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 3h8l_1_B DATA FIRST_RESID 2 DATA SEQUENCE TKVLVLGGRF GALTAAYTLK RLVGSKADVK VINKSRFSYF RPALPHVAIG DATA SEQUENCE VRDVDELKVD LSEALPEKGI QFQEGTVEKI DAKSSMVYYT KPDGSMAEEE DATA SEQUENCE YDYVIVGIGA HLATELVKGW DKYGYSVCEP EFATKLREKL ESFQGGNIAI DATA SEQUENCE GSGPFYQGHN PKPKVPENFV PNADSACEGP VFEMSLMLHG YFKKKGMLDK DATA SEQUENCE VHVTVFSPGE YLSDLSPNSR KAVASIYNQL GIKLVHNFKI KEIREHEIVD DATA SEQUENCE EKGNTIPADI TILLPPYTGN PALKNSTPDL VDDGGFIPTD LNMVSIKYDN DATA SEQUENCE VYAVGDANSM TVPKLGYLAV MTGRIAAQHL ANRLGVPTKV DKYYPTIVCV DATA SEQUENCE ADNPYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.766 174.700 0.109 0.000 1.109 2 T CA 0.000 62.167 62.100 0.112 0.000 1.349 2 T CB 0.000 68.968 68.868 0.167 0.000 0.612 3 K N 2.885 123.357 120.400 0.119 0.000 2.307 3 K HA 0.710 5.031 4.320 0.001 0.000 0.263 3 K C -1.135 175.568 176.600 0.171 0.000 0.973 3 K CA -0.627 55.727 56.287 0.112 0.000 0.846 3 K CB 1.013 33.562 32.500 0.081 0.000 1.100 3 K HN 0.394 nan 8.250 nan 0.000 0.438 4 V N 6.329 126.325 119.914 0.138 0.000 2.357 4 V HA 0.337 4.458 4.120 0.001 0.000 0.284 4 V C -0.167 175.964 176.094 0.062 0.000 1.018 4 V CA -0.875 61.508 62.300 0.138 0.000 0.841 4 V CB 1.230 33.111 31.823 0.095 0.000 0.991 4 V HN 0.729 nan 8.190 nan 0.000 0.437 5 L N 5.296 126.544 121.223 0.042 0.000 2.289 5 L HA 0.596 4.936 4.340 0.001 0.000 0.285 5 L C -0.560 176.275 176.870 -0.060 0.000 1.049 5 L CA -0.613 54.215 54.840 -0.020 0.000 0.804 5 L CB 1.856 43.906 42.059 -0.016 0.000 1.195 5 L HN 0.375 nan 8.230 nan 0.000 0.428 6 V N 5.293 125.172 119.914 -0.059 0.000 2.378 6 V HA 0.377 4.498 4.120 0.001 0.000 0.288 6 V C 0.033 176.095 176.094 -0.053 0.000 1.016 6 V CA -0.498 61.772 62.300 -0.050 0.000 0.840 6 V CB 1.745 33.541 31.823 -0.045 0.000 0.994 6 V HN 0.508 nan 8.190 nan 0.000 0.431 7 L N 5.095 126.292 121.223 -0.043 0.000 2.275 7 L HA 0.906 5.246 4.340 0.001 0.000 0.288 7 L C 0.794 177.664 176.870 -0.000 0.000 1.046 7 L CA -0.003 54.813 54.840 -0.039 0.000 0.805 7 L CB 1.008 43.043 42.059 -0.039 0.000 1.193 7 L HN 0.926 nan 8.230 nan 0.000 0.426 8 G N 1.974 110.778 108.800 0.006 0.000 2.541 8 G HA2 0.140 4.101 3.960 0.001 0.000 0.686 8 G HA3 0.140 4.101 3.960 0.001 0.000 0.686 8 G C -0.129 174.802 174.900 0.051 0.000 1.286 8 G CA -0.397 44.724 45.100 0.035 0.000 0.894 8 G HN 0.946 nan 8.290 nan 0.000 0.575 9 G N -0.527 108.305 108.800 0.053 0.000 4.867 9 G HA2 0.597 4.558 3.960 0.001 0.000 0.258 9 G HA3 0.597 4.558 3.960 0.001 0.000 0.258 9 G C 0.401 175.339 174.900 0.063 0.000 0.999 9 G CA 0.525 45.657 45.100 0.052 0.000 0.797 9 G HN 0.647 nan 8.290 nan 0.000 0.505 10 R N -1.173 119.374 120.500 0.078 0.000 3.096 10 R HA 0.533 4.873 4.340 0.001 0.000 0.138 10 R C 0.873 177.238 176.300 0.109 0.000 1.088 10 R CA -0.834 55.316 56.100 0.083 0.000 0.652 10 R CB -0.031 30.224 30.300 -0.075 0.000 1.179 10 R HN 0.016 nan 8.270 nan 0.000 0.404 11 F N 1.226 121.363 119.950 0.312 0.000 2.043 11 F HA -0.206 4.321 4.527 0.001 0.000 0.297 11 F C 2.422 178.313 175.800 0.151 0.000 1.118 11 F CA 1.948 60.078 58.000 0.217 0.000 1.202 11 F CB -0.773 38.342 39.000 0.192 0.000 0.965 11 F HN 0.658 nan 8.300 nan 0.000 0.482 12 G N -0.821 108.169 108.800 0.316 0.000 2.404 12 G HA2 -0.105 3.855 3.960 0.001 0.000 0.215 12 G HA3 -0.105 3.855 3.960 0.001 0.000 0.215 12 G C 1.808 176.796 174.900 0.147 0.000 1.174 12 G CA 0.826 46.050 45.100 0.207 0.000 0.780 12 G HN 0.480 nan 8.290 nan 0.000 0.537 13 A N 0.543 123.439 122.820 0.127 0.000 1.841 13 A HA 0.109 4.429 4.320 0.001 0.000 0.214 13 A C 2.345 179.969 177.584 0.067 0.000 1.195 13 A CA 1.424 53.507 52.037 0.077 0.000 0.611 13 A CB -0.552 18.485 19.000 0.061 0.000 0.835 13 A HN 0.256 nan 8.150 nan 0.000 0.443 14 L N 0.235 121.521 121.223 0.105 0.000 2.042 14 L HA -0.136 4.204 4.340 0.001 0.000 0.210 14 L C 2.713 179.726 176.870 0.238 0.000 1.076 14 L CA 2.394 57.325 54.840 0.152 0.000 0.749 14 L CB -1.656 40.537 42.059 0.223 0.000 0.893 14 L HN 0.413 nan 8.230 nan 0.000 0.432 15 T N -0.421 114.247 114.554 0.191 0.000 2.708 15 T HA -0.179 4.171 4.350 0.001 0.000 0.266 15 T C 1.974 176.751 174.700 0.128 0.000 1.037 15 T CA 1.386 63.590 62.100 0.174 0.000 1.146 15 T CB -0.359 68.606 68.868 0.162 0.000 0.865 15 T HN 0.414 nan 8.240 nan 0.000 0.435 16 A N 1.514 124.383 122.820 0.082 0.000 1.873 16 A HA 0.213 4.534 4.320 0.001 0.000 0.215 16 A C 2.651 180.229 177.584 -0.009 0.000 1.186 16 A CA 1.803 53.853 52.037 0.022 0.000 0.616 16 A CB -1.230 17.769 19.000 -0.001 0.000 0.823 16 A HN 0.498 nan 8.150 nan 0.000 0.442 17 A N -0.917 121.881 122.820 -0.036 0.000 1.841 17 A HA -0.145 4.175 4.320 0.001 0.000 0.216 17 A C 2.099 179.620 177.584 -0.105 0.000 1.199 17 A CA 1.696 53.661 52.037 -0.121 0.000 0.621 17 A CB -1.180 17.678 19.000 -0.236 0.000 0.835 17 A HN 0.602 nan 8.150 nan 0.000 0.445 18 Y N 0.607 120.902 120.300 -0.009 0.000 2.114 18 Y HA -0.233 4.318 4.550 0.001 0.000 0.282 18 Y C 3.069 178.961 175.900 -0.013 0.000 1.165 18 Y CA 1.866 59.959 58.100 -0.013 0.000 1.148 18 Y CB -0.841 37.609 38.460 -0.017 0.000 0.972 18 Y HN 0.314 nan 8.280 nan 0.000 0.504 19 T N 0.349 114.992 114.554 0.148 0.000 2.746 19 T HA -0.200 4.151 4.350 0.001 0.000 0.267 19 T C 1.855 176.573 174.700 0.030 0.000 1.039 19 T CA 1.376 63.521 62.100 0.075 0.000 1.142 19 T CB -0.592 68.311 68.868 0.058 0.000 0.866 19 T HN 0.151 nan 8.240 nan 0.000 0.444 20 L N 1.231 122.453 121.223 -0.001 0.000 2.005 20 L HA 0.048 4.388 4.340 0.001 0.000 0.207 20 L C 2.316 179.174 176.870 -0.019 0.000 1.072 20 L CA 1.855 56.674 54.840 -0.036 0.000 0.744 20 L CB -0.601 41.415 42.059 -0.072 0.000 0.895 20 L HN -0.037 nan 8.230 nan 0.000 0.433 21 K N 0.117 120.511 120.400 -0.010 0.000 2.063 21 K HA -0.232 4.089 4.320 0.001 0.000 0.208 21 K C 2.406 179.017 176.600 0.019 0.000 1.048 21 K CA 1.904 58.191 56.287 -0.000 0.000 0.928 21 K CB -0.424 32.071 32.500 -0.007 0.000 0.713 21 K HN 0.381 nan 8.250 nan 0.000 0.442 22 R N -0.088 120.435 120.500 0.039 0.000 2.115 22 R HA -0.047 4.294 4.340 0.001 0.000 0.230 22 R C 2.057 178.368 176.300 0.018 0.000 1.111 22 R CA 1.254 57.376 56.100 0.037 0.000 0.976 22 R CB -0.168 30.162 30.300 0.050 0.000 0.870 22 R HN 0.234 nan 8.270 nan 0.000 0.445 23 L N 0.423 121.651 121.223 0.009 0.000 2.095 23 L HA -0.046 4.294 4.340 0.001 0.000 0.204 23 L C 2.239 179.105 176.870 -0.007 0.000 1.080 23 L CA 0.893 55.733 54.840 -0.001 0.000 0.759 23 L CB 0.086 42.139 42.059 -0.010 0.000 0.914 23 L HN 0.216 nan 8.230 nan 0.000 0.439 24 V N -4.433 115.475 119.914 -0.010 0.000 3.661 24 V HA 0.457 4.578 4.120 0.001 0.000 0.271 24 V C 1.459 177.552 176.094 -0.001 0.000 1.315 24 V CA 0.396 62.690 62.300 -0.011 0.000 1.072 24 V CB -0.230 31.581 31.823 -0.021 0.000 0.830 24 V HN 0.459 nan 8.190 nan 0.000 0.443 25 G N 2.321 111.123 108.800 0.003 0.000 2.672 25 G HA2 -0.466 3.494 3.960 0.001 0.000 0.332 25 G HA3 -0.466 3.494 3.960 0.001 0.000 0.332 25 G C 1.317 176.221 174.900 0.007 0.000 1.213 25 G CA 2.205 47.310 45.100 0.007 0.000 0.980 25 G HN 1.609 nan 8.290 nan 0.000 0.548 26 S N 0.463 116.168 115.700 0.009 0.000 2.562 26 S HA 0.178 4.648 4.470 0.001 0.000 0.221 26 S C 1.687 176.296 174.600 0.014 0.000 0.975 26 S CA 1.338 59.544 58.200 0.011 0.000 0.918 26 S CB 0.137 63.343 63.200 0.011 0.000 0.772 26 S HN 0.682 nan 8.310 nan 0.000 0.531 27 K N 1.560 121.967 120.400 0.013 0.000 2.585 27 K HA 0.257 4.577 4.320 0.001 0.000 0.194 27 K C 0.477 177.094 176.600 0.027 0.000 1.037 27 K CA 0.627 56.925 56.287 0.017 0.000 0.964 27 K CB -0.171 32.336 32.500 0.011 0.000 0.787 27 K HN 0.562 nan 8.250 nan 0.000 0.488 28 A N 0.872 123.707 122.820 0.025 0.000 2.599 28 A HA 0.253 4.574 4.320 0.001 0.000 0.294 28 A C -1.831 175.770 177.584 0.028 0.000 1.055 28 A CA -0.956 51.104 52.037 0.038 0.000 0.683 28 A CB 1.140 20.164 19.000 0.040 0.000 1.278 28 A HN -0.001 nan 8.150 nan 0.000 0.412 29 D N 1.567 121.989 120.400 0.037 0.000 2.317 29 D HA 0.436 5.076 4.640 0.001 0.000 0.234 29 D C -0.659 175.654 176.300 0.022 0.000 1.112 29 D CA 0.129 54.144 54.000 0.025 0.000 0.840 29 D CB 1.844 42.660 40.800 0.026 0.000 1.078 29 D HN 0.207 nan 8.370 nan 0.000 0.486 30 V N 3.629 123.544 119.914 0.001 0.000 2.347 30 V HA 0.264 4.384 4.120 0.001 0.000 0.280 30 V C 0.339 176.418 176.094 -0.025 0.000 1.021 30 V CA -0.550 61.741 62.300 -0.015 0.000 0.847 30 V CB 1.666 33.465 31.823 -0.040 0.000 0.990 30 V HN 0.307 nan 8.190 nan 0.000 0.444 31 K N 4.010 124.395 120.400 -0.024 0.000 2.324 31 K HA 0.732 5.053 4.320 0.001 0.000 0.253 31 K C -1.648 174.919 176.600 -0.056 0.000 0.932 31 K CA -0.530 55.734 56.287 -0.038 0.000 0.799 31 K CB 2.402 34.878 32.500 -0.041 0.000 1.154 31 K HN 0.452 nan 8.250 nan 0.000 0.425 32 V N 5.678 125.567 119.914 -0.043 0.000 2.483 32 V HA 0.466 4.587 4.120 0.001 0.000 0.295 32 V C -0.203 175.812 176.094 -0.132 0.000 1.035 32 V CA -0.747 61.538 62.300 -0.026 0.000 0.896 32 V CB 1.519 33.389 31.823 0.077 0.000 0.986 32 V HN 0.662 nan 8.190 nan 0.000 0.447 33 I N 4.468 124.931 120.570 -0.179 0.000 2.410 33 I HA 0.460 4.630 4.170 0.001 0.000 0.286 33 I C -0.527 175.487 176.117 -0.173 0.000 1.009 33 I CA -0.324 60.771 61.300 -0.341 0.000 1.111 33 I CB 1.707 39.412 38.000 -0.492 0.000 1.262 33 I HN 0.587 nan 8.210 nan 0.000 0.443 34 N N 4.075 122.710 118.700 -0.109 0.000 2.229 34 N HA 0.271 5.012 4.740 0.001 0.000 0.298 34 N C 0.532 176.058 175.510 0.026 0.000 1.114 34 N CA -0.875 52.202 53.050 0.045 0.000 0.776 34 N CB 1.803 40.426 38.487 0.227 0.000 1.501 34 N HN 0.548 nan 8.380 nan 0.000 0.474 35 K N 0.033 120.456 120.400 0.037 0.000 2.515 35 K HA 0.037 4.357 4.320 0.001 0.000 0.196 35 K C -0.079 176.570 176.600 0.082 0.000 1.038 35 K CA 0.631 56.946 56.287 0.047 0.000 0.967 35 K CB -0.148 32.381 32.500 0.049 0.000 0.780 35 K HN 0.402 nan 8.250 nan 0.000 0.483 36 S N -0.862 114.906 115.700 0.114 0.000 2.618 36 S HA 0.308 4.778 4.470 0.001 0.000 0.277 36 S C 0.245 174.926 174.600 0.135 0.000 1.138 36 S CA -1.152 57.127 58.200 0.130 0.000 0.844 36 S CB 2.029 65.314 63.200 0.142 0.000 1.127 36 S HN 0.229 nan 8.310 nan 0.000 0.474 37 R N -0.368 120.147 120.500 0.025 0.000 2.119 37 R HA 0.227 4.567 4.340 0.001 0.000 0.222 37 R C -0.654 175.245 176.300 -0.669 0.000 1.088 37 R CA 0.807 56.731 56.100 -0.294 0.000 0.984 37 R CB -0.083 29.935 30.300 -0.469 0.000 0.884 37 R HN 0.625 nan 8.270 nan 0.000 0.447 38 F N -0.347 119.522 119.950 -0.136 0.000 2.492 38 F HA 0.407 4.934 4.527 0.001 0.000 0.327 38 F C -0.109 175.460 175.800 -0.384 0.000 1.079 38 F CA -0.803 57.004 58.000 -0.322 0.000 0.967 38 F CB 2.211 40.943 39.000 -0.446 0.000 1.169 38 F HN -0.267 nan 8.300 nan 0.000 0.472 39 S N 1.359 116.888 115.700 -0.285 0.000 2.502 39 S HA 0.597 5.067 4.470 0.001 0.000 0.304 39 S C -1.476 172.822 174.600 -0.504 0.000 1.097 39 S CA -0.628 57.379 58.200 -0.322 0.000 1.045 39 S CB 0.636 63.748 63.200 -0.147 0.000 1.019 39 S HN 0.381 nan 8.310 nan 0.000 0.481 40 Y N 1.433 121.533 120.300 -0.334 0.000 2.387 40 Y HA 0.629 5.179 4.550 0.001 0.000 0.336 40 Y C -0.543 175.018 175.900 -0.565 0.000 1.067 40 Y CA -1.045 56.907 58.100 -0.247 0.000 1.114 40 Y CB 0.969 39.361 38.460 -0.113 0.000 1.208 40 Y HN 0.539 nan 8.280 nan 0.000 0.458 41 F N 2.466 122.502 119.950 0.143 0.000 2.577 41 F HA 0.584 5.111 4.527 0.001 0.000 0.344 41 F C 0.077 175.950 175.800 0.122 0.000 1.145 41 F CA -0.941 57.117 58.000 0.097 0.000 0.996 41 F CB 1.163 40.176 39.000 0.021 0.000 1.248 41 F HN 0.373 nan 8.300 nan 0.000 0.447 42 R N 1.571 122.214 120.500 0.238 0.000 2.893 42 R HA 0.704 5.044 4.340 0.001 0.000 0.223 42 R C -2.437 173.961 176.300 0.163 0.000 1.433 42 R CA -1.864 54.337 56.100 0.168 0.000 1.063 42 R CB 0.284 30.646 30.300 0.104 0.000 1.758 42 R HN 0.210 nan 8.270 nan 0.000 0.524 43 P HA 0.226 nan 4.420 nan 0.000 0.288 43 P C -0.345 176.984 177.300 0.049 0.000 1.267 43 P CA -0.140 62.998 63.100 0.062 0.000 0.815 43 P CB 1.484 33.179 31.700 -0.009 0.000 0.989 44 A N 3.625 126.477 122.820 0.053 0.000 1.881 44 A HA -0.139 4.181 4.320 0.001 0.000 0.219 44 A C 0.758 178.353 177.584 0.018 0.000 1.215 44 A CA 1.486 53.552 52.037 0.047 0.000 0.648 44 A CB -1.094 17.927 19.000 0.036 0.000 0.832 44 A HN 0.536 nan 8.150 nan 0.000 0.455 45 L N 0.311 121.519 121.223 -0.025 0.000 2.334 45 L HA 0.378 