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 2b9b_1_C DATA FIRST_RESID 20 DATA SEQUENCE LDPAALMQIG VIPTNVRQLM YYTEASSAFI VVKLMPTIDS PISGcNITSI DATA SEQUENCE SSYNATVTKL LQPIGENLET IRNQLIPTXX RRRFAGVVIG LAALGVATAA DATA SEQUENCE QVTAAVALVK ANENAAAILN LKNAIQKTNA AVADVVQATQ SLGTAVQAVQ DATA SEQUENCE DHINSVVSPA ITAANcKAQD AIIGSILNLY LTELTTIFHN QITNPALSPI DATA SEQUENCE TIQALRILLG STLPTVVEKS FNTQISAAEL LSSGLLTGQI VGLDLTYMQM DATA SEQUENCE VIKIELPTLT VQPATQIIDL ATISAFINNQ EVMAQLPTRV MVTGSLIQAY DATA SEQUENCE PASQcTITPN TVYcRYNDAQ VLSDDTMAcL QGNLTRcTFS PVVGSFLTRF DATA SEQUENCE VLFDGIVYAN cRSMLcKcMQ PAAVILQPSS SPVTVIDMYK cVSLQLDNLR DATA SEQUENCE FTITQLANVT YNSTIKLESS QILSIDPLDI SQNLAAVNKS LSDALQHLAQ DATA SEQUENCE SDTYLSAIED KIEEILSKIY HIENEIARIK KLI 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.865 176.870 -0.008 0.000 1.165 20 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 20 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 21 D N 0.161 120.555 120.400 -0.010 0.000 3.729 21 D HA -0.108 4.532 4.640 0.000 0.000 0.242 21 D C -2.466 173.826 176.300 -0.014 0.000 1.091 21 D CA 0.374 54.366 54.000 -0.013 0.000 1.096 21 D CB -0.415 40.376 40.800 -0.016 0.000 0.901 21 D HN 0.206 nan 8.370 nan 0.000 0.416 22 P HA 0.138 nan 4.420 nan 0.000 0.257 22 P C 0.684 177.968 177.300 -0.025 0.000 1.189 22 P CA 0.118 63.211 63.100 -0.012 0.000 0.780 22 P CB 0.871 32.568 31.700 -0.006 0.000 0.772 23 A N 4.590 127.391 122.820 -0.033 0.000 2.125 23 A HA -0.030 4.290 4.320 0.000 0.000 0.219 23 A C 1.487 179.019 177.584 -0.087 0.000 1.156 23 A CA 1.207 53.207 52.037 -0.063 0.000 0.671 23 A CB -0.765 18.199 19.000 -0.060 0.000 0.794 23 A HN 0.527 nan 8.150 nan 0.000 0.459 24 A N -0.234 122.557 122.820 -0.049 0.000 3.048 24 A HA 0.458 4.778 4.320 0.000 0.000 0.264 24 A C 0.624 178.198 177.584 -0.016 0.000 1.796 24 A CA 0.340 52.358 52.037 -0.032 0.000 1.445 24 A CB -0.805 18.192 19.000 -0.005 0.000 1.074 24 A HN 1.065 nan 8.150 nan 0.000 0.621 25 L N -0.924 120.279 121.223 -0.033 0.000 3.410 25 L HA 0.413 4.753 4.340 0.000 0.000 0.309 25 L C 1.215 178.073 176.870 -0.019 0.000 1.254 25 L CA 0.581 55.415 54.840 -0.011 0.000 1.048 25 L CB -0.127 41.917 42.059 -0.025 0.000 1.442 25 L HN 0.421 nan 8.230 nan 0.000 0.615 26 M N -0.958 118.610 119.600 -0.053 0.000 2.558 26 M HA 0.085 4.565 4.480 0.000 0.000 0.255 26 M C 1.346 177.678 176.300 0.052 0.000 1.113 26 M CA 0.953 56.201 55.300 -0.087 0.000 1.097 26 M CB 0.094 32.535 32.600 -0.265 0.000 1.426 26 M HN 0.388 nan 8.290 nan 0.000 0.488 27 Q N 0.066 119.909 119.800 0.072 0.000 2.472 27 Q HA 0.025 4.365 4.340 0.000 0.000 0.208 27 Q C 1.236 177.294 176.000 0.097 0.000 0.958 27 Q CA 0.520 56.381 55.803 0.096 0.000 0.932 27 Q CB 0.432 29.210 28.738 0.068 0.000 1.007 27 Q HN 0.440 nan 8.270 nan 0.000 0.508 28 I N -1.125 119.510 120.570 0.110 0.000 4.018 28 I HA 0.143 4.313 4.170 0.000 0.000 0.337 28 I C 1.150 177.373 176.117 0.177 0.000 1.327 28 I CA 0.626 62.033 61.300 0.178 0.000 1.100 28 I CB 0.368 38.513 38.000 0.242 0.000 1.025 28 I HN 0.281 nan 8.210 nan 0.000 0.396 29 G N 1.659 110.526 108.800 0.112 0.000 2.157 29 G HA2 -0.192 3.768 3.960 0.000 0.000 0.239 29 G HA3 -0.192 3.768 3.960 0.000 0.000 0.239 29 G C 0.402 175.321 174.900 0.031 0.000 0.982 29 G CA 0.280 45.435 45.100 0.091 0.000 0.650 29 G HN 0.349 nan 8.290 nan 0.000 0.527 30 V N 0.224 120.137 119.914 -0.002 0.000 2.394 30 V HA 0.871 4.991 4.120 0.000 0.000 0.282 30 V C 0.251 176.283 176.094 -0.104 0.000 1.031 30 V CA -0.746 61.529 62.300 -0.040 0.000 0.881 30 V CB 1.346 33.147 31.823 -0.037 0.000 0.982 30 V HN 1.117 nan 8.190 nan 0.000 0.451 31 I N 3.492 123.997 120.570 -0.109 0.000 2.509 31 I HA 0.786 4.956 4.170 0.000 0.000 0.293 31 I C -2.895 173.186 176.117 -0.059 0.000 1.020 31 I CA -2.825 58.375 61.300 -0.168 0.000 1.088 31 I CB 2.458 40.341 38.000 -0.195 0.000 1.267 31 I HN 0.371 nan 8.210 nan 0.000 0.430 32 P HA 0.183 nan 4.420 nan 0.000 0.280 32 P C 0.505 177.887 177.300 0.137 0.000 1.300 32 P CA -0.230 62.899 63.100 0.048 0.000 0.785 32 P CB 0.985 32.718 31.700 0.057 0.000 0.874 33 T N -0.714 113.881 114.554 0.067 0.000 3.044 33 T HA 0.183 4.533 4.350 0.000 0.000 0.250 33 T C 0.565 175.273 174.700 0.014 0.000 1.081 33 T CA 0.252 62.383 62.100 0.051 0.000 1.040 33 T CB -0.170 68.707 68.868 0.015 0.000 0.962 33 T HN 0.175 nan 8.240 nan 0.000 0.506 34 N N 0.609 119.320 118.700 0.017 0.000 2.446 34 N HA 0.429 5.169 4.740 0.000 0.000 0.272 34 N C -1.935 173.577 175.510 0.003 0.000 1.127 34 N CA -0.430 52.620 53.050 0.001 0.000 0.896 34 N CB 2.911 41.395 38.487 -0.004 0.000 1.658 34 N HN 0.222 nan 8.380 nan 0.000 0.483 35 V N -0.367 119.544 119.914 -0.005 0.000 2.525 35 V HA 0.713 4.833 4.120 0.000 0.000 0.299 35 V C -0.282 175.802 176.094 -0.016 0.000 1.034 35 V CA -0.717 61.578 62.300 -0.009 0.000 0.863 35 V CB 1.635 33.455 31.823 -0.005 0.000 0.999 35 V HN 0.537 nan 8.190 nan 0.000 0.423 36 R N 2.860 123.347 120.500 -0.022 0.000 2.888 36 R HA 0.624 4.964 4.340 0.000 0.000 0.266 36 R C -0.952 175.326 176.300 -0.037 0.000 1.020 36 R CA -0.864 55.222 56.100 -0.023 0.000 0.963 36 R CB 2.532 32.824 30.300 -0.014 0.000 1.197 36 R HN 0.800 nan 8.270 nan 0.000 0.481 37 Q N 1.005 120.785 119.800 -0.032 0.000 2.230 37 Q HA 0.309 4.649 4.340 0.000 0.000 0.248 37 Q C -0.885 175.089 176.000 -0.044 0.000 0.915 37 Q CA -0.784 54.996 55.803 -0.039 0.000 0.900 37 Q CB 1.545 30.267 28.738 -0.027 0.000 1.229 37 Q HN 0.178 nan 8.270 nan 0.000 0.439 38 L N 2.396 123.579 121.223 -0.067 0.000 2.325 38 L HA 0.490 4.830 4.340 0.000 0.000 0.279 38 L C -1.115 175.743 176.870 -0.021 0.000 1.054 38 L CA 0.213 55.010 54.840 -0.071 0.000 0.804 38 L CB 1.086 43.047 42.059 -0.164 0.000 1.200 38 L HN 0.641 nan 8.230 nan 0.000 0.436 39 M N 5.582 125.199 119.600 0.029 0.000 2.395 39 M HA 0.469 4.949 4.480 0.000 0.000 0.307 39 M C -0.853 175.527 176.300 0.134 0.000 1.091 39 M CA -0.410 54.931 55.300 0.067 0.000 0.919 39 M CB 1.734 34.379 32.600 0.074 0.000 1.662 39 M HN 0.641 nan 8.290 nan 0.000 0.440 40 Y N 1.067 121.438 120.300 0.117 0.000 2.453 40 Y HA 0.569 5.119 4.550 0.000 0.000 0.326 40 Y C -1.271 174.817 175.900 0.313 0.000 1.186 40 Y CA -1.134 57.047 58.100 0.136 0.000 1.200 40 Y CB 0.609 39.083 38.460 0.024 0.000 1.247 40 Y HN 0.740 nan 8.280 nan 0.000 0.482 41 Y N 3.567 123.807 120.300 -0.100 0.000 2.650 41 Y HA 0.149 4.699 4.550 0.000 0.000 0.343 41 Y C 1.453 177.301 175.900 -0.086 0.000 1.078 41 Y CA -0.327 57.718 58.100 -0.092 0.000 1.356 41 Y CB 0.502 38.897 38.460 -0.109 0.000 1.204 41 Y HN 0.963 nan 8.280 nan 0.000 0.508 42 T N 0.286 114.879 114.554 0.065 0.000 2.588 42 T HA -0.136 4.214 4.350 0.000 0.000 0.261 42 T C 0.554 175.268 174.700 0.024 0.000 1.069 42 T CA 1.257 63.373 62.100 0.026 0.000 1.172 42 T CB -0.004 68.870 68.868 0.010 0.000 0.863 42 T HN 0.542 nan 8.240 nan 0.000 0.408 43 E N 0.408 120.613 120.200 0.010 0.000 2.573 43 E HA 0.760 5.110 4.350 0.000 0.000 0.218 43 E C -1.061 175.539 176.600 0.000 0.000 0.777 43 E CA -1.328 55.080 56.400 0.013 0.000 0.970 43 E CB 1.510 31.216 29.700 0.011 0.000 1.666 43 E HN 0.463 nan 8.360 nan 0.000 0.384 44 A N 0.460 123.285 122.820 0.008 0.000 2.590 44 A HA 0.495 4.815 4.320 0.000 0.000 0.296 44 A C -1.224 176.385 177.584 0.042 0.000 1.050 44 A CA -0.702 51.339 52.037 0.006 0.000 0.697 44 A CB 1.258 20.268 19.000 0.016 0.000 1.277 44 A HN 0.531 nan 8.150 nan 0.000 0.411 45 S N 0.671 116.416 115.700 0.076 0.000 2.593 45 S HA 0.923 5.393 4.470 0.000 0.000 0.297 45 S C 0.124 174.857 174.600 0.221 0.000 1.112 45 S CA 0.172 58.457 58.200 0.142 0.000 1.043 45 S CB 1.488 64.807 63.200 0.198 0.000 1.054 45 S HN 2.200 nan 8.310 nan 0.000 0.516 46 S N 0.126 115.897 115.700 0.119 0.000 2.685 46 S HA 0.958 5.428 4.470 0.000 0.000 0.282 46 S C -0.834 173.647 174.600 -0.199 0.000 1.159 46 S CA -0.679 57.533 58.200 0.020 0.000 0.833 46 S CB 1.250 64.394 63.200 -0.093 0.000 1.151 46 S HN 1.919 nan 8.310 nan 0.000 0.485 47 A N 0.325 122.942 122.820 -0.339 0.000 2.604 47 A HA 0.757 5.077 4.320 0.000 0.000 0.295 47 A C -1.865 175.515 177.584 -0.340 0.000 1.067 47 A CA -0.743 51.101 52.037 -0.322 0.000 0.683 47 A CB 0.768 19.440 19.000 -0.546 0.000 1.281 47 A HN 0.660 nan 8.150 nan 0.000 0.407 48 F N 1.503 121.401 119.950 -0.087 0.000 2.443 48 F HA 0.664 5.191 4.527 0.000 0.000 0.335 48 F C 0.197 175.977 175.800 -0.033 0.000 1.104 48 F CA -0.657 57.320 58.000 -0.039 0.000 1.013 48 F CB 1.593 40.576 39.000 -0.029 0.000 1.136 48 F HN 0.260 nan 8.300 nan 0.000 0.470 49 I N 3.444 124.099 120.570 0.141 0.000 2.569 49 I HA 0.445 4.615 4.170 0.000 0.000 0.296 49 I C -0.737 175.451 176.117 0.118 0.000 1.028 49 I CA -1.079 60.281 61.300 0.100 0.000 1.082 49 I CB 1.972 40.013 38.000 0.069 0.000 1.264 49 I HN 0.156 nan 8.210 nan 0.000 0.429 50 V N 5.903 125.874 119.914 0.095 0.000 2.378 50 V HA 0.372 4.492 4.120 0.000 0.000 0.288 50 V C -0.005 176.145 176.094 0.093 0.000 1.016 50 V CA -0.828 61.526 62.300 0.090 0.000 0.840 50 V CB 1.695 33.558 31.823 0.067 0.000 0.994 50 V HN 0.386 nan 8.190 nan 0.000 0.431 51 V N 5.077 125.058 119.914 0.111 0.000 2.353 51 V HA 0.229 4.349 4.120 0.000 0.000 0.264 51 V C 0.585 176.760 176.094 0.136 0.000 1.049 51 V CA -0.444 61.935 62.300 0.133 0.000 0.896 51 V CB 1.026 32.952 31.823 0.172 0.000 1.025 51 V HN 0.892 nan 8.190 nan 0.000 0.475 52 K N 5.160 125.633 120.400 0.122 0.000 2.220 52 K HA 0.289 4.609 4.320 0.000 0.000 0.283 52 K C 0.744 177.441 176.600 0.162 0.000 1.098 52 K CA -0.340 56.021 56.287 0.123 0.000 0.928 52 K CB 0.328 32.883 32.500 0.090 0.000 1.214 52 K HN 0.655 nan 8.250 nan 0.000 0.442 53 L N 3.012 124.360 121.223 0.208 0.000 2.376 53 L HA -0.004 4.336 4.340 0.000 0.000 0.219 53 L C 0.914 178.008 176.870 0.373 0.000 1.133 53 L CA 0.411 55.449 54.840 0.330 0.000 0.816 53 L CB -0.143 42.069 42.059 0.255 0.000 0.933 53 L HN 0.647 nan 8.230 nan 0.000 0.449 54 M N 0.733 120.475 119.600 0.237 0.000 2.101 54 M HA 0.438 4.918 4.480 0.000 0.000 0.340 54 M C -2.576 173.770 176.300 0.076 0.000 1.057 54 M CA -2.768 52.649 55.300 0.196 0.000 0.984 54 M CB 1.080 33.774 32.600 0.157 0.000 1.560 54 M HN -0.333 nan 8.290 nan 0.000 0.435 55 P HA 0.178 nan 4.420 nan 0.000 0.269 55 P C -0.896 176.393 177.300 -0.018 0.000 1.209 55 P CA -0.126 62.950 63.100 -0.040 0.000 0.776 55 P CB 0.453 32.090 31.700 -0.107 0.000 0.876 56 T N 3.294 117.841 114.554 -0.012 0.000 2.845 56 T HA 0.488 4.838 4.350 0.000 0.000 0.288 56 T C 0.175 174.866 174.700 -0.016 0.000 0.980 56 T CA -0.057 62.040 62.100 -0.005 0.000 1.071 56 T CB -0.061 68.810 68.868 0.005 0.000 0.941 56 T HN 0.201 nan 8.240 nan 0.000 0.487 57 I N 3.343 123.904 120.570 -0.015 0.000 2.468 57 I HA 0.240 4.410 4.170 0.000 0.000 0.284 57 I C -0.033 176.078 176.117 -0.011 0.000 1.038 57 I CA -0.713 60.576 61.300 -0.018 0.000 1.083 57 I CB 1.885 39.870 38.000 -0.025 0.000 1.223 57 I HN 0.672 nan 8.210 nan 0.000 0.443 58 D N 2.233 122.628 120.400 -0.008 0.000 2.338 58 D HA -0.041 4.599 4.640 0.000 0.000 0.208 58 D C 0.880 177.177 176.300 -0.005 0.000 0.997 58 D CA 0.127 54.124 54.000 -0.005 0.000 0.880 58 D CB -0.028 40.771 40.800 -0.002 0.000 0.980 58 D HN 0.407 nan 8.370 nan 0.000 0.509 59 S N 1.101 116.798 115.700 -0.006 0.000 2.573 59 S HA 0.121 4.591 4.470 0.000 0.000 0.297 59 S C -2.388 172.209 174.600 -0.006 0.000 1.280 59 S CA -1.077 57.120 58.200 -0.006 0.000 1.061 59 S CB -0.015 63.181 63.200 -0.007 0.000 0.812 59 S HN -0.029 nan 8.310 nan 0.000 0.500 60 P HA 0.304 nan 4.420 nan 0.000 0.268 60 P C -0.611 176.686 177.300 -0.005 0.000 1.204 60 P CA -0.076 63.022 63.100 -0.004 0.000 0.768 60 P CB 0.300 31.998 31.700 -0.003 0.000 0.842 61 I N 1.821 122.387 120.570 -0.006 0.000 2.493 61 I HA 0.556 4.726 4.170 0.000 0.000 0.298 61 I C -0.115 176.000 176.117 -0.005 0.000 0.998 61 I CA -0.448 60.848 61.300 -0.006 0.000 1.137 61 I CB 1.927 39.923 38.000 -0.007 0.000 1.310 61 I HN 0.347 nan 8.210 nan 0.000 0.445 62 S N 2.297 117.994 115.700 -0.004 0.000 2.570 62 S HA 0.564 5.034 4.470 0.000 0.000 0.286 62 S C -0.077 174.521 174.600 -0.003 0.000 1.143 62 S CA -0.274 57.924 58.200 -0.003 0.000 0.921 62 S CB 1.349 64.548 63.200 -0.003 0.000 1.108 62 S HN 1.400 nan 8.310 nan 0.000 0.456 63 G N 0.330 109.128 108.800 -0.003 0.000 2.295 63 G HA2 -0.081 3.879 3.960 0.000 0.000 0.287 63 G HA3 -0.081 3.879 3.960 0.000 0.000 0.287 63 G C 0.288 175.187 174.900 -0.002 0.000 1.055 63 G CA 0.240 45.339 45.100 -0.002 0.000 0.922 63 G HN 2.117 nan 8.290 nan 0.000 0.503 64 c N -0.334 118.264 118.600 -0.003 0.000 3.289 64 c HA 0.717 5.287 4.570 0.000 0.000 0.354 64 c C -1.177 172.911 174.090 -0.003 0.000 1.201 64 c CA -0.646 55.681 56.329 -0.003 0.000 1.199 64 c CB 1.788 44.296 42.510 -0.004 0.000 1.511 64 c HN 0.819 nan 8.230 nan 0.000 0.506 65 N N 4.254 122.953 118.700 -0.003 0.000 2.540 65 N HA 0.401 5.141 4.740 0.000 0.000 0.275 65 N C -0.838 174.671 175.510 -0.002 0.000 1.053 65 N CA -0.490 52.559 53.050 -0.002 0.000 0.876 65 N CB 0.858 39.344 38.487 -0.001 0.000 1.284 65 N HN 0.679 nan 8.380 nan 0.000 0.518 66 I N 3.835 124.403 120.570 -0.004 0.000 2.471 66 I HA 0.021 4.191 4.170 0.000 0.000 0.294 66 I C 1.951 178.069 176.117 0.003 0.000 1.123 66 I CA 0.167 61.464 61.300 -0.004 0.000 1.336 66 I CB -0.650 37.344 38.000 -0.010 0.000 1.430 66 I HN 0.554 nan 8.210 nan 0.000 0.533 67 T N 1.254 115.811 114.554 0.006 0.000 2.937 67 T HA -0.125 4.225 4.350 0.000 0.000 0.260 67 T C 1.847 176.563 174.700 0.025 0.000 1.051 67 T CA 0.961 63.069 62.100 0.014 0.000 1.141 67 T CB -0.255 68.620 68.868 0.012 0.000 0.879 67 T HN 0.583 nan 8.240 nan 0.000 0.459 68 S N 2.254 117.967 115.700 0.022 0.000 2.407 68 S HA -0.129 4.341 4.470 0.000 0.000 0.235 68 S C 2.002 176.641 174.600 0.066 0.000 1.036 68 S CA 1.274 59.496 58.200 0.037 0.000 1.013 68 S CB -1.124 62.084 63.200 0.013 0.000 0.820 68 S HN 0.598 nan 8.310 nan 0.000 0.476 69 I N 1.786 122.381 120.570 0.043 0.000 2.315 69 I HA -0.152 4.018 4.170 0.000 0.000 0.248 69 I C 2.661 178.844 176.117 0.110 0.000 1.117 69 I CA 1.272 62.613 61.300 0.068 0.000 1.404 69 I CB -0.554 37.461 38.000 0.025 0.000 1.071 69 I HN 0.323 nan 8.210 nan 0.000 0.419 70 S N 0.494 116.233 115.700 0.065 0.000 2.356 70 S HA -0.158 4.312 4.470 0.000 0.000 0.223 70 S C 2.196 176.830 174.600 0.057 0.000 1.032 70 S CA 1.698 59.927 58.200 0.049 0.000 1.005 70 S CB -0.292 62.923 63.200 0.026 0.000 0.867 70 S HN 0.400 nan 8.310 nan 0.000 0.449 71 S N 1.050 116.790 115.700 0.066 0.000 2.351 71 S HA -0.173 4.297 4.470 0.000 0.000 0.220 71 S C 1.669 176.316 174.600 0.077 0.000 1.035 71 S CA 1.580 59.816 58.200 0.060 0.000 1.031 71 S CB -0.773 62.465 63.200 0.064 0.000 0.928 71 S HN 0.596 nan 8.310 nan 0.000 0.433 72 Y N 3.498 123.804 120.300 0.009 0.000 2.102 72 Y HA -0.278 4.272 4.550 0.000 0.000 0.280 72 Y C 2.451 178.358 175.900 0.013 0.000 1.178 72 Y CA 1.965 60.077 58.100 0.019 0.000 1.146 72 Y CB -0.603 37.877 38.460 0.032 0.000 0.968 72 Y HN 0.264 nan 8.280 nan 0.000 0.504 73 N N 0.647 119.384 118.700 0.061 0.000 2.120 73 N HA -0.203 4.537 4.740 0.000 0.000 0.188 73 N C 1.886 177.334 175.510 -0.103 0.000 1.024 73 N CA 1.663 54.692 53.050 -0.036 0.000 0.852 73 N CB -0.447 38.066 38.487 0.043 0.000 1.003 73 N HN 0.540 nan 8.380 nan 0.000 0.424 74 A N 0.131 122.915 122.820 -0.061 0.000 1.855 