55.422 54.000 0.084 0.000 0.995 353 D CB -1.136 39.705 40.800 0.068 0.000 1.108 353 D HN 0.747 nan 8.370 nan 0.000 0.421 354 S N -1.346 114.405 115.700 0.084 0.000 3.586 354 S HA -0.224 4.246 4.470 0.001 0.000 0.309 354 S C 0.404 175.036 174.600 0.053 0.000 1.195 354 S CA 0.616 58.862 58.200 0.076 0.000 0.895 354 S CB -0.770 62.476 63.200 0.077 0.000 0.983 354 S HN 0.435 nan 8.310 nan 0.000 0.563 355 I N 1.869 122.470 120.570 0.052 0.000 2.416 355 I HA 0.231 4.402 4.170 0.001 0.000 0.288 355 I C 1.073 177.189 176.117 -0.001 0.000 1.051 355 I CA 0.067 61.383 61.300 0.026 0.000 1.375 355 I CB 0.559 38.584 38.000 0.041 0.000 1.407 355 I HN 0.262 nan 8.210 nan 0.000 0.516 356 R N 5.670 126.148 120.500 -0.037 0.000 2.389 356 R HA 0.096 4.437 4.340 0.001 0.000 0.295 356 R C -1.385 174.812 176.300 -0.170 0.000 1.075 356 R CA -0.267 55.778 56.100 -0.092 0.000 1.005 356 R CB 0.491 30.749 30.300 -0.069 0.000 0.987 356 R HN 0.513 nan 8.270 nan 0.000 0.452 357 Y N 3.589 123.577 120.300 -0.521 0.000 2.342 357 Y HA 0.235 4.785 4.550 0.001 0.000 0.338 357 Y C -0.994 174.618 175.900 -0.480 0.000 0.965 357 Y CA -0.309 57.409 58.100 -0.637 0.000 1.159 357 Y CB 1.298 39.028 38.460 -1.218 0.000 1.157 357 Y HN 0.551 nan 8.280 nan 0.000 0.486 358 Q N 5.099 124.574 119.800 -0.541 0.000 2.310 358 Q HA 0.373 4.714 4.340 0.001 0.000 0.270 358 Q C -1.550 174.211 176.000 -0.399 0.000 1.025 358 Q CA -0.921 54.705 55.803 -0.296 0.000 0.772 358 Q CB 1.813 30.443 28.738 -0.180 0.000 1.253 358 Q HN 0.638 nan 8.270 nan 0.000 0.450 359 N N 1.568 120.172 118.700 -0.161 0.000 2.452 359 N HA 0.198 4.938 4.740 0.001 0.000 0.277 359 N C -2.124 173.472 175.510 0.144 0.000 1.078 359 N CA -0.448 52.545 53.050 -0.095 0.000 0.947 359 N CB 1.727 40.073 38.487 -0.235 0.000 1.655 359 N HN 0.350 nan 8.380 nan 0.000 0.490 360 D N 1.153 121.608 120.400 0.091 0.000 2.274 360 D HA 0.378 5.019 4.640 0.001 0.000 0.239 360 D C -0.516 175.876 176.300 0.154 0.000 1.104 360 D CA 0.035 54.117 54.000 0.136 0.000 0.840 360 D CB 1.462 42.308 40.800 0.078 0.000 1.100 360 D HN 0.112 nan 8.370 nan 0.000 0.477 361 V N 1.578 121.634 119.914 0.237 0.000 2.483 361 V HA 0.600 4.720 4.120 0.001 0.000 0.297 361 V C 0.106 176.343 176.094 0.239 0.000 1.027 361 V CA -1.180 61.265 62.300 0.241 0.000 0.855 361 V CB 1.734 33.759 31.823 0.337 0.000 0.995 361 V HN 0.644 nan 8.190 nan 0.000 0.424 362 A N 5.183 128.113 122.820 0.183 0.000 2.350 362 A HA 0.678 4.998 4.320 0.001 0.000 0.293 362 A C 0.008 177.730 177.584 0.229 0.000 1.231 362 A CA -0.252 51.884 52.037 0.166 0.000 0.883 362 A CB 0.325 19.389 19.000 0.106 0.000 1.133 362 A HN 1.292 nan 8.150 nan 0.000 0.533 363 V N 1.880 121.953 119.914 0.265 0.000 2.975 363 V HA 0.636 4.756 4.120 0.001 0.000 0.318 363 V C 0.321 176.528 176.094 0.189 0.000 1.077 363 V CA -1.292 61.212 62.300 0.339 0.000 1.000 363 V CB 0.963 33.046 31.823 0.433 0.000 1.066 363 V HN 0.704 nan 8.190 nan 0.000 0.452 364 L N 3.041 124.349 121.223 0.142 0.000 2.593 364 L HA 0.106 4.447 4.340 0.001 0.000 0.287 364 L C -0.958 175.886 176.870 -0.043 0.000 1.243 364 L CA -0.783 54.064 54.840 0.011 0.000 0.890 364 L CB 0.304 42.311 42.059 -0.088 0.000 1.134 364 L HN 0.576 nan 8.230 nan 0.000 0.502 365 P HA -0.173 nan 4.420 nan 0.000 0.218 365 P C 1.225 178.485 177.300 -0.068 0.000 1.148 365 P CA 1.802 64.877 63.100 -0.041 0.000 0.822 365 P CB 0.126 31.799 31.700 -0.047 0.000 