4.719 4.340 0.001 0.000 0.276 45 L C -1.971 174.836 176.870 -0.106 0.000 1.014 45 L CA -2.381 52.431 54.840 -0.047 0.000 0.815 45 L CB 1.579 43.608 42.059 -0.049 0.000 1.268 45 L HN 0.212 nan 8.230 nan 0.000 0.428 46 P HA -0.026 nan 4.420 nan 0.000 0.272 46 P C -0.886 176.340 177.300 -0.124 0.000 1.248 46 P CA -0.133 62.919 63.100 -0.081 0.000 0.799 46 P CB 0.556 32.226 31.700 -0.050 0.000 0.997 47 H N -0.292 118.753 119.070 -0.041 0.000 2.539 47 H HA 0.234 4.791 4.556 0.001 0.000 0.247 47 H C -0.551 174.731 175.328 -0.078 0.000 1.363 47 H CA -0.641 55.380 56.048 -0.044 0.000 1.371 47 H CB -0.015 29.734 29.762 -0.022 0.000 1.438 47 H HN -0.002 nan 8.280 nan 0.000 0.523 48 V N 3.531 123.450 119.914 0.009 0.000 2.157 48 V HA 0.410 4.531 4.120 0.001 0.000 0.241 48 V C 0.150 176.217 176.094 -0.046 0.000 1.349 48 V CA -0.110 62.099 62.300 -0.153 0.000 1.319 48 V CB -1.025 30.573 31.823 -0.376 0.000 1.421 48 V HN 0.702 nan 8.190 nan 0.000 0.501 49 A N 6.257 129.080 122.820 0.005 0.000 2.311 49 A HA 0.769 5.090 4.320 0.001 0.000 0.334 49 A C -0.223 177.416 177.584 0.093 0.000 1.139 49 A CA -0.860 51.206 52.037 0.047 0.000 0.830 49 A CB 0.974 19.960 19.000 -0.024 0.000 1.234 49 A HN 0.644 nan 8.150 nan 0.000 0.483 50 I N 1.820 122.442 120.570 0.086 0.000 2.347 50 I HA 0.344 4.514 4.170 0.001 0.000 0.294 50 I C 1.409 177.544 176.117 0.030 0.000 1.090 50 I CA 1.151 62.494 61.300 0.072 0.000 1.314 50 I CB 0.286 38.289 38.000 0.004 0.000 1.423 50 I HN 1.053 nan 8.210 nan 0.000 0.503 51 G N 4.685 113.507 108.800 0.036 0.000 2.168 51 G HA2 -0.230 3.731 3.960 0.001 0.000 0.263 51 G HA3 -0.230 3.731 3.960 0.001 0.000 0.263 51 G C 0.074 174.975 174.900 0.002 0.000 0.977 51 G CA 0.051 45.160 45.100 0.015 0.000 0.659 51 G HN 0.472 nan 8.290 nan 0.000 0.533 52 V N 0.465 120.378 119.914 -0.003 0.000 2.357 52 V HA 0.521 4.642 4.120 0.001 0.000 0.281 52 V C 0.348 176.428 176.094 -0.023 0.000 1.015 52 V CA -0.619 61.668 62.300 -0.021 0.000 0.827 52 V CB 1.421 33.219 31.823 -0.042 0.000 1.018 52 V HN 0.484 nan 8.190 nan 0.000 0.432 53 R N 2.719 123.212 120.500 -0.012 0.000 2.198 53 R HA 0.393 4.733 4.340 0.001 0.000 0.339 53 R C -0.546 175.758 176.300 0.007 0.000 1.020 53 R CA -0.347 55.754 56.100 0.000 0.000 0.864 53 R CB 0.771 31.072 30.300 0.001 0.000 1.105 53 R HN 0.650 nan 8.270 nan 0.000 0.463 54 D N 5.065 125.482 120.400 0.029 0.000 2.479 54 D HA 0.116 4.756 4.640 0.001 0.000 0.218 54 D C -0.577 175.772 176.300 0.081 0.000 1.131 54 D CA -0.391 53.638 54.000 0.048 0.000 0.916 54 D CB 0.859 41.686 40.800 0.045 0.000 1.022 54 D HN 0.245 nan 8.370 nan 0.000 0.515 55 V N 3.379 123.323 119.914 0.050 0.000 2.637 55 V HA 0.258 4.379 4.120 0.001 0.000 0.296 55 V C 0.341 176.471 176.094 0.059 0.000 1.046 55 V CA -0.002 62.327 62.300 0.048 0.000 1.066 55 V CB 1.382 33.223 31.823 0.030 0.000 0.968 55 V HN 0.545 nan 8.190 nan 0.000 0.483 56 D N 2.975 123.415 120.400 0.066 0.000 2.362 56 D HA 0.278 4.918 4.640 0.001 0.000 0.228 56 D C -0.734 175.619 176.300 0.089 0.000 1.326 56 D CA -0.413 53.633 54.000 0.075 0.000 0.927 56 D CB 0.890 41.740 40.800 0.085 0.000 1.501 56 D HN 0.833 nan 8.370 nan 0.000 0.519 57 E N 2.369 122.626 120.200 0.096 0.000 2.314 57 E HA 0.553 4.903 4.350 0.001 0.000 0.272 57 E C -1.583 175.107 176.600 0.149 0.000 0.884 57 E CA -1.162 55.319 56.400 0.135 0.000 0.753 57 E CB 1.986 31.766 29.700 0.133 0.000 1.213 57 E HN 0.181 nan 8.360 nan 0.000 0.432 58 L N 2.765 124.109 121.223 0.201 0.000 2.272 58 L HA 0.432 4.772 4.340 0.001 0.000 0.289 58 L C -0.871 176.135 176.870 0.227 0.000 1.032 58 L CA -0.214 54.737 54.840 0.185 0.000 0.810 58 L CB 0.996 43.158 42.059 0.172 0.000 1.205 58 L HN 0.674 nan 8.230 nan 0.000 0.422 59 K N 4.975 125.457 120.400 0.138 0.000 2.389 59 K HA 0.546 4.867 4.320 0.001 0.000 0.261 59 K C -1.616 174.999 176.600 0.025 0.000 1.014 59 K CA -0.613 55.695 56.287 0.035 0.000 0.920 59 K CB 1.046 33.573 32.500 0.045 0.000 1.149 59 K HN 0.502 nan 8.250 nan 0.000 0.444 60 V N 3.533 123.456 119.914 0.016 0.000 2.407 60 V HA 0.116 4.237 4.120 0.001 0.000 0.278 60 V C -0.138 175.960 176.094 0.006 0.000 1.037 60 V CA -0.720 61.601 62.300 0.035 0.000 0.900 60 V CB 1.301 33.170 31.823 0.077 0.000 0.983 60 V HN 0.752 nan 8.190 nan 0.000 0.459 61 D N 4.296 124.688 120.400 -0.014 0.000 2.456 61 D HA 0.278 4.918 4.640 0.001 0.000 0.219 61 D C 1.013 177.087 176.300 -0.376 0.000 1.126 61 D CA -0.192 53.671 54.000 -0.228 0.000 0.890 61 D CB 1.166 41.924 40.800 -0.070 0.000 1.025 61 D HN 0.440 nan 8.370 nan 0.000 0.511 62 L N 2.527 123.385 121.223 -0.608 0.000 2.127 62 L HA -0.219 4.122 4.340 0.001 0.000 0.211 62 L C 2.467 178.807 176.870 -0.883 0.000 1.089 62 L CA 1.345 55.698 54.840 -0.811 0.000 0.757 62 L CB -0.587 40.743 42.059 -1.214 0.000 0.899 62 L HN 0.389 nan 8.230 nan 0.000 0.434 63 S N -0.615 114.584 115.700 -0.835 0.000 2.419 63 S HA -0.174 4.297 4.470 0.001 0.000 0.233 63 S C 1.629 176.138 174.600 -0.151 0.000 1.016 63 S CA 1.275 59.283 58.200 -0.320 0.000 0.974 63 S CB -0.147 62.981 63.200 -0.120 0.000 0.786 63 S HN 0.578 nan 8.310 nan 0.000 0.492 64 E N 1.040 121.138 120.200 -0.170 0.000 2.206 64 E HA 0.343 4.693 4.350 0.001 0.000 0.195 64 E C 2.387 178.953 176.600 -0.056 0.000 0.935 64 E CA 0.504 56.858 56.400 -0.077 0.000 0.875 64 E CB -0.284 29.386 29.700 -0.049 0.000 0.841 64 E HN 0.566 nan 8.360 nan 0.000 0.477 65 A N 1.503 124.277 122.820 -0.078 0.000 1.933 65 A HA -0.122 4.198 4.320 0.001 0.000 0.218 65 A C 2.161 179.767 177.584 0.037 0.000 1.175 65 A CA 1.044 53.076 52.037 -0.009 0.000 0.628 65 A CB -0.525 18.476 19.000 0.001 0.000 0.814 65 A HN 0.091 nan 8.150 nan 0.000 0.444 66 L N -0.804 120.389 121.223 -0.049 0.000 2.007 66 L HA -0.058 4.282 4.340 0.001 0.000 0.205 66 L C -0.467 176.390 176.870 -0.023 0.000 1.073 66 L CA 1.155 55.953 54.840 -0.070 0.000 0.744 66 L CB -1.278 40.703 42.059 -0.128 0.000 0.898 66 L HN 0.183 nan 8.230 nan 0.000 0.435 67 P HA -0.240 nan 4.420 nan 0.000 0.216 67 P C 1.190 178.500 177.300 0.017 0.000 1.150 67 P CA 1.314 64.419 63.100 0.010 0.000 0.843 67 P CB 0.026 31.735 31.700 0.015 0.000 0.787 68 E N -0.272 119.942 120.200 0.023 0.000 2.393 68 E HA -0.198 4.153 4.350 0.001 0.000 0.201 68 E C 1.152 177.784 176.600 0.054 0.000 1.025 68 E CA 1.316 57.736 56.400 0.034 0.000 0.856 68 E CB -0.496 29.223 29.700 0.032 0.000 0.771 68 E HN -0.020 nan 8.360 nan 0.000 0.526 69 K N -1.179 119.263 120.400 0.070 0.000 2.447 69 K HA 0.250 4.571 4.320 0.001 0.000 0.205 69 K C 0.560 177.188 176.600 0.047 0.000 1.059 69 K CA 0.458 56.802 56.287 0.095 0.000 1.065 69 K CB 1.009 33.651 32.500 0.237 0.000 0.885 69 K HN 0.186 nan 8.250 nan 0.000 0.545 70 G N 1.868 110.681 108.800 0.022 0.000 2.132 70 G HA2 -0.230 3.730 3.960 0.001 0.000 0.228 70 G HA3 -0.230 3.730 3.960 0.001 0.000 0.228 70 G C -0.015 174.878 174.900 -0.011 0.000 1.000 70 G CA -0.098 45.007 45.100 0.008 0.000 0.693 70 G HN 0.251 nan 8.290 nan 0.000 0.515 71 I N 0.849 121.400 120.570 -0.030 0.000 2.406 71 I HA 0.346 4.516 4.170 0.001 0.000 0.290 71 I C 0.584 176.690 176.117 -0.017 0.000 0.999 71 I CA -0.896 60.370 61.300 -0.056 0.000 1.124 71 I CB 1.558 39.465 38.000 -0.155 0.000 1.289 71 I HN 0.141 nan 8.210 nan 0.000 0.441 72 Q N 4.695 124.494 119.800 -0.001 0.000 2.368 72 Q HA 0.483 4.823 4.340 0.001 0.000 0.237 72 Q C -1.112 174.935 176.000 0.077 0.000 0.987 72 Q CA -0.248 55.572 55.803 0.027 0.000 0.896 72 Q CB 1.562 30.301 28.738 0.002 0.000 1.241 72 Q HN 0.512 nan 8.270 nan 0.000 0.485 73 F N 0.949 120.852 119.950 -0.078 0.000 2.569 73 F HA 0.382 4.909 4.527 0.001 0.000 0.312 73 F C -1.411 174.336 175.800 -0.088 0.000 1.109 73 F CA -0.665 57.277 58.000 -0.096 0.000 0.919 73 F CB 2.036 40.973 39.000 -0.105 0.000 1.211 73 F HN 0.439 nan 8.300 nan 0.000 0.446 74 Q N 4.544 123.681 119.800 -1.105 0.000 2.304 74 Q HA 0.285 4.625 4.340 0.001 0.000 0.270 74 Q C -1.516 173.760 176.000 -1.205 0.000 1.035 74 Q CA -0.535 54.719 55.803 -0.914 0.000 0.781 74 Q CB 1.716 30.178 28.738 -0.461 0.000 1.261 74 Q HN 0.763 nan 8.270 nan 0.000 0.444 75 E N 2.154 121.824 120.200 -0.883 0.000 2.289 75 E HA 0.656 5.006 4.350 0.001 0.000 0.278 75 E C -0.781 175.687 176.600 -0.220 0.000 1.032 75 E CA -0.198 55.931 56.400 -0.452 0.000 0.854 75 E CB 0.597 30.239 29.700 -0.097 0.000 1.046 75 E HN 0.824 nan 8.360 nan 0.000 0.409 76 G N 2.027 110.735 108.800 -0.153 0.000 2.442 76 G HA2 0.149 4.109 3.960 0.001 0.000 0.296 76 G HA3 0.149 4.109 3.960 0.001 0.000 0.296 76 G C -1.181 173.721 174.900 0.003 0.000 1.564 76 G CA -0.769 44.334 45.100 0.003 0.000 0.828 76 G HN 0.376 nan 8.290 nan 0.000 0.571 77 T N 1.560 116.175 114.554 0.102 0.000 2.738 77 T HA 0.443 4.793 4.350 0.001 0.000 0.298 77 T C 0.706 175.483 174.700 0.128 0.000 0.962 77 T CA -0.274 61.874 62.100 0.081 0.000 0.972 77 T CB 1.212 70.121 68.868 0.069 0.000 0.928 77 T HN 0.550 nan 8.240 nan 0.000 0.474 78 V N 4.546 124.515 119.914 0.092 0.000 2.617 78 V HA 0.027 4.147 4.120 0.001 0.000 0.304 78 V C 1.262 177.414 176.094 0.096 0.000 1.040 78 V CA 0.421 62.798 62.300 0.127 0.000 1.149 78 V CB 0.517 32.382 31.823 0.070 0.000 0.914 78 V HN 0.843 nan 8.190 nan 0.000 0.487 79 E N 3.414 123.685 120.200 0.118 0.000 2.372 79 E HA 0.158 4.508 4.350 0.001 0.000 0.201 79 E C 0.333 176.941 176.600 0.013 0.000 0.938 79 E CA 0.329 56.759 56.400 0.051 0.000 0.944 79 E CB 0.575 30.303 29.700 0.046 0.000 0.937 79 E HN 0.898 nan 8.360 nan 0.000 0.495 80 K N -0.487 119.948 120.400 0.058 0.000 2.736 80 K HA 0.447 4.767 4.320 0.001 0.000 0.290 80 K C -1.424 175.248 176.600 0.120 0.000 1.033 80 K CA -0.620 55.677 56.287 0.016 0.000 0.852 80 K CB 0.589 33.026 32.500 -0.106 0.000 1.494 80 K HN -0.156 nan 8.250 nan 0.000 0.378 81 I N 1.217 121.837 120.570 0.084 0.000 2.436 81 I HA 0.235 4.406 4.170 0.001 0.000 0.289 81 I C -1.085 175.086 176.117 0.090 0.000 1.010 81 I CA -0.673 60.715 61.300 0.145 0.000 1.098 81 I CB 1.925 39.978 38.000 0.088 0.000 1.266 81 I HN 0.622 nan 8.210 nan 0.000 0.434 82 D N 5.560 126.055 120.400 0.159 0.000 2.485 82 D HA 0.351 4.991 4.640 0.001 0.000 0.221 82 D C 0.802 177.083 176.300 -0.031 0.000 1.112 82 D CA -0.234 53.801 54.000 0.058 0.000 0.911 82 D CB 1.728 42.627 40.800 0.165 0.000 1.019 82 D HN 0.661 nan 8.370 nan 0.000 0.516 83 A N 4.328 127.030 122.820 -0.198 0.000 2.019 83 A HA -0.155 4.165 4.320 0.001 0.000 0.219 83 A C 2.022 179.370 177.584 -0.393 0.000 1.164 83 A CA 1.170 52.941 52.037 -0.443 0.000 0.644 83 A CB -0.060 18.228 19.000 -1.187 0.000 0.805 83 A HN 0.506 nan 8.150 nan 0.000 0.449 84 K N 0.191 120.452 120.400 -0.231 0.000 2.057 84 K HA -0.095 4.225 4.320 0.001 0.000 0.206 84 K C 2.092 178.671 176.600 -0.036 0.000 1.050 84 K CA 1.655 57.926 56.287 -0.027 0.000 0.935 84 K CB -0.094 32.427 32.500 0.035 0.000 0.715 84 K HN 0.635 nan 8.250 nan 0.000 0.439 85 S N -0.737 114.923 115.700 -0.067 0.000 2.556 85 S HA 0.102 4.572 4.470 0.001 0.000 0.216 85 S C 0.285 174.759 174.600 -0.210 0.000 0.970 85 S CA -0.168 57.976 58.200 -0.094 0.000 0.912 85 S CB 0.388 63.558 63.200 -0.051 0.000 0.790 85 S HN 0.089 nan 8.310 nan 0.000 0.504 86 S N 1.564 117.093 115.700 -0.287 0.000 3.797 86 S HA -0.073 4.398 4.470 0.001 0.000 0.374 86 S C -0.313 173.786 174.600 -0.834 0.000 0.970 86 S CA 0.663 58.403 58.200 -0.766 0.000 1.177 86 S CB -1.528 61.154 63.200 -0.863 0.000 0.891 86 S HN 0.601 nan 8.310 nan 0.000 0.491 87 M N 0.786 120.229 119.600 -0.262 0.000 2.465 87 M HA 0.563 5.043 4.480 0.001 0.000 0.316 87 M C -0.147 176.250 176.300 0.161 0.000 1.121 87 M CA -0.592 54.641 55.300 -0.111 0.000 0.934 87 M CB 1.881 34.384 32.600 -0.161 0.000 1.692 87 M HN 0.009 nan 8.290 nan 0.000 0.444 88 V N 3.351 123.358 119.914 0.155 0.000 2.409 88 V HA 0.401 4.521 4.120 0.001 0.000 0.291 88 V C -1.175 175.021 176.094 0.170 0.000 1.020 88 V CA -0.630 61.826 62.300 0.260 0.000 0.848 88 V CB 1.387 33.372 31.823 0.269 0.000 0.990 88 V HN 0.633 nan 8.190 nan 0.000 0.430 89 Y N 5.761 126.134 120.300 0.122 0.000 2.320 89 Y HA 0.674 5.225 4.550 0.001 0.000 0.334 89 Y C -0.063 175.919 175.900 0.136 0.000 1.055 89 Y CA -0.705 57.423 58.100 0.046 0.000 1.143 89 Y CB 1.226 39.684 38.460 -0.004 0.000 1.193 89 Y HN 0.708 nan 8.280 nan 0.000 0.477 90 Y N -1.556 118.800 120.300 0.094 0.000 2.581 90 Y HA 0.669 5.219 4.550 0.001 0.000 0.337 90 