74 A HA -0.079 4.241 4.320 0.000 0.000 0.215 74 A C 2.408 179.938 177.584 -0.090 0.000 1.191 74 A CA 2.137 54.138 52.037 -0.060 0.000 0.613 74 A CB -1.218 17.765 19.000 -0.029 0.000 0.829 74 A HN 0.444 nan 8.150 nan 0.000 0.442 75 T N -0.328 114.165 114.554 -0.102 0.000 2.746 75 T HA -0.114 4.236 4.350 0.000 0.000 0.267 75 T C 1.866 176.467 174.700 -0.164 0.000 1.039 75 T CA 1.597 63.633 62.100 -0.107 0.000 1.142 75 T CB -0.423 68.395 68.868 -0.083 0.000 0.866 75 T HN 0.124 nan 8.240 nan 0.000 0.444 76 V N 1.606 121.350 119.914 -0.284 0.000 2.427 76 V HA -0.168 3.952 4.120 0.000 0.000 0.248 76 V C 2.763 178.720 176.094 -0.229 0.000 1.051 76 V CA 1.915 64.022 62.300 -0.322 0.000 1.048 76 V CB -1.050 30.442 31.823 -0.551 0.000 0.666 76 V HN 0.542 nan 8.190 nan 0.000 0.456 77 T N -0.130 114.315 114.554 -0.182 0.000 2.788 77 T HA -0.157 4.193 4.350 0.000 0.000 0.268 77 T C 2.257 176.888 174.700 -0.115 0.000 1.044 77 T CA 1.966 63.988 62.100 -0.131 0.000 1.139 77 T CB -0.330 68.483 68.868 -0.091 0.000 0.867 77 T HN 0.681 nan 8.240 nan 0.000 0.454 78 K N 1.327 121.666 120.400 -0.102 0.000 2.001 78 K HA 0.141 4.461 4.320 0.000 0.000 0.208 78 K C 2.121 178.668 176.600 -0.087 0.000 1.048 78 K CA 1.448 57.689 56.287 -0.078 0.000 0.932 78 K CB -1.396 31.070 32.500 -0.058 0.000 0.715 78 K HN 0.326 nan 8.250 nan 0.000 0.437 79 L N 0.157 121.321 121.223 -0.099 0.000 2.263 79 L HA -0.011 4.329 4.340 0.000 0.000 0.216 79 L C 1.865 178.640 176.870 -0.158 0.000 1.111 79 L CA 1.454 56.239 54.840 -0.091 0.000 0.773 79 L CB -0.063 41.947 42.059 -0.083 0.000 0.906 79 L HN 0.407 nan 8.230 nan 0.000 0.439 80 L N -1.640 119.457 121.223 -0.209 0.000 2.728 80 L HA 0.109 4.449 4.340 0.000 0.000 0.238 80 L C 2.025 178.800 176.870 -0.159 0.000 1.143 80 L CA -0.024 54.658 54.840 -0.264 0.000 0.937 80 L CB -0.080 41.786 42.059 -0.323 0.000 1.225 80 L HN 0.326 nan 8.230 nan 0.000 0.507 81 Q N 1.192 120.925 119.800 -0.111 0.000 2.050 81 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 81 Q C -0.574 175.386 176.000 -0.066 0.000 0.980 81 Q CA 1.835 57.592 55.803 -0.077 0.000 0.840 81 Q CB -0.419 28.283 28.738 -0.060 0.000 0.898 81 Q HN 0.294 nan 8.270 nan 0.000 0.424 82 P HA -0.194 nan 4.420 nan 0.000 0.214 82 P C 1.106 178.378 177.300 -0.046 0.000 1.163 82 P CA 1.158 64.226 63.100 -0.053 0.000 0.883 82 P CB -0.085 31.581 31.700 -0.056 0.000 0.788 83 I N -0.715 119.821 120.570 -0.056 0.000 2.179 83 I HA -0.155 4.015 4.170 0.000 0.000 0.242 83 I C 2.431 178.521 176.117 -0.045 0.000 1.088 83 I CA 2.258 63.532 61.300 -0.043 0.000 1.357 83 I CB -2.078 35.879 38.000 -0.073 0.000 1.051 83 I HN 0.038 nan 8.210 nan 0.000 0.409 84 G N 0.276 109.037 108.800 -0.065 0.000 2.446 84 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 84 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 84 G C 1.640 176.520 174.900 -0.034 0.000 1.168 84 G CA 0.677 45.747 45.100 -0.050 0.000 0.771 84 G HN 0.399 nan 8.290 nan 0.000 0.551 85 E N 0.025 120.204 120.200 -0.035 0.000 2.038 85 E HA -0.174 4.176 4.350 0.000 0.000 0.195 85 E C 2.491 179.079 176.600 -0.021 0.000 1.000 85 E CA 0.890 57.275 56.400 -0.026 0.000 0.803 85 E CB -0.131 29.552 29.700 -0.028 0.000 0.750 85 E HN 0.342 nan 8.360 nan 0.000 0.448 86 N N 0.829 119.516 118.700 -0.021 0.000 2.036 86 N HA -0.199 4.541 4.740 0.000 0.000 0.195 86 N C 1.981 177.483 175.510 -0.013 0.000 1.037 86 N CA 1.038 54.078 53.050 -0.016 0.000 0.855 86 N CB -0.251 38.227 38.487 -0.014 0.000 1.033 86 N HN 0.102 nan 8.380 nan 0.000 0.423 87 L N 1.993 123.208 121.223 -0.013 0.000 2.079 87 L HA -0.118 4.222 4.340 0.000 0.000 0.210 87 L C 2.361 179.225 176.870 -0.011 0.000 1.081 87 L CA 1.765 56.599 54.840 -0.009 0.000 0.752 87 L CB -0.776 41.278 42.059 -0.009 0.000 0.896 87 L HN 0.306 nan 8.230 nan 0.000 0.433 88 E N -1.672 118.521 120.200 -0.013 0.000 2.046 88 E HA -0.182 4.168 4.350 0.000 0.000 0.190 88 E C 1.903 178.498 176.600 -0.009 0.000 0.982 88 E CA 1.497 57.891 56.400 -0.011 0.000 0.800 88 E CB -0.049 29.644 29.700 -0.012 0.000 0.756 88 E HN 0.492 nan 8.360 nan 0.000 0.449 89 T N 1.515 116.063 114.554 -0.010 0.000 2.635 89 T HA -0.190 4.161 4.350 0.000 0.000 0.267 89 T C 1.914 176.610 174.700 -0.007 0.000 1.040 89 T CA 1.719 63.814 62.100 -0.008 0.000 1.156 89 T CB -0.248 68.615 68.868 -0.009 0.000 0.863 89 T HN 0.188 nan 8.240 nan 0.000 0.430 90 I N 0.066 120.631 120.570 -0.009 0.000 2.163 90 I HA -0.122 4.048 4.170 0.000 0.000 0.240 90 I C 2.667 178.777 176.117 -0.013 0.000 1.081 90 I CA 1.265 62.559 61.300 -0.010 0.000 1.353 90 I CB -0.339 37.653 38.000 -0.013 0.000 1.054 90 I HN 0.135 nan 8.210 nan 0.000 0.407 91 R N 1.317 121.809 120.500 -0.015 0.000 1.966 91 R HA -0.120 4.220 4.340 0.000 0.000 0.170 91 R C 1.397 177.691 176.300 -0.009 0.000 1.036 91 R CA 1.282 57.371 56.100 -0.017 0.000 1.316 91 R CB -0.427 29.863 30.300 -0.016 0.000 0.696 91 R HN 0.089 nan 8.270 nan 0.000 0.572 92 N N 0.741 119.436 118.700 -0.007 0.000 2.944 92 N HA -0.097 4.643 4.740 0.000 0.000 0.288 92 N C -0.031 175.479 175.510 -0.001 0.000 1.334 92 N CA 0.726 53.774 53.050 -0.003 0.000 1.063 92 N CB 0.164 38.648 38.487 -0.005 0.000 1.386 92 N HN 0.378 nan 8.380 nan 0.000 0.552 93 Q N -1.535 118.266 119.800 0.001 0.000 2.305 93 Q HA 0.185 4.525 4.340 0.000 0.000 0.176 93 Q C 0.535 176.539 176.000 0.007 0.000 0.708 93 Q CA 0.138 55.943 55.803 0.003 0.000 0.888 93 Q CB 0.353 29.090 28.738 -0.001 0.000 1.240 93 Q HN 0.349 nan 8.270 nan 0.000 0.392 94 L N -0.284 120.943 121.223 0.007 0.000 3.066 94 L HA 0.214 4.554 4.340 0.000 0.000 0.272 94 L C 1.512 178.394 176.870 0.019 0.000 1.101 94 L CA -0.002 54.845 54.840 0.012 0.000 1.022 94 L CB 0.581 42.644 42.059 0.008 0.000 1.600 94 L HN 0.095 nan 8.230 nan 0.000 0.559 95 I N 1.280 121.857 120.570 0.012 0.000 2.494 95 I HA 0.010 4.180 4.170 0.000 0.000 0.250 95 I C -0.426 175.718 176.117 0.044 0.000 1.112 95 I CA 1.086 62.397 61.300 0.018 0.000 1.438 95 I CB -1.787 36.203 38.000 -0.017 0.000 1.111 95 I HN 0.149 nan 8.210 nan 0.000 0.431 96 P HA 0.081 nan 4.420 nan 0.000 0.252 96 P C 0.095 177.442 177.300 0.079 0.000 1.218 96 P CA 0.634 63.780 63.100 0.077 0.000 0.807 96 P CB 0.578 32.296 31.700 0.031 0.000 1.072 101 R N 0.706 121.232 120.500 0.042 0.000 2.538 101 R HA 0.732 5.072 4.340 0.000 0.000 0.292 101 R C -0.124 176.217 176.300 0.070 0.000 1.008 101 R CA -0.112 56.014 56.100 0.044 0.000 0.896 101 R CB 0.555 30.877 30.300 0.037 0.000 1.187 101 R HN 0.577 nan 8.270 nan 0.000 0.440 102 R N 2.026 122.562 120.500 0.060 0.000 2.730 102 R HA 0.194 4.534 4.340 0.000 0.000 0.327 102 R C 0.211 176.586 176.300 0.125 0.000 0.825 102 R CA 0.508 56.658 56.100 0.083 0.000 1.130 102 R CB -1.356 28.973 30.300 0.048 0.000 0.883 102 R HN 1.187 nan 8.270 nan 0.000 0.407 103 F N 2.487 122.439 119.950 0.003 0.000 2.657 103 F HA 0.159 4.686 4.527 0.000 0.000 0.354 103 F C 1.295 177.099 175.800 0.007 0.000 1.148 103 F CA 0.885 58.889 58.000 0.007 0.000 1.368 103 F CB 0.409 39.416 39.000 0.011 0.000 1.036 103 F HN 0.689 nan 8.300 nan 0.000 0.619 104 A N 2.796 125.144 122.820 -0.785 0.000 1.969 104 A HA 0.529 4.849 4.320 0.000 0.000 0.205 104 A C 1.483 178.600 177.584 -0.778 0.000 1.364 104 A CA 0.833 52.514 52.037 -0.593 0.000 0.756 104 A CB -0.361 18.431 19.000 -0.348 0.000 0.988 104 A HN 1.439 nan 8.150 nan 0.000 0.490 105 G N -2.156 105.909 108.800 -1.226 0.000 3.990 105 G HA2 0.291 4.251 3.960 0.000 0.000 0.213 105 G HA3 0.291 4.251 3.960 0.000 0.000 0.213 105 G C -0.321 174.393 174.900 -0.309 0.000 0.849 105 G CA 0.546 45.255 45.100 -0.653 0.000 0.857 105 G HN 0.619 nan 8.290 nan 0.000 0.484 106 V N 1.528 121.261 119.914 -0.302 0.000 2.769 106 V HA 0.689 4.809 4.120 0.000 0.000 0.312 106 V C 0.159 176.401 176.094 0.248 0.000 1.061 106 V CA -0.868 61.456 62.300 0.039 0.000 0.931 106 V CB 2.155 33.974 31.823 -0.006 0.000 1.010 106 V HN 0.067 nan 8.190 nan 0.000 0.433 107 V N 5.046 125.147 119.914 0.311 0.000 2.546 107 V HA 0.455 4.575 4.120 0.000 0.000 0.284 107 V C -0.076 176.112 176.094 0.157 0.000 1.050 107 V CA -0.090 62.390 62.300 0.299 0.000 0.981 107 V CB 1.343 33.267 31.823 0.168 0.000 0.990 107 V HN 0.609 nan 8.190 nan 0.000 0.474 108 I N 2.927 123.582 120.570 0.142 0.000 2.569 108 I HA 0.660 4.830 4.170 0.000 0.000 0.296 108 I C 0.969 177.122 176.117 0.060 0.000 1.028 108 I CA -0.251 61.099 61.300 0.083 0.000 1.082 108 I CB 1.873 39.918 38.000 0.074 0.000 1.264 108 I HN 0.800 nan 8.210 nan 0.000 0.429 109 G N 4.170 112.994 108.800 0.040 0.000 2.141 109 G HA2 -0.231 3.729 3.960 0.000 0.000 0.242 109 G HA3 -0.231 3.729 3.960 0.000 0.000 0.242 109 G C 0.692 175.605 174.900 0.021 0.000 0.982 109 G CA -0.021 45.096 45.100 0.028 0.000 0.662 109 G HN 0.606 nan 8.290 nan 0.000 0.527 110 L N -0.148 121.089 121.223 0.023 0.000 2.357 110 L HA -0.141 4.199 4.340 0.000 0.000 0.220 110 L C 3.092 179.967 176.870 0.009 0.000 1.123 110 L CA 1.598 56.447 54.840 0.015 0.000 0.782 110 L CB -0.510 41.560 42.059 0.018 0.000 0.910 110 L HN 0.529 nan 8.230 nan 0.000 0.442 111 A N 0.016 122.842 122.820 0.009 0.000 2.125 111 A HA -0.097 4.223 4.320 0.000 0.000 0.219 111 A C 2.536 180.122 177.584 0.003 0.000 1.156 111 A CA 1.343 53.383 52.037 0.005 0.000 0.671 111 A CB -0.416 18.588 19.000 0.006 0.000 0.794 111 A HN 0.421 nan 8.150 nan 0.000 0.459 112 A N -0.077 122.746 122.820 0.004 0.000 2.024 112 A HA -0.044 4.276 4.320 0.000 0.000 0.220 112 A C 1.907 179.490 177.584 -0.002 0.000 1.164 112 A CA 1.407 53.445 52.037 0.001 0.000 0.643 112 A CB -0.510 18.492 19.000 0.003 0.000 0.806 112 A HN 0.518 nan 8.150 nan 0.000 0.451 113 L N -1.523 119.699 121.223 -0.002 0.000 2.554 113 L HA 0.207 4.547 4.340 0.000 0.000 0.226 113 L C 1.811 178.677 176.870 -0.006 0.000 1.137 113 L CA 0.314 55.151 54.840 -0.005 0.000 0.863 113 L CB -0.885 41.171 42.059 -0.005 0.000 0.985 113 L HN 0.624 nan 8.230 nan 0.000 0.451 114 G N 0.600 109.398 108.800 -0.005 0.000 2.536 114 G HA2 -0.313 3.647 3.960 0.000 0.000 0.277 114 G HA3 -0.313 3.647 3.960 0.000 0.000 0.277 114 G C 0.055 174.951 174.900 -0.007 0.000 1.155 114 G CA 0.057 45.154 45.100 -0.006 0.000 0.960 114 G HN 0.300 nan 8.290 nan 0.000 0.544 115 V N -1.428 118.481 119.914 -0.009 0.000 2.394 115 V HA 0.913 5.033 4.120 0.000 0.000 0.282 115 V C 0.371 176.457 176.094 -0.012 0.000 1.031 115 V CA 0.387 62.681 62.300 -0.010 0.000 0.881 115 V CB 0.733 32.549 31.823 -0.011 0.000 0.982 115 V HN 2.452 nan 8.190 nan 0.000 0.451 116 A N 3.801 126.613 122.820 -0.013 0.000 2.498 116 A HA 0.951 5.271 4.320 0.000 0.000 0.298 116 A C 0.089 177.660 177.584 -0.022 0.000 1.075 116 A CA -0.167 51.861 52.037 -0.016 0.000 0.714 116 A CB 1.905 20.897 19.000 -0.013 0.000 1.299 116 A HN 1.439 nan 8.150 nan 0.000 0.407 117 T N -1.355 113.182 114.554 -0.029 0.000 2.927 117 T HA 0.575 4.925 4.350 0.000 0.000 0.281 117 T C 1.345 176.017 174.700 -0.046 0.000 0.998 117 T CA 0.129 62.204 62.100 -0.041 0.000 1.019 117 T CB 1.349 70.187 68.868 -0.050 0.000 1.061 117 T HN 1.609 nan 8.240 nan 0.000 0.518 118 A N 1.072 123.854 122.820 -0.063 0.000 1.948 118 A HA 0.066 4.386 4.320 0.000 0.000 0.220 118 A C 2.591 180.133 177.584 -0.070 0.000 1.177 118 A CA 2.116 54.112 52.037 -0.069 0.000 0.636 118 A CB -1.564 17.375 19.000 -0.103 0.000 0.815 118 A HN 1.272 nan 8.150 nan 0.000 0.449 119 A N -0.759 122.007 122.820 -0.090 0.000 1.930 119 A HA -0.182 4.138 4.320 0.000 0.000 0.217 119 A C 2.119 179.684 177.584 -0.031 0.000 1.175 119 A CA 1.553 53.548 52.037 -0.070 0.000 0.627 119 A CB -0.479 18.473 19.000 -0.080 0.000 0.815 119 A HN 0.691 nan 8.150 nan 0.000 0.443 120 Q N -0.562 119.220 119.800 -0.030 0.000 2.123 120 Q HA -0.045 4.295 4.340 0.000 0.000 0.199 120 Q C 2.086 178.079 176.000 -0.011 0.000 0.966 120 Q CA 1.328 57.121 55.803 -0.016 0.000 0.845 120 Q CB -0.306 28.421 28.738 -0.017 0.000 0.907 120 Q HN 0.466 nan 8.270 nan 0.000 0.439 121 V N 0.930 120.836 119.914 -0.013 0.000 2.358 121 V HA -0.243 3.877 4.120 0.000 0.000 0.246 121 V C 2.197 178.292 176.094 0.001 0.000 1.047 121 V CA 2.138 64.435 62.300 -0.005 0.000 1.035 121 V CB -0.785 31.036 31.823 -0.004 0.000 0.658 121 V HN 0.417 nan 8.190 nan 0.000 0.452 122 T N 0.552 115.108 114.554 0.003 0.000 2.665 122 T HA -0.238 4.112 4.350 0.000 0.000 0.268 122 T C 2.046 176.755 174.700 0.015 0.000 1.035 122 T CA 1.858 63.970 62.100 0.019 0.000 1.151 122 T CB -0.471 68.416 68.868 0.031 0.000 0.862 122 T HN 0.585 nan 8.240 nan 0.000 0.438 123 A N 1.245 124.071 122.820 0.009 0.000 1.933 123 A HA 0.159 4.479 4.320 0.000 0.000 0.218 123 A C 2.628 180.208 177.584 -0.006 0.000 1.175 123 A CA 1.841 53.882 52.037 0.006 0.000 0.628 123 A CB -1.030 17.974 19.000 0.007 0.000 0.814 123 A HN 0.520 nan 8.150 nan 0.000 0.444 124 A N -0.647 122.166 122.820 -0.011 0.000 1.902 124 A HA 0.006 4.326 4.320 0.000 0.000 0.217 124 A C 2.214 179.770 177.584 -0.048 0.000 1.181 124 A CA 1.720 53.743 52.037 -0.024 0.000 0.623 124 A CB -0.872 18.118 19.000 -0.017 0.000 0.818 124 A HN 0.371 nan 8.150 nan 0.000 0.443 125 V N -0.250 119.642 119.914 -0.036 0.000 2.407 125 V HA -0.228 3.892 4.120 0.000 0.000 0.248 125 V C 3.015 179.054 176.094 -0.091 0.000 1.055 125 V CA 1.882 64.146 62.300 -0.059 0.000 1.049 125 V CB -1.000 30.822 31.823 -0.000 0.000 0.662 125 V HN 0.616 nan 8.190 nan 0.000 0.455 126 A N -0.718 122.077 122.820 -0.041 0.000 1.930 126 A HA -0.122 4.198 4.320 0.000 0.000 0.217 126 A C 2.250 179.809 177.584 -0.042 0.000 1.175 126 A CA 1.525 53.545 52.037 -0.027 0.000 0.627 126 A CB -0.470 18.532 19.000 0.003 0.000 0.815 126 A HN 0.463 nan 8.150 nan 0.000 0.443 127 L N 0.363 121.559 121.223 -0.046 0.000 1.971 127 L HA -0.207 4.133 4.340 0.000 0.000 0.215 127 L C 2.717 179.537 176.870 -0.083 0.000 1.072 127 L CA 2.467 57.284 54.840 -0.038 0.000 0.758 127 L CB -0.369 41.668 42.059 -0.036 0.000 0.889 127 L HN 0.448 nan 8.230 nan 0.000 0.433 128 V N -2.139 117.670 119.914 -0.176 0.000 2.626 128 V HA -0.259 3.861 4.120 0.000 0.000 0.252 128 V C 2.428 178.303 176.094 -0.365 0.000 1.067 128 V CA 2.072 64.195 62.300 -0.295 0.000 1.081 128 V CB -0.741 30.805 31.823 -0.462 0.000 0.686 128 V HN 0.510 nan 8.190 nan 0.000 0.468 129 K N 0.994 121.207 120.400 -0.311 0.000 2.155 129 K HA 0.077 4.397 4.320 0.000 0.000 0.203 129 K C 1.984 178.574 176.600 -0.016 0.000 1.052 129 K CA 1.358 57.540 56.287 -0.174 0.000 0.948 129 K CB -0.356 32.103 32.500 -0.067 0.000 0.728 129 K HN 0.586 nan 8.250 nan 0.000 0.448 130 A N 1.398 124.236 122.820 0.030 0.000 2.238 130 A HA -0.071 4.249 4.320 0.000 0.000 0.208 130 A C 1.643 179.258 177.584 0.051 0.000 1.177 130 A CA 0.440 52.566 52.037 0.148 0.000 0.804 130 A CB -0.705 18.466 19.000 0.285 0.000 0.823 130 A HN 0.533 nan 8.150 nan 0.000 0.482 131 N N 0.529 119.222 118.700 -0.011 0.000 2.037 131 N HA -0.291 4.449 4.740 0.000 0.000 0.196 131 N C 1.713 177.197 175.510 -0.044 0.000 1.034 131 N CA 2.052 55.084 53.050 -0.030 0.000 0.861 131 N CB -0.193 38.265 38.487 -0.049 0.000 1.039 131 N HN 0.715 nan 8.380 nan 0.000 0.427 132 E N 0.365 120.542 120.200 -0.039 0.000 2.023 132 E HA -0.192 4.158 4.350 0.000 0.000 0.196 132 E C 1.837 178.356 176.600 -0.135 0.000 1.003 132 E CA 1.622 57.987 56.400 -0.058 0.000 0.809 132 E CB -0.129 29.555 29.700 -0.027 0.000 0.755 132 E HN 0.522 nan 8.360 nan 0.000 0.449 133 N N -0.043 118.521 118.700 -0.226 0.000 