0.784 366 E N -0.040 120.074 120.200 -0.144 0.000 2.204 366 E HA -0.072 4.278 4.350 0.001 0.000 0.194 366 E C 2.136 178.459 176.600 -0.462 0.000 0.989 366 E CA 1.232 57.490 56.400 -0.237 0.000 0.824 366 E CB -1.456 28.134 29.700 -0.183 0.000 0.756 366 E HN 0.114 nan 8.360 nan 0.000 0.477 367 V N -0.754 118.819 119.914 -0.569 0.000 2.446 367 V HA -0.094 4.026 4.120 0.001 0.000 0.244 367 V C 2.329 178.240 176.094 -0.305 0.000 1.039 367 V CA 1.413 63.316 62.300 -0.662 0.000 1.045 367 V CB -0.441 30.886 31.823 -0.826 0.000 0.681 367 V HN 0.718 nan 8.190 nan 0.000 0.459 368 Y N 1.544 121.699 120.300 -0.242 0.000 2.181 368 Y HA -0.221 4.329 4.550 0.001 0.000 0.288 368 Y C 2.357 178.147 175.900 -0.184 0.000 1.146 368 Y CA 1.609 59.624 58.100 -0.142 0.000 1.164 368 Y CB -0.383 38.031 38.460 -0.077 0.000 0.982 368 Y HN 0.170 nan 8.280 nan 0.000 0.515 369 A N 0.042 122.851 122.820 -0.019 0.000 1.898 369 A HA -0.126 4.194 4.320 0.001 0.000 0.216 369 A C 2.293 179.702 177.584 -0.291 0.000 1.181 369 A CA 1.582 53.557 52.037 -0.105 0.000 0.620 369 A CB -1.072 17.889 19.000 -0.066 0.000 0.819 369 A HN 0.542 nan 8.150 nan 0.000 0.442 370 L N -0.546 120.419 121.223 -0.429 0.000 2.042 370 L HA -0.207 4.133 4.340 0.001 0.000 0.210 370 L C 2.548 178.772 176.870 -1.076 0.000 1.076 370 L CA 1.224 55.602 54.840 -0.771 0.000 0.749 370 L CB -0.510 41.075 42.059 -0.790 0.000 0.893 370 L HN 0.392 nan 8.230 nan 0.000 0.432 371 L N -0.862 119.952 121.223 -0.682 0.000 2.127 371 L HA -0.257 4.083 4.340 0.001 0.000 0.211 371 L C 2.662 179.321 176.870 -0.352 0.000 1.089 371 L CA 1.244 55.819 54.840 -0.440 0.000 0.757 371 L CB -0.464 41.415 42.059 -0.300 0.000 0.899 371 L HN 0.387 nan 8.230 nan 0.000 0.434 372 Q N -0.564 119.010 119.800 -0.377 0.000 2.079 372 Q HA -0.223 4.118 4.340 0.001 0.000 0.200 372 Q C 2.310 178.210 176.000 -0.167 0.000 0.974 372 Q CA 1.256 56.908 55.803 -0.252 0.000 0.840 372 Q CB -0.135 28.482 28.738 -0.202 0.000 0.898 372 Q HN 0.378 nan 8.270 nan 0.000 0.430 373 R N 0.012 120.386 120.500 -0.210 0.000 2.081 373 R HA -0.131 4.209 4.340 0.001 0.000 0.235 373 R C 1.682 178.028 176.300 0.077 0.000 1.131 373 R CA 1.255 57.298 56.100 -0.096 0.000 0.960 373 R CB -0.003 30.210 30.300 -0.145 0.000 0.856 373 R HN 0.176 nan 8.270 nan 0.000 0.436 374 F N -0.168 119.725 119.950 -0.095 0.000 2.604 374 F HA -0.025 4.502 4.527 0.001 0.000 0.298 374 F C 2.079 177.800 175.800 -0.132 0.000 1.131 374 F CA 1.330 59.264 58.000 -0.110 0.000 1.457 374 F CB -0.413 38.497 39.000 -0.151 0.000 1.095 374 F HN 0.183 nan 8.300 nan 0.000 0.574 375 T N -3.447 111.131 114.554 0.041 0.000 3.004 375 T HA 0.119 4.470 4.350 0.001 0.000 0.266 375 T C 1.783 176.461 174.700 -0.037 0.000 0.986 375 T CA -0.080 62.002 62.100 -0.030 0.000 0.902 375 T CB -0.010 68.810 68.868 -0.080 0.000 1.118 375 T HN 0.275 nan 8.240 nan 0.000 0.522 376 R N 2.183 122.667 120.500 -0.027 0.000 2.094 376 R HA -0.013 4.328 4.340 0.001 0.000 0.239 376 R C 2.211 178.495 176.300 -0.027 0.000 1.137 376 R CA 1.846 57.926 56.100 -0.033 0.000 0.943 376 R CB -0.797 29.486 30.300 -0.028 0.000 0.850 376 R HN 0.387 nan 8.270 nan 0.000 0.433 377 R N 1.802 122.291 120.500 -0.019 0.000 2.546 377 R HA 0.282 4.622 4.340 0.001 0.000 0.320 377 R C -0.098 176.189 176.300 -0.023 0.000 1.021 377 R CA -0.150 55.939 56.100 -0.019 0.000 1.088 377 R CB -0.259 30.033 30.300 -0.012 0.000 1.278 377 R HN 0.288 nan 