Y C -1.048 174.865 175.900 0.021 0.000 1.108 90 Y CA -1.494 56.633 58.100 0.043 0.000 1.033 90 Y CB 0.839 39.302 38.460 0.005 0.000 1.318 90 Y HN 0.387 nan 8.280 nan 0.000 0.459 91 T N 3.531 118.177 114.554 0.154 0.000 2.771 91 T HA 0.341 4.691 4.350 0.001 0.000 0.291 91 T C -0.313 174.471 174.700 0.140 0.000 0.954 91 T CA -0.745 61.396 62.100 0.070 0.000 1.045 91 T CB 0.625 69.526 68.868 0.055 0.000 0.917 91 T HN 0.526 nan 8.240 nan 0.000 0.484 92 K N 3.350 123.796 120.400 0.076 0.000 2.107 92 K HA 0.246 4.566 4.320 0.001 0.000 0.251 92 K C -1.501 175.134 176.600 0.058 0.000 1.012 92 K CA -2.108 54.238 56.287 0.098 0.000 0.920 92 K CB 0.432 32.962 32.500 0.051 0.000 1.033 92 K HN 0.183 nan 8.250 nan 0.000 0.478 93 P HA -0.202 nan 4.420 nan 0.000 0.216 93 P C 0.292 177.612 177.300 0.034 0.000 1.150 93 P CA 1.390 64.516 63.100 0.043 0.000 0.843 93 P CB 0.042 31.767 31.700 0.041 0.000 0.787 94 D N -1.738 118.677 120.400 0.025 0.000 2.378 94 D HA 0.004 4.645 4.640 0.001 0.000 0.227 94 D C 1.455 177.762 176.300 0.012 0.000 1.012 94 D CA 1.018 55.028 54.000 0.017 0.000 0.905 94 D CB -0.997 39.809 40.800 0.010 0.000 0.895 94 D HN 0.279 nan 8.370 nan 0.000 0.532 95 G N -0.194 108.615 108.800 0.013 0.000 2.213 95 G HA2 -0.283 3.677 3.960 0.001 0.000 0.236 95 G HA3 -0.283 3.677 3.960 0.001 0.000 0.236 95 G C 0.419 175.316 174.900 -0.005 0.000 0.991 95 G CA 0.356 45.461 45.100 0.008 0.000 0.629 95 G HN 0.881 nan 8.290 nan 0.000 0.517 96 S N -0.216 115.475 115.700 -0.016 0.000 2.585 96 S HA 0.662 5.132 4.470 0.001 0.000 0.273 96 S C 0.169 174.729 174.600 -0.067 0.000 1.339 96 S CA 0.434 58.611 58.200 -0.039 0.000 1.028 96 S CB 1.659 64.832 63.200 -0.045 0.000 0.906 96 S HN 1.121 nan 8.310 nan 0.000 0.528 97 M N 2.961 122.511 119.600 -0.084 0.000 2.088 97 M HA 0.658 5.139 4.480 0.001 0.000 0.346 97 M C -0.440 175.730 176.300 -0.216 0.000 1.111 97 M CA -0.575 54.653 55.300 -0.121 0.000 1.017 97 M CB 0.511 33.083 32.600 -0.048 0.000 1.568 97 M HN 0.918 nan 8.290 nan 0.000 0.445 98 A N 4.275 126.831 122.820 -0.440 0.000 2.320 98 A HA 0.775 5.096 4.320 0.001 0.000 0.334 98 A C -0.976 176.242 177.584 -0.611 0.000 1.147 98 A CA -0.611 51.074 52.037 -0.588 0.000 0.820 98 A CB 0.773 19.249 19.000 -0.873 0.000 1.218 98 A HN 0.820 nan 8.150 nan 0.000 0.482 99 E N 1.311 121.228 120.200 -0.473 0.000 2.283 99 E HA 0.450 4.801 4.350 0.001 0.000 0.258 99 E C -1.141 175.266 176.600 -0.322 0.000 0.893 99 E CA -0.271 55.801 56.400 -0.547 0.000 0.798 99 E CB 1.057 30.316 29.700 -0.734 0.000 1.242 99 E HN 0.668 nan 8.360 nan 0.000 0.414 100 E N 3.533 123.632 120.200 -0.169 0.000 2.256 100 E HA 0.229 4.579 4.350 0.001 0.000 0.267 100 E C -1.051 175.526 176.600 -0.038 0.000 0.892 100 E CA -0.769 55.609 56.400 -0.036 0.000 0.775 100 E CB 1.452 31.237 29.700 0.142 0.000 1.207 100 E HN 0.630 nan 8.360 nan 0.000 0.420 101 E N 2.287 122.452 120.200 -0.057 0.000 2.227 101 E HA 0.403 4.754 4.350 0.001 0.000 0.268 101 E C -1.224 175.359 176.600 -0.028 0.000 0.990 101 E CA -0.747 55.576 56.400 -0.128 0.000 0.856 101 E CB 1.197 30.790 29.700 -0.179 0.000 1.159 101 E HN 0.452 nan 8.360 nan 0.000 0.401 102 Y N -1.001 119.280 120.300 -0.032 0.000 2.581 102 Y HA 0.447 4.998 4.550 0.001 0.000 0.345 102 Y C -0.225 175.635 175.900 -0.068 0.000 1.036 102 Y CA -1.245 56.842 58.100 -0.022 0.000 1.042 102 Y CB 1.213 39.680 38.460 0.012 0.000 1.289 102 Y HN 0.374 nan 8.280 nan 0.000 0.471 103 D N 0.132 120.612 120.400 0.132 0.000 2.262 103 D HA 0.044 4.684 4.640 0.001 0.000 0.212 103 D C -0.700 175.436 176.300 -0.273 0.000 0.964 103 D CA 1.544 55.465 54.000 -0.131 0.000 0.875 103 D CB 0.306 41.033 40.800 -0.122 0.000 0.996 103 D HN 0.473 nan 8.370 nan 0.000 0.497 104 Y N -0.642 119.878 120.300 0.366 0.000 2.534 104 Y HA 0.456 5.007 4.550 0.001 0.000 0.345 104 Y C -0.482 175.407 175.900 -0.018 0.000 1.031 104 Y CA -0.955 57.302 58.100 0.261 0.000 1.022 104 Y CB 2.391 40.977 38.460 0.209 0.000 1.292 104 Y HN -0.389 nan 8.280 nan 0.000 0.459 105 V N 4.727 124.572 119.914 -0.114 0.000 2.709 105 V HA 0.611 4.731 4.120 0.001 0.000 0.308 105 V C -1.193 174.881 176.094 -0.033 0.000 1.062 105 V CA -0.791 61.283 62.300 -0.376 0.000 0.901 105 V CB 1.700 32.862 31.823 -1.101 0.000 1.003 105 V HN 0.677 nan 8.190 nan 0.000 0.425 106 I N 6.887 127.444 120.570 -0.021 0.000 2.390 106 I HA 0.376 4.547 4.170 0.001 0.000 0.283 106 I C -0.483 175.645 176.117 0.019 0.000 1.016 106 I CA -0.823 60.509 61.300 0.053 0.000 1.151 106 I CB 1.843 39.846 38.000 0.005 0.000 1.293 106 I HN 0.268 nan 8.210 nan 0.000 0.458 107 V N 5.527 125.468 119.914 0.044 0.000 2.389 107 V HA 0.344 4.465 4.120 0.001 0.000 0.264 107 V C 1.032 177.164 176.094 0.064 0.000 1.049 107 V CA -0.049 62.272 62.300 0.035 0.000 0.932 107 V CB 0.854 32.697 31.823 0.034 0.000 1.011 107 V HN 0.991 nan 8.190 nan 0.000 0.475 108 G N 4.154 112.989 108.800 0.058 0.000 4.379 108 G HA2 0.257 4.217 3.960 0.001 0.000 0.290 108 G HA3 0.257 4.217 3.960 0.001 0.000 0.290 108 G C 0.610 175.558 174.900 0.081 0.000 1.065 108 G CA -0.165 44.984 45.100 0.083 0.000 0.833 108 G HN 0.846 nan 8.290 nan 0.000 0.512 109 I N -1.911 118.699 120.570 0.067 0.000 3.749 109 I HA 0.435 4.605 4.170 0.001 0.000 0.314 109 I C 1.175 177.338 176.117 0.077 0.000 1.267 109 I CA 0.154 61.489 61.300 0.059 0.000 1.169 109 I CB -0.389 37.632 38.000 0.034 0.000 1.009 109 I HN 0.215 nan 8.210 nan 0.000 0.444 110 G N 1.573 110.440 108.800 0.112 0.000 2.598 110 G HA2 -0.161 3.800 3.960 0.001 0.000 0.269 110 G HA3 -0.161 3.800 3.960 0.001 0.000 0.269 110 G C 0.011 175.003 174.900 0.154 0.000 1.289 110 G CA 0.160 45.348 45.100 0.146 0.000 0.926 110 G HN 0.889 nan 8.290 nan 0.000 0.567 111 A N -1.521 121.405 122.820 0.177 0.000 3.687 111 A HA 0.862 5.182 4.320 0.001 0.000 0.164 111 A C 0.000 177.635 177.584 0.084 0.000 1.564 111 A CA 1.141 53.292 52.037 0.191 0.000 0.896 111 A CB 1.052 20.314 19.000 0.437 0.000 1.731 111 A HN 2.234 nan 8.150 nan 0.000 0.607 112 H N -1.481 117.532 119.070 -0.095 0.000 2.954 112 H HA 0.573 5.129 4.556 0.001 0.000 0.361 112 H C -1.730 173.436 175.328 -0.270 0.000 1.122 112 H CA -0.511 55.440 56.048 -0.163 0.000 1.217 112 H CB 1.054 30.743 29.762 -0.122 0.000 1.776 112 H HN 0.399 nan 8.280 nan 0.000 0.533 113 L N 4.538 125.228 121.223 -0.889 0.000 2.288 113 L HA 0.426 4.767 4.340 0.001 0.000 0.283 113 L C 0.383 176.747 176.870 -0.843 0.000 1.072 113 L CA -0.682 53.709 54.840 -0.748 0.000 0.862 113 L CB 0.983 42.680 42.059 -0.603 0.000 1.245 113 L HN 0.819 nan 8.230 nan 0.000 0.432 114 A N 1.777 124.318 122.820 -0.465 0.000 3.046 114 A HA 0.099 4.420 4.320 0.001 0.000 0.259 114 A C 1.704 179.124 177.584 -0.274 0.000 1.843 114 A CA 0.193 52.099 52.037 -0.219 0.000 1.451 114 A CB -0.730 18.276 19.000 0.009 0.000 1.025 114 A HN 0.834 nan 8.150 nan 0.000 0.625 115 T N -0.796 113.461 114.554 -0.494 0.000 2.881 115 T HA -0.220 4.130 4.350 0.001 0.000 0.270 115 T C 1.532 176.017 174.700 -0.359 0.000 1.068 115 T CA 1.278 62.928 62.100 -0.750 0.000 1.131 115 T CB -0.285 67.761 68.868 -1.370 0.000 0.871 115 T HN 0.750 nan 8.240 nan 0.000 0.479 116 E N 1.970 122.069 120.200 -0.169 0.000 2.331 116 E HA -0.125 4.226 4.350 0.001 0.000 0.199 116 E C 1.924 178.517 176.600 -0.012 0.000 1.008 116 E CA 0.818 57.196 56.400 -0.036 0.000 0.843 116 E CB -0.675 29.029 29.700 0.007 0.000 0.761 116 E HN 0.565 nan 8.360 nan 0.000 0.507 117 L N 1.191 122.395 121.223 -0.032 0.000 2.599 117 L HA 0.104 4.444 4.340 0.001 0.000 0.230 117 L C 0.333 177.230 176.870 0.045 0.000 1.141 117 L CA -0.051 54.792 54.840 0.005 0.000 0.877 117 L CB 0.430 42.495 42.059 0.010 0.000 1.009 117 L HN -0.101 nan 8.230 nan 0.000 0.447 118 V N 0.728 120.673 119.914 0.051 0.000 2.313 118 V HA 0.155 4.276 4.120 0.001 0.000 0.278 118 V C 0.320 176.522 176.094 0.181 0.000 1.017 118 V CA -0.934 61.443 62.300 0.127 0.000 0.823 118 V CB 1.288 33.212 31.823 0.168 0.000 1.010 118 V HN 0.134 nan 8.190 nan 0.000 0.443 119 K N 3.296 123.782 120.400 0.143 0.000 2.451 119 K HA 0.359 4.679 4.320 0.001 0.000 0.280 119 K C 1.248 177.962 176.600 0.191 0.000 1.020 119 K CA 1.171 57.543 56.287 0.142 0.000 1.008 119 K CB 0.323 32.884 32.500 0.102 0.000 0.917 119 K HN 1.054 nan 8.250 nan 0.000 0.478 120 G N 4.617 113.530 108.800 0.187 0.000 2.176 120 G HA2 -0.242 3.719 3.960 0.001 0.000 0.253 120 G HA3 -0.242 3.719 3.960 0.001 0.000 0.253 120 G C 0.638 175.652 174.900 0.190 0.000 0.979 120 G CA 0.332 45.556 45.100 0.207 0.000 0.641 120 G HN 0.933 nan 8.290 nan 0.000 0.530 121 W N 2.219 123.559 121.300 0.067 0.000 2.338 121 W HA -0.185 4.476 4.660 0.001 0.000 0.304 121 W C 1.871 178.400 176.519 0.017 0.000 1.212 121 W CA 2.436 59.812 57.345 0.053 0.000 1.264 121 W CB -0.402 29.079 29.460 0.035 0.000 1.142 121 W HN 0.533 nan 8.180 nan 0.000 0.512 122 D N 1.271 121.673 120.400 0.004 0.000 2.137 122 D HA -0.311 4.330 4.640 0.001 0.000 0.189 122 D C 1.746 177.856 176.300 -0.317 0.000 0.998 122 D CA 2.453 56.388 54.000 -0.109 0.000 0.839 122 D CB -0.947 39.850 40.800 -0.004 0.000 0.962 122 D HN 0.352 nan 8.370 nan 0.000 0.446 123 K N -0.425 119.735 120.400 -0.400 0.000 2.167 123 K HA -0.040 4.281 4.320 0.001 0.000 0.203 123 K C 1.167 177.282 176.600 -0.809 0.000 1.052 123 K CA 0.859 56.737 56.287 -0.681 0.000 0.956 123 K CB -0.136 31.786 32.500 -0.963 0.000 0.735 123 K HN 0.272 nan 8.250 nan 0.000 0.451 124 Y N 0.752 120.889 120.300 -0.272 0.000 2.563 124 Y HA 0.329 4.879 4.550 0.001 0.000 0.250 124 Y C 0.945 176.567 175.900 -0.464 0.000 1.126 124 Y CA -0.926 56.988 58.100 -0.311 0.000 1.231 124 Y CB 0.585 38.954 38.460 -0.151 0.000 1.288 124 Y HN 0.001 nan 8.280 nan 0.000 0.537 125 G N -0.265 108.202 108.800 -0.555 0.000 2.444 125 G HA2 0.375 4.336 3.960 0.001 0.000 0.268 125 G HA3 0.375 4.336 3.960 0.001 0.000 0.268 125 G C -1.494 172.934 174.900 -0.786 0.000 1.203 125 G CA -0.105 44.531 45.100 -0.773 0.000 0.835 125 G HN 0.222 nan 8.290 nan 0.000 0.543 126 Y N 0.744 120.991 120.300 -0.088 0.000 2.332 126 Y HA 0.446 4.996 4.550 0.001 0.000 0.326 126 Y C 0.575 176.649 175.900 0.291 0.000 0.978 126 Y CA -0.604 57.612 58.100 0.194 0.000 1.205 126 Y CB 2.215 40.747 38.460 0.119 0.000 1.131 126 Y HN 0.558 nan 8.280 nan 0.000 0.462 127 S N 1.791 117.772 115.700 0.468 0.000 2.578 127 S HA 0.314 4.784 4.470 0.001 0.000 0.283 127 S C 0.478 175.235 174.600 0.261 0.000 1.195 127 S CA -0.510 57.897 58.200 0.344 0.000 1.050 127 S CB 1.585 64.820 63.200 0.058 0.000 1.012 127 S HN 0.622 nan 8.310 nan 0.000 0.511 128 V N 3.831 123.852 119.914 0.178 0.000 3.174 128 V HA 0.129 4.250 4.120 0.001 0.000 0.254 128 V C 1.329 177.480 176.094 0.094 0.000 1.120 128 V CA 1.006 63.386 62.300 0.132 0.000 1.114 128 V CB 0.015 31.900 31.823 0.103 0.000 0.756 128 V HN 0.986 nan 8.190 nan 0.000 0.467 129 C N 1.575 120.911 119.300 0.059 0.000 2.693 129 C HA 0.343 4.803 4.460 0.001 0.000 0.286 129 C C 0.368 175.360 174.990 0.004 0.000 1.277 129 C CA -0.592 58.442 59.018 0.027 0.000 1.705 129 C CB -1.339 26.401 27.740 -0.001 0.000 1.879 129 C HN 0.537 nan 8.230 nan 0.000 0.607 130 E N 1.865 122.083 120.200 0.030 0.000 2.133 130 E HA 0.212 4.562 4.350 0.001 0.000 0.274 130 E C -1.588 175.104 176.600 0.154 0.000 0.930 130 E CA -1.803 54.634 56.400 0.061 0.000 0.770 130 E CB 0.933 30.611 29.700 -0.036 0.000 1.104 130 E HN 0.114 nan 8.360 nan 0.000 0.403 131 P HA -0.278 nan 4.420 nan 0.000 0.220 131 P C 0.519 177.843 177.300 0.039 0.000 0.849 131 P CA 1.666 64.781 63.100 0.024 0.000 1.048 131 P CB 0.330 32.007 31.700 -0.038 0.000 0.727 132 E N -2.576 117.649 120.200 0.041 0.000 2.463 132 E HA 0.125 4.475 4.350 0.001 0.000 0.193 132 E C 1.625 178.265 176.600 0.066 0.000 1.041 132 E CA -0.258 56.154 56.400 0.019 0.000 0.879 132 E CB -0.618 29.057 29.700 -0.042 0.000 0.997 132 E HN 0.307 nan 8.360 nan 0.000 0.478 133 F N 1.654 121.613 119.950 0.015 0.000 2.293 133 F HA -0.083 4.445 4.527 0.001 0.000 0.300 133 F C 2.091 177.929 175.800 0.062 0.000 1.086 133 F CA 0.969 58.998 58.000 0.047 0.000 1.375 133 F CB 0.207 39.262 39.000 0.092 0.000 1.045 133 F HN 0.036 nan 8.300 nan 0.000 0.516 134 A N -1.599 121.356 122.820 0.224 0.000 2.206 134 A HA -0.036 4.285 4.320 0.001 0.000 0.211 134 A C 2.059 179.672 177.584 0.049 0.000 1.158 134 A CA 1.621 53.738 52.037 0.133 0.000 0.761 134 A CB -0.862 18.194 