2.069 133 N HA -0.198 4.542 4.740 0.000 0.000 0.191 133 N C 1.972 177.209 175.510 -0.455 0.000 1.031 133 N CA 0.822 53.588 53.050 -0.473 0.000 0.852 133 N CB -0.237 37.650 38.487 -0.999 0.000 1.018 133 N HN 0.180 nan 8.380 nan 0.000 0.423 134 A N 1.419 124.049 122.820 -0.317 0.000 1.940 134 A HA -0.118 4.202 4.320 0.000 0.000 0.219 134 A C 2.368 179.883 177.584 -0.115 0.000 1.176 134 A CA 1.857 53.807 52.037 -0.145 0.000 0.631 134 A CB -0.836 18.161 19.000 -0.006 0.000 0.814 134 A HN 0.382 nan 8.150 nan 0.000 0.446 135 A N -0.124 122.632 122.820 -0.106 0.000 1.858 135 A HA 0.150 4.470 4.320 0.000 0.000 0.216 135 A C 2.569 180.093 177.584 -0.100 0.000 1.190 135 A CA 2.300 54.287 52.037 -0.084 0.000 0.617 135 A CB -1.275 17.686 19.000 -0.066 0.000 0.827 135 A HN 1.216 nan 8.150 nan 0.000 0.443 136 A N -0.001 122.746 122.820 -0.122 0.000 1.927 136 A HA -0.208 4.112 4.320 0.000 0.000 0.220 136 A C 2.139 179.655 177.584 -0.113 0.000 1.185 136 A CA 1.903 53.869 52.037 -0.117 0.000 0.639 136 A CB -0.731 18.184 19.000 -0.141 0.000 0.820 136 A HN 0.552 nan 8.150 nan 0.000 0.451 137 I N -0.881 119.610 120.570 -0.133 0.000 2.233 137 I HA -0.187 3.983 4.170 0.000 0.000 0.243 137 I C 2.213 178.282 176.117 -0.080 0.000 1.093 137 I CA 1.001 62.241 61.300 -0.099 0.000 1.380 137 I CB -0.352 37.592 38.000 -0.093 0.000 1.067 137 I HN 0.254 nan 8.210 nan 0.000 0.413 138 L N 0.775 121.948 121.223 -0.083 0.000 2.362 138 L HA -0.153 4.187 4.340 0.000 0.000 0.219 138 L C 2.008 178.799 176.870 -0.131 0.000 1.134 138 L CA 0.744 55.526 54.840 -0.096 0.000 0.807 138 L CB -0.639 41.373 42.059 -0.079 0.000 0.927 138 L HN 0.327 nan 8.230 nan 0.000 0.447 139 N N 0.406 119.041 118.700 -0.108 0.000 2.453 139 N HA -0.119 4.622 4.740 0.000 0.000 0.183 139 N C 1.195 176.639 175.510 -0.110 0.000 1.041 139 N CA 0.932 53.919 53.050 -0.105 0.000 0.900 139 N CB 0.117 38.555 38.487 -0.082 0.000 0.961 139 N HN 0.295 nan 8.380 nan 0.000 0.443 140 L N 0.333 121.494 121.223 -0.103 0.000 2.965 140 L HA 0.192 4.532 4.340 0.000 0.000 0.254 140 L C 1.639 178.451 176.870 -0.097 0.000 1.220 140 L CA -0.246 54.543 54.840 -0.084 0.000 1.023 140 L CB 0.085 42.111 42.059 -0.055 0.000 1.355 140 L HN 0.188 nan 8.230 nan 0.000 0.545 141 K N -0.521 119.772 120.400 -0.178 0.000 2.160 141 K HA -0.237 4.083 4.320 0.000 0.000 0.206 141 K C 1.572 178.091 176.600 -0.134 0.000 1.047 141 K CA 1.574 57.727 56.287 -0.223 0.000 0.930 141 K CB -0.145 32.050 32.500 -0.508 0.000 0.720 141 K HN 0.237 nan 8.250 nan 0.000 0.450 142 N N 1.253 119.869 118.700 -0.141 0.000 2.080 142 N HA -0.086 4.654 4.740 0.000 0.000 0.189 142 N C 1.927 177.486 175.510 0.082 0.000 1.036 142 N CA 1.673 54.772 53.050 0.082 0.000 0.846 142 N CB -0.271 38.249 38.487 0.056 0.000 1.015 142 N HN 0.379 nan 8.380 nan 0.000 0.423 143 A N 1.449 124.285 122.820 0.026 0.000 1.877 143 A HA -0.078 4.242 4.320 0.000 0.000 0.216 143 A C 2.425 180.029 177.584 0.034 0.000 1.186 143 A CA 1.035 53.087 52.037 0.025 0.000 0.620 143 A CB -0.818 18.185 19.000 0.005 0.000 0.822 143 A HN 0.334 nan 8.150 nan 0.000 0.443 144 I N -0.742 119.844 120.570 0.026 0.000 2.248 144 I HA -0.313 3.857 4.170 0.000 0.000 0.248 144 I C 2.754 178.909 176.117 0.063 0.000 1.107 144 I CA 1.927 63.249 61.300 0.036 0.000 1.373 144 I CB -0.187 37.829 38.000 0.027 0.000 1.055 144 I HN 0.420 nan 8.210 nan 0.000 0.418 145 Q N 0.832 120.693 119.800 0.102 0.000 2.187 145 Q HA -0.112 4.228 4.340 0.000 0.000 0.199 145 Q C 2.043 178.092 176.000 0.081 0.000 0.957 145 Q CA 1.331 57.208 55.803 0.123 0.000 0.857 145 Q CB 0.086 28.961 28.738 0.229 0.000 0.929 145 Q HN 0.164 nan 8.270 nan 0.000 0.453 146 K N -0.014 120.431 120.400 0.074 0.000 2.097 146 K HA 0.034 4.354 4.320 0.000 0.000 0.205 146 K C 0.245 176.865 176.600 0.033 0.000 1.050 146 K CA 0.734 57.050 56.287 0.049 0.000 0.938 146 K CB -0.620 31.907 32.500 0.045 0.000 0.718 146 K HN 0.159 nan 8.250 nan 0.000 0.442 147 T N 2.949 117.522 114.554 0.032 0.000 2.817 147 T HA -0.002 4.348 4.350 0.000 0.000 0.295 147 T C 0.338 175.049 174.700 0.020 0.000 0.958 147 T CA -0.207 61.907 62.100 0.023 0.000 1.157 147 T CB 0.225 69.105 68.868 0.021 0.000 0.898 147 T HN 0.048 nan 8.240 nan 0.000 0.536 148 N N 2.489 121.197 118.700 0.013 0.000 2.420 148 N HA 0.484 5.224 4.740 0.000 0.000 0.249 148 N C -1.021 174.493 175.510 0.006 0.000 1.033 148 N CA -0.342 52.713 53.050 0.008 0.000 0.944 148 N CB 0.586 39.075 38.487 0.004 0.000 1.113 148 N HN 0.829 nan 8.380 nan 0.000 0.502 149 A N 2.302 125.126 122.820 0.006 0.000 2.580 149 A HA 0.578 4.898 4.320 0.000 0.000 0.301 149 A C 0.286 177.872 177.584 0.004 0.000 1.054 149 A CA -0.108 51.932 52.037 0.005 0.000 0.751 149 A CB 0.142 19.147 19.000 0.008 0.000 1.275 149 A HN 0.573 nan 8.150 nan 0.000 0.403 150 A N 1.092 123.912 122.820 -0.000 0.000 1.898 150 A HA 0.393 4.713 4.320 0.000 0.000 0.216 150 A C 0.803 178.391 177.584 0.007 0.000 1.181 150 A CA 2.131 54.166 52.037 -0.003 0.000 0.620 150 A CB -0.193 18.804 19.000 -0.006 0.000 0.819 150 A HN 1.581 nan 8.150 nan 0.000 0.442 151 V N -1.046 118.873 119.914 0.009 0.000 2.577 151 V HA 0.708 4.828 4.120 0.000 0.000 0.303 151 V C -0.309 175.793 176.094 0.012 0.000 1.042 151 V CA -0.123 62.186 62.300 0.014 0.000 0.872 151 V CB 1.123 32.955 31.823 0.014 0.000 0.998 151 V HN 0.697 nan 8.190 nan 0.000 0.423 152 A N 2.766 125.595 122.820 0.015 0.000 2.549 152 A HA 0.759 5.079 4.320 0.000 0.000 0.297 152 A C -1.461 176.130 177.584 0.011 0.000 1.061 152 A CA -0.587 51.457 52.037 0.012 0.000 0.690 152 A CB 1.802 20.810 19.000 0.013 0.000 1.287 152 A HN 0.732 nan 8.150 nan 0.000 0.402 153 D N 0.795 121.199 120.400 0.006 0.000 2.277 153 D HA 0.436 5.076 4.640 0.000 0.000 0.249 153 D C -0.442 175.859 176.300 0.002 0.000 1.134 153 D CA 0.357 54.359 54.000 0.003 0.000 0.863 153 D CB 1.280 42.080 40.800 -0.001 0.000 1.143 153 D HN 0.205 nan 8.370 nan 0.000 0.458 154 V N 4.996 124.911 119.914 0.001 0.000 2.408 154 V HA 0.295 4.415 4.120 0.000 0.000 0.267 154 V C 0.124 176.210 176.094 -0.014 0.000 1.047 154 V CA -0.417 61.880 62.300 -0.006 0.000 0.937 154 V CB 0.794 32.613 31.823 -0.007 0.000 0.999 154 V HN 0.440 nan 8.190 nan 0.000 0.472 155 V N 3.204 123.109 119.914 -0.016 0.000 2.735 155 V HA 0.820 4.940 4.120 0.000 0.000 0.310 155 V C -0.793 175.288 176.094 -0.023 0.000 1.061 155 V CA -0.750 61.539 62.300 -0.018 0.000 0.913 155 V CB 1.798 33.613 31.823 -0.012 0.000 1.005 155 V HN 0.845 nan 8.190 nan 0.000 0.428 156 Q N 3.181 122.966 119.800 -0.026 0.000 2.263 156 Q HA 0.641 4.981 4.340 0.000 0.000 0.266 156 Q C -0.085 175.901 176.000 -0.023 0.000 1.002 156 Q CA -0.011 55.775 55.803 -0.027 0.000 0.790 156 Q CB 1.760 30.476 28.738 -0.037 0.000 1.272 156 Q HN 2.586 nan 8.270 nan 0.000 0.435 157 A N 3.008 125.817 122.820 -0.019 0.000 2.610 157 A HA -0.195 4.125 4.320 0.000 0.000 0.299 157 A C 0.562 178.138 177.584 -0.014 0.000 1.487 157 A CA 1.383 53.410 52.037 -0.015 0.000 0.743 157 A CB -2.731 16.259 19.000 -0.017 0.000 1.070 157 A HN 2.086 nan 8.150 nan 0.000 0.439 158 T N -4.020 110.527 114.554 -0.012 0.000 3.882 158 T HA -0.204 4.146 4.350 0.000 0.000 0.366 158 T C -0.248 174.446 174.700 -0.011 0.000 0.760 158 T CA 2.235 64.329 62.100 -0.010 0.000 1.931 158 T CB -2.407 66.457 68.868 -0.008 0.000 1.807 158 T HN 1.980 nan 8.240 nan 0.000 0.790 159 Q N -0.521 119.270 119.800 -0.014 0.000 2.416 159 Q HA 0.704 5.044 4.340 0.000 0.000 0.281 159 Q C -0.906 175.083 176.000 -0.018 0.000 1.067 159 Q CA -0.936 54.857 55.803 -0.016 0.000 0.809 159 Q CB 2.383 31.109 28.738 -0.020 0.000 1.418 159 Q HN 0.293 nan 8.270 nan 0.000 0.411 160 S N 1.392 117.082 115.700 -0.016 0.000 2.438 160 S HA 0.380 4.850 4.470 0.000 0.000 0.316 160 S C 0.401 174.989 174.600 -0.019 0.000 1.084 160 S CA -0.498 57.693 58.200 -0.016 0.000 1.107 160 S CB 0.306 63.499 63.200 -0.012 0.000 0.981 160 S HN 0.652 nan 8.310 nan 0.000 0.466 161 L N 4.480 125.686 121.223 -0.029 0.000 2.509 161 L HA 0.396 4.736 4.340 0.000 0.000 0.222 161 L C 1.350 178.216 176.870 -0.007 0.000 1.123 161 L CA 0.322 55.131 54.840 -0.052 0.000 0.856 161 L CB -0.471 41.533 42.059 -0.090 0.000 0.985 161 L HN 0.853 nan 8.230 nan 0.000 0.456 162 G N -0.851 107.959 108.800 0.017 0.000 2.351 162 G HA2 0.132 4.092 3.960 0.000 0.000 0.279 162 G HA3 0.132 4.092 3.960 0.000 0.000 0.279 162 G C -1.246 173.670 174.900 0.028 0.000 1.297 162 G CA -0.647 44.486 45.100 0.056 0.000 0.886 162 G HN -0.194 nan 8.290 nan 0.000 0.493 163 T N 0.341 114.917 114.554 0.036 0.000 2.856 163 T HA 0.753 5.103 4.350 0.000 0.000 0.283 163 T C 0.002 174.726 174.700 0.040 0.000 1.008 163 T CA 0.375 62.490 62.100 0.025 0.000 0.997 163 T CB 1.706 70.582 68.868 0.013 0.000 0.992 163 T HN 1.603 nan 8.240 nan 0.000 0.454 164 A N 2.388 125.229 122.820 0.034 0.000 2.271 164 A HA 0.768 5.088 4.320 0.000 0.000 0.317 164 A C 0.078 177.686 177.584 0.041 0.000 1.245 164 A CA -0.711 51.351 52.037 0.041 0.000 0.857 164 A CB 0.318 19.339 19.000 0.035 0.000 1.175 164 A HN 0.953 nan 8.150 nan 0.000 0.512 165 V N 0.836 120.782 119.914 0.052 0.000 2.864 165 V HA 0.930 5.050 4.120 0.000 0.000 0.314 165 V C -0.856 175.267 176.094 0.048 0.000 1.073 165 V CA -0.746 61.582 62.300 0.046 0.000 0.956 165 V CB 1.858 33.714 31.823 0.054 0.000 1.023 165 V HN 0.986 nan 8.190 nan 0.000 0.435 166 Q N 3.088 122.899 119.800 0.019 0.000 2.650 166 Q HA 0.654 4.994 4.340 0.000 0.000 0.239 166 Q C 0.183 176.138 176.000 -0.075 0.000 0.893 166 Q CA 0.243 56.039 55.803 -0.012 0.000 0.755 166 Q CB 1.078 29.813 28.738 -0.005 0.000 1.349 166 Q HN 1.371 nan 8.270 nan 0.000 0.461 167 A N 2.806 125.543 122.820 -0.137 0.000 2.032 167 A HA -0.098 4.222 4.320 0.000 0.000 0.221 167 A C 1.157 178.600 177.584 -0.235 0.000 1.165 167 A CA 2.171 54.089 52.037 -0.199 0.000 0.645 167 A CB 0.006 18.836 19.000 -0.283 0.000 0.807 167 A HN 0.555 nan 8.150 nan 0.000 0.453 168 V N -1.412 118.319 119.914 -0.306 0.000 3.621 168 V HA -0.058 4.062 4.120 0.000 0.000 0.263 168 V C 2.196 178.232 176.094 -0.097 0.000 1.272 168 V CA 1.114 63.286 62.300 -0.212 0.000 1.080 168 V CB 0.220 31.843 31.823 -0.333 0.000 0.816 168 V HN 0.586 nan 8.190 nan 0.000 0.451 169 Q N 1.371 121.117 119.800 -0.090 0.000 2.047 169 Q HA -0.292 4.048 4.340 0.000 0.000 0.211 169 Q C 1.813 177.807 176.000 -0.010 0.000 1.005 169 Q CA 2.697 58.472 55.803 -0.046 0.000 0.866 169 Q CB -0.420 28.298 28.738 -0.032 0.000 0.938 169 Q HN 0.582 nan 8.270 nan 0.000 0.414 170 D N -1.290 119.110 120.400 -0.000 0.000 2.116 170 D HA -0.190 4.450 4.640 0.000 0.000 0.193 170 D C 1.818 178.151 176.300 0.055 0.000 0.998 170 D CA 1.519 55.526 54.000 0.013 0.000 0.836 170 D CB -0.456 40.342 40.800 -0.003 0.000 0.951 170 D HN 0.406 nan 8.370 nan 0.000 0.449 171 H N 0.861 119.898 119.070 -0.054 0.000 2.293 171 H HA -0.073 4.483 4.556 0.000 0.000 0.300 171 H C 2.234 177.532 175.328 -0.051 0.000 1.082 171 H CA 0.789 56.807 56.048 -0.050 0.000 1.308 171 H CB -0.450 29.277 29.762 -0.059 0.000 1.375 171 H HN 0.028 nan 8.280 nan 0.000 0.495 172 I N 1.292 121.888 120.570 0.044 0.000 2.091 172 I HA -0.324 3.846 4.170 0.000 0.000 0.239 172 I C 2.106 178.226 176.117 0.005 0.000 1.061 172 I CA 1.296 62.572 61.300 -0.040 0.000 1.317 172 I CB -1.165 36.787 38.000 -0.079 0.000 1.031 172 I HN 0.309 nan 8.210 nan 0.000 0.401 173 N N 0.530 119.237 118.700 0.012 0.000 2.091 173 N HA -0.198 4.542 4.740 0.000 0.000 0.193 173 N C 2.060 177.584 175.510 0.023 0.000 1.021 173 N CA 1.758 54.815 53.050 0.011 0.000 0.862 173 N CB -0.482 38.009 38.487 0.007 0.000 1.018 173 N HN 0.353 nan 8.380 nan 0.000 0.429 174 S N -0.121 115.608 115.700 0.048 0.000 2.356 174 S HA -0.048 4.422 4.470 0.000 0.000 0.223 174 S C 1.970 176.601 174.600 0.051 0.000 1.032 174 S CA 1.097 59.325 58.200 0.047 0.000 1.005 174 S CB -0.225 63.008 63.200 0.053 0.000 0.867 174 S HN 0.101 nan 8.310 nan 0.000 0.449 175 V N 1.243 121.201 119.914 0.074 0.000 2.599 175 V HA 0.178 4.298 4.120 0.000 0.000 0.245 175 V C 0.913 177.014 176.094 0.013 0.000 1.046 175 V CA 0.485 62.813 62.300 0.047 0.000 1.065 175 V CB 0.073 31.926 31.823 0.051 0.000 0.703 175 V HN 0.340 nan 8.190 nan 0.000 0.464 176 V N 1.442 121.356 119.914 -0.000 0.000 2.617 176 V HA 0.023 4.143 4.120 0.000 0.000 0.304 176 V C 0.756 176.848 176.094 -0.004 0.000 1.040 176 V CA 0.588 62.882 62.300 -0.010 0.000 1.149 176 V CB 1.030 32.842 31.823 -0.018 0.000 0.914 176 V HN 0.451 nan 8.190 nan 0.000 0.487 177 S N 5.709 121.406 115.700 -0.005 0.000 2.593 177 S HA 0.218 4.689 4.470 0.000 0.000 0.269 177 S C -1.246 173.352 174.600 -0.004 0.000 1.334 177 S CA -0.980 57.218 58.200 -0.003 0.000 1.015 177 S CB 1.024 64.222 63.200 -0.003 0.000 0.912 177 S HN 0.644 nan 8.310 nan 0.000 0.541 178 P HA 0.095 nan 4.420 nan 0.000 0.219 178 P C -0.568 176.730 177.300 -0.003 0.000 1.146 178 P CA 1.002 64.100 63.100 -0.002 0.000 0.808 178 P CB 0.146 31.845 31.700 -0.001 0.000 0.779 179 A N -0.881 121.937 122.820 -0.003 0.000 2.465 179 A HA 0.536 4.856 4.320 0.000 0.000 0.292 179 A C -0.924 176.658 177.584 -0.004 0.000 1.041 179 A CA -0.522 51.513 52.037 -0.004 0.000 0.718 179 A CB 0.715 19.713 19.000 -0.003 0.000 1.266 179 A HN -0.116 nan 8.150 nan 0.000 0.403 180 I N 2.877 123.444 120.570 -0.006 0.000 2.331 180 I HA 0.558 4.728 4.170 0.000 0.000 0.292 180 I C 0.629 176.743 176.117 -0.005 0.000 0.998 180 I CA -0.017 61.279 61.300 -0.006 0.000 1.267 180 I CB 1.833 39.828 38.000 -0.008 0.000 1.386 180 I HN 0.835 nan 8.210 nan 0.000 0.476 181 T N 1.499 116.050 114.554 -0.004 0.000 2.812 181 T HA 0.504 4.854 4.350 0.000 0.000 0.294 181 T C 0.834 175.533 174.700 -0.003 0.000 1.159 181 T CA -0.254 61.844 62.100 -0.003 0.000 1.008 181 T CB 1.554 70.421 68.868 -0.003 0.000 1.289 181 T HN 0.484 nan 8.240 nan 0.000 0.514 182 A N 0.295 123.114 122.820 -0.002 0.000 2.042 182 A HA 0.083 4.403 4.320 0.000 0.000 0.222 182 A C 2.420 180.002 177.584 -0.002 0.000 1.167 182 A CA 2.521 54.557 52.037 -0.002 0.000 0.649 182 A CB -1.514 17.485 19.000 -0.002 0.000 0.809 182 A HN 1.353 nan 8.150 nan 0.000 0.457 183 A N -0.263 122.556 122.820 -0.002 0.000 1.898 183 A HA -0.103 4.217 4.320 0.000 0.000 0.214 183 A C 1.985 179.568 177.584 -0.002 0.000 1.183 183 A CA 1.418 53.454 52.037 -0.001 0.000 0.622 183 A CB -0.390 18.609 19.000 -0.001 0.000 0.824 183 A HN 0.579 nan 8.150 nan 0.000 0.444 184 N N -0.427 118.272 118.700 -0.003 0.000 2.148 184 N HA -0.124 4.616 4.740 0.000 0.000 0.186 184 N C 1.737 177.245 175.510 -0.004 0.000 1.031 184 N CA 1.141 54.189 53.050 -0.003 0.000 0.848 184 N CB -0.976 37.508 38.487 -0.004 0.000 1.005 184 N HN 0.485 nan 8.380 nan 0.000 0.427 185 c N 1.849 120.447 118.600 -0.004 0.000 2.209 185 c HA -0.334 4.236 4.570 0.000 0.000 0.226 185 c C 2.700 176.787 174.090 -0.005 0.000 1.020 185 c CA 2.087 58.413 56.329 -0.005 0.000 1.864 185 c CB -1.183 41.325 42.510 -0.003 0.000 1.767 185 c HN 0.553 nan 8.230 nan 0.000 0.377 186 K N -0.046 120.352 120.400 -0.003 0.000 2.044 186 K HA -0.184 4.136 4.320 0.000 0.000 0.210 186 K C 2.045 178.643 176.600 -0.004 0.000 1.049 186 K CA 2.027 58.312 56.287 -0.002 0.000 0.927 186 K CB -0.384 32.115 32.500 -0.001 0.000 0.713 186 K HN 0.646 nan 8.250 nan 0.000 0.443 187 A N 0.427 123.245 122.820 -0.004 0.000 1.970 187 A HA -0.077 4.243 4.320 0.000 0.000 0.216 187 A C 2.014 179.593 177.584 -0.009 0.000 