8.270 nan 0.000 0.557 378 K N 1.430 121.813 120.400 -0.030 0.000 2.143 378 K HA 0.327 4.648 4.320 0.001 0.000 0.272 378 K C 0.103 176.677 176.600 -0.042 0.000 1.001 378 K CA -0.046 56.219 56.287 -0.036 0.000 0.915 378 K CB 1.658 34.131 32.500 -0.044 0.000 1.047 378 K HN 0.447 nan 8.250 nan 0.000 0.458 379 S N 1.747 117.423 115.700 -0.041 0.000 2.614 379 S HA 0.139 4.609 4.470 0.001 0.000 0.265 379 S C -1.900 172.664 174.600 -0.060 0.000 1.303 379 S CA -1.164 57.010 58.200 -0.043 0.000 1.000 379 S CB 0.822 64.001 63.200 -0.034 0.000 0.935 379 S HN 0.344 nan 8.310 nan 0.000 0.551 380 P HA 0.029 nan 4.420 nan 0.000 0.216 380 P C 1.387 178.617 177.300 -0.117 0.000 1.150 380 P CA 1.407 64.452 63.100 -0.091 0.000 0.837 380 P CB -0.396 31.259 31.700 -0.076 0.000 0.786 381 G N -1.959 106.789 108.800 -0.086 0.000 3.026 381 G HA2 0.053 4.014 3.960 0.001 0.000 0.208 381 G HA3 0.053 4.014 3.960 0.001 0.000 0.208 381 G C 0.481 175.338 174.900 -0.072 0.000 1.169 381 G CA -0.026 45.025 45.100 -0.082 0.000 0.788 381 G HN 0.223 nan 8.290 nan 0.000 0.533 382 M N 0.970 120.525 119.600 -0.076 0.000 2.342 382 M HA 0.250 4.730 4.480 0.001 0.000 0.332 382 M C -0.649 175.602 176.300 -0.081 0.000 1.166 382 M CA -0.773 54.488 55.300 -0.065 0.000 1.086 382 M CB 1.178 33.743 32.600 -0.058 0.000 1.541 382 M HN -0.126 nan 8.290 nan 0.000 0.462 383 D N 1.755 122.115 120.400 -0.067 0.000 2.389 383 D HA 0.114 4.754 4.640 0.001 0.000 0.247 383 D C 0.947 177.162 176.300 -0.142 0.000 1.128 383 D CA 0.161 54.114 54.000 -0.078 0.000 0.884 383 D CB 0.930 41.706 40.800 -0.039 0.000 1.194 383 D HN 0.463 nan 8.370 nan 0.000 0.441 384 I N 0.678 121.104 120.570 -0.239 0.000 2.202 384 I HA -0.200 3.970 4.170 0.001 0.000 0.242 384 I C 0.890 176.666 176.117 -0.568 0.000 1.091 384 I CA 0.914 61.951 61.300 -0.438 0.000 1.368 384 I CB -0.042 37.543 38.000 -0.691 0.000 1.058 384 I HN 0.220 nan 8.210 nan 0.000 0.410 385 F N 2.239 122.117 119.950 -0.121 0.000 2.611 385 F HA 0.091 4.619 4.527 0.001 0.000 0.321 385 F C 1.523 177.243 175.800 -0.133 0.000 1.208 385 F CA -1.205 56.678 58.000 -0.195 0.000 1.249 385 F CB -0.788 38.130 39.000 -0.136 0.000 1.514 385 F HN 0.161 nan 8.300 nan 0.000 0.561 386 D N -0.606 119.777 120.400 -0.029 0.000 2.309 386 D HA -0.177 4.463 4.640 0.001 0.000 0.212 386 D C 0.912 177.213 176.300 0.001 0.000 0.968 386 D CA 1.022 55.011 54.000 -0.017 0.000 0.882 386 D CB 0.197 40.971 40.800 -0.044 0.000 0.918 386 D HN 0.303 nan 8.370 nan 0.000 0.503 387 Q N -0.055 119.749 119.800 0.007 0.000 2.188 387 Q HA 0.274 4.614 4.340 0.001 0.000 0.212 387 Q C -0.263 175.820 176.000 0.139 0.000 0.846 387 Q CA -0.276 55.550 55.803 0.039 0.000 0.989 387 Q CB 0.946 29.701 28.738 0.028 0.000 1.114 387 Q HN 0.292 nan 8.270 nan 0.000 0.488 388 L N 1.838 123.129 121.223 0.113 0.000 2.406 388 L HA 0.422 4.763 4.340 0.001 0.000 0.272 388 L C -1.140 175.772 176.870 0.070 0.000 0.980 388 L CA -0.511 54.404 54.840 0.124 0.000 0.831 388 L CB 1.526 43.580 42.059 -0.009 0.000 1.253 388 L HN 0.026 nan 8.230 nan 0.000 0.406 389 N N 3.578 122.315 118.700 0.061 0.000 2.402 389 N HA 0.688 5.429 4.740 0.001 0.000 0.294 389 N C -2.558 172.970 175.510 0.030 0.000 1.203 389 N CA -2.023 51.048 53.050 0.036 0.000 0.838 389 N CB 1.089 39.589 38.487 0.021 0.000 1.306 389 N HN 0.221 nan 8.380 nan 0.000 0.510 390 P HA -0.100 nan 4.420 nan 0.000 0.216 390 P C 0.887 178.208 177.300 