19.000 0.093 0.000 0.801 134 A HN 0.314 nan 8.150 nan 0.000 0.473 135 T N -0.756 113.812 114.554 0.023 0.000 2.976 135 T HA -0.013 4.337 4.350 0.001 0.000 0.257 135 T C 1.958 176.640 174.700 -0.030 0.000 1.051 135 T CA 1.269 63.359 62.100 -0.016 0.000 1.141 135 T CB -0.039 68.812 68.868 -0.029 0.000 0.881 135 T HN 0.643 nan 8.240 nan 0.000 0.461 136 K N 0.699 121.072 120.400 -0.045 0.000 2.097 136 K HA -0.064 4.257 4.320 0.001 0.000 0.206 136 K C 2.172 178.793 176.600 0.035 0.000 1.049 136 K CA 1.032 57.297 56.287 -0.037 0.000 0.933 136 K CB -0.219 32.180 32.500 -0.169 0.000 0.717 136 K HN 0.164 nan 8.250 nan 0.000 0.442 137 L N 1.684 122.925 121.223 0.030 0.000 2.072 137 L HA -0.065 4.275 4.340 0.001 0.000 0.205 137 L C 2.503 179.274 176.870 -0.165 0.000 1.079 137 L CA 1.434 56.194 54.840 -0.132 0.000 0.752 137 L CB -0.585 41.441 42.059 -0.056 0.000 0.906 137 L HN 0.147 nan 8.230 nan 0.000 0.436 138 R N -0.164 120.274 120.500 -0.103 0.000 2.096 138 R HA -0.230 4.111 4.340 0.001 0.000 0.240 138 R C 2.111 178.352 176.300 -0.098 0.000 1.139 138 R CA 2.304 58.333 56.100 -0.120 0.000 0.952 138 R CB -0.247 30.006 30.300 -0.078 0.000 0.854 138 R HN 0.555 nan 8.270 nan 0.000 0.436 139 E N -0.097 120.069 120.200 -0.057 0.000 2.047 139 E HA -0.224 4.126 4.350 0.001 0.000 0.191 139 E C 2.026 178.622 176.600 -0.006 0.000 0.987 139 E CA 1.318 57.705 56.400 -0.021 0.000 0.799 139 E CB -0.067 29.628 29.700 -0.008 0.000 0.752 139 E HN 0.148 nan 8.360 nan 0.000 0.449 140 K N 1.326 121.702 120.400 -0.040 0.000 2.057 140 K HA -0.125 4.196 4.320 0.001 0.000 0.207 140 K C 1.930 178.524 176.600 -0.010 0.000 1.049 140 K CA 1.008 57.274 56.287 -0.034 0.000 0.931 140 K CB -0.200 32.190 32.500 -0.182 0.000 0.714 140 K HN 0.038 nan 8.250 nan 0.000 0.440 141 L N 0.547 121.709 121.223 -0.101 0.000 2.201 141 L HA -0.145 4.195 4.340 0.001 0.000 0.212 141 L C 2.076 179.041 176.870 0.158 0.000 1.105 141 L CA 1.285 56.109 54.840 -0.026 0.000 0.775 141 L CB -0.259 41.660 42.059 -0.235 0.000 0.913 141 L HN 0.309 nan 8.230 nan 0.000 0.440 142 E N -0.517 119.740 120.200 0.096 0.000 2.076 142 E HA -0.131 4.219 4.350 0.001 0.000 0.190 142 E C 2.099 178.817 176.600 0.196 0.000 0.979 142 E CA 1.352 57.851 56.400 0.166 0.000 0.807 142 E CB -0.001 29.747 29.700 0.080 0.000 0.761 142 E HN 0.446 nan 8.360 nan 0.000 0.454 143 S N 0.317 116.119 115.700 0.170 0.000 2.603 143 S HA 0.003 4.474 4.470 0.001 0.000 0.220 143 S C 0.417 175.150 174.600 0.222 0.000 0.967 143 S CA -0.462 57.833 58.200 0.157 0.000 0.920 143 S CB -0.282 62.987 63.200 0.114 0.000 0.773 143 S HN 0.071 nan 8.310 nan 0.000 0.529 144 F N 3.607 123.629 119.950 0.119 0.000 2.557 144 F HA 0.238 4.765 4.527 0.001 0.000 0.384 144 F C 1.438 177.288 175.800 0.083 0.000 1.057 144 F CA -0.654 57.413 58.000 0.112 0.000 1.169 144 F CB 0.583 39.691 39.000 0.180 0.000 1.070 144 F HN 0.098 nan 8.300 nan 0.000 0.554 145 Q N 3.896 123.490 119.800 -0.343 0.000 2.212 145 Q HA 0.264 4.605 4.340 0.001 0.000 0.199 145 Q C 0.969 176.687 176.000 -0.470 0.000 0.950 145 Q CA 0.876 56.497 55.803 -0.303 0.000 0.863 145 Q CB 0.005 28.605 28.738 -0.230 0.000 0.944 145 Q HN 0.860 nan 8.270 nan 0.000 0.465 146 G N -1.850 106.355 108.800 -0.992 0.000 2.350 146 G HA2 0.412 4.373 3.960 0.001 0.000 0.304 146 G HA3 0.412 4.373 3.960 0.001 0.000 0.304 146 G C -0.572 173.802 174.900 -0.877 0.000 1.421 146 G CA 0.036 44.646 45.100 -0.817 0.000 0.934 146 G HN 0.434 nan 8.290 nan 0.000 0.632 147 G N -0.557 108.027 108.800 -0.360 0.000 2.278 147 G HA2 0.367 4.328 3.960 0.001 0.000 0.265 147 G HA3 0.367 4.328 3.960 0.001 0.000 0.265 147 G C -0.937 174.081 174.900 0.198 0.000 1.329 147 G CA -0.165 44.934 45.100 -0.002 0.000 1.017 147 G HN 1.226 nan 8.290 nan 0.000 0.472 148 N N -0.386 118.476 118.700 0.270 0.000 2.473 148 N HA 0.690 5.431 4.740 0.001 0.000 0.291 148 N C -0.519 175.072 175.510 0.134 0.000 1.083 148 N CA -0.460 52.707 53.050 0.196 0.000 0.951 148 N CB 2.048 40.628 38.487 0.154 0.000 1.164 148 N HN 0.498 nan 8.380 nan 0.000 0.480 149 I N 1.148 121.749 120.570 0.051 0.000 2.498 149 I HA 0.545 4.715 4.170 0.001 0.000 0.290 149 I C -0.710 175.433 176.117 0.044 0.000 1.032 149 I CA -0.949 60.345 61.300 -0.009 0.000 1.073 149 I CB 1.927 39.872 38.000 -0.091 0.000 1.251 149 I HN 0.500 nan 8.210 nan 0.000 0.426 150 A N 7.495 130.371 122.820 0.094 0.000 2.304 150 A HA 0.787 5.108 4.320 0.001 0.000 0.314 150 A C -1.017 176.717 177.584 0.251 0.000 1.187 150 A CA -0.463 51.688 52.037 0.190 0.000 0.810 150 A CB 1.165 20.290 19.000 0.208 0.000 1.183 150 A HN 0.746 nan 8.150 nan 0.000 0.487 151 I N 2.566 123.213 120.570 0.128 0.000 2.498 151 I HA 0.793 4.963 4.170 0.001 0.000 0.290 151 I C 0.112 175.942 176.117 -0.479 0.000 1.032 151 I CA 0.130 61.404 61.300 -0.042 0.000 1.073 151 I CB 1.889 39.873 38.000 -0.026 0.000 1.251 151 I HN 0.897 nan 8.210 nan 0.000 0.426 152 G N 4.129 112.484 108.800 -0.742 0.000 2.340 152 G HA2 0.465 4.425 3.960 0.001 0.000 0.299 152 G HA3 0.465 4.425 3.960 0.001 0.000 0.299 152 G C -1.763 172.814 174.900 -0.539 0.000 1.291 152 G CA -0.104 44.318 45.100 -1.130 0.000 0.841 152 G HN 0.750 nan 8.290 nan 0.000 0.500 153 S N -1.286 114.243 115.700 -0.285 0.000 2.599 153 S HA 0.862 5.333 4.470 0.001 0.000 0.294 153 S C 0.359 175.090 174.600 0.218 0.000 1.094 153 S CA -0.009 58.215 58.200 0.041 0.000 0.931 153 S CB 1.700 64.932 63.200 0.054 0.000 1.093 153 S HN 1.779 nan 8.310 nan 0.000 0.488 154 G N 0.556 109.499 108.800 0.239 0.000 2.528 154 G HA2 0.611 4.571 3.960 0.001 0.000 0.289 154 G HA3 0.611 4.571 3.960 0.001 0.000 0.289 154 G C -3.007 172.021 174.900 0.212 0.000 1.192 154 G CA -1.924 43.332 45.100 0.260 0.000 0.921 154 G HN 0.557 nan 8.290 nan 0.000 0.512 155 P HA 0.125 nan 4.420 nan 0.000 0.269 155 P C -0.828 176.541 177.300 0.114 0.000 1.215 155 P CA -0.304 62.818 63.100 0.037 0.000 0.780 155 P CB 0.483 32.068 31.700 -0.191 0.000 0.898 156 F N 2.681 122.564 119.950 -0.112 0.000 2.361 156 F HA 0.324 4.852 4.527 0.001 0.000 0.364 156 F C -0.653 175.095 175.800 -0.087 0.000 1.120 156 F CA -1.810 56.183 58.000 -0.012 0.000 1.102 156 F CB -0.165 38.798 39.000 -0.062 0.000 1.183 156 F HN 0.222 nan 8.300 nan 0.000 0.476 157 Y N 5.057 125.465 120.300 0.180 0.000 2.724 157 Y HA 0.145 4.695 4.550 0.001 0.000 0.354 157 Y C 0.973 176.708 175.900 -0.275 0.000 1.270 157 Y CA -0.037 58.050 58.100 -0.021 0.000 1.902 157 Y CB -0.472 38.058 38.460 0.118 0.000 1.981 157 Y HN 0.557 nan 8.280 nan 0.000 0.428 158 Q N 1.064 120.339 119.800 -0.876 0.000 2.361 158 Q HA 0.266 4.607 4.340 0.001 0.000 0.276 158 Q C 0.591 176.242 176.000 -0.581 0.000 1.022 158 Q CA -0.121 54.999 55.803 -1.139 0.000 0.898 158 Q CB 0.725 28.651 28.738 -1.352 0.000 1.246 158 Q HN 0.725 nan 8.270 nan 0.000 0.410 159 G N 1.620 110.197 108.800 -0.371 0.000 2.448 159 G HA2 0.277 4.238 3.960 0.001 0.000 0.285 159 G HA3 0.277 4.238 3.960 0.001 0.000 0.285 159 G C -0.671 173.924 174.900 -0.508 0.000 1.176 159 G CA -0.229 44.744 45.100 -0.212 0.000 0.852 159 G HN 0.938 nan 8.290 nan 0.000 0.530 160 H N -0.529 118.550 119.070 0.014 0.000 3.400 160 H HA 0.211 4.768 4.556 0.001 0.000 0.251 160 H C -0.067 175.269 175.328 0.012 0.000 1.040 160 H CA -0.181 55.866 56.048 -0.001 0.000 1.175 160 H CB 0.850 30.602 29.762 -0.017 0.000 1.487 160 H HN 0.480 nan 8.280 nan 0.000 0.505 161 N N 1.316 120.081 118.700 0.109 0.000 2.287 161 N HA 0.220 4.960 4.740 0.001 0.000 0.289 161 N C -2.856 172.687 175.510 0.056 0.000 1.066 161 N CA -1.618 51.476 53.050 0.073 0.000 0.841 161 N CB 2.903 41.429 38.487 0.065 0.000 1.599 161 N HN -0.094 nan 8.380 nan 0.000 0.476 162 P HA 0.154 nan 4.420 nan 0.000 0.275 162 P C -1.021 176.302 177.300 0.039 0.000 1.266 162 P CA -0.237 62.885 63.100 0.036 0.000 0.793 162 P CB 1.016 32.729 31.700 0.021 0.000 1.074 163 K N 0.755 121.173 120.400 0.030 0.000 2.118 163 K HA 0.431 4.751 4.320 0.001 0.000 0.267 163 K C -2.176 174.431 176.600 0.012 0.000 0.991 163 K CA -1.775 54.530 56.287 0.029 0.000 0.916 163 K CB -0.204 32.314 32.500 0.030 0.000 1.041 163 K HN 0.337 nan 8.250 nan 0.000 0.455 164 P HA 0.002 nan 4.420 nan 0.000 0.269 164 P C -0.794 176.491 177.300 -0.025 0.000 1.209 164 P CA -0.094 63.000 63.100 -0.009 0.000 0.776 164 P CB 0.434 32.130 31.700 -0.007 0.000 0.876 165 K N 2.184 122.557 120.400 -0.044 0.000 2.333 165 K HA 0.265 4.585 4.320 0.001 0.000 0.241 165 K C 0.008 176.555 176.600 -0.088 0.000 1.193 165 K CA -0.185 56.066 56.287 -0.060 0.000 1.142 165 K CB -0.350 32.114 32.500 -0.060 0.000 1.731 165 K HN 0.303 nan 8.250 nan 0.000 0.344 166 V N -1.262 118.592 119.914 -0.099 0.000 3.141 166 V HA 0.617 4.738 4.120 0.001 0.000 0.312 166 V C -2.659 173.269 176.094 -0.276 0.000 1.157 166 V CA -2.659 59.534 62.300 -0.180 0.000 1.041 166 V CB 1.306 33.078 31.823 -0.087 0.000 1.071 166 V HN 0.179 nan 8.190 nan 0.000 0.441 167 P HA 0.204 nan 4.420 nan 0.000 0.269 167 P C -0.490 176.658 177.300 -0.254 0.000 1.217 167 P CA -0.155 62.620 63.100 -0.541 0.000 0.783 167 P CB 0.145 31.254 31.700 -0.985 0.000 0.898 168 E N 0.707 120.850 120.200 -0.096 0.000 2.413 168 E HA -0.009 4.341 4.350 0.001 0.000 0.263 168 E C -0.323 176.367 176.600 0.150 0.000 1.015 168 E CA -0.274 56.141 56.400 0.025 0.000 0.916 168 E CB -0.492 29.218 29.700 0.016 0.000 0.947 168 E HN 0.349 nan 8.360 nan 0.000 0.440 169 N N 0.384 119.178 118.700 0.157 0.000 2.828 169 N HA -0.235 4.505 4.740 0.001 0.000 0.248 169 N C -0.190 175.486 175.510 0.277 0.000 1.044 169 N CA 0.941 54.099 53.050 0.181 0.000 0.851 169 N CB -1.534 37.034 38.487 0.136 0.000 1.136 169 N HN 0.574 nan 8.380 nan 0.000 0.572 170 F N 0.099 120.077 119.950 0.046 0.000 2.615 170 F HA 0.127 4.655 4.527 0.001 0.000 0.297 170 F C 0.639 176.497 175.800 0.098 0.000 1.124 170 F CA 0.211 58.260 58.000 0.081 0.000 1.451 170 F CB 0.643 39.703 39.000 0.099 0.000 1.103 170 F HN -0.121 nan 8.300 nan 0.000 0.569 171 V N 2.318 122.364 119.914 0.220 0.000 2.376 171 V HA 0.281 4.402 4.120 0.001 0.000 0.287 171 V C -2.048 174.104 176.094 0.096 0.000 1.015 171 V CA -1.672 60.709 62.300 0.135 0.000 0.834 171 V CB 1.082 32.971 31.823 0.111 0.000 1.001 171 V HN -0.114 nan 8.190 nan 0.000 0.428 172 P HA 0.389 nan 4.420 nan 0.000 0.278 172 P C -0.994 176.353 177.300 0.077 0.000 1.258 172 P CA -0.696 62.440 63.100 0.059 0.000 0.811 172 P CB 1.017 32.736 31.700 0.032 0.000 1.063 173 N N -0.030 118.716 118.700 0.076 0.000 2.425 173 N HA 0.500 5.240 4.740 0.001 0.000 0.268 173 N C -0.641 174.922 175.510 0.088 0.000 0.991 173 N CA -0.157 52.953 53.050 0.101 0.000 0.931 173 N CB 1.555 40.096 38.487 0.090 0.000 1.130 173 N HN 0.473 nan 8.380 nan 0.000 0.493 174 A N 1.249 124.148 122.820 0.132 0.000 2.401 174 A HA 0.431 4.751 4.320 0.001 0.000 0.310 174 A C 0.175 177.866 177.584 0.179 0.000 1.075 174 A CA -0.638 51.485 52.037 0.143 0.000 0.746 174 A CB 1.312 20.399 19.000 0.144 0.000 1.277 174 A HN 0.498 nan 8.150 nan 0.000 0.425 175 D N 0.254 120.725 120.400 0.117 0.000 2.333 175 D HA 0.101 4.742 4.640 0.001 0.000 0.208 175 D C 0.186 176.573 176.300 0.145 0.000 0.984 175 D CA 1.169 55.228 54.000 0.098 0.000 0.873 175 D CB 0.676 41.514 40.800 0.064 0.000 0.935 175 D HN 0.323 nan 8.370 nan 0.000 0.521 176 S N -1.032 114.740 115.700 0.119 0.000 2.536 176 S HA 0.553 5.023 4.470 0.001 0.000 0.287 176 S C 0.444 174.929 174.600 -0.192 0.000 1.101 176 S CA -0.512 57.701 58.200 0.022 0.000 0.950 176 S CB 1.920 65.128 63.200 0.013 0.000 1.056 176 S HN 0.022 nan 8.310 nan 0.000 0.481 177 A N 2.227 124.713 122.820 -0.556 0.000 1.975 177 A HA 0.256 4.577 4.320 0.001 0.000 0.215 177 A C 0.921 178.065 177.584 -0.732 0.000 1.170 177 A CA 0.402 51.776 52.037 -1.105 0.000 0.656 177 A CB -0.198 17.559 19.000 -2.072 0.000 0.821 177 A HN 0.740 nan 8.150 nan 0.000 0.449 178 C N -0.510 118.486 119.300 -0.506 0.000 3.233 178 C HA 0.497 4.957 4.460 0.001 0.000 0.299 178 C C 0.794 175.704 174.990 -0.134 0.000 1.060 178 C CA -0.547 58.303 59.018 -0.280 0.000 1.382 178 C CB -0.291 27.320 27.740 -0.215 0.000 1.828 178 C HN 0.706 nan 8.230 nan 0.000 0.530 179 E N 1.570 121.704 120.200 -0.110 0.000 2.364 179 E HA 0.108 4.458 4.350 0.001 0.000 0.196 179 E C 2.016 178.608 176.600 -0.014 0.000 0.990 179 E CA 0.898 57.273 56.400 -0.042 0.000 0.886 179 E CB 0.203 29.869 29.700 -0.055 0.000 0.866 179 E HN 0.911 