1.170 187 A CA 0.716 52.750 52.037 -0.004 0.000 0.645 187 A CB -0.215 18.784 19.000 -0.002 0.000 0.816 187 A HN 0.318 nan 8.150 nan 0.000 0.447 188 Q N 0.039 119.832 119.800 -0.010 0.000 2.046 188 Q HA -0.160 4.180 4.340 0.000 0.000 0.200 188 Q C 1.681 177.668 176.000 -0.022 0.000 0.975 188 Q CA 1.541 57.335 55.803 -0.016 0.000 0.836 188 Q CB -0.544 28.185 28.738 -0.014 0.000 0.896 188 Q HN 0.722 nan 8.270 nan 0.000 0.428 189 D N 0.308 120.698 120.400 -0.017 0.000 2.149 189 D HA -0.131 4.509 4.640 0.000 0.000 0.198 189 D C 1.620 177.909 176.300 -0.019 0.000 0.990 189 D CA 1.243 55.233 54.000 -0.017 0.000 0.839 189 D CB 0.314 41.109 40.800 -0.009 0.000 0.948 189 D HN 0.168 nan 8.370 nan 0.000 0.460 190 A N 0.838 123.649 122.820 -0.015 0.000 1.898 190 A HA -0.126 4.194 4.320 0.000 0.000 0.216 190 A C 2.222 179.791 177.584 -0.025 0.000 1.181 190 A CA 1.006 53.035 52.037 -0.014 0.000 0.620 190 A CB -0.390 18.605 19.000 -0.007 0.000 0.819 190 A HN 0.271 nan 8.150 nan 0.000 0.442 191 I N -0.041 120.510 120.570 -0.032 0.000 2.406 191 I HA -0.110 4.060 4.170 0.000 0.000 0.249 191 I C 2.278 178.340 176.117 -0.091 0.000 1.122 191 I CA 0.922 62.192 61.300 -0.050 0.000 1.431 191 I CB -1.292 36.686 38.000 -0.036 0.000 1.087 191 I HN 0.269 nan 8.210 nan 0.000 0.424 192 I N 1.031 121.551 120.570 -0.083 0.000 2.614 192 I HA -0.147 4.023 4.170 0.000 0.000 0.258 192 I C 2.522 178.572 176.117 -0.113 0.000 1.189 192 I CA 1.162 62.395 61.300 -0.112 0.000 1.462 192 I CB -0.622 37.326 38.000 -0.085 0.000 1.092 192 I HN 0.218 nan 8.210 nan 0.000 0.442 193 G N 0.614 109.372 108.800 -0.070 0.000 2.395 193 G HA2 -0.213 3.747 3.960 0.000 0.000 0.214 193 G HA3 -0.213 3.747 3.960 0.000 0.000 0.214 193 G C 1.804 176.682 174.900 -0.036 0.000 1.177 193 G CA 0.797 45.871 45.100 -0.042 0.000 0.794 193 G HN 0.475 nan 8.290 nan 0.000 0.532 194 S N 0.609 116.285 115.700 -0.040 0.000 2.382 194 S HA -0.034 4.436 4.470 0.000 0.000 0.228 194 S C 2.321 176.893 174.600 -0.047 0.000 1.027 194 S CA 1.015 59.200 58.200 -0.025 0.000 0.991 194 S CB -0.356 62.832 63.200 -0.020 0.000 0.823 194 S HN 0.327 nan 8.310 nan 0.000 0.469 195 I N 1.409 121.904 120.570 -0.124 0.000 2.113 195 I HA -0.155 4.015 4.170 0.000 0.000 0.238 195 I C 2.541 178.589 176.117 -0.115 0.000 1.070 195 I CA 1.405 62.587 61.300 -0.196 0.000 1.332 195 I CB -0.415 37.359 38.000 -0.376 0.000 1.044 195 I HN 0.280 nan 8.210 nan 0.000 0.402 196 L N 0.250 121.373 121.223 -0.166 0.000 2.046 196 L HA -0.235 4.105 4.340 0.000 0.000 0.208 196 L C 2.240 179.162 176.870 0.086 0.000 1.077 196 L CA 1.445 56.141 54.840 -0.240 0.000 0.747 196 L CB -0.801 40.943 42.059 -0.526 0.000 0.896 196 L HN 0.284 nan 8.230 nan 0.000 0.432 197 N N 0.055 118.811 118.700 0.094 0.000 2.149 197 N HA -0.166 4.574 4.740 0.000 0.000 0.188 197 N C 1.867 177.459 175.510 0.137 0.000 1.019 197 N CA 1.059 54.195 53.050 0.144 0.000 0.857 197 N CB -0.227 38.310 38.487 0.084 0.000 0.997 197 N HN 0.216 nan 8.380 nan 0.000 0.426 198 L N -0.904 120.387 121.223 0.113 0.000 2.093 198 L HA -0.180 4.160 4.340 0.000 0.000 0.208 198 L C 1.990 178.972 176.870 0.188 0.000 1.085 198 L CA 1.000 55.911 54.840 0.119 0.000 0.755 198 L CB -0.266 41.850 42.059 0.095 0.000 0.904 198 L HN 0.250 nan 8.230 nan 0.000 0.435 199 Y N 0.078 120.426 120.300 0.081 0.000 2.163 199 Y HA -0.278 4.272 4.550 0.000 0.000 0.288 199 Y C 2.251 178.259 175.900 0.180 0.000 1.136 199 Y CA 1.506 59.679 58.100 0.122 0.000 1.147 199 Y CB -0.406 38.124 38.460 0.117 0.000 0.987 199 Y HN 0.090 nan 8.280 nan 0.000 0.509 200 L N -0.035 121.321 121.223 0.221 0.000 1.990 200 L HA -0.243 4.097 4.340 0.000 0.000 0.213 200 L C 2.195 179.076 176.870 0.018 0.000 1.072 200 L CA 2.812 57.710 54.840 0.096 0.000 0.755 200 L CB -1.435 40.733 42.059 0.181 0.000 0.889 200 L HN 0.288 nan 8.230 nan 0.000 0.432 201 T N -0.306 114.280 114.554 0.053 0.000 2.635 201 T HA -0.236 4.114 4.350 0.000 0.000 0.267 201 T C 1.682 176.386 174.700 0.006 0.000 1.040 201 T CA 1.987 64.105 62.100 0.031 0.000 1.156 201 T CB -0.341 68.553 68.868 0.042 0.000 0.863 201 T HN 0.521 nan 8.240 nan 0.000 0.430 202 E N 0.415 120.620 120.200 0.007 0.000 2.110 202 E HA -0.089 4.261 4.350 0.000 0.000 0.193 202 E C 2.135 178.695 176.600 -0.067 0.000 0.988 202 E CA 0.675 57.068 56.400 -0.012 0.000 0.804 202 E CB -0.234 29.486 29.700 0.033 0.000 0.745 202 E HN 0.177 nan 8.360 nan 0.000 0.458 203 L N 0.641 121.792 121.223 -0.119 0.000 2.083 203 L HA -0.123 4.217 4.340 0.000 0.000 0.209 203 L C 2.329 179.217 176.870 0.030 0.000 1.083 203 L CA 1.720 56.504 54.840 -0.093 0.000 0.752 203 L CB -0.603 41.351 42.059 -0.175 0.000 0.899 203 L HN 0.058 nan 8.230 nan 0.000 0.433 204 T N -2.259 112.306 114.554 0.018 0.000 3.113 204 T HA -0.093 4.257 4.350 0.000 0.000 0.263 204 T C 1.580 176.292 174.700 0.019 0.000 1.143 204 T CA 1.235 63.364 62.100 0.050 0.000 1.090 204 T CB -0.089 68.795 68.868 0.026 0.000 0.922 204 T HN 0.318 nan 8.240 nan 0.000 0.521 205 T N 0.423 114.960 114.554 -0.029 0.000 3.044 205 T HA 0.349 4.699 4.350 0.000 0.000 0.250 205 T C 1.505 176.149 174.700 -0.094 0.000 1.081 205 T CA 0.126 62.196 62.100 -0.051 0.000 1.040 205 T CB 0.144 68.983 68.868 -0.049 0.000 0.962 205 T HN 0.355 nan 8.240 nan 0.000 0.506 206 I N -0.893 119.569 120.570 -0.181 0.000 3.300 206 I HA 0.231 4.401 4.170 0.000 0.000 0.279 206 I C -0.179 175.720 176.117 -0.365 0.000 1.172 206 I CA 0.388 61.469 61.300 -0.364 0.000 1.431 206 I CB 0.406 37.993 38.000 -0.688 0.000 1.240 206 I HN 0.091 nan 8.210 nan 0.000 0.453 207 F N 1.394 121.349 119.950 0.009 0.000 2.573 207 F HA 0.207 4.734 4.527 0.000 0.000 0.349 207 F C 0.203 176.036 175.800 0.056 0.000 1.213 207 F CA -0.532 57.476 58.000 0.013 0.000 1.300 207 F CB -0.451 38.538 39.000 -0.019 0.000 1.661 207 F HN 0.047 nan 8.300 nan 0.000 0.616 208 H N 1.537 120.665 119.070 0.096 0.000 2.504 208 H HA 0.265 4.821 4.556 0.000 0.000 0.322 208 H C -0.335 175.025 175.328 0.053 0.000 1.055 208 H CA -1.229 54.854 56.048 0.059 0.000 1.231 208 H CB 0.747 30.522 29.762 0.021 0.000 1.417 208 H HN 0.321 nan 8.280 nan 0.000 0.472 209 N N 3.908 122.347 118.700 -0.436 0.000 2.399 209 N HA 0.029 4.769 4.740 0.000 0.000 0.259 209 N C 0.383 175.596 175.510 -0.495 0.000 1.160 209 N CA 0.420 53.269 53.050 -0.335 0.000 0.946 209 N CB 0.582 38.950 38.487 -0.198 0.000 1.156 209 N HN 0.855 nan 8.380 nan 0.000 0.489 210 Q N 3.538 123.178 119.800 -0.267 0.000 2.360 210 Q HA 0.296 4.636 4.340 0.000 0.000 0.261 210 Q C -0.083 175.879 176.000 -0.063 0.000 0.802 210 Q CA -0.063 55.651 55.803 -0.149 0.000 0.983 210 Q CB 0.405 29.128 28.738 -0.026 0.000 1.211 210 Q HN 0.602 nan 8.270 nan 0.000 0.523 211 I N 0.818 121.357 120.570 -0.051 0.000 3.078 211 I HA 0.114 4.284 4.170 0.000 0.000 0.318 211 I C 1.414 177.512 176.117 -0.031 0.000 1.016 211 I CA 0.121 61.403 61.300 -0.029 0.000 1.130 211 I CB 1.473 39.463 38.000 -0.016 0.000 1.397 211 I HN 0.116 nan 8.210 nan 0.000 0.570 212 T N -2.190 112.350 114.554 -0.022 0.000 3.054 212 T HA 0.108 4.458 4.350 0.000 0.000 0.259 212 T C 0.761 175.450 174.700 -0.017 0.000 1.092 212 T CA 0.469 62.556 62.100 -0.021 0.000 1.121 212 T CB -0.096 68.762 68.868 -0.016 0.000 0.912 212 T HN 0.457 nan 8.240 nan 0.000 0.489 213 N N 1.981 120.673 118.700 -0.014 0.000 2.696 213 N HA 0.219 4.959 4.740 0.000 0.000 0.308 213 N C -2.075 173.434 175.510 -0.002 0.000 1.915 213 N CA -1.282 51.763 53.050 -0.009 0.000 0.906 213 N CB 1.691 40.173 38.487 -0.008 0.000 1.284 213 N HN 0.287 nan 8.380 nan 0.000 0.488 214 P HA -0.197 nan 4.420 nan 0.000 0.217 214 P C 1.185 178.504 177.300 0.031 0.000 1.151 214 P CA 1.158 64.268 63.100 0.016 0.000 0.849 214 P CB 0.381 32.089 31.700 0.014 0.000 0.787 215 A N -0.546 122.286 122.820 0.021 0.000 2.186 215 A HA -0.093 4.227 4.320 0.000 0.000 0.219 215 A C 2.245 179.845 177.584 0.026 0.000 1.159 215 A CA 1.080 53.133 52.037 0.026 0.000 0.680 215 A CB -1.361 17.645 19.000 0.011 0.000 0.787 215 A HN 0.233 nan 8.150 nan 0.000 0.467 216 L N -0.506 120.728 121.223 0.018 0.000 2.616 216 L HA 0.102 4.442 4.340 0.000 0.000 0.229 216 L C 0.345 177.225 176.870 0.016 0.000 1.110 216 L CA -0.298 54.550 54.840 0.013 0.000 0.884 216 L CB 0.140 42.201 42.059 0.003 0.000 1.115 216 L HN 0.117 nan 8.230 nan 0.000 0.481 217 S N 1.214 116.928 115.700 0.023 0.000 2.533 217 S HA 0.197 4.667 4.470 0.000 0.000 0.282 217 S C -2.106 172.508 174.600 0.024 0.000 1.304 217 S CA -0.855 57.357 58.200 0.020 0.000 1.063 217 S CB 0.386 63.601 63.200 0.025 0.000 0.881 217 S HN -0.020 nan 8.310 nan 0.000 0.493 218 P HA 0.198 nan 4.420 nan 0.000 0.271 218 P C -0.719 176.587 177.300 0.010 0.000 1.216 218 P CA -0.303 62.807 63.100 0.016 0.000 0.776 218 P CB 0.311 32.019 31.700 0.014 0.000 0.881 219 I N 2.592 123.171 120.570 0.015 0.000 2.315 219 I HA 0.187 4.357 4.170 0.000 0.000 0.291 219 I C 0.731 176.848 176.117 0.001 0.000 1.006 219 I CA -0.039 61.263 61.300 0.003 0.000 1.265 219 I CB 0.482 38.496 38.000 0.023 0.000 1.387 219 I HN 0.264 nan 8.210 nan 0.000 0.475 220 T N 5.988 120.534 114.554 -0.014 0.000 2.902 220 T HA 0.462 4.812 4.350 0.000 0.000 0.280 220 T C 1.973 176.669 174.700 -0.006 0.000 0.992 220 T CA -0.600 61.495 62.100 -0.008 0.000 1.015 220 T CB 1.718 70.576 68.868 -0.017 0.000 1.044 220 T HN 0.373 nan 8.240 nan 0.000 0.520 221 I N 0.213 120.783 120.570 -0.001 0.000 2.361 221 I HA -0.216 3.954 4.170 0.000 0.000 0.251 221 I C 2.428 178.546 176.117 0.000 0.000 1.133 221 I CA 1.231 62.533 61.300 0.004 0.000 1.413 221 I CB -0.616 37.384 38.000 0.001 0.000 1.073 221 I HN 0.558 nan 8.210 nan 0.000 0.424 222 Q N 1.410 121.205 119.800 -0.009 0.000 2.084 222 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 222 Q C 2.507 178.492 176.000 -0.025 0.000 0.978 222 Q CA 2.092 57.887 55.803 -0.014 0.000 0.844 222 Q CB -0.504 28.221 28.738 -0.020 0.000 0.898 222 Q HN 0.580 nan 8.270 nan 0.000 0.426 223 A N 0.013 122.806 122.820 -0.044 0.000 1.897 223 A HA -0.103 4.217 4.320 0.000 0.000 0.215 223 A C 1.949 179.510 177.584 -0.038 0.000 1.181 223 A CA 0.898 52.887 52.037 -0.081 0.000 0.620 223 A CB -0.603 18.319 19.000 -0.130 0.000 0.821 223 A HN 0.323 nan 8.150 nan 0.000 0.443 224 L N 0.061 121.281 121.223 -0.006 0.000 2.079 224 L HA -0.156 4.184 4.340 0.000 0.000 0.210 224 L C 2.505 179.404 176.870 0.048 0.000 1.081 224 L CA 1.798 56.657 54.840 0.031 0.000 0.752 224 L CB -0.674 41.406 42.059 0.034 0.000 0.896 224 L HN 0.364 nan 8.230 nan 0.000 0.433 225 R N -1.044 119.478 120.500 0.035 0.000 2.066 225 R HA -0.098 4.242 4.340 0.000 0.000 0.232 225 R C 2.284 178.627 176.300 0.071 0.000 1.131 225 R CA 1.603 57.731 56.100 0.047 0.000 0.955 225 R CB -0.377 29.941 30.300 0.031 0.000 0.851 225 R HN 0.329 nan 8.270 nan 0.000 0.432 226 I N 0.469 121.072 120.570 0.056 0.000 2.179 226 I HA -0.298 3.872 4.170 0.000 0.000 0.242 226 I C 2.183 178.408 176.117 0.181 0.000 1.088 226 I CA 0.925 62.276 61.300 0.086 0.000 1.357 226 I CB -0.228 37.776 38.000 0.007 0.000 1.051 226 I HN 0.126 nan 8.210 nan 0.000 0.409 227 L N 0.358 121.663 121.223 0.138 0.000 2.012 227 L HA -0.181 4.159 4.340 0.000 0.000 0.210 227 L C 2.137 179.173 176.870 0.277 0.000 1.073 227 L CA 1.978 56.953 54.840 0.225 0.000 0.748 227 L CB -0.513 41.637 42.059 0.152 0.000 0.891 227 L HN 0.181 nan 8.230 nan 0.000 0.431 228 L N -2.243 119.082 121.223 0.171 0.000 2.477 228 L HA 0.291 4.631 4.340 0.000 0.000 0.220 228 L C 1.556 178.479 176.870 0.088 0.000 1.106 228 L CA 0.396 55.311 54.840 0.124 0.000 0.851 228 L CB -0.933 41.181 42.059 0.092 0.000 0.994 228 L HN 0.444 nan 8.230 nan 0.000 0.462 229 G N 1.572 110.434 108.800 0.103 0.000 2.566 229 G HA2 -0.415 3.545 3.960 0.000 0.000 0.280 229 G HA3 -0.415 3.545 3.960 0.000 0.000 0.280 229 G C 0.883 175.808 174.900 0.041 0.000 1.225 229 G CA 0.650 45.791 45.100 0.069 0.000 0.966 229 G HN 0.404 nan 8.290 nan 0.000 0.560 230 S N -1.358 114.355 115.700 0.022 0.000 2.537 230 S HA 0.036 4.506 4.470 0.000 0.000 0.240 230 S C 1.943 176.553 174.600 0.016 0.000 0.981 230 S CA 2.206 60.414 58.200 0.014 0.000 0.948 230 S CB -0.126 63.074 63.200 0.000 0.000 0.759 230 S HN 0.968 nan 8.310 nan 0.000 0.531 231 T N 1.823 116.390 114.554 0.021 0.000 3.067 231 T HA 0.187 4.537 4.350 0.000 0.000 0.261 231 T C 1.442 176.164 174.700 0.037 0.000 1.110 231 T CA 0.507 62.623 62.100 0.025 0.000 1.113 231 T CB -0.437 68.446 68.868 0.026 0.000 0.917 231 T HN 0.330 nan 8.240 nan 0.000 0.499 232 L N 2.381 123.630 121.223 0.042 0.000 1.971 232 L HA -0.029 4.312 4.340 0.000 0.000 0.215 232 L C -0.972 175.927 176.870 0.047 0.000 1.072 232 L CA 2.300 57.169 54.840 0.049 0.000 0.758 232 L CB -1.449 40.638 42.059 0.046 0.000 0.889 232 L HN 0.114 nan 8.230 nan 0.000 0.433 233 P HA -0.138 nan 4.420 nan 0.000 0.216 233 P C 1.586 178.909 177.300 0.039 0.000 1.153 233 P CA 2.166 65.286 63.100 0.033 0.000 0.858 233 P CB -0.192 31.521 31.700 0.022 0.000 0.789 234 T N -0.912 113.662 114.554 0.034 0.000 2.708 234 T HA -0.105 4.245 4.350 0.000 0.000 0.266 234 T C 1.862 176.587 174.700 0.041 0.000 1.037 234 T CA 1.297 63.416 62.100 0.032 0.000 1.146 234 T CB -1.132 67.750 68.868 0.023 0.000 0.865 234 T HN -0.115 nan 8.240 nan 0.000 0.435 235 V N 1.287 121.229 119.914 0.048 0.000 2.287 235 V HA -0.166 3.954 4.120 0.000 0.000 0.248 235 V C 2.711 178.859 176.094 0.090 0.000 1.053 235 V CA 1.364 63.697 62.300 0.054 0.000 1.027 235 V CB -0.794 31.065 31.823 0.060 0.000 0.646 235 V HN 0.298 nan 8.190 nan 0.000 0.447 236 V N -0.351 119.636 119.914 0.121 0.000 2.282 236 V HA -0.276 3.844 4.120 0.000 0.000 0.249 236 V C 2.636 178.855 176.094 0.208 0.000 1.057 236 V CA 2.124 64.542 62.300 0.196 0.000 1.032 236 V CB -0.607 31.286 31.823 0.116 0.000 0.645 236 V HN 0.566 nan 8.190 nan 0.000 0.447 237 E N -0.070 120.200 120.200 0.116 0.000 2.051 237 E HA -0.250 4.100 4.350 0.000 0.000 0.192 237 E C 2.286 178.938 176.600 0.086 0.000 0.991 237 E CA 1.440 57.896 56.400 0.094 0.000 0.799 237 E CB -0.199 29.534 29.700 0.054 0.000 0.748 237 E HN 0.565 nan 8.360 nan 0.000 0.449 238 K N 0.289 120.722 120.400 0.054 0.000 2.365 238 K HA -0.001 4.319 4.320 0.000 0.000 0.199 238 K C 1.876 178.452 176.600 -0.040 0.000 1.045 238 K CA 0.801 57.096 56.287 0.014 0.000 0.962 238 K CB 0.211 32.715 32.500 0.006 0.000 0.759 238 K HN -0.099 nan 8.250 nan 0.000 0.469 239 S N -0.225 115.426 115.700 -0.081 0.000 2.439 239 S HA 0.148 4.618 4.470 0.000 0.000 0.224 239 S C -0.128 174.106 174.600 -0.610 0.000 1.029 239 S CA 0.251 58.215 58.200 -0.394 0.000 0.946 239 S CB 0.097 62.932 63.200 -0.608 0.000 0.797 239 S HN 0.113 nan 8.310 nan 0.000 0.504 240 F N 1.910 121.859 119.950 -0.001 0.000 2.577 240 F HA 0.439 4.966 4.527 0.000 0.000 0.318 240 F C 0.830 176.626 175.800 -0.005 0.000 1.065 240 F CA -1.340 56.656 58.000 -0.007 0.000 0.929 240 F CB 0.990 39.980 39.000 -0.017 0.000 1.237 240 F HN -0.096 nan 8.300 nan 0.000 0.468 241 N N -1.484 117.322 118.700 0.177 0.000 2.282 241 N HA 0.012 4.752 4.740 0.000 0.000 0.185 241 N C 0.150 175.707 175.510 0.078 0.000 1.099 241 N CA 0.088 53.196 53.050 0.096 0.000 0.878 241 N CB -0.696 37.826 38.487 0.058 0.000 0.993 241 N HN 0.476 nan 8.380 nan 0.000 0.481 242 T N 1.750 116.360 114.554 0.092 0.000 2.816 242 T HA -0.143 4.207 4.350 0.000 0.000 0.342 242 T C 1.265 175.971 174.700 0.011 0.000 1.066 242 T CA 0.603 62.723 62.100 