0.034 0.000 1.150 390 P CA 1.592 64.705 63.100 0.022 0.000 0.837 390 P CB 0.077 31.789 31.700 0.021 0.000 0.786 391 T N -0.424 114.150 114.554 0.032 0.000 2.684 391 T HA -0.220 4.131 4.350 0.001 0.000 0.267 391 T C 1.816 176.546 174.700 0.051 0.000 1.036 391 T CA 1.496 63.617 62.100 0.035 0.000 1.148 391 T CB -0.652 68.228 68.868 0.021 0.000 0.863 391 T HN 0.322 nan 8.240 nan 0.000 0.436 392 Q N 0.119 119.955 119.800 0.060 0.000 2.079 392 Q HA 0.026 4.367 4.340 0.001 0.000 0.200 392 Q C 2.396 178.478 176.000 0.136 0.000 0.974 392 Q CA 1.023 56.888 55.803 0.103 0.000 0.840 392 Q CB -0.330 28.499 28.738 0.151 0.000 0.898 392 Q HN 0.402 nan 8.270 nan 0.000 0.430 393 L N 1.066 122.348 121.223 0.098 0.000 2.017 393 L HA -0.198 4.142 4.340 0.001 0.000 0.208 393 L C 1.797 178.743 176.870 0.126 0.000 1.073 393 L CA 1.304 56.195 54.840 0.085 0.000 0.745 393 L CB -0.155 41.908 42.059 0.007 0.000 0.894 393 L HN 0.196 nan 8.230 nan 0.000 0.432 394 N N -0.253 118.505 118.700 0.097 0.000 2.331 394 N HA -0.153 4.588 4.740 0.001 0.000 0.180 394 N C 1.356 176.926 175.510 0.099 0.000 1.019 394 N CA 1.229 54.339 53.050 0.099 0.000 0.881 394 N CB -0.297 38.233 38.487 0.072 0.000 0.972 394 N HN 0.404 nan 8.380 nan 0.000 0.435 395 D N -0.165 120.293 120.400 0.096 0.000 2.097 395 D HA -0.134 4.506 4.640 0.001 0.000 0.197 395 D C 1.816 178.178 176.300 0.104 0.000 0.984 395 D CA 0.991 55.041 54.000 0.083 0.000 0.826 395 D CB -0.438 40.403 40.800 0.069 0.000 0.973 395 D HN 0.364 nan 8.370 nan 0.000 0.460 396 H N 0.651 119.749 119.070 0.046 0.000 2.352 396 H HA -0.023 4.533 4.556 0.001 0.000 0.299 396 H C 2.116 177.482 175.328 0.064 0.000 1.097 396 H CA 1.234 57.301 56.048 0.031 0.000 1.311 396 H CB -0.449 29.353 29.762 0.067 0.000 1.377 396 H HN 0.062 nan 8.280 nan 0.000 0.504 397 L N -0.029 121.268 121.223 0.122 0.000 2.131 397 L HA -0.175 4.165 4.340 0.001 0.000 0.210 397 L C 2.273 179.222 176.870 0.132 0.000 1.092 397 L CA 1.107 56.082 54.840 0.225 0.000 0.759 397 L CB -0.329 41.882 42.059 0.253 0.000 0.903 397 L HN 0.213 nan 8.230 nan 0.000 0.435 398 K N 0.071 120.496 120.400 0.041 0.000 2.360 398 K HA -0.122 4.198 4.320 0.001 0.000 0.201 398 K C 2.229 178.786 176.600 -0.071 0.000 1.046 398 K CA 1.483 57.773 56.287 0.004 0.000 0.940 398 K CB -0.485 32.016 32.500 0.003 0.000 0.748 398 K HN 0.451 nan 8.250 nan 0.000 0.465 399 S N -0.412 115.159 115.700 -0.215 0.000 2.453 399 S HA -0.022 4.449 4.470 0.001 0.000 0.231 399 S C 1.865 176.218 174.600 -0.411 0.000 1.005 399 S CA 0.384 58.366 58.200 -0.363 0.000 0.949 399 S CB -0.355 62.514 63.200 -0.552 0.000 0.774 399 S HN 0.242 nan 8.310 nan 0.000 0.510 400 F N 0.960 120.843 119.950 -0.112 0.000 2.446 400 F HA 0.518 5.045 4.527 0.001 0.000 0.292 400 F C 1.027 176.790 175.800 -0.061 0.000 1.096 400 F CA -0.007 57.942 58.000 -0.085 0.000 1.438 400 F CB 0.271 39.222 39.000 -0.082 0.000 1.107 400 F HN 0.230 nan 8.300 nan 0.000 0.546 401 M N -0.090 119.582 119.600 0.120 0.000 2.389 401 M HA 0.206 4.686 4.480 0.001 0.000 0.291 401 M C -2.099 174.220 176.300 0.032 0.000 1.128 401 M CA -0.705 54.630 55.300 0.058 0.000 0.942 401 M CB 1.413 34.037 32.600 0.040 0.000 1.783 401 M HN -0.284 nan 8.290 nan 0.000 0.501 402 D N 2.599 123.008 120.400 0.016 0.000 2.424 402 D HA 0.411 5.051 4.640 0.001 0.000 0.244 402 D C 1.221 177.527 176.300 0.011 0.000 1.134 402 D CA 1.791 55.797 54.000 0.011 0.000 0.881 402 