nan 8.360 nan 0.000 0.493 180 G N 2.060 110.837 108.800 -0.039 0.000 2.476 180 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 180 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 180 G C -0.836 174.117 174.900 0.089 0.000 1.164 180 G CA 0.666 45.775 45.100 0.016 0.000 0.768 180 G HN 0.296 nan 8.290 nan 0.000 0.560 181 P HA -0.020 nan 4.420 nan 0.000 0.221 181 P C 2.009 179.368 177.300 0.099 0.000 1.145 181 P CA 0.451 63.590 63.100 0.065 0.000 0.795 181 P CB -0.014 31.713 31.700 0.044 0.000 0.775 182 V N -1.095 118.901 119.914 0.137 0.000 2.358 182 V HA -0.222 3.898 4.120 0.001 0.000 0.246 182 V C 2.130 178.409 176.094 0.309 0.000 1.047 182 V CA 1.547 63.957 62.300 0.184 0.000 1.035 182 V CB -1.188 30.753 31.823 0.197 0.000 0.658 182 V HN 0.026 nan 8.190 nan 0.000 0.452 183 F N 1.427 121.502 119.950 0.208 0.000 2.075 183 F HA -0.179 4.348 4.527 0.001 0.000 0.297 183 F C 2.407 178.301 175.800 0.156 0.000 1.113 183 F CA 2.095 60.244 58.000 0.249 0.000 1.218 183 F CB -0.551 38.503 39.000 0.089 0.000 0.984 183 F HN 0.229 nan 8.300 nan 0.000 0.472 184 E N -0.255 119.960 120.200 0.025 0.000 2.070 184 E HA -0.287 4.063 4.350 0.001 0.000 0.197 184 E C 2.282 178.841 176.600 -0.068 0.000 1.004 184 E CA 2.018 58.359 56.400 -0.098 0.000 0.805 184 E CB -0.314 29.375 29.700 -0.019 0.000 0.744 184 E HN 0.467 nan 8.360 nan 0.000 0.451 185 M N 0.546 120.147 119.600 0.000 0.000 2.175 185 M HA -0.146 4.334 4.480 0.001 0.000 0.264 185 M C 2.619 178.925 176.300 0.010 0.000 1.063 185 M CA 1.470 56.771 55.300 0.002 0.000 1.119 185 M CB -0.338 32.274 32.600 0.020 0.000 1.377 185 M HN 0.115 nan 8.290 nan 0.000 0.415 186 S N 1.037 116.756 115.700 0.032 0.000 2.368 186 S HA -0.102 4.369 4.470 0.001 0.000 0.225 186 S C 1.844 176.462 174.600 0.029 0.000 1.030 186 S CA 1.022 59.243 58.200 0.034 0.000 0.999 186 S CB -0.902 62.337 63.200 0.065 0.000 0.844 186 S HN 0.474 nan 8.310 nan 0.000 0.459 187 L N 0.277 121.466 121.223 -0.056 0.000 2.056 187 L HA -0.020 4.320 4.340 0.001 0.000 0.207 187 L C 2.950 179.829 176.870 0.015 0.000 1.078 187 L CA 1.430 56.225 54.840 -0.075 0.000 0.749 187 L CB -0.594 41.309 42.059 -0.261 0.000 0.901 187 L HN 0.351 nan 8.230 nan 0.000 0.433 188 M N -0.485 119.111 119.600 -0.007 0.000 2.086 188 M HA -0.234 4.247 4.480 0.001 0.000 0.261 188 M C 2.332 178.665 176.300 0.056 0.000 1.067 188 M CA 1.771 57.080 55.300 0.015 0.000 1.116 188 M CB -0.406 32.182 32.600 -0.019 0.000 1.348 188 M HN 0.221 nan 8.290 nan 0.000 0.407 189 L N -1.034 120.229 121.223 0.067 0.000 2.079 189 L HA -0.273 4.068 4.340 0.001 0.000 0.210 189 L C 2.523 179.555 176.870 0.270 0.000 1.081 189 L CA 1.573 56.492 54.840 0.132 0.000 0.752 189 L CB -0.925 41.242 42.059 0.181 0.000 0.896 189 L HN 0.399 nan 8.230 nan 0.000 0.433 190 H N -0.246 118.909 119.070 0.141 0.000 2.326 190 H HA -0.110 4.446 4.556 0.001 0.000 0.301 190 H C 2.130 177.528 175.328 0.117 0.000 1.081 190 H CA 1.755 57.890 56.048 0.146 0.000 1.334 190 H CB -0.146 29.662 29.762 0.076 0.000 1.385 190 H HN 0.224 nan 8.280 nan 0.000 0.504 191 G N -0.976 107.933 108.800 0.182 0.000 2.422 191 G HA2 -0.334 3.627 3.960 0.001 0.000 0.218 191 G HA3 -0.334 3.627 3.960 0.001 0.000 0.218 191 G C 1.616 176.532 174.900 0.027 0.000 1.146 191 G CA 0.904 46.059 45.100 0.092 0.000 0.769 191 G HN 0.550 nan 8.290 nan 0.000 0.547 192 Y N 0.721 120.944 120.300 -0.127 0.000 2.163 192 Y HA 0.005 4.556 4.550 0.001 0.000 0.288 192 Y C 2.242 177.965 175.900 -0.295 0.000 1.136 192 Y CA 1.299 59.242 58.100 -0.261 0.000 1.147 192 Y CB -0.304 37.898 38.460 -0.431 0.000 0.987 192 Y HN 0.141 nan 8.280 nan 0.000 0.509 193 F N 0.727 120.614 119.950 -0.104 0.000 2.407 193 F HA -0.015 4.512 4.527 0.001 0.000 0.299 193 F C 2.422 178.074 175.800 -0.246 0.000 1.097 193 F CA 1.400 59.269 58.000 -0.218 0.000 1.422 193 F CB -0.540 38.409 39.000 -0.084 0.000 1.067 193 F HN 0.025 nan 8.300 nan 0.000 0.539 194 K N 0.909 121.248 120.400 -0.101 0.000 2.062 194 K HA -0.140 4.181 4.320 0.001 0.000 0.205 194 K C 1.900 178.438 176.600 -0.104 0.000 1.051 194 K CA 1.185 57.398 56.287 -0.124 0.000 0.941 194 K CB -0.057 32.367 32.500 -0.126 0.000 0.719 194 K HN 0.101 nan 8.250 nan 0.000 0.440 195 K N 0.388 120.709 120.400 -0.132 0.000 2.360 195 K HA -0.093 4.228 4.320 0.001 0.000 0.201 195 K C 1.124 177.625 176.600 -0.165 0.000 1.046 195 K CA 1.047 57.254 56.287 -0.134 0.000 0.945 195 K CB 0.160 32.577 32.500 -0.138 0.000 0.750 195 K HN 0.134 nan 8.250 nan 0.000 0.464 196 K N -0.430 119.845 120.400 -0.208 0.000 2.373 196 K HA 0.094 4.415 4.320 0.001 0.000 0.202 196 K C 0.413 176.960 176.600 -0.089 0.000 1.025 196 K CA 0.278 56.461 56.287 -0.174 0.000 1.115 196 K CB 1.114 33.461 32.500 -0.254 0.000 0.858 196 K HN 0.184 nan 8.250 nan 0.000 0.525 197 G N 2.169 110.924 108.800 -0.075 0.000 2.323 197 G HA2 -0.282 3.678 3.960 0.001 0.000 0.292 197 G HA3 -0.282 3.678 3.960 0.001 0.000 0.292 197 G C 0.407 175.279 174.900 -0.047 0.000 1.040 197 G CA 0.419 45.487 45.100 -0.054 0.000 0.942 197 G HN 0.333 nan 8.290 nan 0.000 0.506 198 M N -0.649 118.930 119.600 -0.036 0.000 2.347 198 M HA 0.328 4.808 4.480 0.001 0.000 0.302 198 M C 2.218 178.453 176.300 -0.109 0.000 1.051 198 M CA -0.156 55.113 55.300 -0.052 0.000 0.988 198 M CB 0.221 32.830 32.600 0.016 0.000 1.475 198 M HN 0.274 nan 8.290 nan 0.000 0.530 199 L N 0.327 121.494 121.223 -0.092 0.000 2.129 199 L HA -0.268 4.073 4.340 0.001 0.000 0.212 199 L C 1.553 178.363 176.870 -0.100 0.000 1.087 199 L CA 1.236 56.008 54.840 -0.114 0.000 0.757 199 L CB -0.623 41.376 42.059 -0.100 0.000 0.896 199 L HN 0.397 nan 8.230 nan 0.000 0.434 200 D N -0.154 120.200 120.400 -0.075 0.000 2.289 200 D HA -0.086 4.555 4.640 0.001 0.000 0.207 200 D C 1.854 178.093 176.300 -0.102 0.000 0.966 200 D CA 0.822 54.803 54.000 -0.030 0.000 0.868 200 D CB 0.191 40.987 40.800 -0.006 0.000 0.943 200 D HN 0.455 nan 8.370 nan 0.000 0.514 201 K N 0.318 120.587 120.400 -0.218 0.000 2.323 201 K HA 0.130 4.451 4.320 0.001 0.000 0.197 201 K C 0.476 176.733 176.600 -0.572 0.000 1.043 201 K CA 0.191 56.298 56.287 -0.300 0.000 0.997 201 K CB 1.423 33.789 32.500 -0.223 0.000 0.807 201 K HN -0.112 nan 8.250 nan 0.000 0.497 202 V N 2.933 122.462 119.914 -0.642 0.000 2.459 202 V HA 0.188 4.309 4.120 0.001 0.000 0.295 202 V C -0.760 174.922 176.094 -0.686 0.000 1.029 202 V CA -0.900 61.002 62.300 -0.664 0.000 0.874 202 V CB 1.411 32.782 31.823 -0.754 0.000 0.985 202 V HN 0.234 nan 8.190 nan 0.000 0.438 203 H N 3.575 122.605 119.070 -0.066 0.000 2.646 203 H HA 0.493 5.049 4.556 0.001 0.000 0.328 203 H C -0.831 174.480 175.328 -0.030 0.000 0.998 203 H CA -0.544 55.482 56.048 -0.036 0.000 1.225 203 H CB 1.866 31.614 29.762 -0.024 0.000 1.457 203 H HN 0.358 nan 8.280 nan 0.000 0.505 204 V N 3.886 123.836 119.914 0.061 0.000 2.407 204 V HA 0.242 4.362 4.120 0.001 0.000 0.278 204 V C 0.499 176.572 176.094 -0.035 0.000 1.037 204 V CA -0.312 61.994 62.300 0.010 0.000 0.900 204 V CB 1.558 33.385 31.823 0.007 0.000 0.983 204 V HN 0.761 nan 8.190 nan 0.000 0.459 205 T N 4.404 118.938 114.554 -0.033 0.000 2.807 205 T HA 0.555 4.905 4.350 0.001 0.000 0.279 205 T C -0.383 174.275 174.700 -0.071 0.000 0.993 205 T CA -0.386 61.676 62.100 -0.063 0.000 0.970 205 T CB 1.754 70.602 68.868 -0.034 0.000 0.950 205 T HN 0.323 nan 8.240 nan 0.000 0.441 206 V N 4.899 124.710 119.914 -0.171 0.000 2.427 206 V HA 0.655 4.776 4.120 0.001 0.000 0.286 206 V C -0.541 175.482 176.094 -0.120 0.000 1.034 206 V CA -0.820 61.354 62.300 -0.211 0.000 0.893 206 V CB 0.634 32.239 31.823 -0.363 0.000 0.982 206 V HN 0.843 nan 8.190 nan 0.000 0.452 207 F N 2.557 122.417 119.950 -0.151 0.000 2.532 207 F HA 0.872 5.399 4.527 0.001 0.000 0.321 207 F C -0.210 175.609 175.800 0.032 0.000 1.089 207 F CA -0.826 57.111 58.000 -0.105 0.000 0.926 207 F CB 1.990 40.860 39.000 -0.218 0.000 1.168 207 F HN 0.353 nan 8.300 nan 0.000 0.459 208 S N 2.907 118.763 115.700 0.260 0.000 2.521 208 S HA 0.509 4.979 4.470 0.001 0.000 0.295 208 S C -1.951 172.847 174.600 0.331 0.000 1.098 208 S CA -1.836 56.520 58.200 0.260 0.000 0.999 208 S CB 1.794 65.163 63.200 0.282 0.000 1.034 208 S HN 0.559 nan 8.310 nan 0.000 0.483 209 P HA 0.123 nan 4.420 nan 0.000 0.222 209 P C 0.762 178.137 177.300 0.125 0.000 1.147 209 P CA 0.917 64.143 63.100 0.209 0.000 0.790 209 P CB 0.061 31.855 31.700 0.158 0.000 0.780 210 G N -0.129 108.749 108.800 0.129 0.000 3.253 210 G HA2 0.279 4.239 3.960 0.001 0.000 0.175 210 G HA3 0.279 4.239 3.960 0.001 0.000 0.175 210 G C -1.170 173.803 174.900 0.122 0.000 1.098 210 G CA -0.410 44.733 45.100 0.072 0.000 0.790 210 G HN 0.177 nan 8.290 nan 0.000 0.648 211 E N -0.304 119.973 120.200 0.128 0.000 2.283 211 E HA 0.340 4.691 4.350 0.001 0.000 0.278 211 E C -1.280 175.450 176.600 0.216 0.000 1.027 211 E CA -0.694 55.831 56.400 0.208 0.000 0.843 211 E CB 1.266 31.060 29.700 0.157 0.000 1.062 211 E HN 0.304 nan 8.360 nan 0.000 0.401 212 Y N 5.213 125.569 120.300 0.093 0.000 2.511 212 Y HA 0.068 4.619 4.550 0.001 0.000 0.332 212 Y C 0.559 176.442 175.900 -0.028 0.000 1.177 212 Y CA -0.227 57.897 58.100 0.039 0.000 1.422 212 Y CB 0.254 38.744 38.460 0.051 0.000 1.271 212 Y HN 0.673 nan 8.280 nan 0.000 0.550 213 L N 4.710 125.687 121.223 -0.410 0.000 3.795 213 L HA -0.339 4.001 4.340 0.001 0.000 0.489 213 L C 1.325 178.076 176.870 -0.197 0.000 1.259 213 L CA 0.753 55.347 54.840 -0.410 0.000 0.765 213 L CB -2.023 39.652 42.059 -0.639 0.000 1.519 213 L HN 0.776 nan 8.230 nan 0.000 0.842 214 S N -1.409 114.229 115.700 -0.102 0.000 2.493 214 S HA -0.154 4.317 4.470 0.001 0.000 0.243 214 S C 1.332 175.898 174.600 -0.057 0.000 0.991 214 S CA 1.099 59.269 58.200 -0.050 0.000 0.957 214 S CB -0.208 62.987 63.200 -0.009 0.000 0.756 214 S HN 0.765 nan 8.310 nan 0.000 0.521 215 D N 1.112 121.462 120.400 -0.083 0.000 2.347 215 D HA 0.069 4.709 4.640 0.001 0.000 0.215 215 D C 0.628 176.884 176.300 -0.074 0.000 0.976 215 D CA 0.118 54.076 54.000 -0.071 0.000 0.884 215 D CB -0.414 40.341 40.800 -0.076 0.000 0.915 215 D HN 0.425 nan 8.370 nan 0.000 0.526 216 L N 1.004 122.170 121.223 -0.095 0.000 2.399 216 L HA 0.272 4.613 4.340 0.001 0.000 0.265 216 L C 1.025 177.858 176.870 -0.063 0.000 1.089 216 L CA -0.974 53.812 54.840 -0.091 0.000 0.802 216 L CB 1.350 43.328 42.059 -0.135 0.000 1.180 216 L HN -0.049 nan 8.230 nan 0.000 0.454 217 S N 0.706 116.374 115.700 -0.052 0.000 2.596 217 S HA 0.194 4.664 4.470 0.001 0.000 0.260 217 S C -2.008 172.571 174.600 -0.034 0.000 1.336 217 S CA -0.946 57.233 58.200 -0.035 0.000 0.993 217 S CB 0.663 63.846 63.200 -0.029 0.000 0.923 217 S HN 0.403 nan 8.310 nan 0.000 0.567 218 P HA -0.055 nan 4.420 nan 0.000 0.217 218 P C 1.356 178.643 177.300 -0.022 0.000 1.150 218 P CA 1.302 64.393 63.100 -0.015 0.000 0.832 218 P CB -0.151 31.546 31.700 -0.004 0.000 0.787 219 N N -0.813 117.874 118.700 -0.022 0.000 2.084 219 N HA -0.136 4.605 4.740 0.001 0.000 0.190 219 N C 1.647 177.135 175.510 -0.037 0.000 1.030 219 N CA 1.847 54.884 53.050 -0.023 0.000 0.849 219 N CB -0.714 37.763 38.487 -0.018 0.000 1.012 219 N HN -0.149 nan 8.380 nan 0.000 0.423 220 S N -0.149 115.522 115.700 -0.048 0.000 2.399 220 S HA -0.038 4.433 4.470 0.001 0.000 0.231 220 S C 1.833 176.371 174.600 -0.103 0.000 1.022 220 S CA 0.787 58.944 58.200 -0.072 0.000 0.983 220 S CB -0.208 62.944 63.200 -0.080 0.000 0.803 220 S HN 0.384 nan 8.310 nan 0.000 0.480 221 R N 0.962 121.409 120.500 -0.088 0.000 2.090 221 R HA 0.067 4.407 4.340 0.001 0.000 0.228 221 R C 2.254 178.516 176.300 -0.065 0.000 1.110 221 R CA 0.918 56.964 56.100 -0.090 0.000 0.973 221 R CB -0.128 30.142 30.300 -0.051 0.000 0.869 221 R HN 0.328 nan 8.270 nan 0.000 0.440 222 K N 0.367 120.741 120.400 -0.043 0.000 2.097 222 K HA -0.045 4.276 4.320 0.001 0.000 0.205 222 K C 2.107 178.685 176.600 -0.037 0.000 1.050 222 K CA 1.217 57.486 56.287 -0.030 0.000 0.938 222 K CB -0.064 32.425 32.500 -0.018 0.000 0.718 222 K HN 0.113 nan 8.250 nan 0.000 0.442 223 A N 1.027 123.817 122.820 -0.049 0.000 1.902 223 A HA -0.120 4.201 4.320 0.001 0.000 0.217 223 A C 2.345 179.884 177.584 -0.074 0.000 1.181 223 A CA 1.323 53.334 52.037 -0.045 0.000 0.623 223 A CB -0.622 18.355 19.000 -0.038 0.000 0.818 223 A HN 0.066 nan 8.150 nan 0.000 0.443 224 V N -0.188 119.639 119.914 -0.145 0.000 2.407 224 V