0.033 0.000 1.130 242 T CB 0.479 69.341 68.868 -0.009 0.000 1.074 242 T HN 0.314 nan 8.240 nan 0.000 0.525 243 Q N 0.294 120.089 119.800 -0.007 0.000 2.167 243 Q HA 0.043 4.383 4.340 0.000 0.000 0.202 243 Q C 0.752 176.740 176.000 -0.020 0.000 0.970 243 Q CA 0.669 56.466 55.803 -0.011 0.000 0.855 243 Q CB -0.187 28.541 28.738 -0.016 0.000 0.911 243 Q HN 0.639 nan 8.270 nan 0.000 0.438 244 I N 2.732 123.279 120.570 -0.038 0.000 2.845 244 I HA -0.113 4.057 4.170 0.000 0.000 0.296 244 I C 0.714 176.809 176.117 -0.036 0.000 1.216 244 I CA -0.091 61.178 61.300 -0.051 0.000 1.438 244 I CB 0.322 38.268 38.000 -0.090 0.000 1.342 244 I HN 0.152 nan 8.210 nan 0.000 0.577 245 S N 4.830 120.511 115.700 -0.032 0.000 2.601 245 S HA 0.396 4.866 4.470 0.000 0.000 0.271 245 S C 1.036 175.623 174.600 -0.022 0.000 1.305 245 S CA -0.341 57.848 58.200 -0.019 0.000 1.022 245 S CB 1.761 64.951 63.200 -0.015 0.000 0.940 245 S HN 0.733 nan 8.310 nan 0.000 0.525 246 A N 1.950 124.766 122.820 -0.006 0.000 2.024 246 A HA 0.122 4.442 4.320 0.000 0.000 0.220 246 A C 2.303 179.881 177.584 -0.011 0.000 1.164 246 A CA 1.673 53.709 52.037 -0.001 0.000 0.643 246 A CB -1.526 17.484 19.000 0.017 0.000 0.806 246 A HN 1.312 nan 8.150 nan 0.000 0.451 247 A N -0.081 122.733 122.820 -0.011 0.000 1.898 247 A HA -0.152 4.168 4.320 0.000 0.000 0.216 247 A C 1.917 179.488 177.584 -0.021 0.000 1.181 247 A CA 1.578 53.608 52.037 -0.012 0.000 0.620 247 A CB -0.440 18.554 19.000 -0.010 0.000 0.819 247 A HN 0.644 nan 8.150 nan 0.000 0.442 248 E N -0.051 120.131 120.200 -0.030 0.000 2.047 248 E HA -0.111 4.239 4.350 0.000 0.000 0.191 248 E C 1.978 178.547 176.600 -0.052 0.000 0.987 248 E CA 1.047 57.423 56.400 -0.040 0.000 0.799 248 E CB -0.315 29.356 29.700 -0.048 0.000 0.752 248 E HN 0.598 nan 8.360 nan 0.000 0.449 249 L N 0.740 121.923 121.223 -0.066 0.000 2.012 249 L HA -0.237 4.103 4.340 0.000 0.000 0.210 249 L C 2.517 179.353 176.870 -0.056 0.000 1.073 249 L CA 1.153 55.939 54.840 -0.090 0.000 0.748 249 L CB -0.454 41.537 42.059 -0.113 0.000 0.891 249 L HN 0.176 nan 8.230 nan 0.000 0.431 250 L N -0.633 120.571 121.223 -0.030 0.000 2.093 250 L HA -0.142 4.198 4.340 0.000 0.000 0.208 250 L C 2.630 179.492 176.870 -0.013 0.000 1.085 250 L CA 1.472 56.304 54.840 -0.013 0.000 0.755 250 L CB -0.469 41.589 42.059 -0.002 0.000 0.904 250 L HN 0.369 nan 8.230 nan 0.000 0.435 251 S N -1.692 113.998 115.700 -0.016 0.000 2.575 251 S HA 0.056 4.526 4.470 0.000 0.000 0.215 251 S C 0.941 175.533 174.600 -0.014 0.000 0.966 251 S CA -0.037 58.155 58.200 -0.013 0.000 0.911 251 S CB -0.172 63.021 63.200 -0.012 0.000 0.780 251 S HN 0.422 nan 8.310 nan 0.000 0.514 252 S N -0.073 115.614 115.700 -0.022 0.000 2.748 252 S HA 0.759 5.229 4.470 0.000 0.000 0.299 252 S C 0.865 175.456 174.600 -0.015 0.000 1.119 252 S CA -0.241 57.948 58.200 -0.019 0.000 0.997 252 S CB 0.885 64.067 63.200 -0.030 0.000 1.223 252 S HN 0.318 nan 8.310 nan 0.000 0.541 253 G N -0.689 108.108 108.800 -0.004 0.000 3.453 253 G HA2 0.307 4.267 3.960 0.000 0.000 0.263 253 G HA3 0.307 4.267 3.960 0.000 0.000 0.263 253 G C 0.731 175.635 174.900 0.008 0.000 1.060 253 G CA -0.260 44.843 45.100 0.005 0.000 0.793 253 G HN 0.438 nan 8.290 nan 0.000 0.532 254 L N 0.901 122.113 121.223 -0.020 0.000 1.971 254 L HA 0.041 4.381 4.340 0.000 0.000 0.215 254 L C 1.735 178.569 176.870 -0.059 0.000 1.072 254 L CA 1.224 56.035 54.840 -0.049 0.000 0.758 254 L CB -0.613 41.372 42.059 -0.124 0.000 0.889 254 L HN 0.163 nan 8.230 nan 0.000 0.433 255 L N -0.097 121.076 121.223 -0.083 0.000 2.485 255 L HA 0.160 4.500 4.340 0.000 0.000 0.275 255 L C 0.139 177.003 176.870 -0.011 0.000 1.207 255 L CA 0.206 55.004 54.840 -0.070 0.000 0.855 255 L CB -0.046 41.974 42.059 -0.066 0.000 1.114 255 L HN 0.355 nan 8.230 nan 0.000 0.485 256 T N -0.241 114.318 114.554 0.007 0.000 2.853 256 T HA 0.771 5.121 4.350 0.000 0.000 0.311 256 T C -0.392 174.326 174.700 0.029 0.000 1.307 256 T CA -0.630 61.485 62.100 0.024 0.000 1.019 256 T CB 2.111 71.001 68.868 0.037 0.000 1.264 256 T HN 0.789 nan 8.240 nan 0.000 0.497 257 G N 0.285 109.100 108.800 0.026 0.000 2.695 257 G HA2 0.709 4.669 3.960 0.000 0.000 0.290 257 G HA3 0.709 4.669 3.960 0.000 0.000 0.290 257 G C -1.963 172.949 174.900 0.020 0.000 1.410 257 G CA -1.065 44.046 45.100 0.019 0.000 0.844 257 G HN 1.046 nan 8.290 nan 0.000 0.478 258 Q N -0.378 119.430 119.800 0.013 0.000 2.340 258 Q HA 0.626 4.966 4.340 0.000 0.000 0.276 258 Q C -1.168 174.855 176.000 0.038 0.000 1.048 258 Q CA -0.937 54.883 55.803 0.027 0.000 0.832 258 Q CB 2.076 30.825 28.738 0.018 0.000 1.373 258 Q HN 0.504 nan 8.270 nan 0.000 0.409 259 I N 2.618 123.224 120.570 0.061 0.000 2.648 259 I HA 0.065 4.235 4.170 0.000 0.000 0.284 259 I C 0.670 176.823 176.117 0.060 0.000 1.153 259 I CA -0.195 61.148 61.300 0.072 0.000 1.426 259 I CB 1.045 39.094 38.000 0.082 0.000 1.381 259 I HN 0.723 nan 8.210 nan 0.000 0.571 260 V N 2.043 122.003 119.914 0.078 0.000 3.415 260 V HA 0.652 4.772 4.120 0.000 0.000 0.315 260 V C 0.119 176.258 176.094 0.074 0.000 1.516 260 V CA 0.074 62.423 62.300 0.082 0.000 1.122 260 V CB 0.177 32.081 31.823 0.136 0.000 0.988 260 V HN 0.884 nan 8.190 nan 0.000 0.474 261 G N 0.516 109.352 108.800 0.061 0.000 2.691 261 G HA2 0.633 4.593 3.960 0.000 0.000 0.298 261 G HA3 0.633 4.593 3.960 0.000 0.000 0.298 261 G C -2.332 172.585 174.900 0.028 0.000 1.471 261 G CA -0.384 44.739 45.100 0.038 0.000 0.912 261 G HN 0.803 nan 8.290 nan 0.000 0.553 262 L N 1.149 122.378 121.223 0.010 0.000 2.592 262 L HA 0.751 5.091 4.340 0.000 0.000 0.258 262 L C -2.055 174.815 176.870 0.001 0.000 0.926 262 L CA -0.645 54.197 54.840 0.002 0.000 0.885 262 L CB 2.516 44.564 42.059 -0.017 0.000 1.380 262 L HN 0.573 nan 8.230 nan 0.000 0.415 263 D N 4.765 125.174 120.400 0.016 0.000 2.469 263 D HA 0.287 4.927 4.640 0.000 0.000 0.251 263 D C 0.593 176.929 176.300 0.060 0.000 1.173 263 D CA -0.299 53.723 54.000 0.038 0.000 0.882 263 D CB 1.381 42.205 40.800 0.041 0.000 1.129 263 D HN 0.703 nan 8.370 nan 0.000 0.549 264 L N 2.205 123.448 121.223 0.032 0.000 2.291 264 L HA -0.091 4.249 4.340 0.000 0.000 0.214 264 L C 2.111 179.003 176.870 0.037 0.000 1.120 264 L CA 0.854 55.701 54.840 0.012 0.000 0.799 264 L CB -0.112 41.936 42.059 -0.019 0.000 0.925 264 L HN 0.382 nan 8.230 nan 0.000 0.446 265 T N -1.264 113.344 114.554 0.089 0.000 2.701 265 T HA -0.187 4.163 4.350 0.000 0.000 0.263 265 T C 1.384 176.116 174.700 0.054 0.000 1.040 265 T CA 1.421 63.572 62.100 0.084 0.000 1.147 265 T CB -0.268 68.708 68.868 0.180 0.000 0.865 265 T HN 0.209 nan 8.240 nan 0.000 0.426 266 Y N 0.593 120.895 120.300 0.003 0.000 2.466 266 Y HA 0.410 4.960 4.550 0.000 0.000 0.272 266 Y C 0.970 176.883 175.900 0.023 0.000 1.169 266 Y CA -0.540 57.569 58.100 0.014 0.000 1.285 266 Y CB -0.778 37.690 38.460 0.013 0.000 1.078 266 Y HN 0.113 nan 8.280 nan 0.000 0.523 267 M N 0.698 120.378 119.600 0.134 0.000 2.206 267 M HA -0.344 4.136 4.480 0.000 0.000 0.197 267 M C -0.830 175.533 176.300 0.104 0.000 0.375 267 M CA 1.002 56.351 55.300 0.082 0.000 0.410 267 M CB -1.540 31.103 32.600 0.072 0.000 1.204 267 M HN 0.303 nan 8.290 nan 0.000 0.932 268 Q N 0.746 120.609 119.800 0.105 0.000 2.341 268 Q HA 0.668 5.009 4.340 0.000 0.000 0.268 268 Q C -0.488 175.549 176.000 0.062 0.000 1.013 268 Q CA -0.305 55.554 55.803 0.092 0.000 0.798 268 Q CB 2.215 31.008 28.738 0.091 0.000 1.253 268 Q HN 0.477 nan 8.270 nan 0.000 0.457 269 M N 3.585 123.227 119.600 0.070 0.000 2.088 269 M HA 0.348 4.828 4.480 0.000 0.000 0.346 269 M C -1.312 175.040 176.300 0.087 0.000 1.111 269 M CA -0.714 54.624 55.300 0.064 0.000 1.017 269 M CB 0.814 33.454 32.600 0.066 0.000 1.568 269 M HN 0.299 nan 8.290 nan 0.000 0.445 270 V N 7.167 127.131 119.914 0.083 0.000 2.461 270 V HA 0.376 4.496 4.120 0.000 0.000 0.275 270 V C 0.099 176.273 176.094 0.132 0.000 1.047 270 V CA -0.146 62.224 62.300 0.118 0.000 0.955 270 V CB 0.779 32.675 31.823 0.122 0.000 0.988 270 V HN 0.770 nan 8.190 nan 0.000 0.471 271 I N 4.615 125.265 120.570 0.133 0.000 2.545 271 I HA 0.474 4.644 4.170 0.000 0.000 0.292 271 I C -0.172 175.945 176.117 -0.000 0.000 1.040 271 I CA -0.796 60.553 61.300 0.082 0.000 1.068 271 I CB 2.206 40.254 38.000 0.079 0.000 1.251 271 I HN 0.512 nan 8.210 nan 0.000 0.424 272 K N 6.694 127.030 120.400 -0.107 0.000 2.263 272 K HA 0.484 4.804 4.320 0.000 0.000 0.272 272 K C -1.042 175.445 176.600 -0.189 0.000 1.033 272 K CA -0.583 55.479 56.287 -0.376 0.000 0.884 272 K CB 0.871 33.088 32.500 -0.471 0.000 1.107 272 K HN 0.406 nan 8.250 nan 0.000 0.460 273 I N 3.201 123.683 120.570 -0.148 0.000 2.428 273 I HA 0.307 4.477 4.170 0.000 0.000 0.296 273 I C -0.035 176.148 176.117 0.111 0.000 0.985 273 I CA -0.391 60.931 61.300 0.037 0.000 1.260 273 I CB 1.418 39.520 38.000 0.171 0.000 1.389 273 I HN 0.738 nan 8.210 nan 0.000 0.484 274 E N 4.194 124.464 120.200 0.118 0.000 2.234 274 E HA 0.470 4.820 4.350 0.000 0.000 0.266 274 E C -1.627 174.980 176.600 0.011 0.000 0.877 274 E CA -0.798 55.668 56.400 0.110 0.000 0.758 274 E CB 2.628 32.353 29.700 0.042 0.000 1.170 274 E HN 0.363 nan 8.360 nan 0.000 0.415 275 L N 5.813 127.007 121.223 -0.049 0.000 2.319 275 L HA 0.565 4.905 4.340 0.000 0.000 0.281 275 L C -2.734 174.025 176.870 -0.186 0.000 1.005 275 L CA -1.986 52.677 54.840 -0.295 0.000 0.828 275 L CB 1.125 42.734 42.059 -0.750 0.000 1.227 275 L HN 0.353 nan 8.230 nan 0.000 0.415 276 P HA 0.219 nan 4.420 nan 0.000 0.271 276 P C -1.013 176.121 177.300 -0.276 0.000 1.244 276 P CA -0.068 62.848 63.100 -0.307 0.000 0.793 276 P CB 0.452 31.730 31.700 -0.704 0.000 0.984 277 T N 1.215 115.624 114.554 -0.242 0.000 3.141 277 T HA 0.346 4.696 4.350 0.000 0.000 0.377 277 T C -0.064 174.536 174.700 -0.166 0.000 1.258 277 T CA -0.456 61.547 62.100 -0.162 0.000 1.263 277 T CB -0.465 68.356 68.868 -0.079 0.000 1.066 277 T HN 0.140 nan 8.240 nan 0.000 0.546 278 L N 2.145 123.237 121.223 -0.219 0.000 2.461 278 L HA 0.449 4.789 4.340 0.000 0.000 0.272 278 L C 0.613 177.449 176.870 -0.057 0.000 1.197 278 L CA -0.036 54.713 54.840 -0.151 0.000 0.836 278 L CB 0.129 42.085 42.059 -0.173 0.000 1.105 278 L HN 0.403 nan 8.230 nan 0.000 0.477 279 T N 1.084 115.633 114.554 -0.008 0.000 2.912 279 T HA 0.316 4.666 4.350 0.000 0.000 0.299 279 T C -0.400 174.305 174.700 0.007 0.000 1.052 279 T CA -0.476 61.622 62.100 -0.003 0.000 0.996 279 T CB 2.256 71.125 68.868 0.002 0.000 1.070 279 T HN 0.211 nan 8.240 nan 0.000 0.465 280 V N 3.780 123.692 119.914 -0.004 0.000 2.415 280 V HA 0.178 4.298 4.120 0.000 0.000 0.267 280 V C 0.743 176.831 176.094 -0.011 0.000 1.042 280 V CA -0.241 62.054 62.300 -0.007 0.000 1.000 280 V CB 0.770 32.585 31.823 -0.013 0.000 1.015 280 V HN 0.819 nan 8.190 nan 0.000 0.478 281 Q N 9.014 128.805 119.800 -0.015 0.000 2.300 281 Q HA 0.174 4.514 4.340 0.000 0.000 0.262 281 Q C -2.040 173.943 176.000 -0.029 0.000 1.109 281 Q CA -1.456 54.334 55.803 -0.022 0.000 0.905 281 Q CB 0.913 29.632 28.738 -0.031 0.000 1.280 281 Q HN 0.533 nan 8.270 nan 0.000 0.426 282 P HA -0.052 nan 4.420 nan 0.000 0.270 282 P C -0.274 177.009 177.300 -0.028 0.000 1.227 282 P CA 0.899 63.985 63.100 -0.023 0.000 0.788 282 P CB 0.586 32.276 31.700 -0.016 0.000 0.926 283 A N -0.678 122.126 122.820 -0.027 0.000 2.816 283 A HA -0.145 4.175 4.320 0.000 0.000 0.270 283 A C 0.373 177.934 177.584 -0.040 0.000 1.413 283 A CA 1.622 53.642 52.037 -0.028 0.000 0.866 283 A CB -2.712 16.274 19.000 -0.022 0.000 1.032 283 A HN 0.627 nan 8.150 nan 0.000 0.642 284 T N -0.146 114.378 114.554 -0.052 0.000 2.886 284 T HA 0.655 5.005 4.350 0.000 0.000 0.292 284 T C -0.488 174.162 174.700 -0.084 0.000 1.012 284 T CA -0.428 61.625 62.100 -0.077 0.000 0.982 284 T CB 1.804 70.610 68.868 -0.103 0.000 1.018 284 T HN 0.502 nan 8.240 nan 0.000 0.451 285 Q N 1.464 121.208 119.800 -0.094 0.000 2.423 285 Q HA 0.645 4.985 4.340 0.000 0.000 0.278 285 Q C -1.133 174.798 176.000 -0.115 0.000 1.097 285 Q CA -0.901 54.852 55.803 -0.085 0.000 0.809 285 Q CB 2.886 31.593 28.738 -0.052 0.000 1.391 285 Q HN 0.558 nan 8.270 nan 0.000 0.428 286 I N 2.708 123.218 120.570 -0.100 0.000 2.420 286 I HA 0.392 4.562 4.170 0.000 0.000 0.282 286 I C -0.796 175.301 176.117 -0.034 0.000 1.019 286 I CA -0.488 60.755 61.300 -0.096 0.000 1.130 286 I CB 1.032 38.964 38.000 -0.114 0.000 1.262 286 I HN 0.411 nan 8.210 nan 0.000 0.454 287 I N 5.244 125.802 120.570 -0.020 0.000 2.359 287 I HA 0.246 4.416 4.170 0.000 0.000 0.294 287 I C -0.547 175.575 176.117 0.008 0.000 0.987 287 I CA -0.515 60.782 61.300 -0.004 0.000 1.225 287 I CB 1.294 39.290 38.000 -0.007 0.000 1.366 287 I HN 0.430 nan 8.210 nan 0.000 0.466 288 D N 7.101 127.507 120.400 0.010 0.000 2.225 288 D HA 0.514 5.154 4.640 0.000 0.000 0.248 288 D C -0.626 175.676 176.300 0.005 0.000 1.096 288 D CA -0.023 53.983 54.000 0.010 0.000 0.863 288 D CB 1.341 42.146 40.800 0.009 0.000 1.156 288 D HN 0.252 nan 8.370 nan 0.000 0.450 289 L N 1.860 123.081 121.223 -0.002 0.000 2.325 289 L HA 0.721 5.061 4.340 0.000 0.000 0.281 289 L C -0.129 176.730 176.870 -0.017 0.000 1.004 289 L CA -0.910 53.922 54.840 -0.013 0.000 0.823 289 L CB 1.582 43.629 42.059 -0.020 0.000 1.236 289 L HN 0.376 nan 8.230 nan 0.000 0.415 290 A N 1.973 124.781 122.820 -0.020 0.000 2.330 290 A HA 0.914 5.234 4.320 0.000 0.000 0.329 290 A C -0.191 177.377 177.584 -0.026 0.000 1.135 290 A CA -0.483 51.540 52.037 -0.023 0.000 0.817 290 A CB 1.684 20.669 19.000 -0.025 0.000 1.269 290 A HN 0.644 nan 8.150 nan 0.000 0.469 291 T N -0.535 114.007 114.554 -0.019 0.000 2.881 291 T HA 0.639 4.989 4.350 0.000 0.000 0.290 291 T C -0.171 174.532 174.700 0.005 0.000 1.000 291 T CA -0.440 61.657 62.100 -0.005 0.000 0.978 291 T CB 0.534 69.404 68.868 0.004 0.000 0.997 291 T HN 1.019 nan 8.240 nan 0.000 0.443 292 I N 0.545 121.128 120.570 0.022 0.000 2.918 292 I HA 0.730 4.900 4.170 0.000 0.000 0.316 292 I C 0.569 176.729 176.117 0.071 0.000 1.001 292 I CA -1.061 60.258 61.300 0.032 0.000 1.142 292 I CB 1.492 39.522 38.000 0.050 0.000 1.356 292 I HN 0.814 nan 8.210 nan 0.000 0.524 293 S N 2.353 118.102 115.700 0.082 0.000 2.614 293 S HA 0.766 5.236 4.470 0.000 0.000 0.265 293 S C -0.139 174.540 174.600 0.131 0.000 1.303 293 S CA -0.211 58.055 58.200 0.110 0.000 1.000 293 S CB 1.273 64.540 63.200 0.111 0.000 0.935 293 S HN 1.155 nan 8.310 nan 0.000 0.551 294 A N 0.576 123.481 122.820 0.142 0.000 2.566 294 A HA 0.751 5.071 4.320 0.000 0.000 0.292 294 A C -1.545 176.137 177.584 0.162 0.000 1.112 294 A CA -0.729 51.392 52.037 0.138 0.000 0.707 294 A CB 1.039 20.099 19.000 0.099 0.000 1.302 294 A HN 0.812 nan 8.150 nan 0.000 0.409 295 F N 1.260 121.195 119.950 -0.025 0.000 2.375 295 F HA 0.704 5.231 4.527 0.000 0.000 0.361 295 F C -0.621 175.125 175.800 -0.089 0.000 1.117 295 F CA -0.881 57.094 58.000 -0.041 0.000 1.037 295 F CB 0.748 39.735 39.000 -0.021 0.000 1.192 295 F HN 0.345 nan 8.300 nan 0.000 0.452 296 I N 4.890 125.167 120.570 -0.487 0.000 2.533 296 I HA 0.224 4.394 4.170 0.000 0.000 0.290 296 I C -0.432 175.411 176.117 -0.456 0.000 1.056 296 I CA -1.179 59.869 61.300 -0.421 0.000 1.057 296 I CB 1.830 39.532 38.000 -0.497 0.000 1.240 296 I HN 0.476 nan 8.210 nan 0.000 0.423 297 N N 3.943 122.449 118.700 -0.322 0.000 2.688 297 N HA -0.267 4.473 4.740 0.000 0.000 0.258 