D CB 1.092 41.896 40.800 0.007 0.000 1.191 402 D HN 0.955 nan 8.370 nan 0.000 0.445 403 G N 1.272 110.080 108.800 0.013 0.000 2.184 403 G HA2 -0.304 3.656 3.960 0.001 0.000 0.264 403 G HA3 -0.304 3.656 3.960 0.001 0.000 0.264 403 G C 0.328 175.237 174.900 0.015 0.000 0.975 403 G CA 0.257 45.364 45.100 0.012 0.000 0.642 403 G HN 0.487 nan 8.290 nan 0.000 0.536 404 L N 2.269 123.507 121.223 0.024 0.000 2.410 404 L HA 0.623 4.964 4.340 0.001 0.000 0.273 404 L C 0.637 177.554 176.870 0.079 0.000 1.152 404 L CA 0.779 55.639 54.840 0.033 0.000 0.855 404 L CB 1.028 43.113 42.059 0.044 0.000 1.129 404 L HN 0.891 nan 8.230 nan 0.000 0.463 405 S N 3.041 118.797 115.700 0.093 0.000 2.671 405 S HA 0.739 5.209 4.470 0.001 0.000 0.277 405 S C 0.557 175.273 174.600 0.193 0.000 1.165 405 S CA -0.334 57.940 58.200 0.123 0.000 0.822 405 S CB 1.014 64.259 63.200 0.074 0.000 1.150 405 S HN 0.800 nan 8.310 nan 0.000 0.479 406 A N 1.222 124.148 122.820 0.177 0.000 2.019 406 A HA -0.051 4.269 4.320 0.001 0.000 0.219 406 A C 2.023 179.740 177.584 0.221 0.000 1.164 406 A CA 1.721 53.885 52.037 0.211 0.000 0.644 406 A CB -0.993 18.054 19.000 0.078 0.000 0.805 406 A HN 0.946 nan 8.150 nan 0.000 0.449 407 K N -0.381 120.101 120.400 0.137 0.000 2.217 407 K HA 0.005 4.325 4.320 0.001 0.000 0.202 407 K C 1.359 178.024 176.600 0.109 0.000 1.051 407 K CA 1.363 57.712 56.287 0.103 0.000 0.952 407 K CB -0.461 32.072 32.500 0.055 0.000 0.736 407 K HN 0.163 nan 8.250 nan 0.000 0.453 408 V N 1.025 120.999 119.914 0.100 0.000 2.490 408 V HA -0.184 3.937 4.120 0.001 0.000 0.250 408 V C 1.899 178.018 176.094 0.042 0.000 1.061 408 V CA 1.521 63.833 62.300 0.020 0.000 1.064 408 V CB -0.763 31.019 31.823 -0.068 0.000 0.670 408 V HN 0.214 nan 8.190 nan 0.000 0.461 409 F N 0.108 120.100 119.950 0.070 0.000 2.269 409 F HA -0.101 4.427 4.527 0.001 0.000 0.301 409 F C 2.553 178.456 175.800 0.171 0.000 1.082 409 F CA 1.597 59.675 58.000 0.130 0.000 1.360 409 F CB -0.276 38.765 39.000 0.068 0.000 1.041 409 F HN -0.027 nan 8.300 nan 0.000 0.512 410 R N -0.336 120.326 120.500 0.269 0.000 2.075 410 R HA -0.082 4.258 4.340 0.001 0.000 0.226 410 R C 2.124 178.501 176.300 0.129 0.000 1.114 410 R CA 1.677 57.877 56.100 0.166 0.000 0.972 410 R CB -0.411 29.960 30.300 0.119 0.000 0.869 410 R HN 0.132 nan 8.270 nan 0.000 0.437 411 T N 0.293 114.918 114.554 0.118 0.000 2.684 411 T HA -0.231 4.119 4.350 0.001 0.000 0.267 411 T C 1.411 176.203 174.700 0.153 0.000 1.036 411 T CA 1.690 63.859 62.100 0.115 0.000 1.148 411 T CB -0.533 68.352 68.868 0.027 0.000 0.863 411 T HN 0.374 nan 8.240 nan 0.000 0.436 412 Y N 2.702 123.023 120.300 0.034 0.000 2.128 412 Y HA -0.184 4.366 4.550 0.001 0.000 0.284 412 Y C 2.295 178.218 175.900 0.039 0.000 1.154 412 Y CA 1.362 59.471 58.100 0.015 0.000 1.149 412 Y CB -0.577 37.834 38.460 -0.082 0.000 0.976 412 Y HN 0.089 nan 8.280 nan 0.000 0.505 413 N N 0.477 119.137 118.700 -0.067 0.000 2.166 413 N HA -0.163 4.577 4.740 0.001 0.000 0.186 413 N C 1.943 177.357 175.510 -0.159 0.000 1.019 413 N CA 1.407 54.363 53.050 -0.156 0.000 0.856 413 N CB -0.514 38.006 38.487 0.055 0.000 0.993 413 N HN 0.563 nan 8.380 nan 0.000 0.426 414 A N 0.259 123.034 122.820 -0.074 0.000 1.897 414 A HA -0.017 4.303 4.320 0.001 0.000 0.215 414 A C 2.537 180.054 177.584 -0.112 0.000 1.181 414 A CA 1.419 53.413 52.037 -0.072 0.000 0.620 414 A CB -0.527 18.476 19.000 0.006 