HA -0.241 3.880 4.120 0.001 0.000 0.248 224 V C 3.019 178.965 176.094 -0.247 0.000 1.055 224 V CA 1.875 64.019 62.300 -0.260 0.000 1.049 224 V CB -1.070 30.484 31.823 -0.448 0.000 0.662 224 V HN 0.615 nan 8.190 nan 0.000 0.455 225 A N -1.153 121.598 122.820 -0.116 0.000 1.969 225 A HA -0.203 4.117 4.320 0.001 0.000 0.218 225 A C 2.520 180.124 177.584 0.034 0.000 1.169 225 A CA 2.035 54.065 52.037 -0.012 0.000 0.635 225 A CB -0.590 18.419 19.000 0.014 0.000 0.810 225 A HN 0.464 nan 8.150 nan 0.000 0.445 226 S N -0.600 115.102 115.700 0.005 0.000 2.387 226 S HA -0.047 4.423 4.470 0.001 0.000 0.226 226 S C 1.855 176.481 174.600 0.044 0.000 1.026 226 S CA 1.089 59.304 58.200 0.026 0.000 0.972 226 S CB -0.460 62.747 63.200 0.012 0.000 0.814 226 S HN 0.514 nan 8.310 nan 0.000 0.477 227 I N 0.362 120.948 120.570 0.027 0.000 2.179 227 I HA -0.171 4.000 4.170 0.001 0.000 0.242 227 I C 2.042 178.248 176.117 0.149 0.000 1.088 227 I CA 1.186 62.517 61.300 0.052 0.000 1.357 227 I CB -0.443 37.579 38.000 0.037 0.000 1.051 227 I HN 0.320 nan 8.210 nan 0.000 0.409 228 Y N 0.938 121.270 120.300 0.054 0.000 2.145 228 Y HA -0.280 4.270 4.550 0.001 0.000 0.286 228 Y C 2.547 178.450 175.900 0.004 0.000 1.145 228 Y CA 1.424 59.541 58.100 0.029 0.000 1.148 228 Y CB -1.248 37.243 38.460 0.052 0.000 0.981 228 Y HN 0.294 nan 8.280 nan 0.000 0.507 229 N N -0.015 118.795 118.700 0.183 0.000 2.104 229 N HA -0.179 4.561 4.740 0.001 0.000 0.190 229 N C 1.679 177.233 175.510 0.073 0.000 1.024 229 N CA 1.537 54.647 53.050 0.100 0.000 0.853 229 N CB -0.130 38.401 38.487 0.072 0.000 1.008 229 N HN 0.203 nan 8.380 nan 0.000 0.424 230 Q N -0.011 119.828 119.800 0.065 0.000 2.084 230 Q HA -0.043 4.297 4.340 0.001 0.000 0.202 230 Q C 1.922 177.943 176.000 0.035 0.000 0.978 230 Q CA 0.954 56.784 55.803 0.045 0.000 0.844 230 Q CB -0.302 28.455 28.738 0.033 0.000 0.898 230 Q HN 0.523 nan 8.270 nan 0.000 0.426 231 L N -0.724 120.498 121.223 -0.003 0.000 2.599 231 L HA 0.129 4.470 4.340 0.001 0.000 0.230 231 L C 1.023 177.929 176.870 0.061 0.000 1.141 231 L CA 0.436 55.201 54.840 -0.125 0.000 0.877 231 L CB -0.308 41.469 42.059 -0.470 0.000 1.009 231 L HN 0.325 nan 8.230 nan 0.000 0.447 232 G N 1.332 110.178 108.800 0.078 0.000 2.160 232 G HA2 -0.278 3.682 3.960 0.001 0.000 0.244 232 G HA3 -0.278 3.682 3.960 0.001 0.000 0.244 232 G C 0.039 174.977 174.900 0.065 0.000 1.022 232 G CA -0.132 45.026 45.100 0.096 0.000 0.741 232 G HN 0.320 nan 8.290 nan 0.000 0.508 233 I N 0.297 120.868 120.570 0.003 0.000 2.336 233 I HA 0.345 4.516 4.170 0.001 0.000 0.292 233 I C 0.661 176.703 176.117 -0.125 0.000 0.991 233 I CA -0.695 60.527 61.300 -0.129 0.000 1.227 233 I CB 1.364 39.127 38.000 -0.394 0.000 1.366 233 I HN -0.045 nan 8.210 nan 0.000 0.466 234 K N 5.279 125.609 120.400 -0.116 0.000 2.144 234 K HA 0.554 4.875 4.320 0.001 0.000 0.270 234 K C -1.038 175.493 176.600 -0.114 0.000 1.005 234 K CA -0.701 55.542 56.287 -0.074 0.000 0.932 234 K CB 1.501 33.972 32.500 -0.049 0.000 1.021 234 K HN 0.258 nan 8.250 nan 0.000 0.462 235 L N 2.636 123.835 121.223 -0.041 0.000 2.381 235 L HA 0.375 4.716 4.340 0.001 0.000 0.274 235 L C -1.540 175.321 176.870 -0.015 0.000 0.988 235 L CA -0.601 54.218 54.840 -0.036 0.000 0.824 235 L CB 1.952 44.052 42.059 0.069 0.000 1.263 235 L HN 0.318 nan 8.230 nan 0.000 0.410 236 V N 5.239 125.155 119.914 0.002 0.000 2.376 236 V HA 0.425 4.545 4.120 0.001 0.000 0.287 236 V C -0.077 176.153 176.094 0.226 0.000 1.015 236 V CA -0.610 61.741 62.300 0.084 0.000 0.834 236 V CB 0.977 32.793 31.823 -0.012 0.000 1.001 236 V HN 0.961 nan 8.190 nan 0.000 0.428 237 H N 2.501 121.640 119.070 0.115 0.000 2.500 237 H HA 0.499 5.056 4.556 0.001 0.000 0.351 237 H C 0.382 175.826 175.328 0.193 0.000 1.281 237 H CA -0.324 55.814 56.048 0.151 0.000 1.368 237 H CB 0.518 30.353 29.762 0.123 0.000 1.616 237 H HN 0.601 nan 8.280 nan 0.000 0.591 238 N N -0.973 117.744 118.700 0.029 0.000 2.716 238 N HA -0.281 4.460 4.740 0.001 0.000 0.250 238 N C -1.589 173.999 175.510 0.130 0.000 1.033 238 N CA 0.760 53.785 53.050 -0.041 0.000 0.727 238 N CB -1.245 37.070 38.487 -0.286 0.000 0.950 238 N HN 0.485 nan 8.380 nan 0.000 0.541 239 F N 1.348 121.352 119.950 0.090 0.000 2.311 239 F HA 0.287 4.814 4.527 0.001 0.000 0.371 239 F C -0.020 175.851 175.800 0.118 0.000 1.083 239 F CA -0.890 57.165 58.000 0.091 0.000 1.113 239 F CB 0.603 39.672 39.000 0.115 0.000 1.349 239 F HN -0.153 nan 8.300 nan 0.000 0.470 240 K N 7.688 128.026 120.400 -0.104 0.000 2.250 240 K HA 0.248 4.568 4.320 0.001 0.000 0.280 240 K C 0.029 176.541 176.600 -0.146 0.000 1.098 240 K CA -0.500 55.771 56.287 -0.028 0.000 0.916 240 K CB 1.434 33.912 32.500 -0.036 0.000 1.209 240 K HN 0.680 nan 8.250 nan 0.000 0.461 241 I N 2.941 123.528 120.570 0.029 0.000 2.752 241 I HA -0.186 3.984 4.170 0.001 0.000 0.289 241 I C 1.039 177.166 176.117 0.018 0.000 1.197 241 I CA 0.827 62.133 61.300 0.009 0.000 1.432 241 I CB 0.512 38.629 38.000 0.194 0.000 1.359 241 I HN 0.591 nan 8.210 nan 0.000 0.571 242 K N 5.065 125.452 120.400 -0.022 0.000 2.462 242 K HA 0.283 4.603 4.320 0.001 0.000 0.201 242 K C -0.197 176.438 176.600 0.059 0.000 1.268 242 K CA 0.160 56.456 56.287 0.016 0.000 0.933 242 K CB 0.360 32.844 32.500 -0.027 0.000 1.162 242 K HN 0.704 nan 8.250 nan 0.000 0.527 243 E N -0.134 120.104 120.200 0.064 0.000 2.390 243 E HA 0.355 4.705 4.350 0.001 0.000 0.277 243 E C -1.416 175.257 176.600 0.122 0.000 0.939 243 E CA -0.696 55.766 56.400 0.102 0.000 0.769 243 E CB 1.471 31.217 29.700 0.077 0.000 1.251 243 E HN 0.033 nan 8.360 nan 0.000 0.450 244 I N 3.326 123.993 120.570 0.162 0.000 2.418 244 I HA 0.461 4.632 4.170 0.001 0.000 0.287 244 I C 0.125 176.301 176.117 0.099 0.000 1.008 244 I CA -0.619 60.772 61.300 0.150 0.000 1.104 244 I CB 1.597 39.737 38.000 0.232 0.000 1.264 244 I HN 0.384 nan 8.210 nan 0.000 0.438 245 R N 3.202 123.649 120.500 -0.088 0.000 2.810 245 R HA 0.292 4.632 4.340 0.001 0.000 0.245 245 R C 0.963 176.775 176.300 -0.812 0.000 1.168 245 R CA -0.756 55.132 56.100 -0.353 0.000 1.096 245 R CB 1.212 31.410 30.300 -0.170 0.000 1.259 245 R HN 0.585 nan 8.270 nan 0.000 0.518 246 E N 0.235 119.751 120.200 -1.140 0.000 2.204 246 E HA -0.181 4.170 4.350 0.001 0.000 0.194 246 E C 0.249 176.362 176.600 -0.810 0.000 0.989 246 E CA 1.467 57.179 56.400 -1.147 0.000 0.824 246 E CB 0.210 29.352 29.700 -0.931 0.000 0.756 246 E HN 0.516 nan 8.360 nan 0.000 0.477 247 H N -1.035 117.926 119.070 -0.182 0.000 3.052 247 H HA 0.248 4.804 4.556 0.001 0.000 0.257 247 H C -0.719 174.586 175.328 -0.038 0.000 1.193 247 H CA -0.006 56.004 56.048 -0.064 0.000 1.072 247 H CB 0.682 30.424 29.762 -0.035 0.000 1.685 247 H HN 0.148 nan 8.280 nan 0.000 0.630 248 E N 0.664 120.871 120.200 0.011 0.000 2.422 248 E HA 0.337 4.687 4.350 0.001 0.000 0.280 248 E C -1.293 175.313 176.600 0.011 0.000 1.091 248 E CA -1.205 55.209 56.400 0.023 0.000 0.849 248 E CB 1.792 31.514 29.700 0.037 0.000 1.353 248 E HN 0.168 nan 8.360 nan 0.000 0.449 249 I N -0.979 119.609 120.570 0.030 0.000 2.646 249 I HA 0.786 4.956 4.170 0.001 0.000 0.299 249 I C -1.006 175.220 176.117 0.181 0.000 1.036 249 I CA -1.318 60.024 61.300 0.069 0.000 1.074 249 I CB 2.008 40.005 38.000 -0.005 0.000 1.258 249 I HN 0.345 nan 8.210 nan 0.000 0.430 250 V N 3.769 123.762 119.914 0.133 0.000 2.555 250 V HA 0.383 4.504 4.120 0.001 0.000 0.302 250 V C -0.375 175.611 176.094 -0.179 0.000 1.038 250 V CA -0.471 61.861 62.300 0.054 0.000 0.887 250 V CB 1.553 33.385 31.823 0.015 0.000 0.991 250 V HN 0.962 nan 8.190 nan 0.000 0.434 251 D N 2.146 122.225 120.400 -0.535 0.000 2.511 251 D HA 0.189 4.829 4.640 0.001 0.000 0.276 251 D C 0.699 176.795 176.300 -0.340 0.000 1.220 251 D CA -0.594 52.932 54.000 -0.789 0.000 1.077 251 D CB 0.940 40.815 40.800 -1.542 0.000 1.126 251 D HN 0.529 nan 8.370 nan 0.000 0.583 252 E N -1.132 118.906 120.200 -0.270 0.000 2.338 252 E HA -0.073 4.277 4.350 0.001 0.000 0.197 252 E C 0.963 177.502 176.600 -0.101 0.000 1.007 252 E CA 0.684 57.005 56.400 -0.131 0.000 0.849 252 E CB 0.089 29.739 29.700 -0.084 0.000 0.774 252 E HN 0.386 nan 8.360 nan 0.000 0.506 253 K N -0.820 119.503 120.400 -0.128 0.000 2.372 253 K HA 0.184 4.505 4.320 0.001 0.000 0.200 253 K C 0.901 177.467 176.600 -0.057 0.000 1.022 253 K CA 0.458 56.700 56.287 -0.075 0.000 1.125 253 K CB 1.291 33.754 32.500 -0.062 0.000 0.855 253 K HN 0.158 nan 8.250 nan 0.000 0.524 254 G N 1.629 110.385 108.800 -0.073 0.000 2.175 254 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 254 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 254 G C -0.136 174.756 174.900 -0.013 0.000 0.982 254 G CA -0.373 44.705 45.100 -0.036 0.000 0.641 254 G HN 0.272 nan 8.290 nan 0.000 0.527 255 N N 1.366 120.054 118.700 -0.020 0.000 2.482 255 N HA 0.489 5.229 4.740 0.001 0.000 0.260 255 N C 0.590 176.206 175.510 0.177 0.000 1.236 255 N CA 1.139 54.235 53.050 0.077 0.000 0.938 255 N CB 1.139 39.701 38.487 0.125 0.000 1.128 255 N HN 0.705 nan 8.380 nan 0.000 0.448 256 T N -2.160 112.521 114.554 0.213 0.000 2.916 256 T HA 0.773 5.123 4.350 0.001 0.000 0.292 256 T C -0.149 174.625 174.700 0.124 0.000 1.055 256 T CA -0.814 61.410 62.100 0.207 0.000 1.009 256 T CB 1.049 69.976 68.868 0.099 0.000 1.118 256 T HN 0.306 nan 8.240 nan 0.000 0.497 257 I N 1.919 122.498 120.570 0.014 0.000 2.534 257 I HA 0.389 4.560 4.170 0.001 0.000 0.288 257 I C -2.721 173.365 176.117 -0.052 0.000 1.077 257 I CA -2.826 58.398 61.300 -0.126 0.000 1.051 257 I CB 2.934 40.682 38.000 -0.419 0.000 1.234 257 I HN 0.439 nan 8.210 nan 0.000 0.425 258 P HA 0.275 nan 4.420 nan 0.000 0.271 258 P C -1.103 176.221 177.300 0.041 0.000 1.220 258 P CA -0.184 62.929 63.100 0.022 0.000 0.768 258 P CB 0.887 32.601 31.700 0.023 0.000 0.848 259 A N 2.732 125.597 122.820 0.074 0.000 2.509 259 A HA 0.305 4.626 4.320 0.001 0.000 0.282 259 A C 0.190 177.852 177.584 0.130 0.000 1.054 259 A CA -0.476 51.617 52.037 0.092 0.000 0.820 259 A CB 0.608 19.651 19.000 0.071 0.000 1.333 259 A HN 0.382 nan 8.150 nan 0.000 0.409 260 D N 1.236 121.750 120.400 0.190 0.000 2.305 260 D HA 0.151 4.792 4.640 0.001 0.000 0.206 260 D C 0.291 176.696 176.300 0.175 0.000 0.974 260 D CA 1.271 55.431 54.000 0.267 0.000 0.871 260 D CB 0.566 41.630 40.800 0.440 0.000 0.947 260 D HN 0.595 nan 8.370 nan 0.000 0.516 261 I N 0.632 121.245 120.570 0.071 0.000 2.499 261 I HA 0.148 4.319 4.170 0.001 0.000 0.288 261 I C -0.703 175.482 176.117 0.114 0.000 1.048 261 I CA -0.297 61.016 61.300 0.022 0.000 1.062 261 I CB 2.465 40.258 38.000 -0.345 0.000 1.238 261 I HN -0.389 nan 8.210 nan 0.000 0.426 262 T N 7.007 121.734 114.554 0.289 0.000 2.809 262 T HA 0.552 4.902 4.350 0.001 0.000 0.296 262 T C -0.119 174.803 174.700 0.369 0.000 1.015 262 T CA -0.272 62.009 62.100 0.302 0.000 0.954 262 T CB 0.753 69.793 68.868 0.285 0.000 0.950 262 T HN 0.270 nan 8.240 nan 0.000 0.450 263 I N 4.562 125.300 120.570 0.279 0.000 2.306 263 I HA 0.431 4.601 4.170 0.001 0.000 0.288 263 I C -0.606 175.671 176.117 0.268 0.000 1.036 263 I CA -0.723 60.728 61.300 0.251 0.000 1.221 263 I CB 0.981 39.052 38.000 0.119 0.000 1.385 263 I HN 0.329 nan 8.210 nan 0.000 0.472 264 L N 7.482 128.916 121.223 0.351 0.000 2.365 264 L HA 0.556 4.897 4.340 0.001 0.000 0.273 264 L C -1.234 175.773 176.870 0.229 0.000 1.000 264 L CA -0.425 54.614 54.840 0.331 0.000 0.819 264 L CB 2.016 44.369 42.059 0.490 0.000 1.284 264 L HN 0.489 nan 8.230 nan 0.000 0.418 265 L N 7.503 128.811 121.223 0.141 0.000 2.259 265 L HA 0.514 4.855 4.340 0.001 0.000 0.288 265 L C -2.046 174.877 176.870 0.087 0.000 1.051 265 L CA -1.696 53.205 54.840 0.102 0.000 0.824 265 L CB 1.035 43.153 42.059 0.099 0.000 1.206 265 L HN 0.558 nan 8.230 nan 0.000 0.429 266 P HA 0.081 nan 4.420 nan 0.000 0.270 266 P C -2.582 174.748 177.300 0.049 0.000 1.227 266 P CA -0.986 62.035 63.100 -0.131 0.000 0.788 266 P CB -0.371 31.062 31.700 -0.443 0.000 0.926 267 P HA 0.092 nan 4.420 nan 0.000 0.269 267 P C -0.954 176.533 177.300 0.312 0.000 1.209 267 P CA 0.440 63.708 63.100 0.280 0.000 0.776 267 P CB 0.089 31.999 31.700 0.349 0.000 0.876 268 Y N 0.852 121.322 120.300 0.283 0.000 2.330 268 Y HA 0.482 5.032 4.550 0.001 0.000 0.336 268 Y C 1.115 177.350 175.900 0.559 0.000 1.036 268 Y CA 0.240 58.535 58.100 0.326 0.000 1.125 