297 N C 0.103 175.425 175.510 -0.313 0.000 1.016 297 N CA 0.807 53.710 53.050 -0.244 0.000 0.747 297 N CB -1.109 37.268 38.487 -0.184 0.000 0.895 297 N HN 0.784 nan 8.380 nan 0.000 0.543 298 N N -1.374 117.060 118.700 -0.442 0.000 2.725 298 N HA -0.256 4.484 4.740 0.000 0.000 0.249 298 N C -1.179 173.972 175.510 -0.598 0.000 1.103 298 N CA 1.795 54.576 53.050 -0.449 0.000 0.707 298 N CB -0.468 37.962 38.487 -0.094 0.000 1.043 298 N HN 0.832 nan 8.380 nan 0.000 0.553 299 Q N -1.814 117.371 119.800 -1.025 0.000 2.391 299 Q HA 0.324 4.664 4.340 0.000 0.000 0.279 299 Q C -1.181 174.538 176.000 -0.468 0.000 1.028 299 Q CA -0.967 54.522 55.803 -0.523 0.000 0.836 299 Q CB 1.274 29.878 28.738 -0.224 0.000 1.414 299 Q HN 0.253 nan 8.270 nan 0.000 0.397 300 E N 1.871 122.076 120.200 0.010 0.000 2.129 300 E HA 0.335 4.685 4.350 0.000 0.000 0.283 300 E C -0.551 176.085 176.600 0.060 0.000 1.080 300 E CA -0.463 56.034 56.400 0.161 0.000 0.867 300 E CB 0.900 30.742 29.700 0.237 0.000 1.056 300 E HN 0.471 nan 8.360 nan 0.000 0.404 301 V N 1.442 121.381 119.914 0.042 0.000 3.074 301 V HA 0.695 4.815 4.120 0.000 0.000 0.314 301 V C -0.554 175.630 176.094 0.150 0.000 1.117 301 V CA -1.159 61.189 62.300 0.080 0.000 1.014 301 V CB 1.949 33.809 31.823 0.061 0.000 1.057 301 V HN 0.728 nan 8.190 nan 0.000 0.438 302 M N 2.215 121.924 119.600 0.182 0.000 2.393 302 M HA 0.810 5.290 4.480 0.000 0.000 0.299 302 M C -0.068 176.330 176.300 0.163 0.000 1.103 302 M CA -0.530 54.871 55.300 0.168 0.000 0.910 302 M CB 1.980 34.633 32.600 0.088 0.000 1.659 302 M HN 1.227 nan 8.290 nan 0.000 0.445 303 A N 3.377 126.266 122.820 0.114 0.000 2.462 303 A HA 0.329 4.649 4.320 0.000 0.000 0.243 303 A C -0.628 176.852 177.584 -0.174 0.000 1.076 303 A CA -0.084 51.825 52.037 -0.213 0.000 0.773 303 A CB 0.293 19.166 19.000 -0.210 0.000 1.010 303 A HN 0.696 nan 8.150 nan 0.000 0.493 304 Q N 1.710 121.360 119.800 -0.250 0.000 2.368 304 Q HA 0.655 4.995 4.340 0.000 0.000 0.256 304 Q C -0.900 175.014 176.000 -0.144 0.000 0.980 304 Q CA 0.205 55.919 55.803 -0.148 0.000 0.887 304 Q CB 1.198 29.863 28.738 -0.123 0.000 1.221 304 Q HN 0.664 nan 8.270 nan 0.000 0.458 305 L N 2.096 123.260 121.223 -0.098 0.000 2.600 305 L HA 0.568 4.908 4.340 0.000 0.000 0.257 305 L C -2.282 174.558 176.870 -0.050 0.000 1.048 305 L CA -2.185 52.608 54.840 -0.079 0.000 0.869 305 L CB 2.026 44.036 42.059 -0.083 0.000 1.482 305 L HN 0.356 nan 8.230 nan 0.000 0.408 306 P HA 0.156 nan 4.420 nan 0.000 0.272 306 P C 0.281 177.571 177.300 -0.017 0.000 1.223 306 P CA -0.343 62.744 63.100 -0.021 0.000 0.784 306 P CB 0.609 32.303 31.700 -0.009 0.000 0.923 307 T N -1.830 112.718 114.554 -0.010 0.000 3.065 307 T HA 0.114 4.464 4.350 0.000 0.000 0.252 307 T C 0.632 175.336 174.700 0.006 0.000 1.099 307 T CA 0.082 62.178 62.100 -0.007 0.000 1.063 307 T CB 0.178 69.041 68.868 -0.008 0.000 0.948 307 T HN 0.368 nan 8.240 nan 0.000 0.506 308 R N 1.122 121.634 120.500 0.020 0.000 2.512 308 R HA 0.537 4.877 4.340 0.000 0.000 0.291 308 R C -1.590 174.752 176.300 0.070 0.000 1.097 308 R CA -0.641 55.487 56.100 0.045 0.000 0.940 308 R CB 1.978 32.316 30.300 0.064 0.000 1.198 308 R HN 0.219 nan 8.270 nan 0.000 0.429 309 V N 1.597 121.544 119.914 0.055 0.000 2.815 309 V HA 0.651 4.771 4.120 0.000 0.000 0.314 309 V C -0.253 175.860 176.094 0.032 0.000 1.064 309 V CA -1.116 61.218 62.300 0.057 0.000 0.952 309 V CB 1.951 33.786 31.823 0.020 0.000 1.020 309 V HN 0.850 nan 8.190 nan 0.000 0.439 310 M N 3.473 123.087 119.600 0.022 0.000 2.300 310 M HA 0.745 5.225 4.480 0.000 0.000 0.348 310 M C -1.751 174.510 176.300 -0.065 0.000 1.151 310 M CA -0.507 54.731 55.300 -0.104 0.000 1.046 310 M CB 1.757 34.219 32.600 -0.230 0.000 1.647 310 M HN 0.676 nan 8.290 nan 0.000 0.451 311 V N 3.646 123.513 119.914 -0.080 0.000 2.588 311 V HA 0.623 4.743 4.120 0.000 0.000 0.304 311 V C -0.683 175.377 176.094 -0.055 0.000 1.042 311 V CA -0.467 61.803 62.300 -0.051 0.000 0.877 311 V CB 2.190 33.991 31.823 -0.037 0.000 0.996 311 V HN 0.952 nan 8.190 nan 0.000 0.425 312 T N 1.241 115.771 114.554 -0.040 0.000 3.187 312 T HA 0.672 5.022 4.350 0.000 0.000 0.328 312 T C 0.404 175.091 174.700 -0.022 0.000 0.951 312 T CA 0.070 62.150 62.100 -0.035 0.000 1.049 312 T CB 1.040 69.886 68.868 -0.036 0.000 1.015 312 T HN 1.575 nan 8.240 nan 0.000 0.461 313 G N 3.440 112.228 108.800 -0.019 0.000 2.543 313 G HA2 -0.337 3.623 3.960 0.000 0.000 0.286 313 G HA3 -0.337 3.623 3.960 0.000 0.000 0.286 313 G C 1.058 175.951 174.900 -0.011 0.000 1.153 313 G CA 0.752 45.844 45.100 -0.013 0.000 0.968 313 G HN 1.869 nan 8.290 nan 0.000 0.544 314 S N 0.290 115.984 115.700 -0.009 0.000 2.557 314 S HA 0.562 5.032 4.470 0.000 0.000 0.223 314 S C 0.773 175.369 174.600 -0.007 0.000 0.969 314 S CA 0.327 58.523 58.200 -0.007 0.000 0.927 314 S CB -0.061 63.136 63.200 -0.005 0.000 0.806 314 S HN 0.752 nan 8.310 nan 0.000 0.489 315 L N 2.673 123.891 121.223 -0.008 0.000 2.264 315 L HA 0.543 4.883 4.340 0.000 0.000 0.289 315 L C -0.755 176.110 176.870 -0.007 0.000 1.044 315 L CA -0.740 54.097 54.840 -0.006 0.000 0.807 315 L CB 0.775 42.831 42.059 -0.004 0.000 1.192 315 L HN 0.154 nan 8.230 nan 0.000 0.425 316 I N 3.129 123.697 120.570 -0.003 0.000 2.436 316 I HA 0.450 4.620 4.170 0.000 0.000 0.289 316 I C -0.233 175.892 176.117 0.012 0.000 1.010 316 I CA -0.556 60.744 61.300 -0.000 0.000 1.098 316 I CB 1.637 39.634 38.000 -0.004 0.000 1.266 316 I HN 0.715 nan 8.210 nan 0.000 0.434 317 Q N 3.282 123.099 119.800 0.029 0.000 2.394 317 Q HA 0.773 5.113 4.340 0.000 0.000 0.273 317 Q C -0.509 175.539 176.000 0.080 0.000 1.089 317 Q CA -1.045 54.791 55.803 0.054 0.000 0.812 317 Q CB 3.033 31.821 28.738 0.084 0.000 1.353 317 Q HN 0.746 nan 8.270 nan 0.000 0.438 318 A N 1.649 124.508 122.820 0.064 0.000 2.451 318 A HA 0.171 4.491 4.320 0.000 0.000 0.266 318 A C -1.293 176.361 177.584 0.117 0.000 1.119 318 A CA 0.315 52.390 52.037 0.063 0.000 0.786 318 A CB -0.264 18.748 19.000 0.020 0.000 1.061 318 A HN 0.693 nan 8.150 nan 0.000 0.503 319 Y N 5.596 125.887 120.300 -0.016 0.000 2.837 319 Y HA 0.354 4.904 4.550 0.000 0.000 0.356 319 Y C -2.283 173.608 175.900 -0.014 0.000 1.035 319 Y CA -2.513 55.579 58.100 -0.014 0.000 1.165 319 Y CB 1.620 40.072 38.460 -0.013 0.000 1.147 319 Y HN 0.539 nan 8.280 nan 0.000 0.628 320 P HA 0.171 nan 4.420 nan 0.000 0.273 320 P C -0.394 176.802 177.300 -0.173 0.000 1.428 320 P CA 0.121 63.165 63.100 -0.094 0.000 0.995 320 P CB 0.938 32.587 31.700 -0.085 0.000 1.286 321 A N 3.352 126.129 122.820 -0.073 0.000 3.118 321 A HA 0.226 4.546 4.320 0.000 0.000 0.256 321 A C 1.461 179.026 177.584 -0.033 0.000 1.667 321 A CA -0.153 51.847 52.037 -0.062 0.000 1.338 321 A CB -0.739 18.323 19.000 0.103 0.000 1.127 321 A HN 0.501 nan 8.150 nan 0.000 0.634 322 S N -0.426 115.238 115.700 -0.059 0.000 2.528 322 S HA -0.033 4.437 4.470 0.000 0.000 0.219 322 S C 1.140 175.720 174.600 -0.032 0.000 0.985 322 S CA 0.313 58.491 58.200 -0.036 0.000 0.914 322 S CB 0.056 63.231 63.200 -0.041 0.000 0.776 322 S HN 0.580 nan 8.310 nan 0.000 0.526 323 Q N 0.270 120.043 119.800 -0.045 0.000 2.282 323 Q HA 0.326 4.666 4.340 0.000 0.000 0.206 323 Q C 0.408 176.400 176.000 -0.013 0.000 0.878 323 Q CA 0.040 55.824 55.803 -0.033 0.000 0.944 323 Q CB 0.235 28.944 28.738 -0.049 0.000 1.100 323 Q HN 0.618 nan 8.270 nan 0.000 0.509 324 c N -0.135 118.464 118.600 -0.002 0.000 2.547 324 c HA 0.643 5.213 4.570 0.000 0.000 0.411 324 c C 0.691 174.811 174.090 0.049 0.000 1.424 324 c CA -0.726 55.623 56.329 0.033 0.000 1.848 324 c CB 1.167 43.708 42.510 0.052 0.000 2.062 324 c HN 0.087 nan 8.230 nan 0.000 0.504 325 T N 1.637 116.238 114.554 0.078 0.000 2.749 325 T HA 0.546 4.896 4.350 0.000 0.000 0.287 325 T C -0.417 174.315 174.700 0.054 0.000 0.970 325 T CA 0.228 62.364 62.100 0.060 0.000 0.980 325 T CB 0.026 68.933 68.868 0.065 0.000 0.924 325 T HN 0.348 nan 8.240 nan 0.000 0.456 326 I N 2.459 123.050 120.570 0.035 0.000 2.412 326 I HA 0.445 4.615 4.170 0.000 0.000 0.296 326 I C 0.605 176.731 176.117 0.014 0.000 0.987 326 I CA -0.525 60.792 61.300 0.029 0.000 1.180 326 I CB 1.981 39.997 38.000 0.027 0.000 1.340 326 I HN 0.468 nan 8.210 nan 0.000 0.455 327 T N 5.492 120.053 114.554 0.011 0.000 2.926 327 T HA 0.343 4.693 4.350 0.000 0.000 0.289 327 T C -2.058 172.640 174.700 -0.004 0.000 1.054 327 T CA -1.367 60.732 62.100 -0.001 0.000 1.015 327 T CB 2.200 71.066 68.868 -0.004 0.000 1.167 327 T HN 0.281 nan 8.240 nan 0.000 0.526 328 P HA 0.051 nan 4.420 nan 0.000 0.222 328 P C 0.731 178.022 177.300 -0.015 0.000 1.147 328 P CA 0.870 63.961 63.100 -0.014 0.000 0.790 328 P CB 0.262 31.950 31.700 -0.019 0.000 0.780 329 N N -2.360 116.332 118.700 -0.013 0.000 2.166 329 N HA 0.094 4.834 4.740 0.000 0.000 0.213 329 N C -0.111 175.392 175.510 -0.011 0.000 1.222 329 N CA 0.517 53.559 53.050 -0.015 0.000 0.900 329 N CB 0.941 39.418 38.487 -0.017 0.000 1.055 329 N HN 0.103 nan 8.380 nan 0.000 0.515 330 T N 0.230 114.782 114.554 -0.005 0.000 2.900 330 T HA 0.479 4.829 4.350 0.000 0.000 0.303 330 T C -0.609 174.103 174.700 0.020 0.000 1.142 330 T CA -0.511 61.591 62.100 0.002 0.000 1.007 330 T CB 2.972 71.841 68.868 0.002 0.000 1.156 330 T HN -0.320 nan 8.240 nan 0.000 0.490 331 V N 1.455 121.387 119.914 0.030 0.000 2.540 331 V HA 0.815 4.936 4.120 0.000 0.000 0.302 331 V C -0.535 175.617 176.094 0.096 0.000 1.035 331 V CA -0.708 61.632 62.300 0.067 0.000 0.873 331 V CB 1.172 33.043 31.823 0.081 0.000 0.992 331 V HN 1.093 nan 8.190 nan 0.000 0.428 332 Y N 1.359 121.744 120.300 0.141 0.000 2.373 332 Y HA 0.710 5.260 4.550 0.000 0.000 0.336 332 Y C -0.306 175.714 175.900 0.200 0.000 0.979 332 Y CA -1.253 56.996 58.100 0.247 0.000 1.080 332 Y CB 1.438 40.085 38.460 0.311 0.000 1.190 332 Y HN 0.845 nan 8.280 nan 0.000 0.446 333 c N 1.452 120.034 118.600 -0.030 0.000 2.889 333 c HA 0.861 5.431 4.570 0.000 0.000 0.307 333 c C 1.736 175.253 174.090 -0.955 0.000 1.251 333 c CA -0.096 56.050 56.329 -0.306 0.000 1.593 333 c CB 1.211 43.666 42.510 -0.091 0.000 2.104 333 c HN 1.414 nan 8.230 nan 0.000 0.476 334 R N 0.102 120.154 120.500 -0.747 0.000 2.064 334 R HA 0.101 4.441 4.340 0.000 0.000 0.228 334 R C 0.082 176.006 176.300 -0.626 0.000 1.144 334 R CA 1.546 57.208 56.100 -0.729 0.000 0.932 334 R CB -0.824 29.399 30.300 -0.128 0.000 0.833 334 R HN 0.807 nan 8.270 nan 0.000 0.429 335 Y N -0.007 120.156 120.300 -0.228 0.000 2.512 335 Y HA 0.328 4.878 4.550 0.000 0.000 0.348 335 Y C -0.204 175.637 175.900 -0.098 0.000 0.990 335 Y CA -1.923 56.101 58.100 -0.127 0.000 1.033 335 Y CB 1.427 39.834 38.460 -0.089 0.000 1.259 335 Y HN 0.509 nan 8.280 nan 0.000 0.461 336 N N 0.662 119.423 118.700 0.102 0.000 2.458 336 N HA -0.069 4.671 4.740 0.000 0.000 0.258 336 N C -0.295 175.190 175.510 -0.042 0.000 1.219 336 N CA 0.158 53.262 53.050 0.091 0.000 0.902 336 N CB 1.154 39.778 38.487 0.227 0.000 1.076 336 N HN 0.842 nan 8.380 nan 0.000 0.455 337 D N 0.947 121.179 120.400 -0.280 0.000 2.525 337 D HA 0.251 4.891 4.640 0.000 0.000 0.229 337 D C 0.140 176.261 176.300 -0.299 0.000 1.202 337 D CA -0.576 53.258 54.000 -0.278 0.000 0.828 337 D CB -0.052 40.563 40.800 -0.309 0.000 1.008 337 D HN 0.750 nan 8.370 nan 0.000 0.493 338 A N 0.253 122.960 122.820 -0.188 0.000 2.492 338 A HA 0.338 4.658 4.320 0.000 0.000 0.236 338 A C 0.145 177.715 177.584 -0.022 0.000 1.078 338 A CA 0.276 52.301 52.037 -0.021 0.000 0.773 338 A CB 0.352 19.454 19.000 0.169 0.000 1.023 338 A HN 0.438 nan 8.150 nan 0.000 0.504 339 Q N -0.489 119.314 119.800 0.005 0.000 2.359 339 Q HA 0.485 4.825 4.340 0.000 0.000 0.274 339 Q C -0.766 175.241 176.000 0.012 0.000 1.074 339 Q CA -0.894 54.906 55.803 -0.004 0.000 0.810 339 Q CB 2.313 31.039 28.738 -0.020 0.000 1.342 339 Q HN 0.897 nan 8.270 nan 0.000 0.427 340 V N 1.345 121.263 119.914 0.005 0.000 2.583 340 V HA 0.482 4.602 4.120 0.000 0.000 0.287 340 V C -0.543 175.552 176.094 0.001 0.000 1.051 340 V CA -0.351 61.953 62.300 0.007 0.000 1.010 340 V CB 0.307 32.133 31.823 0.004 0.000 0.988 340 V HN 0.629 nan 8.190 nan 0.000 0.478 341 L N 5.151 126.374 121.223 0.001 0.000 2.375 341 L HA 0.593 4.933 4.340 0.000 0.000 0.268 341 L C 0.907 177.772 176.870 -0.008 0.000 1.058 341 L CA -0.385 54.452 54.840 -0.006 0.000 0.803 341 L CB 1.853 43.908 42.059 -0.006 0.000 1.212 341 L HN 1.001 nan 8.230 nan 0.000 0.451 342 S N -1.089 114.603 115.700 -0.013 0.000 2.614 342 S HA 0.103 4.573 4.470 0.000 0.000 0.265 342 S C 0.495 175.088 174.600 -0.013 0.000 1.303 342 S CA -0.697 57.495 58.200 -0.013 0.000 1.000 342 S CB 1.032 64.222 63.200 -0.017 0.000 0.935 342 S HN 0.598 nan 8.310 nan 0.000 0.551 343 D N 0.816 121.209 120.400 -0.011 0.000 2.117 343 D HA -0.110 4.530 4.640 0.000 0.000 0.197 343 D C 1.329 177.622 176.300 -0.012 0.000 0.987 343 D CA 1.303 55.297 54.000 -0.009 0.000 0.829 343 D CB -0.332 40.464 40.800 -0.007 0.000 0.961 343 D HN 0.613 nan 8.370 nan 0.000 0.460 344 D N 0.244 120.635 120.400 -0.015 0.000 2.097 344 D HA -0.090 4.550 4.640 0.000 0.000 0.195 344 D C 1.931 178.214 176.300 -0.028 0.000 0.989 344 D CA 1.152 55.141 54.000 -0.019 0.000 0.827 344 D CB -0.241 40.546 40.800 -0.020 0.000 0.966 344 D HN 0.145 nan 8.370 nan 0.000 0.456 345 T N 1.123 115.658 114.554 -0.033 0.000 2.833 345 T HA -0.093 4.257 4.350 0.000 0.000 0.269 345 T C 2.073 176.753 174.700 -0.033 0.000 1.054 345 T CA 0.781 62.856 62.100 -0.042 0.000 1.135 345 T CB 0.003 68.847 68.868 -0.040 0.000 0.869 345 T HN 0.144 nan 8.240 nan 0.000 0.466 346 M N 0.643 120.230 119.600 -0.022 0.000 2.156 346 M HA 0.041 4.521 4.480 0.000 0.000 0.264 346 M C 2.946 179.236 176.300 -0.016 0.000 1.067 346 M CA 1.230 56.520 55.300 -0.016 0.000 1.131 346 M CB -0.655 31.938 32.600 -0.011 0.000 1.368 346 M HN 0.309 nan 8.290 nan 0.000 0.416 347 A N 0.070 122.881 122.820 -0.014 0.000 1.892 347 A HA -0.265 4.055 4.320 0.000 0.000 0.218 347 A C 2.453 180.029 177.584 -0.012 0.000 1.188 347 A CA 2.112 54.143 52.037 -0.010 0.000 0.631 347 A CB -1.569 17.427 19.000 -0.007 0.000 0.822 347 A HN 0.678 nan 8.150 nan 0.000 0.447 348 c N -0.323 118.264 118.600 -0.022 0.000 2.413 348 c HA -0.093 4.477 4.570 0.000 0.000 0.277 348 c C 2.598 176.672 174.090 -0.026 0.000 1.228 348 c CA 1.382 57.694 56.329 -0.029 0.000 1.731 348 c CB -1.628 40.846 42.510 -0.061 0.000 2.042 348 c HN 0.570 nan 8.230 nan 0.000 0.468 349 L N 0.658 121.863 121.223 -0.030 0.000 2.275 349 L HA -0.092 4.248 4.340 0.000 0.000 0.215 349 L C 2.715 179.575 176.870 -0.017 0.000 1.119 349 L CA 1.025 55.849 54.840 -0.026 0.000 0.790 349 L CB -0.719 41.324 42.059 -0.026 0.000 0.919 349 L HN 0.439 nan 8.230 nan 0.000 0.443 350 Q N 0.066 119.858 119.800 -0.013 0.000 2.472 350 Q HA 0.037 4.377 4.340 0.000 0.000 0.208 350 Q C 1.575 177.572 176.000 -0.005 0.000 0.958 350 Q CA 0.975 56.773 55.803 -0.008 0.000 0.932 350 Q CB 0.557 29.291 28.738 -0.007 0.000 1.007 350 Q HN 0.625 nan 8.270 nan 0.000 0.508 351 G N 1.341 110.139 108.800 -0.004 0.000 2.205 351 G HA2 -0.203 3.757 3.960 0.000 0.000 0.180 351 G HA3 -0.203 3.757 3.960 0.000 0.000 0.180 351 G C 0.080 174.987 174.900 0.011 0.000 1.004 351 G CA -0.164 44.938 45.100 0.003 0.000 0.670 351 G HN 0.265 nan 8.290 nan 0.000 0.496 352 N N 1.527 120.233 118.700 0.009 0.000 2.719 352 N HA 0.407 5.147 4.740 0.000 0.000 0.243 352 N C 