0.000 0.821 414 A HN 0.216 nan 8.150 nan 0.000 0.443 415 S N -0.656 114.994 115.700 -0.085 0.000 2.371 415 S HA -0.058 4.412 4.470 0.001 0.000 0.224 415 S C 1.780 176.278 174.600 -0.170 0.000 1.029 415 S CA 1.131 59.274 58.200 -0.095 0.000 0.978 415 S CB -0.297 62.906 63.200 0.005 0.000 0.833 415 S HN 0.435 nan 8.310 nan 0.000 0.466 416 I N 1.857 122.262 120.570 -0.274 0.000 2.493 416 I HA -0.092 4.078 4.170 0.001 0.000 0.254 416 I C 2.085 178.078 176.117 -0.207 0.000 1.160 416 I CA 1.286 62.410 61.300 -0.292 0.000 1.445 416 I CB -0.721 36.932 38.000 -0.578 0.000 1.086 416 I HN 0.185 nan 8.210 nan 0.000 0.433 417 T N 0.180 114.609 114.554 -0.207 0.000 2.821 417 T HA -0.114 4.237 4.350 0.001 0.000 0.267 417 T C 1.793 176.381 174.700 -0.186 0.000 1.046 417 T CA 1.308 63.318 62.100 -0.150 0.000 1.139 417 T CB -0.213 68.568 68.868 -0.145 0.000 0.871 417 T HN 0.222 nan 8.240 nan 0.000 0.454 418 L N 1.078 122.122 121.223 -0.297 0.000 2.072 418 L HA 0.052 4.393 4.340 0.001 0.000 0.205 418 L C 2.072 178.630 176.870 -0.520 0.000 1.079 418 L CA 1.622 56.137 54.840 -0.542 0.000 0.752 418 L CB -0.517 41.198 42.059 -0.573 0.000 0.906 418 L HN 0.080 nan 8.230 nan 0.000 0.436 419 D N -0.522 119.735 120.400 -0.238 0.000 2.108 419 D HA -0.263 4.378 4.640 0.001 0.000 0.190 419 D C 2.395 178.711 176.300 0.027 0.000 0.995 419 D CA 2.218 56.188 54.000 -0.050 0.000 0.834 419 D CB 0.050 40.838 40.800 -0.020 0.000 0.967 419 D HN 0.231 nan 8.370 nan 0.000 0.446 420 R N 0.568 121.071 120.500 0.004 0.000 2.096 420 R HA -0.185 4.156 4.340 0.001 0.000 0.240 420 R C 2.395 178.765 176.300 0.116 0.000 1.139 420 R CA 2.021 58.151 56.100 0.049 0.000 0.952 420 R CB -2.457 27.855 30.300 0.020 0.000 0.854 420 R HN 0.594 nan 8.270 nan 0.000 0.436 421 W N 0.514 121.745 121.300 -0.115 0.000 2.335 421 W HA -0.118 4.542 4.660 0.001 0.000 0.311 421 W C 2.011 178.608 176.519 0.130 0.000 1.213 421 W CA 1.537 58.837 57.345 -0.075 0.000 1.274 421 W CB -0.754 28.562 29.460 -0.240 0.000 1.148 421 W HN 0.412 nan 8.180 nan 0.000 0.498 422 F N 0.841 121.046 119.950 0.426 0.000 2.161 422 F HA -0.241 4.286 4.527 0.001 0.000 0.300 422 F C 2.461 178.388 175.800 0.212 0.000 1.089 422 F CA 1.434 59.658 58.000 0.373 0.000 1.282 422 F CB -0.353 38.803 39.000 0.259 0.000 1.010 422 F HN -0.176 nan 8.300 nan 0.000 0.485 423 K N 0.108 120.703 120.400 0.325 0.000 2.167 423 K HA -0.119 4.201 4.320 0.001 0.000 0.203 423 K C 1.500 178.162 176.600 0.103 0.000 1.052 423 K CA 1.337 57.730 56.287 0.176 0.000 0.956 423 K CB -0.083 32.495 32.500 0.130 0.000 0.735 423 K HN 0.419 nan 8.250 nan 0.000 0.451 424 E N -0.282 119.964 120.200 0.077 0.000 2.526 424 E HA 0.051 4.402 4.350 0.001 0.000 0.208 424 E C 0.157 176.731 176.600 -0.042 0.000 0.997 424 E CA -0.018 56.386 56.400 0.007 0.000 0.961 424 E CB 0.581 30.272 29.700 -0.015 0.000 1.030 424 E HN -0.028 nan 8.360 nan 0.000 0.483 425 K N 1.934 122.320 120.400 -0.023 0.000 3.029 425 K HA 0.388 4.708 4.320 0.001 0.000 0.169 425 K C -2.974 173.733 176.600 0.178 0.000 1.090 425 K CA -1.474 54.785 56.287 -0.047 0.000 0.883 425 K CB 0.399 32.673 32.500 -0.377 0.000 1.080 425 K HN -0.006 nan 8.250 nan 0.000 0.613 432 S N 0.387 116.226 115.700 0.232 0.000 2.559 432 S HA 0.308 4.778 4.470 0.001 0.000 0.282 432 S C 1.486 176.148 174.600 0.104 0.000 1.336 432 S CA 1.496 59.763 58.200 0.111 0.000 1.037 432 S CB 0.892 64.123 63.200 0.051 0.000 