268 Y CB 1.086 39.685 38.460 0.232 0.000 1.194 268 Y HN 0.339 nan 8.280 nan 0.000 0.469 269 T N -0.489 114.370 114.554 0.508 0.000 2.865 269 T HA 0.746 5.096 4.350 0.001 0.000 0.294 269 T C 0.139 174.944 174.700 0.175 0.000 1.119 269 T CA -0.914 61.416 62.100 0.384 0.000 1.007 269 T CB 1.372 70.317 68.868 0.128 0.000 1.225 269 T HN 0.792 nan 8.240 nan 0.000 0.515 270 G N 0.792 109.447 108.800 -0.243 0.000 2.569 270 G HA2 0.288 4.249 3.960 0.001 0.000 0.249 270 G HA3 0.288 4.249 3.960 0.001 0.000 0.249 270 G C 0.075 174.790 174.900 -0.308 0.000 1.216 270 G CA -0.572 44.091 45.100 -0.727 0.000 0.845 270 G HN 0.854 nan 8.290 nan 0.000 0.568 271 N N 1.499 120.043 118.700 -0.260 0.000 2.447 271 N HA 0.060 4.800 4.740 0.001 0.000 0.263 271 N C -1.243 174.153 175.510 -0.190 0.000 1.226 271 N CA -1.475 51.490 53.050 -0.141 0.000 0.906 271 N CB 1.603 40.045 38.487 -0.075 0.000 1.060 271 N HN 0.010 nan 8.380 nan 0.000 0.468 272 P HA -0.131 nan 4.420 nan 0.000 0.216 272 P C 0.744 177.962 177.300 -0.137 0.000 1.150 272 P CA 1.543 64.516 63.100 -0.213 0.000 0.843 272 P CB 0.096 31.645 31.700 -0.251 0.000 0.787 273 A N -0.944 121.815 122.820 -0.101 0.000 2.019 273 A HA -0.142 4.178 4.320 0.001 0.000 0.219 273 A C 2.147 179.695 177.584 -0.059 0.000 1.164 273 A CA 1.337 53.339 52.037 -0.060 0.000 0.644 273 A CB -1.473 17.512 19.000 -0.024 0.000 0.805 273 A HN 0.161 nan 8.150 nan 0.000 0.449 274 L N -1.595 119.580 121.223 -0.081 0.000 2.307 274 L HA -0.018 4.323 4.340 0.001 0.000 0.211 274 L C 2.363 179.180 176.870 -0.089 0.000 1.099 274 L CA 0.853 55.647 54.840 -0.075 0.000 0.816 274 L CB -0.306 41.699 42.059 -0.089 0.000 0.952 274 L HN 0.299 nan 8.230 nan 0.000 0.455 275 K N 0.283 120.612 120.400 -0.118 0.000 2.148 275 K HA -0.066 4.255 4.320 0.001 0.000 0.204 275 K C 1.048 177.597 176.600 -0.085 0.000 1.050 275 K CA 0.877 57.098 56.287 -0.110 0.000 0.942 275 K CB 0.032 32.451 32.500 -0.134 0.000 0.724 275 K HN 0.256 nan 8.250 nan 0.000 0.446 276 N N 0.311 118.960 118.700 -0.086 0.000 2.314 276 N HA 0.049 4.789 4.740 0.001 0.000 0.200 276 N C -0.324 175.138 175.510 -0.080 0.000 1.135 276 N CA 0.169 53.169 53.050 -0.083 0.000 0.835 276 N CB 0.719 39.152 38.487 -0.090 0.000 0.989 276 N HN -0.049 nan 8.380 nan 0.000 0.478 277 S N -0.411 115.252 115.700 -0.062 0.000 2.719 277 S HA 0.268 4.739 4.470 0.001 0.000 0.285 277 S C 0.288 174.860 174.600 -0.046 0.000 1.137 277 S CA -0.561 57.607 58.200 -0.053 0.000 1.012 277 S CB 0.812 63.993 63.200 -0.033 0.000 1.134 277 S HN 0.087 nan 8.310 nan 0.000 0.544 278 T N 4.360 118.884 114.554 -0.050 0.000 2.609 278 T HA 0.013 4.363 4.350 0.001 0.000 0.257 278 T C -1.718 172.993 174.700 0.019 0.000 1.032 278 T CA -0.374 61.708 62.100 -0.031 0.000 1.244 278 T CB -0.223 68.585 68.868 -0.100 0.000 1.003 278 T HN 0.359 nan 8.240 nan 0.000 0.507 279 P HA -0.174 nan 4.420 nan 0.000 0.218 279 P C 1.167 178.505 177.300 0.064 0.000 1.152 279 P CA 1.186 64.303 63.100 0.029 0.000 0.857 279 P CB 0.073 31.785 31.700 0.021 0.000 0.787 280 D N -1.620 118.848 120.400 0.113 0.000 2.336 280 D HA -0.021 4.619 4.640 0.001 0.000 0.228 280 D C 1.388 177.824 176.300 0.227 0.000 1.120 280 D CA -0.018 54.065 54.000 0.138 0.000 0.839 280 D CB -0.661 40.204 40.800 0.108 0.000 0.932 280 D HN 0.134 nan 8.370 nan 0.000 0.509 281 L N 0.527 121.884 121.223 0.224 0.000 2.357 281 L HA 0.197 4.537 4.340 0.001 0.000 0.211 281 L C 0.369 177.318 176.870 0.131 0.000 1.075 281 L CA 0.451 55.435 54.840 0.239 0.000 0.830 281 L CB 0.382 42.508 42.059 0.111 0.000 0.996 281 L HN 0.042 nan 8.230 nan 0.000 0.467 282 V N -1.892 118.074 119.914 0.087 0.000 2.919 282 V HA 0.616 4.737 4.120 0.001 0.000 0.316 282 V C -0.502 175.630 176.094 0.063 0.000 1.077 282 V CA -0.706 61.633 62.300 0.065 0.000 0.977 282 V CB 1.369 33.204 31.823 0.021 0.000 1.039 282 V HN 0.332 nan 8.190 nan 0.000 0.441 283 D N 1.129 121.577 120.400 0.080 0.000 2.478 283 D HA 0.153 4.793 4.640 0.001 0.000 0.269 283 D C 0.818 177.154 176.300 0.060 0.000 1.232 283 D CA 0.087 54.133 54.000 0.075 0.000 1.059 283 D CB 0.211 41.066 40.800 0.091 0.000 1.104 283 D HN 0.727 nan 8.370 nan 0.000 0.566 284 D N -1.648 118.786 120.400 0.058 0.000 2.378 284 D HA -0.051 4.590 4.640 0.001 0.000 0.222 284 D C 1.494 177.824 176.300 0.051 0.000 0.980 284 D CA 0.662 54.691 54.000 0.047 0.000 0.907 284 D CB -0.465 40.369 40.800 0.058 0.000 0.899 284 D HN 0.547 nan 8.370 nan 0.000 0.527 285 G N -0.185 108.670 108.800 0.091 0.000 2.719 285 G HA2 0.304 4.264 3.960 0.001 0.000 0.211 285 G HA3 0.304 4.264 3.960 0.001 0.000 0.211 285 G C 1.232 176.082 174.900 -0.084 0.000 1.140 285 G CA 0.228 45.415 45.100 0.146 0.000 0.790 285 G HN 0.609 nan 8.290 nan 0.000 0.529 286 G N -1.147 107.573 108.800 -0.134 0.000 2.141 286 G HA2 -0.165 3.795 3.960 0.001 0.000 0.164 286 G HA3 -0.165 3.795 3.960 0.001 0.000 0.164 286 G C -0.104 174.525 174.900 -0.452 0.000 1.009 286 G CA -0.357 44.560 45.100 -0.304 0.000 0.677 286 G HN 0.276 nan 8.290 nan 0.000 0.508 287 F N -0.079 119.898 119.950 0.044 0.000 2.507 287 F HA 0.727 5.255 4.527 0.001 0.000 0.327 287 F C 0.861 176.685 175.800 0.041 0.000 1.068 287 F CA -1.380 56.654 58.000 0.057 0.000 0.965 287 F CB 1.338 40.383 39.000 0.075 0.000 1.192 287 F HN -0.069 nan 8.300 nan 0.000 0.476 288 I N 4.763 125.465 120.570 0.219 0.000 2.301 288 I HA 0.240 4.411 4.170 0.001 0.000 0.292 288 I C -2.293 173.890 176.117 0.109 0.000 1.046 288 I CA -1.958 59.422 61.300 0.133 0.000 1.282 288 I CB 0.834 38.895 38.000 0.102 0.000 1.409 288 I HN 0.186 nan 8.210 nan 0.000 0.484 289 P HA 0.174 nan 4.420 nan 0.000 0.280 289 P C -0.365 176.944 177.300 0.015 0.000 1.244 289 P CA -0.043 63.083 63.100 0.044 0.000 0.784 289 P CB 1.320 33.043 31.700 0.039 0.000 0.913 290 T N -0.562 113.983 114.554 -0.016 0.000 2.716 290 T HA 0.575 4.925 4.350 0.001 0.000 0.286 290 T C -0.461 174.196 174.700 -0.071 0.000 1.052 290 T CA -0.678 61.393 62.100 -0.048 0.000 1.024 290 T CB 1.127 69.963 68.868 -0.053 0.000 1.349 290 T HN 0.358 nan 8.240 nan 0.000 0.525 291 D N -0.068 120.275 120.400 -0.095 0.000 2.564 291 D HA 0.306 4.946 4.640 0.001 0.000 0.273 291 D C 1.315 177.546 176.300 -0.114 0.000 1.192 291 D CA -1.112 52.827 54.000 -0.102 0.000 1.080 291 D CB -0.014 40.724 40.800 -0.104 0.000 1.160 291 D HN 0.480 nan 8.370 nan 0.000 0.607 292 L N -0.646 120.518 121.223 -0.098 0.000 2.549 292 L HA -0.012 4.328 4.340 0.001 0.000 0.229 292 L C 1.251 178.089 176.870 -0.054 0.000 1.158 292 L CA 0.545 55.347 54.840 -0.063 0.000 0.842 292 L CB -0.539 41.516 42.059 -0.007 0.000 0.952 292 L HN 0.294 nan 8.230 nan 0.000 0.452 293 N N -0.172 118.452 118.700 -0.127 0.000 2.280 293 N HA 0.057 4.798 4.740 0.001 0.000 0.192 293 N C 0.643 176.104 175.510 -0.081 0.000 1.109 293 N CA 0.180 53.111 53.050 -0.199 0.000 0.855 293 N CB 0.786 38.884 38.487 -0.648 0.000 0.974 293 N HN 0.126 nan 8.380 nan 0.000 0.482 294 M N -1.252 118.314 119.600 -0.057 0.000 2.976 294 M HA -0.145 4.336 4.480 0.001 0.000 0.206 294 M C -0.707 175.578 176.300 -0.026 0.000 0.591 294 M CA 0.345 55.666 55.300 0.034 0.000 0.777 294 M CB -2.507 30.200 32.600 0.177 0.000 2.782 294 M HN -0.241 nan 8.290 nan 0.000 0.331 295 V N 0.908 120.683 119.914 -0.232 0.000 2.461 295 V HA 0.397 4.517 4.120 0.001 0.000 0.275 295 V C 1.278 177.252 176.094 -0.200 0.000 1.047 295 V CA -0.217 61.826 62.300 -0.427 0.000 0.955 295 V CB 1.666 33.225 31.823 -0.439 0.000 0.988 295 V HN 0.510 nan 8.190 nan 0.000 0.471 296 S N 4.495 120.111 115.700 -0.139 0.000 2.561 296 S HA 0.006 4.476 4.470 0.001 0.000 0.294 296 S C 1.351 175.925 174.600 -0.044 0.000 1.294 296 S CA 0.040 58.223 58.200 -0.028 0.000 1.055 296 S CB 0.066 63.312 63.200 0.077 0.000 0.819 296 S HN 0.681 nan 8.310 nan 0.000 0.503 297 I N 1.332 121.881 120.570 -0.034 0.000 2.916 297 I HA 0.104 4.274 4.170 0.001 0.000 0.267 297 I C 1.750 177.810 176.117 -0.094 0.000 1.263 297 I CA 1.104 62.369 61.300 -0.057 0.000 1.471 297 I CB -0.173 37.801 38.000 -0.043 0.000 1.089 297 I HN 0.488 nan 8.210 nan 0.000 0.468 298 K N 0.632 120.959 120.400 -0.122 0.000 2.344 298 K HA 0.210 4.531 4.320 0.001 0.000 0.200 298 K C -0.389 175.868 176.600 -0.572 0.000 1.132 298 K CA 0.516 56.592 56.287 -0.352 0.000 0.935 298 K CB 0.238 32.486 32.500 -0.419 0.000 1.089 298 K HN 0.341 nan 8.250 nan 0.000 0.496 299 Y N 1.869 122.168 120.300 -0.002 0.000 2.388 299 Y HA 0.154 4.704 4.550 0.001 0.000 0.328 299 Y C 0.044 175.942 175.900 -0.004 0.000 0.963 299 Y CA -1.343 56.765 58.100 0.013 0.000 1.240 299 Y CB 1.288 39.774 38.460 0.043 0.000 1.118 299 Y HN 0.140 nan 8.280 nan 0.000 0.484 300 D N 0.226 120.682 120.400 0.093 0.000 2.403 300 D HA -0.190 4.450 4.640 0.001 0.000 0.227 300 D C 0.551 176.917 176.300 0.110 0.000 0.995 300 D CA 1.068 55.103 54.000 0.058 0.000 0.928 300 D CB -0.110 40.728 40.800 0.063 0.000 0.887 300 D HN 0.578 nan 8.370 nan 0.000 0.529 301 N N 0.039 118.850 118.700 0.186 0.000 2.200 301 N HA 0.024 4.765 4.740 0.001 0.000 0.224 301 N C -0.697 174.988 175.510 0.292 0.000 1.179 301 N CA -0.333 52.911 53.050 0.323 0.000 0.877 301 N CB 0.506 39.093 38.487 0.167 0.000 1.072 301 N HN 0.007 nan 8.380 nan 0.000 0.519 302 V N 1.685 121.669 119.914 0.116 0.000 2.417 302 V HA 0.406 4.526 4.120 0.001 0.000 0.291 302 V C -1.087 174.955 176.094 -0.087 0.000 1.024 302 V CA -0.653 61.683 62.300 0.060 0.000 0.861 302 V CB 0.765 32.638 31.823 0.083 0.000 0.985 302 V HN 0.053 nan 8.190 nan 0.000 0.436 303 Y N 2.273 122.603 120.300 0.049 0.000 2.429 303 Y HA 0.761 5.311 4.550 0.001 0.000 0.342 303 Y C 0.353 176.265 175.900 0.021 0.000 1.004 303 Y CA -0.625 57.497 58.100 0.035 0.000 1.075 303 Y CB 2.154 40.633 38.460 0.031 0.000 1.214 303 Y HN 0.691 nan 8.280 nan 0.000 0.455 304 A N 2.640 125.557 122.820 0.162 0.000 2.343 304 A HA 0.816 5.137 4.320 0.001 0.000 0.316 304 A C -1.113 176.541 177.584 0.116 0.000 1.104 304 A CA -0.648 51.459 52.037 0.118 0.000 0.768 304 A CB 0.712 19.767 19.000 0.093 0.000 1.213 304 A HN 0.739 nan 8.150 nan 0.000 0.456 305 V N 0.366 120.348 119.914 0.113 0.000 3.001 305 V HA 0.985 5.106 4.120 0.001 0.000 0.314 305 V C 0.642 176.807 176.094 0.119 0.000 1.099 305 V CA 0.192 62.557 62.300 0.108 0.000 0.989 305 V CB 0.809 32.698 31.823 0.109 0.000 1.040 305 V HN 2.768 nan 8.190 nan 0.000 0.434 306 G N 2.495 111.365 108.800 0.117 0.000 2.566 306 G HA2 -0.288 3.672 3.960 0.001 0.000 0.280 306 G HA3 -0.288 3.672 3.960 0.001 0.000 0.280 306 G C 0.260 175.236 174.900 0.127 0.000 1.225 306 G CA 0.884 46.059 45.100 0.125 0.000 0.966 306 G HN 1.029 nan 8.290 nan 0.000 0.560 307 D N 0.569 121.063 120.400 0.156 0.000 2.221 307 D HA 0.105 4.745 4.640 0.001 0.000 0.204 307 D C 2.692 179.182 176.300 0.317 0.000 0.982 307 D CA 2.146 56.269 54.000 0.205 0.000 0.857 307 D CB -0.619 40.325 40.800 0.241 0.000 0.934 307 D HN 0.868 nan 8.370 nan 0.000 0.475 308 A N 0.176 123.157 122.820 0.268 0.000 2.067 308 A HA -0.112 4.209 4.320 0.001 0.000 0.219 308 A C 1.338 179.117 177.584 0.325 0.000 1.158 308 A CA 0.315 52.529 52.037 0.296 0.000 0.661 308 A CB -0.263 18.836 19.000 0.165 0.000 0.801 308 A HN 0.119 nan 8.150 nan 0.000 0.452 309 N N 0.084 118.914 118.700 0.216 0.000 2.514 309 N HA 0.136 4.876 4.740 0.001 0.000 0.277 309 N C 0.766 176.342 175.510 0.109 0.000 1.126 309 N CA 0.406 53.541 53.050 0.141 0.000 0.978 309 N CB 1.240 39.762 38.487 0.059 0.000 1.106 309 N HN 0.107 nan 8.380 nan 0.000 0.461 310 S N 2.958 118.715 115.700 0.095 0.000 2.400 310 S HA -0.195 4.275 4.470 0.001 0.000 0.232 310 S C 1.765 176.331 174.600 -0.057 0.000 1.025 310 S CA 1.525 59.728 58.200 0.005 0.000 0.993 310 S CB -0.227 62.999 63.200 0.043 0.000 0.808 310 S HN 0.840 nan 8.310 nan 0.000 0.478 311 M N 1.524 121.101 119.600 -0.039 0.000 2.492 311 M HA 0.050 4.531 4.480 0.001 0.000 0.262 311 M C 0.702 177.008 176.300 0.010 0.000 1.090 311 M CA 0.840 56.124 55.300 -0.027 0.000 1.110 311 M CB -0.937 31.605 32.600 -0.097 0.000 1.407 311 M HN 0.118 nan 8.290 nan 0.000 0.470 312 T N 0.876 115.420 114.554 -0.016 0.000 3.474 312 T HA 0.491 4.841 4.350 0.001 0.000 0.270 312 T C -0.316 174.339 174.700 -0.076 0.000 1.079 312 T CA -0.591 61.507 62.100 -0.004 0.000 1.110 312 T CB -0.722 68.144 68.868 -0.004 0.000 1.087 312 T HN 0.174 nan 8.240 nan 0.000 0.784 313 V N 4.707 124.593 119.914 -0.047 0.000 2.482 313 V