1.750 177.277 175.510 0.027 0.000 1.104 352 N CA -0.406 52.654 53.050 0.016 0.000 0.981 352 N CB 0.098 38.591 38.487 0.010 0.000 1.290 352 N HN 0.301 nan 8.380 nan 0.000 0.513 353 L N 1.003 122.253 121.223 0.046 0.000 2.265 353 L HA -0.140 4.200 4.340 0.000 0.000 0.215 353 L C 1.964 178.902 176.870 0.112 0.000 1.117 353 L CA 1.275 56.167 54.840 0.088 0.000 0.782 353 L CB -0.756 41.369 42.059 0.109 0.000 0.914 353 L HN 0.505 nan 8.230 nan 0.000 0.441 354 T N -3.514 111.084 114.554 0.073 0.000 3.155 354 T HA -0.069 4.281 4.350 0.000 0.000 0.264 354 T C 1.751 176.490 174.700 0.064 0.000 1.160 354 T CA 0.476 62.619 62.100 0.071 0.000 1.075 354 T CB -0.123 68.770 68.868 0.041 0.000 0.921 354 T HN 0.338 nan 8.240 nan 0.000 0.533 355 R N -0.438 120.089 120.500 0.046 0.000 2.335 355 R HA 0.278 4.618 4.340 0.000 0.000 0.210 355 R C 0.560 176.852 176.300 -0.013 0.000 0.892 355 R CA -0.154 55.957 56.100 0.017 0.000 1.048 355 R CB -0.087 30.213 30.300 0.002 0.000 1.067 355 R HN 0.388 nan 8.270 nan 0.000 0.524 356 c N 1.353 119.938 118.600 -0.026 0.000 2.705 356 c HA 0.229 4.799 4.570 0.000 0.000 0.365 356 c C 0.956 174.885 174.090 -0.268 0.000 1.353 356 c CA 0.024 56.235 56.329 -0.196 0.000 2.339 356 c CB 0.798 43.107 42.510 -0.334 0.000 2.576 356 c HN 0.234 nan 8.230 nan 0.000 0.716 357 T N 1.508 115.786 114.554 -0.459 0.000 2.824 357 T HA 0.593 4.943 4.350 0.000 0.000 0.282 357 T C -0.948 173.433 174.700 -0.532 0.000 0.993 357 T CA 0.013 61.927 62.100 -0.311 0.000 0.967 357 T CB 0.513 69.290 68.868 -0.152 0.000 0.960 357 T HN 0.362 nan 8.240 nan 0.000 0.441 358 F N 1.193 121.133 119.950 -0.017 0.000 2.495 358 F HA 0.597 5.124 4.527 0.000 0.000 0.327 358 F C 0.644 176.434 175.800 -0.018 0.000 1.103 358 F CA -0.891 57.099 58.000 -0.018 0.000 0.949 358 F CB 1.892 40.877 39.000 -0.025 0.000 1.142 358 F HN 0.364 nan 8.300 nan 0.000 0.457 359 S N 4.072 119.853 115.700 0.134 0.000 2.454 359 S HA 0.498 4.968 4.470 0.000 0.000 0.306 359 S C -2.706 171.943 174.600 0.080 0.000 1.100 359 S CA -1.428 56.819 58.200 0.077 0.000 1.087 359 S CB 1.614 64.837 63.200 0.037 0.000 1.019 359 S HN 0.277 nan 8.310 nan 0.000 0.480 360 P HA 0.227 nan 4.420 nan 0.000 0.271 360 P C -0.623 176.705 177.300 0.047 0.000 1.216 360 P CA -0.243 62.882 63.100 0.042 0.000 0.776 360 P CB 0.657 32.370 31.700 0.021 0.000 0.881 361 V N 0.485 120.432 119.914 0.056 0.000 3.102 361 V HA 0.492 4.612 4.120 0.000 0.000 0.312 361 V C -0.278 175.854 176.094 0.063 0.000 1.135 361 V CA -1.147 61.187 62.300 0.056 0.000 1.022 361 V CB 1.988 33.847 31.823 0.060 0.000 1.056 361 V HN 0.194 nan 8.190 nan 0.000 0.436 362 V N 2.645 122.594 119.914 0.057 0.000 2.299 362 V HA 0.593 4.713 4.120 0.000 0.000 0.255 362 V C 1.323 177.458 176.094 0.068 0.000 1.100 362 V CA 0.464 62.801 62.300 0.061 0.000 0.938 362 V CB -0.186 31.667 31.823 0.050 0.000 1.139 362 V HN 1.254 nan 8.190 nan 0.000 0.490 363 G N 3.815 112.665 108.800 0.082 0.000 2.716 363 G HA2 0.471 4.431 3.960 0.000 0.000 0.251 363 G HA3 0.471 4.431 3.960 0.000 0.000 0.251 363 G C 0.132 175.089 174.900 0.094 0.000 1.224 363 G CA 0.536 45.689 45.100 0.088 0.000 0.891 363 G HN 1.029 nan 8.290 nan 0.000 0.561 364 S N -1.284 114.480 115.700 0.106 0.000 2.643 364 S HA 0.400 4.870 4.470 0.000 0.000 0.270 364 S C 0.471 175.187 174.600 0.192 0.000 1.166 364 S CA -0.359 57.928 58.200 0.144 0.000 0.815 364 S CB 0.839 64.113 63.200 0.123 0.000 1.139 364 S HN 0.686 nan 8.310 nan 0.000 0.472 365 F N 1.271 121.288 119.950 0.111 0.000 2.095 365 F HA 0.063 4.590 4.527 0.000 0.000 0.298 365 F C 1.736 177.639 175.800 0.171 0.000 1.104 365 F CA 1.776 59.885 58.000 0.180 0.000 1.232 365 F CB -0.509 38.592 39.000 0.169 0.000 0.987 365 F HN 0.566 nan 8.300 nan 0.000 0.475 366 L N -0.207 121.071 121.223 0.092 0.000 2.450 366 L HA -0.124 4.216 4.340 0.000 0.000 0.224 366 L C 1.550 178.313 176.870 -0.179 0.000 1.149 366 L CA 1.503 56.288 54.840 -0.091 0.000 0.816 366 L CB -1.046 41.027 42.059 0.025 0.000 0.932 366 L HN 0.383 nan 8.230 nan 0.000 0.449 367 T N -5.696 108.800 114.554 -0.096 0.000 3.170 367 T HA 0.194 4.544 4.350 0.000 0.000 0.288 367 T C 1.324 176.009 174.700 -0.025 0.000 0.992 367 T CA -0.469 61.589 62.100 -0.071 0.000 0.909 367 T CB 0.247 69.112 68.868 -0.006 0.000 1.133 367 T HN 0.165 nan 8.240 nan 0.000 0.530 368 R N 0.615 121.114 120.500 -0.001 0.000 2.362 368 R HA 0.461 4.801 4.340 0.000 0.000 0.227 368 R C -0.368 176.071 176.300 0.231 0.000 0.905 368 R CA 0.000 56.172 56.100 0.119 0.000 1.067 368 R CB 0.334 30.727 30.300 0.155 0.000 1.078 368 R HN 0.624 nan 8.270 nan 0.000 0.516 369 F N -3.824 116.081 119.950 -0.074 0.000 2.773 369 F HA 0.673 5.200 4.527 0.000 0.000 0.314 369 F C -1.572 174.223 175.800 -0.007 0.000 1.160 369 F CA -1.368 56.623 58.000 -0.015 0.000 0.920 369 F CB 1.206 40.194 39.000 -0.020 0.000 1.323 369 F HN -0.368 nan 8.300 nan 0.000 0.457 370 V N 1.767 121.740 119.914 0.097 0.000 3.077 370 V HA 0.511 4.631 4.120 0.000 0.000 0.299 370 V C -1.689 174.529 176.094 0.207 0.000 1.276 370 V CA -0.715 61.571 62.300 -0.024 0.000 0.993 370 V CB 2.468 34.292 31.823 0.002 0.000 1.076 370 V HN 0.835 nan 8.190 nan 0.000 0.434 371 L N 3.950 125.243 121.223 0.116 0.000 2.275 371 L HA 0.563 4.903 4.340 0.000 0.000 0.288 371 L C -0.894 176.076 176.870 0.166 0.000 1.046 371 L CA 0.234 55.168 54.840 0.156 0.000 0.805 371 L CB 1.165 43.227 42.059 0.006 0.000 1.193 371 L HN 0.585 nan 8.230 nan 0.000 0.426 372 F N 4.039 124.053 119.950 0.106 0.000 2.434 372 F HA 0.320 4.847 4.527 0.000 0.000 0.367 372 F C 0.227 176.072 175.800 0.075 0.000 1.093 372 F CA -0.683 57.344 58.000 0.045 0.000 1.085 372 F CB 0.249 39.227 39.000 -0.038 0.000 1.322 372 F HN 0.617 nan 8.300 nan 0.000 0.452 373 D N 4.353 124.593 120.400 -0.268 0.000 2.708 373 D HA -0.214 4.426 4.640 0.000 0.000 0.236 373 D C 1.246 177.553 176.300 0.011 0.000 1.146 373 D CA 1.624 55.531 54.000 -0.156 0.000 0.662 373 D CB -0.950 39.737 40.800 -0.188 0.000 1.059 373 D HN 1.120 nan 8.370 nan 0.000 0.428 374 G N -1.372 107.447 108.800 0.033 0.000 2.234 374 G HA2 -0.287 3.673 3.960 0.000 0.000 0.235 374 G HA3 -0.287 3.673 3.960 0.000 0.000 0.235 374 G C 0.312 175.295 174.900 0.139 0.000 0.997 374 G CA 0.265 45.407 45.100 0.069 0.000 0.623 374 G HN 0.444 nan 8.290 nan 0.000 0.514 375 I N 1.767 122.464 120.570 0.212 0.000 2.437 375 I HA 0.648 4.818 4.170 0.000 0.000 0.298 375 I C 0.909 177.216 176.117 0.316 0.000 0.984 375 I CA -1.153 60.289 61.300 0.236 0.000 1.214 375 I CB 1.298 39.461 38.000 0.271 0.000 1.365 375 I HN 0.338 nan 8.210 nan 0.000 0.469 376 V N 5.457 125.512 119.914 0.234 0.000 2.713 376 V HA 0.545 4.665 4.120 0.000 0.000 0.307 376 V C -1.565 174.631 176.094 0.170 0.000 1.052 376 V CA -0.354 62.135 62.300 0.315 0.000 0.967 376 V CB 1.792 33.820 31.823 0.342 0.000 1.019 376 V HN 0.528 nan 8.190 nan 0.000 0.459 377 Y N 3.546 123.958 120.300 0.186 0.000 2.332 377 Y HA 0.853 5.403 4.550 0.000 0.000 0.326 377 Y C 0.366 176.364 175.900 0.163 0.000 0.978 377 Y CA 0.214 58.390 58.100 0.126 0.000 1.205 377 Y CB 1.655 40.159 38.460 0.074 0.000 1.131 377 Y HN 1.149 nan 8.280 nan 0.000 0.462 378 A N 2.285 125.227 122.820 0.204 0.000 2.485 378 A HA 0.601 4.921 4.320 0.000 0.000 0.292 378 A C -0.965 176.693 177.584 0.124 0.000 1.147 378 A CA -0.938 51.216 52.037 0.196 0.000 0.750 378 A CB 1.349 20.432 19.000 0.140 0.000 1.331 378 A HN 0.550 nan 8.150 nan 0.000 0.419 379 N N 0.768 119.539 118.700 0.119 0.000 3.105 379 N HA 0.132 4.872 4.740 0.000 0.000 0.256 379 N C 0.227 175.756 175.510 0.032 0.000 1.174 379 N CA -0.387 52.717 53.050 0.089 0.000 1.030 379 N CB -0.248 38.309 38.487 0.116 0.000 1.305 379 N HN 0.458 nan 8.380 nan 0.000 0.509 380 c N 1.083 119.684 118.600 0.001 0.000 2.485 380 c HA 0.026 4.596 4.570 0.000 0.000 0.283 380 c C 2.460 176.491 174.090 -0.098 0.000 1.478 380 c CA 0.973 57.277 56.329 -0.042 0.000 1.741 380 c CB -1.964 40.519 42.510 -0.045 0.000 1.675 380 c HN 0.794 nan 8.230 nan 0.000 0.573 381 R N -0.244 120.162 120.500 -0.156 0.000 2.123 381 R HA 0.072 4.412 4.340 0.000 0.000 0.209 381 R C 1.981 178.067 176.300 -0.355 0.000 1.078 381 R CA 1.461 57.351 56.100 -0.350 0.000 1.028 381 R CB -1.087 28.812 30.300 -0.669 0.000 0.939 381 R HN 0.483 nan 8.270 nan 0.000 0.463 382 S N -0.243 115.319 115.700 -0.230 0.000 2.527 382 S HA 0.267 4.737 4.470 0.000 0.000 0.222 382 S C 0.622 175.208 174.600 -0.024 0.000 0.985 382 S CA 0.586 58.725 58.200 -0.102 0.000 0.921 382 S CB -0.104 63.120 63.200 0.039 0.000 0.772 382 S HN 0.622 nan 8.310 nan 0.000 0.529 383 M N 0.992 120.578 119.600 -0.023 0.000 2.550 383 M HA 0.477 4.957 4.480 0.000 0.000 0.292 383 M C -1.959 174.331 176.300 -0.017 0.000 1.221 383 M CA -0.989 54.323 55.300 0.020 0.000 0.873 383 M CB 1.624 34.266 32.600 0.070 0.000 1.727 383 M HN 0.021 nan 8.290 nan 0.000 0.459 384 L N 4.302 125.522 121.223 -0.005 0.000 2.385 384 L HA 0.343 4.683 4.340 0.000 0.000 0.285 384 L C -1.325 175.518 176.870 -0.045 0.000 1.125 384 L CA 0.157 54.979 54.840 -0.030 0.000 0.890 384 L CB -0.074 41.971 42.059 -0.023 0.000 1.251 384 L HN 0.719 nan 8.230 nan 0.000 0.445 385 c N 5.183 123.745 118.600 -0.063 0.000 2.210 385 c HA 0.192 4.762 4.570 0.000 0.000 0.377 385 c C 0.863 174.898 174.090 -0.091 0.000 1.037 385 c CA -0.760 55.516 56.329 -0.090 0.000 1.405 385 c CB -1.317 41.141 42.510 -0.086 0.000 1.802 385 c HN 0.708 nan 8.230 nan 0.000 0.495 386 K N 2.849 123.191 120.400 -0.096 0.000 2.219 386 K HA 0.208 4.528 4.320 0.000 0.000 0.280 386 K C 0.145 176.679 176.600 -0.110 0.000 1.104 386 K CA -0.300 55.933 56.287 -0.089 0.000 0.925 386 K CB 0.037 32.491 32.500 -0.076 0.000 1.261 386 K HN 0.787 nan 8.250 nan 0.000 0.445 387 c N 5.402 123.942 118.600 -0.100 0.000 2.648 387 c HA 0.087 4.657 4.570 0.000 0.000 0.415 387 c C 1.544 175.579 174.090 -0.091 0.000 1.366 387 c CA -0.479 55.787 56.329 -0.105 0.000 1.756 387 c CB -0.325 42.135 42.510 -0.083 0.000 2.549 387 c HN 1.016 nan 8.230 nan 0.000 0.597 388 M N 4.114 123.653 119.600 -0.102 0.000 2.299 388 M HA 0.126 4.606 4.480 0.000 0.000 0.264 388 M C 2.338 178.602 176.300 -0.061 0.000 1.095 388 M CA 2.390 57.642 55.300 -0.081 0.000 1.165 388 M CB -1.290 31.255 32.600 -0.091 0.000 1.349 388 M HN 0.948 nan 8.290 nan 0.000 0.446 389 Q N 0.741 120.506 119.800 -0.060 0.000 1.891 389 Q HA -0.093 4.247 4.340 0.000 0.000 0.214 389 Q C -0.750 175.228 176.000 -0.037 0.000 0.995 389 Q CA 1.993 57.770 55.803 -0.042 0.000 0.866 389 Q CB -2.850 25.865 28.738 -0.038 0.000 0.931 389 Q HN 0.426 nan 8.270 nan 0.000 0.422 390 P HA 0.354 nan 4.420 nan 0.000 0.259 390 P C -0.390 176.889 177.300 -0.035 0.000 1.307 390 P CA 0.546 63.627 63.100 -0.033 0.000 0.768 390 P CB -0.570 31.111 31.700 -0.032 0.000 1.199 391 A N -0.628 122.168 122.820 -0.040 0.000 2.151 391 A HA 0.016 4.336 4.320 0.000 0.000 0.271 391 A C 0.652 178.212 177.584 -0.039 0.000 1.348 391 A CA 0.934 52.946 52.037 -0.041 0.000 0.763 391 A CB -1.653 17.327 19.000 -0.034 0.000 1.117 391 A HN 0.413 nan 8.150 nan 0.000 0.342 392 A N -0.008 122.785 122.820 -0.045 0.000 2.569 392 A HA 0.778 5.098 4.320 0.000 0.000 0.290 392 A C -0.368 177.187 177.584 -0.049 0.000 1.136 392 A CA -0.093 51.919 52.037 -0.042 0.000 0.710 392 A CB 1.401 20.378 19.000 -0.038 0.000 1.303 392 A HN 1.270 nan 8.150 nan 0.000 0.413 393 V N 1.919 121.805 119.914 -0.046 0.000 2.364 393 V HA 0.250 4.370 4.120 0.000 0.000 0.272 393 V C 0.051 176.115 176.094 -0.051 0.000 1.036 393 V CA -0.140 62.130 62.300 -0.051 0.000 0.880 393 V CB 0.895 32.690 31.823 -0.047 0.000 0.991 393 V HN 0.640 nan 8.190 nan 0.000 0.460 394 I N 6.429 126.964 120.570 -0.058 0.000 2.587 394 I HA 0.105 4.275 4.170 0.000 0.000 0.284 394 I C -0.073 176.011 176.117 -0.054 0.000 1.134 394 I CA 0.316 61.583 61.300 -0.055 0.000 1.410 394 I CB 0.316 38.279 38.000 -0.061 0.000 1.392 394 I HN 0.392 nan 8.210 nan 0.000 0.545 395 L N 7.118 128.313 121.223 -0.047 0.000 2.289 395 L HA 0.393 4.733 4.340 0.000 0.000 0.285 395 L C 0.029 176.874 176.870 -0.043 0.000 1.049 395 L CA -0.418 54.393 54.840 -0.048 0.000 0.804 395 L CB 1.113 43.148 42.059 -0.039 0.000 1.195 395 L HN 0.579 nan 8.230 nan 0.000 0.428 396 Q N 5.355 125.125 119.800 -0.050 0.000 2.372 396 Q HA 0.381 4.721 4.340 0.000 0.000 0.259 396 Q C -2.282 173.709 176.000 -0.013 0.000 0.993 396 Q CA -1.777 54.007 55.803 -0.032 0.000 0.854 396 Q CB 1.490 30.205 28.738 -0.039 0.000 1.231 396 Q HN 0.350 nan 8.270 nan 0.000 0.462 397 P HA 0.050 nan 4.420 nan 0.000 0.271 397 P C -0.096 177.230 177.300 0.043 0.000 1.218 397 P CA -0.101 63.007 63.100 0.015 0.000 0.780 397 P CB 1.414 33.118 31.700 0.007 0.000 0.901 398 S N 1.008 116.743 115.700 0.057 0.000 2.440 398 S HA -0.121 4.349 4.470 0.000 0.000 0.238 398 S C 1.620 176.245 174.600 0.042 0.000 1.010 398 S CA 1.612 59.862 58.200 0.084 0.000 0.972 398 S CB -0.575 62.667 63.200 0.069 0.000 0.774 398 S HN 0.735 nan 8.310 nan 0.000 0.501 399 S N 0.097 115.810 115.700 0.023 0.000 2.701 399 S HA 0.248 4.718 4.470 0.000 0.000 0.220 399 S C 0.336 174.941 174.600 0.009 0.000 0.954 399 S CA -0.398 57.806 58.200 0.007 0.000 0.936 399 S CB 0.121 63.323 63.200 0.004 0.000 0.777 399 S HN 0.105 nan 8.310 nan 0.000 0.518 400 S N 3.298 119.012 115.700 0.023 0.000 2.746 400 S HA 0.399 4.869 4.470 0.000 0.000 0.273 400 S C -2.133 172.496 174.600 0.049 0.000 1.172 400 S CA -1.042 57.173 58.200 0.026 0.000 1.116 400 S CB 2.125 65.337 63.200 0.020 0.000 1.057 400 S HN 0.178 nan 8.310 nan 0.000 0.483 401 P HA 0.045 nan 4.420 nan 0.000 0.226 401 P C -0.076 177.279 177.300 0.093 0.000 1.153 401 P CA 0.585 63.715 63.100 0.050 0.000 0.777 401 P CB 0.324 32.006 31.700 -0.030 0.000 0.794 402 V N -0.358 119.603 119.914 0.078 0.000 2.817 402 V HA 0.219 4.339 4.120 0.000 0.000 0.303 402 V C -0.107 176.017 176.094 0.050 0.000 1.151 402 V CA -0.638 61.716 62.300 0.089 0.000 0.929 402 V CB 2.299 34.200 31.823 0.130 0.000 1.030 402 V HN 0.059 nan 8.190 nan 0.000 0.427 403 T N 1.546 116.112 114.554 0.020 0.000 2.928 403 T HA 0.801 5.151 4.350 0.000 0.000 0.284 403 T C -0.509 174.114 174.700 -0.129 0.000 1.008 403 T CA -0.716 61.361 62.100 -0.040 0.000 1.057 403 T CB 1.845 70.688 68.868 -0.041 0.000 1.018 403 T HN 0.364 nan 8.240 nan 0.000 0.493 404 V N 2.706 122.492 119.914 -0.214 0.000 2.435 404 V HA 0.453 4.573 4.120 0.000 0.000 0.290 404 V C -0.046 175.903 176.094 -0.241 0.000 1.030 404 V CA -0.877 61.165 62.300 -0.430 0.000 0.881 404 V CB 1.239 32.783 31.823 -0.466 0.000 0.983 404 V HN 0.841 nan 8.190 nan 0.000 0.445 405 I N 5.378 125.822 120.570 -0.210 0.000 2.502 405 I HA 0.340 4.510 4.170 0.000 0.000 0.276 405 I C -0.439 175.657 176.117 -0.035 0.000 1.057 405 I CA -0.489 60.759 61.300 -0.087 0.000 1.163 405 I CB 1.074 39.050 38.000 -0.040 0.000 1.288 405 I HN 0.710 nan 8.210 nan 0.000 0.479 406 D N 4.508 124.888 120.400 -0.033 0.000 2.564 406 D HA 0.213 4.853 4.640 0.000 0.000 0.273 406 D C 1.137 177.447 176.300 0.016 0.000 1.192 406 D CA -0.824 53.184 54.000 0.013 0.000 1.080 406 D CB 0.842 41.650 40.800 0.014 0.000 1.160 406 D HN 0.376 nan 8.370 nan 0.000 0.607 407 M N -0.638 118.979 119.600 0.029 0.000 2.082 407 M HA -0.242 4.238 4.480 0.000 0.000 0.258 407 M C 2.506 178.809 176.300 0.005 0.000 1.069 407 M CA 2.511 57.824 55.300 0.022 0.000 1.102 407 M CB -0.740 31.876 32.600 0.027 0.000 1.336 407 