0.853 432 S HN 0.777 nan 8.310 nan 0.000 0.523 433 T N 2.905 117.496 114.554 0.062 0.000 2.803 433 T HA 0.049 4.400 4.350 0.001 0.000 0.269 433 T C 1.935 176.664 174.700 0.049 0.000 1.052 433 T CA 2.146 64.274 62.100 0.048 0.000 1.136 433 T CB -0.715 68.165 68.868 0.021 0.000 0.864 433 T HN 0.940 nan 8.240 nan 0.000 0.467 434 A N 1.137 123.979 122.820 0.037 0.000 1.898 434 A HA 0.043 4.363 4.320 0.001 0.000 0.214 434 A C 2.197 179.801 177.584 0.033 0.000 1.183 434 A CA 1.505 53.559 52.037 0.028 0.000 0.622 434 A CB -0.264 18.741 19.000 0.008 0.000 0.824 434 A HN 0.454 nan 8.150 nan 0.000 0.444 435 D N 0.034 120.440 120.400 0.010 0.000 2.178 435 D HA -0.081 4.559 4.640 0.001 0.000 0.201 435 D C 2.207 178.555 176.300 0.081 0.000 0.980 435 D CA 1.892 55.855 54.000 -0.063 0.000 0.842 435 D CB -0.073 40.584 40.800 -0.237 0.000 0.948 435 D HN 0.551 nan 8.370 nan 0.000 0.472 436 K N 0.602 121.121 120.400 0.198 0.000 2.296 436 K HA 0.032 4.353 4.320 0.001 0.000 0.200 436 K C 2.211 179.015 176.600 0.339 0.000 1.048 436 K CA 0.289 56.758 56.287 0.303 0.000 0.966 436 K CB -0.709 31.914 32.500 0.205 0.000 0.754 436 K HN 0.161 nan 8.250 nan 0.000 0.466 437 L N -0.428 120.927 121.223 0.220 0.000 2.095 437 L HA 0.050 4.390 4.340 0.001 0.000 0.204 437 L C 3.113 180.133 176.870 0.250 0.000 1.080 437 L CA 0.925 55.894 54.840 0.215 0.000 0.759 437 L CB -0.273 41.846 42.059 0.099 0.000 0.914 437 L HN 0.400 nan 8.230 nan 0.000 0.439 438 A N -0.422 122.501 122.820 0.172 0.000 1.940 438 A HA -0.312 4.008 4.320 0.001 0.000 0.219 438 A C 2.184 179.883 177.584 0.191 0.000 1.176 438 A CA 1.781 53.895 52.037 0.129 0.000 0.631 438 A CB -0.928 18.101 19.000 0.049 0.000 0.814 438 A HN 0.539 nan 8.150 nan 0.000 0.446 439 Y N -1.142 119.261 120.300 0.171 0.000 2.242 439 Y HA -0.171 4.379 4.550 0.001 0.000 0.291 439 Y C 1.933 177.992 175.900 0.265 0.000 1.137 439 Y CA 1.882 60.154 58.100 0.288 0.000 1.181 439 Y CB -0.413 38.301 38.460 0.424 0.000 0.989 439 Y HN 0.322 nan 8.280 nan 0.000 0.527 440 F N 1.164 121.219 119.950 0.174 0.000 2.084 440 F HA -0.181 4.346 4.527 0.001 0.000 0.296 440 F C 2.389 178.111 175.800 -0.131 0.000 1.111 440 F CA 2.132 60.153 58.000 0.035 0.000 1.224 440 F CB -0.915 38.167 39.000 0.137 0.000 0.991 440 F HN 0.196 nan 8.300 nan 0.000 0.471 441 N N 0.354 119.106 118.700 0.087 0.000 2.091 441 N HA -0.304 4.436 4.740 0.001 0.000 0.193 441 N C 1.897 177.257 175.510 -0.249 0.000 1.021 441 N CA 2.838 55.859 53.050 -0.047 0.000 0.862 441 N CB -0.353 38.160 38.487 0.043 0.000 1.018 441 N HN 0.357 nan 8.380 nan 0.000 0.429 442 K N -0.085 120.155 120.400 -0.268 0.000 2.103 442 K HA 0.247 4.567 4.320 0.001 0.000 0.204 442 K C 2.189 178.275 176.600 -0.856 0.000 1.052 442 K CA 1.289 57.373 56.287 -0.339 0.000 0.945 442 K CB -1.199 31.262 32.500 -0.064 0.000 0.722 442 K HN 0.469 nan 8.250 nan 0.000 0.443 443 A N 1.307 123.338 122.820 -1.314 0.000 1.968 443 A HA -0.126 4.194 4.320 0.001 0.000 0.217 443 A C 2.209 179.091 177.584 -1.171 0.000 1.169 443 A CA 1.659 52.505 52.037 -1.985 0.000 0.638 443 A CB -0.404 17.311 19.000 -2.142 0.000 0.812 443 A HN 0.571 nan 8.150 nan 0.000 0.446 444 N N 0.058 118.188 118.700 -0.949 0.000 2.142 444 N HA -0.110 4.630 4.740 0.001 0.000 0.186 444 N C 1.663 176.926 175.510 -0.412 0.000 1.023 444 N CA 2.071 54.734 53.050 -0.645 0.000 0.852 444 N CB -0.544 37.611 38.487 -0.552 0.000 0.998 444 N HN 0.387 nan 