HA 0.419 4.539 4.120 0.001 0.000 0.295 313 V C -2.305 173.738 176.094 -0.086 0.000 1.026 313 V CA -2.094 60.153 62.300 -0.089 0.000 0.856 313 V CB 1.734 33.567 31.823 0.017 0.000 1.001 313 V HN 0.533 nan 8.190 nan 0.000 0.424 314 P HA 0.192 nan 4.420 nan 0.000 0.271 314 P C -0.526 176.606 177.300 -0.281 0.000 1.244 314 P CA -0.459 62.488 63.100 -0.254 0.000 0.793 314 P CB 0.520 32.086 31.700 -0.223 0.000 0.984 315 K N 1.790 121.966 120.400 -0.373 0.000 2.127 315 K HA 0.261 4.582 4.320 0.001 0.000 0.261 315 K C -0.388 176.088 176.600 -0.207 0.000 1.129 315 K CA 0.150 56.276 56.287 -0.268 0.000 0.993 315 K CB -0.863 31.460 32.500 -0.296 0.000 1.410 315 K HN 0.409 nan 8.250 nan 0.000 0.380 316 L N 0.064 121.134 121.223 -0.256 0.000 2.329 316 L HA 0.320 4.660 4.340 0.001 0.000 0.279 316 L C 1.722 178.386 176.870 -0.344 0.000 1.014 316 L CA -0.581 54.046 54.840 -0.356 0.000 0.814 316 L CB 1.780 43.422 42.059 -0.694 0.000 1.257 316 L HN 0.565 nan 8.230 nan 0.000 0.424 317 G N 1.342 109.941 108.800 -0.335 0.000 2.450 317 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 317 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 317 G C 1.201 175.888 174.900 -0.355 0.000 1.130 317 G CA 1.332 46.135 45.100 -0.496 0.000 0.760 317 G HN 0.826 nan 8.290 nan 0.000 0.557 318 Y N -0.340 119.828 120.300 -0.220 0.000 2.457 318 Y HA 0.332 4.882 4.550 0.001 0.000 0.292 318 Y C 2.205 178.082 175.900 -0.037 0.000 1.125 318 Y CA 0.125 58.150 58.100 -0.125 0.000 1.254 318 Y CB -0.364 38.030 38.460 -0.111 0.000 1.012 318 Y HN 0.092 nan 8.280 nan 0.000 0.555 319 L N 0.357 121.376 121.223 -0.340 0.000 2.179 319 L HA -0.009 4.332 4.340 0.001 0.000 0.208 319 L C 2.802 179.704 176.870 0.053 0.000 1.096 319 L CA 0.847 55.630 54.840 -0.096 0.000 0.779 319 L CB -0.653 41.309 42.059 -0.163 0.000 0.922 319 L HN 0.443 nan 8.230 nan 0.000 0.443 320 A N -0.069 122.757 122.820 0.010 0.000 1.877 320 A HA -0.155 4.165 4.320 0.001 0.000 0.216 320 A C 2.300 179.977 177.584 0.156 0.000 1.186 320 A CA 1.752 53.853 52.037 0.107 0.000 0.620 320 A CB -0.780 18.310 19.000 0.150 0.000 0.822 320 A HN 0.171 nan 8.150 nan 0.000 0.443 321 V N -0.512 119.492 119.914 0.151 0.000 2.295 321 V HA -0.303 3.818 4.120 0.001 0.000 0.246 321 V C 2.576 178.762 176.094 0.153 0.000 1.049 321 V CA 2.422 64.826 62.300 0.172 0.000 1.024 321 V CB -0.726 31.194 31.823 0.162 0.000 0.648 321 V HN 0.669 nan 8.190 nan 0.000 0.447 322 M N 1.399 121.095 119.600 0.161 0.000 2.065 322 M HA -0.190 4.291 4.480 0.001 0.000 0.259 322 M C 2.390 178.812 176.300 0.203 0.000 1.069 322 M CA 2.844 58.255 55.300 0.184 0.000 1.110 322 M CB -0.980 31.749 32.600 0.214 0.000 1.328 322 M HN 0.584 nan 8.290 nan 0.000 0.405 323 T N -2.699 111.981 114.554 0.209 0.000 2.746 323 T HA -0.011 4.340 4.350 0.001 0.000 0.267 323 T C 2.055 176.830 174.700 0.125 0.000 1.039 323 T CA 1.360 63.559 62.100 0.165 0.000 1.142 323 T CB -1.780 67.160 68.868 0.120 0.000 0.866 323 T HN 0.488 nan 8.240 nan 0.000 0.444 324 G N 1.330 110.205 108.800 0.125 0.000 2.442 324 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 324 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 324 G C 1.775 176.721 174.900 0.076 0.000 1.141 324 G CA 0.847 46.008 45.100 0.101 0.000 0.763 324 G HN 0.575 nan 8.290 nan 0.000 0.554 325 R N -0.004 120.552 120.500 0.094 0.000 2.073 325 R HA 0.133 4.474 4.340 0.001 0.000 0.229 325 R C 2.540 178.883 176.300 0.071 0.000 1.120 325 R CA 0.921 57.069 56.100 0.079 0.000 0.967 325 R CB -0.342 30.012 30.300 0.091 0.000 0.862 325 R HN 0.412 nan 8.270 nan 0.000 0.436 326 I N 0.600 121.229 120.570 0.100 0.000 2.226 326 I HA -0.240 3.931 4.170 0.001 0.000 0.245 326 I C 2.460 178.628 176.117 0.085 0.000 1.100 326 I CA 1.271 62.637 61.300 0.110 0.000 1.374 326 I CB -0.395 37.691 38.000 0.144 0.000 1.057 326 I HN 0.315 nan 8.210 nan 0.000 0.413 327 A N 0.790 123.638 122.820 0.046 0.000 1.883 327 A HA -0.198 4.123 4.320 0.001 0.000 0.217 327 A C 2.542 179.965 177.584 -0.270 0.000 1.186 327 A CA 1.999 53.988 52.037 -0.079 0.000 0.624 327 A CB -0.887 18.076 19.000 -0.062 0.000 0.822 327 A HN 0.436 nan 8.150 nan 0.000 0.444 328 A N -0.779 121.953 122.820 -0.147 0.000 1.933 328 A HA -0.190 4.131 4.320 0.001 0.000 0.218 328 A C 2.123 179.652 177.584 -0.091 0.000 1.175 328 A CA 1.657 53.610 52.037 -0.140 0.000 0.628 328 A CB -0.517 18.447 19.000 -0.060 0.000 0.814 328 A HN 0.677 nan 8.150 nan 0.000 0.444 329 Q N -1.587 118.203 119.800 -0.017 0.000 2.083 329 Q HA -0.149 4.191 4.340 0.001 0.000 0.198 329 Q C 2.178 178.193 176.000 0.026 0.000 0.969 329 Q CA 1.257 57.069 55.803 0.014 0.000 0.838 329 Q CB -0.348 28.422 28.738 0.054 0.000 0.900 329 Q HN 0.872 nan 8.270 nan 0.000 0.436 330 H N 0.668 119.721 119.070 -0.029 0.000 2.321 330 H HA -0.126 4.430 4.556 0.001 0.000 0.300 330 H C 2.101 177.411 175.328 -0.030 0.000 1.087 330 H CA 1.272 57.332 56.048 0.019 0.000 1.319 330 H CB 0.164 30.003 29.762 0.129 0.000 1.379 330 H HN 0.189 nan 8.280 nan 0.000 0.501 331 L N 1.357 122.514 121.223 -0.110 0.000 2.017 331 L HA -0.090 4.251 4.340 0.001 0.000 0.208 331 L C 2.776 179.509 176.870 -0.228 0.000 1.073 331 L CA 2.037 56.718 54.840 -0.265 0.000 0.745 331 L CB -1.350 40.411 42.059 -0.496 0.000 0.894 331 L HN 0.313 nan 8.230 nan 0.000 0.432 332 A N -0.453 122.270 122.820 -0.162 0.000 1.917 332 A HA -0.290 4.031 4.320 0.001 0.000 0.219 332 A C 2.202 179.724 177.584 -0.102 0.000 1.182 332 A CA 2.120 54.092 52.037 -0.109 0.000 0.633 332 A CB -0.908 18.051 19.000 -0.068 0.000 0.819 332 A HN 0.661 nan 8.150 nan 0.000 0.448 333 N N -0.599 118.029 118.700 -0.120 0.000 2.166 333 N HA -0.142 4.598 4.740 0.001 0.000 0.186 333 N C 1.928 177.363 175.510 -0.124 0.000 1.019 333 N CA 1.366 54.346 53.050 -0.117 0.000 0.856 333 N CB -0.262 38.136 38.487 -0.149 0.000 0.993 333 N HN 0.530 nan 8.380 nan 0.000 0.426 334 R N 0.573 120.968 120.500 -0.175 0.000 2.115 334 R HA 0.052 4.392 4.340 0.001 0.000 0.230 334 R C 1.612 177.875 176.300 -0.061 0.000 1.111 334 R CA 0.624 56.650 56.100 -0.124 0.000 0.976 334 R CB -0.090 30.114 30.300 -0.159 0.000 0.870 334 R HN 0.209 nan 8.270 nan 0.000 0.445 335 L N 0.085 121.259 121.223 -0.080 0.000 2.645 335 L HA 0.184 4.525 4.340 0.001 0.000 0.234 335 L C 0.822 177.683 176.870 -0.014 0.000 1.165 335 L CA 0.269 55.092 54.840 -0.029 0.000 0.944 335 L CB 0.026 42.060 42.059 -0.043 0.000 1.149 335 L HN 0.468 nan 8.230 nan 0.000 0.446 336 G N 0.238 109.025 108.800 -0.022 0.000 2.143 336 G HA2 -0.244 3.716 3.960 0.001 0.000 0.249 336 G HA3 -0.244 3.716 3.960 0.001 0.000 0.249 336 G C 0.132 175.022 174.900 -0.015 0.000 0.981 336 G CA 0.013 45.106 45.100 -0.012 0.000 0.665 336 G HN 0.166 nan 8.290 nan 0.000 0.528 337 V N 1.935 121.833 119.914 -0.026 0.000 2.239 337 V HA 0.340 4.460 4.120 0.001 0.000 0.267 337 V C -1.818 174.262 176.094 -0.023 0.000 1.056 337 V CA -1.645 60.643 62.300 -0.020 0.000 0.830 337 V CB 1.304 33.115 31.823 -0.021 0.000 1.090 337 V HN 0.115 nan 8.190 nan 0.000 0.459 338 P HA 0.103 nan 4.420 nan 0.000 0.256 338 P C -0.140 177.156 177.300 -0.008 0.000 1.173 338 P CA 0.881 63.973 63.100 -0.013 0.000 0.768 338 P CB 0.200 31.897 31.700 -0.006 0.000 0.758 339 T N 2.808 117.357 114.554 -0.008 0.000 2.916 339 T HA 0.294 4.645 4.350 0.001 0.000 0.305 339 T C -0.559 174.153 174.700 0.019 0.000 1.119 339 T CA -0.992 61.110 62.100 0.004 0.000 1.008 339 T CB 1.677 70.545 68.868 -0.000 0.000 1.129 339 T HN 0.236 nan 8.240 nan 0.000 0.480 340 K N 2.185 122.602 120.400 0.029 0.000 2.322 340 K HA 0.405 4.725 4.320 0.001 0.000 0.283 340 K C -0.853 175.783 176.600 0.061 0.000 1.042 340 K CA -0.355 55.958 56.287 0.044 0.000 0.958 340 K CB 0.423 32.948 32.500 0.042 0.000 0.984 340 K HN 0.346 nan 8.250 nan 0.000 0.473 341 V N 5.155 125.117 119.914 0.081 0.000 2.333 341 V HA 0.055 4.175 4.120 0.001 0.000 0.274 341 V C -0.329 175.832 176.094 0.112 0.000 1.028 341 V CA -0.873 61.493 62.300 0.110 0.000 0.851 341 V CB 0.969 32.886 31.823 0.158 0.000 1.000 341 V HN 0.839 nan 8.190 nan 0.000 0.456 342 D N 4.375 124.845 120.400 0.116 0.000 2.449 342 D HA 0.093 4.734 4.640 0.001 0.000 0.236 342 D C 0.337 176.736 176.300 0.164 0.000 1.149 342 D CA 0.221 54.301 54.000 0.134 0.000 0.878 342 D CB 0.726 41.607 40.800 0.135 0.000 1.198 342 D HN 0.336 nan 8.370 nan 0.000 0.446 343 K N 1.720 122.231 120.400 0.185 0.000 2.205 343 K HA 0.127 4.448 4.320 0.001 0.000 0.279 343 K C -0.201 176.553 176.600 0.256 0.000 1.027 343 K CA -0.537 55.855 56.287 0.176 0.000 0.932 343 K CB 0.798 33.359 32.500 0.102 0.000 1.032 343 K HN 0.443 nan 8.250 nan 0.000 0.466 344 Y N 2.365 122.736 120.300 0.119 0.000 2.309 344 Y HA 0.165 4.716 4.550 0.001 0.000 0.327 344 Y C -1.011 174.956 175.900 0.111 0.000 1.172 344 Y CA -0.104 58.097 58.100 0.169 0.000 1.280 344 Y CB 0.567 39.120 38.460 0.155 0.000 1.234 344 Y HN 0.424 nan 8.280 nan 0.000 0.512 345 Y N 6.095 125.947 120.300 -0.746 0.000 2.462 345 Y HA 0.441 4.992 4.550 0.001 0.000 0.346 345 Y C -2.149 173.179 175.900 -0.953 0.000 0.976 345 Y CA -2.475 55.239 58.100 -0.642 0.000 1.044 345 Y CB 1.631 39.875 38.460 -0.360 0.000 1.230 345 Y HN 0.541 nan 8.280 nan 0.000 0.455 346 P HA 0.069 nan 4.420 nan 0.000 0.274 346 P C 0.611 177.775 177.300 -0.227 0.000 1.231 346 P CA -0.177 62.678 63.100 -0.409 0.000 0.790 346 P CB 1.191 32.617 31.700 -0.456 0.000 0.951 347 T N -1.392 113.086 114.554 -0.128 0.000 2.951 347 T HA -0.102 4.249 4.350 0.001 0.000 0.268 347 T C 1.406 176.076 174.700 -0.050 0.000 1.073 347 T CA 0.772 62.847 62.100 -0.042 0.000 1.134 347 T CB -0.538 68.346 68.868 0.026 0.000 0.884 347 T HN 0.332 nan 8.240 nan 0.000 0.479 348 I N -1.091 119.437 120.570 -0.070 0.000 4.538 348 I HA -0.205 3.966 4.170 0.001 0.000 0.053 348 I C 0.485 176.573 176.117 -0.049 0.000 0.613 348 I CA 1.342 62.606 61.300 -0.060 0.000 0.944 348 I CB -1.962 36.003 38.000 -0.058 0.000 0.852 348 I HN 0.508 nan 8.210 nan 0.000 0.162 349 V N 0.904 120.793 119.914 -0.042 0.000 3.048 349 V HA 0.480 4.601 4.120 0.001 0.000 0.303 349 V C -0.875 175.203 176.094 -0.027 0.000 1.214 349 V CA -0.661 61.612 62.300 -0.044 0.000 0.984 349 V CB 2.281 34.074 31.823 -0.051 0.000 1.054 349 V HN 0.421 nan 8.190 nan 0.000 0.430 350 C N 5.361 124.639 119.300 -0.036 0.000 2.373 350 C HA 0.312 4.772 4.460 0.001 0.000 0.354 350 C C 1.968 176.951 174.990 -0.012 0.000 1.249 350 C CA 0.102 59.113 59.018 -0.011 0.000 1.784 350 C CB 0.296 28.015 27.740 -0.035 0.000 2.408 350 C HN 0.942 nan 8.230 nan 0.000 0.542 351 V N 3.276 123.192 119.914 0.003 0.000 2.688 351 V HA -0.141 3.979 4.120 0.001 0.000 0.256 351 V C 2.057 178.168 176.094 0.028 0.000 1.084 351 V CA 2.311 64.611 62.300 0.000 0.000 1.103 351 V CB -1.060 30.750 31.823 -0.022 0.000 0.688 351 V HN 0.922 nan 8.190 nan 0.000 0.480 352 A N 0.029 122.873 122.820 0.041 0.000 2.216 352 A HA -0.090 4.230 4.320 0.001 0.000 0.214 352 A C 1.705 179.387 177.584 0.164 0.000 1.160 352 A CA 1.360 53.450 52.037 0.089 0.000 0.725 352 A CB -0.662 18.387 19.000 0.083 0.000 0.784 352 A HN 0.578 nan 8.150 nan 0.000 0.472 353 D N 0.133 120.563 120.400 0.050 0.000 2.224 353 D HA -0.060 4.580 4.640 0.001 0.000 0.205 353 D C 0.621 176.947 176.300 0.044 0.000 0.965 353 D CA 0.533 54.495 54.000 -0.063 0.000 0.852 353 D CB -0.165 40.543 40.800 -0.153 0.000 0.947 353 D HN 0.357 nan 8.370 nan 0.000 0.494 354 N N 1.090 119.849 118.700 0.098 0.000 2.406 354 N HA 0.036 4.777 4.740 0.001 0.000 0.251 354 N C -1.805 173.808 175.510 0.173 0.000 1.069 354 N CA -1.536 51.595 53.050 0.135 0.000 0.947 354 N CB 1.732 40.284 38.487 0.109 0.000 1.111 354 N HN -0.094 nan 8.380 nan 0.000 0.497 355 P HA -0.110 nan 4.420 nan 0.000 0.222 355 P C 0.539 177.747 177.300 -0.153 0.000 1.147 355 P CA 1.138 64.222 63.100 -0.028 0.000 0.790 355 P CB 0.008 31.627 31.700 -0.134 0.000 0.780 356 Y N -0.156 120.167 120.300 0.038 0.000 2.632 356 Y HA 0.046 4.596 4.550 0.001 0.000 0.301 356 Y C 1.695 177.602 175.900 0.012 0.000 1.172 356 Y CA 0.143 58.254 58.100 0.018 0.000 1.328 356 Y CB -0.606 37.861 38.460 0.013 0.000 1.016 356 Y HN 0.038 nan 8.280 nan 0.000 0.529 357 E N 0.000 120.270 120.200 0.117 0.000 2.725 357 E HA 0.000 4.350 4.350 0.001 0.000 0.291 357 E CA 0.000 56.443 56.400 0.071 0.000 0.976 357 E CB 0.000 29.735 29.700 0.059 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440