8.380 nan 0.000 0.424 445 T N 0.609 114.936 114.554 -0.378 0.000 2.759 445 T HA -0.128 4.223 4.350 0.001 0.000 0.269 445 T C 1.617 176.171 174.700 -0.243 0.000 1.042 445 T CA 1.055 63.007 62.100 -0.246 0.000 1.140 445 T CB -0.179 68.573 68.868 -0.193 0.000 0.864 445 T HN 0.376 nan 8.240 nan 0.000 0.455 446 E N 0.435 120.431 120.200 -0.340 0.000 2.077 446 E HA -0.120 4.231 4.350 0.001 0.000 0.193 446 E C 2.273 178.749 176.600 -0.207 0.000 0.989 446 E CA 0.953 57.213 56.400 -0.234 0.000 0.800 446 E CB -0.040 29.527 29.700 -0.221 0.000 0.746 446 E HN 0.291 nan 8.360 nan 0.000 0.452 447 V N 1.302 121.053 119.914 -0.271 0.000 2.287 447 V HA -0.285 3.835 4.120 0.001 0.000 0.248 447 V C 2.498 178.491 176.094 -0.167 0.000 1.053 447 V CA 1.924 64.097 62.300 -0.212 0.000 1.027 447 V CB -0.873 30.807 31.823 -0.239 0.000 0.646 447 V HN 0.367 nan 8.190 nan 0.000 0.447 448 A N -0.397 122.335 122.820 -0.147 0.000 1.933 448 A HA -0.145 4.175 4.320 0.001 0.000 0.218 448 A C 2.199 179.692 177.584 -0.151 0.000 1.175 448 A CA 1.770 53.747 52.037 -0.100 0.000 0.628 448 A CB -0.529 18.451 19.000 -0.034 0.000 0.814 448 A HN 0.509 nan 8.150 nan 0.000 0.444 449 I N -0.864 119.622 120.570 -0.140 0.000 2.202 449 I HA -0.228 3.943 4.170 0.001 0.000 0.242 449 I C 2.417 178.446 176.117 -0.148 0.000 1.091 449 I CA 1.256 62.474 61.300 -0.137 0.000 1.368 449 I CB -0.206 37.724 38.000 -0.116 0.000 1.058 449 I HN 0.434 nan 8.210 nan 0.000 0.410 450 L N 0.241 121.383 121.223 -0.135 0.000 2.042 450 L HA -0.259 4.082 4.340 0.001 0.000 0.210 450 L C 2.314 179.112 176.870 -0.120 0.000 1.076 450 L CA 1.986 56.762 54.840 -0.106 0.000 0.749 450 L CB -0.516 41.486 42.059 -0.094 0.000 0.893 450 L HN 0.289 nan 8.230 nan 0.000 0.432 451 C N -0.303 118.854 119.300 -0.238 0.000 2.495 451 C HA 0.189 4.649 4.460 0.001 0.000 0.275 451 C C 1.398 176.154 174.990 -0.390 0.000 1.392 451 C CA 0.382 59.156 59.018 -0.407 0.000 1.766 451 C CB -1.463 25.762 27.740 -0.857 0.000 1.933 451 C HN 0.875 nan 8.230 nan 0.000 0.519 452 N N 0.326 118.869 118.700 -0.262 0.000 2.780 452 N HA -0.187 4.554 4.740 0.001 0.000 0.248 452 N C -0.465 175.021 175.510 -0.040 0.000 1.102 452 N CA 0.374 53.347 53.050 -0.127 0.000 0.697 452 N CB -2.201 36.282 38.487 -0.006 0.000 1.028 452 N HN 0.738 nan 8.380 nan 0.000 0.554 453 H N 0.645 119.700 119.070 -0.024 0.000 2.767 453 H HA 0.337 4.893 4.556 0.001 0.000 0.316 453 H C 0.187 175.494 175.328 -0.034 0.000 1.059 453 H CA -0.116 55.919 56.048 -0.022 0.000 1.461 453 H CB 0.713 30.462 29.762 -0.022 0.000 1.475 453 H HN 0.270 nan 8.280 nan 0.000 0.531 454 Q N 1.583 121.441 119.800 0.098 0.000 2.389 454 Q HA 0.588 4.928 4.340 0.001 0.000 0.277 454 Q C -0.838 175.169 176.000 0.012 0.000 1.082 454 Q CA -1.046 54.775 55.803 0.029 0.000 0.810 454 Q CB 2.376 31.117 28.738 0.006 0.000 1.374 454 Q HN 0.675 nan 8.270 nan 0.000 0.422 455 K N 0.302 120.699 120.400 -0.004 0.000 2.422 455 K HA 0.716 5.036 4.320 0.001 0.000 0.251 455 K C -0.434 176.154 176.600 -0.020 0.000 0.933 455 K CA -0.615 55.665 56.287 -0.012 0.000 0.798 455 K CB 1.910 34.402 32.500 -0.014 0.000 1.238 455 K HN 0.728 nan 8.250 nan 0.000 0.428 456 S N 0.000 115.686 115.700 -0.024 0.000 2.498 456 S HA 0.000 4.470 4.470 0.001 0.000 0.327 456 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 456 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 456 S HN 0.000 nan 8.310 nan 0.000 0.517