M HN 0.537 nan 8.290 nan 0.000 0.404 408 Y N -0.293 120.008 120.300 0.002 0.000 2.365 408 Y HA -0.260 4.290 4.550 0.000 0.000 0.287 408 Y C 2.074 177.965 175.900 -0.014 0.000 1.162 408 Y CA 2.346 60.444 58.100 -0.005 0.000 1.260 408 Y CB -1.125 37.332 38.460 -0.004 0.000 0.976 408 Y HN 0.455 nan 8.280 nan 0.000 0.548 409 K N -2.446 117.942 120.400 -0.020 0.000 2.334 409 K HA 0.324 4.644 4.320 0.000 0.000 0.195 409 K C -0.240 176.339 176.600 -0.035 0.000 1.045 409 K CA 0.918 57.187 56.287 -0.030 0.000 1.004 409 K CB 0.548 33.024 32.500 -0.040 0.000 0.837 409 K HN 0.457 nan 8.250 nan 0.000 0.510 410 c N -0.444 118.138 118.600 -0.031 0.000 3.178 410 c HA 0.138 4.708 4.570 0.000 0.000 0.428 410 c C 0.765 174.838 174.090 -0.029 0.000 0.967 410 c CA -0.875 55.428 56.329 -0.042 0.000 1.205 410 c CB 1.058 43.526 42.510 -0.069 0.000 1.584 410 c HN 0.160 nan 8.230 nan 0.000 0.591 411 V N 3.790 123.688 119.914 -0.028 0.000 3.590 411 V HA 0.365 4.485 4.120 0.000 0.000 0.265 411 V C 0.764 176.844 176.094 -0.023 0.000 1.239 411 V CA 1.616 63.909 62.300 -0.010 0.000 1.117 411 V CB 0.676 32.496 31.823 -0.004 0.000 0.818 411 V HN 0.872 nan 8.190 nan 0.000 0.451 412 S N 0.521 116.182 115.700 -0.065 0.000 2.776 412 S HA 0.582 5.052 4.470 0.000 0.000 0.284 412 S C -1.289 173.198 174.600 -0.188 0.000 1.160 412 S CA -0.508 57.629 58.200 -0.105 0.000 1.051 412 S CB 1.245 64.402 63.200 -0.071 0.000 1.037 412 S HN 0.290 nan 8.310 nan 0.000 0.485 413 L N 4.481 125.493 121.223 -0.352 0.000 2.334 413 L HA 0.715 5.055 4.340 0.000 0.000 0.273 413 L C -0.529 176.032 176.870 -0.516 0.000 1.013 413 L CA -0.069 54.501 54.840 -0.451 0.000 0.816 413 L CB 1.905 43.617 42.059 -0.579 0.000 1.278 413 L HN 0.775 nan 8.230 nan 0.000 0.431 414 Q N 4.345 123.945 119.800 -0.332 0.000 2.309 414 Q HA 0.566 4.906 4.340 0.000 0.000 0.270 414 Q C -2.015 173.874 176.000 -0.185 0.000 1.023 414 Q CA -0.441 55.219 55.803 -0.239 0.000 0.758 414 Q CB 1.334 29.987 28.738 -0.142 0.000 1.247 414 Q HN 0.770 nan 8.270 nan 0.000 0.455 415 L N 4.560 125.703 121.223 -0.134 0.000 2.384 415 L HA 0.324 4.664 4.340 0.000 0.000 0.261 415 L C -0.733 176.211 176.870 0.124 0.000 1.024 415 L CA -0.653 54.166 54.840 -0.034 0.000 0.899 415 L CB 1.121 43.065 42.059 -0.191 0.000 1.243 415 L HN 0.847 nan 8.230 nan 0.000 0.449 416 D N 3.338 123.754 120.400 0.027 0.000 2.812 416 D HA -0.258 4.382 4.640 0.000 0.000 0.237 416 D C 0.566 176.762 176.300 -0.174 0.000 1.162 416 D CA 0.938 54.897 54.000 -0.069 0.000 0.740 416 D CB -0.422 40.338 40.800 -0.066 0.000 1.000 416 D HN 0.844 nan 8.370 nan 0.000 0.416 417 N N -1.806 116.837 118.700 -0.095 0.000 2.984 417 N HA -0.243 4.497 4.740 0.000 0.000 0.227 417 N C -0.230 175.264 175.510 -0.027 0.000 0.903 417 N CA 0.950 53.952 53.050 -0.081 0.000 0.995 417 N CB -1.033 37.379 38.487 -0.124 0.000 1.065 417 N HN 0.464 nan 8.380 nan 0.000 0.585 418 L N 1.471 122.710 121.223 0.027 0.000 2.319 418 L HA 0.486 4.826 4.340 0.000 0.000 0.281 418 L C -0.138 176.788 176.870 0.093 0.000 1.005 418 L CA -0.260 54.667 54.840 0.145 0.000 0.828 418 L CB 1.158 43.426 42.059 0.348 0.000 1.227 418 L HN -0.001 nan 8.230 nan 0.000 0.415 419 R N 4.603 125.155 120.500 0.088 0.000 2.637 419 R HA 0.799 5.139 4.340 0.000 0.000 0.291 419 R C -1.519 174.848 176.300 0.111 0.000 0.963 419 R CA -0.547 55.534 56.100 -0.031 0.000 0.901 419 R CB 1.775 32.057 30.300 -0.030 0.000 1.160 419 R HN 0.639 nan 8.270 nan 0.000 0.457 420 F N -2.168 117.792 119.950 0.017 0.000 2.773 420 F HA 0.435 4.962 4.527 0.000 0.000 0.314 420 F C -0.984 174.826 175.800 0.016 0.000 1.160 420 F CA -1.052 56.963 58.000 0.025 0.000 0.920 420 F CB 1.056 40.084 39.000 0.046 0.000 1.323 420 F HN 0.192 nan 8.300 nan 0.000 0.457 421 T N 2.032 116.774 114.554 0.313 0.000 2.918 421 T HA 0.713 5.063 4.350 0.000 0.000 0.283 421 T C -0.490 174.388 174.700 0.295 0.000 1.001 421 T CA -0.354 61.857 62.100 0.185 0.000 1.041 421 T CB 1.057 69.999 68.868 0.123 0.000 1.028 421 T HN 0.534 nan 8.240 nan 0.000 0.511 422 I N 2.173 122.842 120.570 0.165 0.000 2.468 422 I HA 0.268 4.438 4.170 0.000 0.000 0.284 422 I C 0.470 176.644 176.117 0.095 0.000 1.038 422 I CA -0.566 60.835 61.300 0.168 0.000 1.083 422 I CB 1.895 39.983 38.000 0.145 0.000 1.223 422 I HN 0.782 nan 8.210 nan 0.000 0.443 423 T N 0.489 115.095 114.554 0.087 0.000 3.393 423 T HA 0.350 4.700 4.350 0.000 0.000 0.298 423 T C 0.118 174.850 174.700 0.053 0.000 1.004 423 T CA -0.479 61.657 62.100 0.059 0.000 0.956 423 T CB 0.114 69.012 68.868 0.051 0.000 1.182 423 T HN 0.318 nan 8.240 nan 0.000 0.497 424 Q N 1.107 120.945 119.800 0.064 0.000 2.345 424 Q HA 0.623 4.963 4.340 0.000 0.000 0.268 424 Q C -0.831 175.206 176.000 0.061 0.000 1.054 424 Q CA -0.635 55.205 55.803 0.061 0.000 0.835 424 Q CB 2.836 31.618 28.738 0.073 0.000 1.339 424 Q HN 0.460 nan 8.270 nan 0.000 0.447 425 L N 0.869 122.125 121.223 0.055 0.000 2.325 425 L HA 0.708 5.048 4.340 0.000 0.000 0.278 425 L C 0.468 177.376 176.870 0.064 0.000 1.023 425 L CA -0.853 54.016 54.840 0.049 0.000 0.811 425 L CB 1.577 43.658 42.059 0.036 0.000 1.249 425 L HN 0.661 nan 8.230 nan 0.000 0.431 426 A N 2.105 124.960 122.820 0.057 0.000 2.296 426 A HA 0.333 4.653 4.320 0.000 0.000 0.276 426 A C -0.046 177.575 177.584 0.062 0.000 1.356 426 A CA -0.208 51.873 52.037 0.074 0.000 0.825 426 A CB 0.194 19.220 19.000 0.044 0.000 1.308 426 A HN 0.726 nan 8.150 nan 0.000 0.515 427 N N -0.489 118.251 118.700 0.066 0.000 2.690 427 N HA 0.260 5.000 4.740 0.000 0.000 0.255 427 N C -1.183 174.352 175.510 0.042 0.000 1.195 427 N CA -0.351 52.730 53.050 0.052 0.000 0.790 427 N CB 0.820 39.342 38.487 0.059 0.000 1.216 427 N HN 0.295 nan 8.380 nan 0.000 0.528 428 V N 2.610 122.541 119.914 0.029 0.000 2.703 428 V HA -0.075 4.045 4.120 0.000 0.000 0.300 428 V C 1.466 177.574 176.094 0.023 0.000 1.063 428 V CA 1.557 63.870 62.300 0.022 0.000 1.240 428 V CB -0.165 31.667 31.823 0.014 0.000 0.845 428 V HN 0.818 nan 8.190 nan 0.000 0.476 429 T N 0.039 114.608 114.554 0.025 0.000 3.262 429 T HA 0.161 4.511 4.350 0.000 0.000 0.300 429 T C 0.559 175.271 174.700 0.020 0.000 0.959 429 T CA 0.540 62.653 62.100 0.023 0.000 0.936 429 T CB -0.372 68.511 68.868 0.026 0.000 1.169 429 T HN 0.792 nan 8.240 nan 0.000 0.532 430 Y N 1.681 121.992 120.300 0.018 0.000 2.685 430 Y HA 0.332 4.882 4.550 0.000 0.000 0.365 430 Y C 1.634 177.542 175.900 0.012 0.000 1.113 430 Y CA -0.514 57.595 58.100 0.016 0.000 1.470 430 Y CB -1.560 36.908 38.460 0.012 0.000 1.361 430 Y HN 0.437 nan 8.280 nan 0.000 0.490 431 N N 0.782 119.489 118.700 0.012 0.000 2.104 431 N HA -0.113 4.627 4.740 0.000 0.000 0.190 431 N C 1.106 176.622 175.510 0.009 0.000 1.024 431 N CA 1.595 54.651 53.050 0.010 0.000 0.853 431 N CB -0.138 38.355 38.487 0.010 0.000 1.008 431 N HN 0.631 nan 8.380 nan 0.000 0.424 432 S N 0.244 115.951 115.700 0.011 0.000 2.489 432 S HA 0.386 4.856 4.470 0.000 0.000 0.291 432 S C 0.107 174.713 174.600 0.010 0.000 1.151 432 S CA -0.863 57.343 58.200 0.010 0.000 1.082 432 S CB 1.952 65.159 63.200 0.011 0.000 1.019 432 S HN -0.014 nan 8.310 nan 0.000 0.492 433 T N 3.206 117.764 114.554 0.008 0.000 2.856 433 T HA 0.278 4.628 4.350 0.000 0.000 0.306 433 T C 0.384 175.089 174.700 0.008 0.000 1.062 433 T CA -0.241 61.863 62.100 0.006 0.000 1.083 433 T CB 0.019 68.888 68.868 0.003 0.000 0.984 433 T HN 0.611 nan 8.240 nan 0.000 0.542 434 I N 1.880 122.454 120.570 0.006 0.000 2.325 434 I HA 0.397 4.567 4.170 0.000 0.000 0.291 434 I C 0.736 176.852 176.117 -0.003 0.000 1.019 434 I CA -0.569 60.734 61.300 0.006 0.000 1.302 434 I CB 0.451 38.452 38.000 0.002 0.000 1.401 434 I HN 0.596 nan 8.210 nan 0.000 0.485 435 K N 8.217 128.620 120.400 0.004 0.000 2.281 435 K HA 0.761 5.081 4.320 0.000 0.000 0.272 435 K C -1.067 175.533 176.600 0.000 0.000 1.048 435 K CA -0.291 55.996 56.287 0.000 0.000 0.898 435 K CB 0.689 33.193 32.500 0.007 0.000 1.128 435 K HN 0.629 nan 8.250 nan 0.000 0.460 436 L N 2.011 123.220 121.223 -0.023 0.000 2.438 436 L HA 0.615 4.955 4.340 0.000 0.000 0.270 436 L C 0.335 177.178 176.870 -0.044 0.000 0.972 436 L CA -1.059 53.759 54.840 -0.036 0.000 0.831 436 L CB 2.248 44.237 42.059 -0.116 0.000 1.273 436 L HN 0.834 nan 8.230 nan 0.000 0.405 437 E N 0.408 120.600 120.200 -0.014 0.000 2.216 437 E HA 0.388 4.738 4.350 0.000 0.000 0.279 437 E C 0.947 177.536 176.600 -0.019 0.000 0.997 437 E CA -0.054 56.337 56.400 -0.016 0.000 0.817 437 E CB 1.635 31.337 29.700 0.003 0.000 1.096 437 E HN 0.766 nan 8.360 nan 0.000 0.393 438 S N 0.261 115.941 115.700 -0.034 0.000 2.465 438 S HA -0.202 4.268 4.470 0.000 0.000 0.241 438 S C 1.902 176.498 174.600 -0.006 0.000 1.000 438 S CA 1.603 59.781 58.200 -0.038 0.000 0.964 438 S CB -0.559 62.615 63.200 -0.045 0.000 0.763 438 S HN 1.067 nan 8.310 nan 0.000 0.512 439 S N 1.225 116.929 115.700 0.007 0.000 2.515 439 S HA -0.018 4.452 4.470 0.000 0.000 0.231 439 S C 1.615 176.241 174.600 0.042 0.000 0.987 439 S CA 0.370 58.580 58.200 0.017 0.000 0.936 439 S CB -0.539 62.669 63.200 0.013 0.000 0.766 439 S HN 0.713 nan 8.310 nan 0.000 0.528 440 Q N 0.292 120.136 119.800 0.074 0.000 2.403 440 Q HA 0.320 4.660 4.340 0.000 0.000 0.203 440 Q C -0.146 175.973 176.000 0.199 0.000 0.932 440 Q CA 0.302 56.194 55.803 0.148 0.000 0.945 440 Q CB -0.007 28.883 28.738 0.254 0.000 1.045 440 Q HN 0.611 nan 8.270 nan 0.000 0.511 441 I N 2.570 123.210 120.570 0.117 0.000 2.307 441 I HA 0.219 4.389 4.170 0.000 0.000 0.287 441 I C -0.774 175.379 176.117 0.059 0.000 1.054 441 I CA -0.651 60.712 61.300 0.106 0.000 1.218 441 I CB 0.341 38.357 38.000 0.028 0.000 1.398 441 I HN 0.015 nan 8.210 nan 0.000 0.475 442 L N 3.017 124.276 121.223 0.060 0.000 2.491 442 L HA 0.665 5.005 4.340 0.000 0.000 0.254 442 L C -0.373 176.512 176.870 0.025 0.000 1.048 442 L CA -0.737 54.122 54.840 0.031 0.000 0.855 442 L CB 1.670 43.742 42.059 0.021 0.000 1.466 442 L HN 0.195 nan 8.230 nan 0.000 0.409 443 S N -0.303 115.406 115.700 0.015 0.000 2.537 443 S HA 0.609 5.079 4.470 0.000 0.000 0.275 443 S C 0.365 174.966 174.600 0.003 0.000 1.272 443 S CA -0.372 57.835 58.200 0.010 0.000 1.050 443 S CB 0.398 63.603 63.200 0.009 0.000 0.961 443 S HN 0.651 nan 8.310 nan 0.000 0.496 444 I N 2.729 123.298 120.570 -0.001 0.000 3.904 444 I HA 0.188 4.358 4.170 0.000 0.000 0.333 444 I C 0.436 176.549 176.117 -0.007 0.000 1.361 444 I CA 0.050 61.344 61.300 -0.008 0.000 1.116 444 I CB 0.217 38.207 38.000 -0.017 0.000 1.028 444 I HN 0.609 nan 8.210 nan 0.000 0.398 445 D N 1.158 121.556 120.400 -0.003 0.000 2.277 445 D HA 0.099 4.739 4.640 0.000 0.000 0.249 445 D C -1.691 174.607 176.300 -0.003 0.000 1.134 445 D CA -1.745 52.254 54.000 -0.002 0.000 0.863 445 D CB 2.003 42.803 40.800 0.001 0.000 1.143 445 D HN -0.102 nan 8.370 nan 0.000 0.458 446 P HA -0.245 nan 4.420 nan 0.000 0.214 446 P C 1.675 178.974 177.300 -0.002 0.000 1.164 446 P CA 0.880 63.978 63.100 -0.004 0.000 0.942 446 P CB 0.043 31.740 31.700 -0.004 0.000 0.791 447 L N 0.088 121.310 121.223 -0.001 0.000 1.991 447 L HA -0.254 4.086 4.340 0.000 0.000 0.221 447 L C 1.701 178.572 176.870 0.001 0.000 1.079 447 L CA 2.217 57.057 54.840 0.000 0.000 0.778 447 L CB -1.694 40.365 42.059 0.001 0.000 0.893 447 L HN -0.054 nan 8.230 nan 0.000 0.437 448 D N -0.330 120.071 120.400 0.001 0.000 2.123 448 D HA -0.214 4.426 4.640 0.000 0.000 0.196 448 D C 2.351 178.652 176.300 0.001 0.000 0.992 448 D CA 2.078 56.080 54.000 0.002 0.000 0.833 448 D CB -0.203 40.599 40.800 0.004 0.000 0.954 448 D HN 0.516 nan 8.370 nan 0.000 0.455 449 I N 1.353 121.923 120.570 -0.000 0.000 2.226 449 I HA -0.273 3.897 4.170 0.000 0.000 0.245 449 I C 2.634 178.750 176.117 -0.001 0.000 1.100 449 I CA 1.238 62.537 61.300 -0.001 0.000 1.374 449 I CB -0.341 37.657 38.000 -0.003 0.000 1.057 449 I HN 0.015 nan 8.210 nan 0.000 0.413 450 S N 0.782 116.481 115.700 -0.001 0.000 2.370 450 S HA -0.269 4.201 4.470 0.000 0.000 0.226 450 S C 1.902 176.502 174.600 -0.000 0.000 1.033 450 S CA 1.189 59.389 58.200 -0.001 0.000 1.011 450 S CB -0.651 62.548 63.200 -0.001 0.000 0.852 450 S HN 0.516 nan 8.310 nan 0.000 0.457 451 Q N 1.514 121.314 119.800 0.000 0.000 2.020 451 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 451 Q C 2.176 178.176 176.000 0.000 0.000 0.982 451 Q CA 1.477 57.280 55.803 0.001 0.000 0.838 451 Q CB -0.434 28.305 28.738 0.001 0.000 0.899 451 Q HN 0.559 nan 8.270 nan 0.000 0.423 452 N N 0.896 119.597 118.700 0.000 0.000 2.104 452 N HA -0.166 4.574 4.740 0.000 0.000 0.190 452 N C 1.782 177.292 175.510 -0.000 0.000 1.024 452 N CA 0.952 54.002 53.050 0.000 0.000 0.853 452 N CB -0.285 38.202 38.487 0.000 0.000 1.008 452 N HN 0.160 nan 8.380 nan 0.000 0.424 453 L N 1.013 122.236 121.223 -0.000 0.000 2.093 453 L HA 0.052 4.392 4.340 0.000 0.000 0.208 453 L C 2.047 178.917 176.870 -0.000 0.000 1.085 453 L CA 1.392 56.232 54.840 -0.001 0.000 0.755 453 L CB -0.769 41.290 42.059 -0.001 0.000 0.904 453 L HN 0.101 nan 8.230 nan 0.000 0.435 454 A N -0.627 122.193 122.820 0.000 0.000 2.014 454 A HA 0.063 4.383 4.320 0.000 0.000 0.218 454 A C 2.409 179.993 177.584 0.000 0.000 1.163 454 A CA 1.357 53.395 52.037 0.001 0.000 0.652 454 A CB -0.894 18.107 19.000 0.001 0.000 0.808 454 A HN 0.561 nan 8.150 nan 0.000 0.449 455 A N -0.510 122.310 122.820 -0.000 0.000 1.854 455 A HA 0.047 4.367 4.320 0.000 0.000 0.214 455 A C 2.198 179.781 177.584 -0.002 0.000 1.192 455 A CA 1.574 53.611 52.037 -0.001 0.000 0.611 455 A CB -0.980 18.019 19.000 -0.002 0.000 0.832 455 A HN 0.323 nan 8.150 nan 0.000 0.442 456 V N 1.254 121.167 119.914 -0.001 0.000 2.287 456 V HA -0.298 3.822 4.120 0.000 0.000 0.248 456 V C 2.542 178.635 176.094 -0.001 0.000 1.053 456 V CA 2.507 64.806 62.300 -0.002 0.000 1.027 456 V CB -1.048 30.775 31.823 -0.001 0.000 0.646 456 V HN 0.773 nan 8.190 nan 0.000 0.447 457 N N 0.333 119.033 118.700 0.001 0.000 2.166 457 N HA -0.216 4.524 4.740 0.000 0.000 0.186 457 N C 1.837 177.349 175.510 0.003 0.000 1.019 457 N CA 1.904 54.955 53.050 0.002 0.000 0.856 457 N CB -0.300 38.188 38.487 0.002 0.000 0.993 457 N HN 0.505 nan 8.380 nan 0.000 0.426 458 K N -0.386 120.016 120.400 0.002 0.000 2.057 458 K HA -0.064 4.256 4.320 0.000 0.000 0.207 458 K C 2.084 178.685 176.600 0.002 0.000 1.049 458 K CA 1.342 57.630 56.287 0.003 0.000 0.931 458 K CB -0.433 32.067 32.500 0.001 0.000 0.714 458 K HN 0.123 nan 8.250 nan 0.000 0.440 459 S N 0.684 116.383 115.700 -0.002 0.000 2.382 459 S HA -0.142 4.328 4.470 0.000 0.000 0.228 459 S C 1.857 176.455 174.600 -0.003 0.000 1.027 459 S CA 1.223 59.419 58.200 -0.006 0.000 0.991 459 S CB -0.256 62.939 63.200 -0.009 0.000 0.823 459 S HN 0.400 nan 8.310 nan 0.000 0.469 460 L N 1.858 123.081 121.223 0.001 0.000 2.156 460 L HA 0.059 4.399 4.340 0.000 0.000 0.208 460 L C 2.372 179.250 176.870 0.013 0.000 1.095 460 L CA 2.236 57.080 54.840 0.006 0.000 0.770 460 L CB -0.860 41.203 42.059 0.006 0.000 0.914 460 L HN 0.479 nan 8.230 nan 0.000 0.439 461 S N -1.498 114.210 115.700 0.013 0.000 2.383 461 S HA -0.162 4.308 4.470 0.000 0.000 0.227 461 S C 1.678 176.294 174.600 0.027 0.000 1.026 461 S CA 1.020 59.231 58.200 0.018 0.000 0.981 461 S CB -0.679 62.530 63.200 0.014 0.000 0.818 461 S HN 0.516 nan 8.310 nan 0.000 0.472 462 D N 2.550 122.964 120.400 0.022 0.000 2.084 462 D HA 0.014 4.654 4.640 0.000 0.000 0.194 462 D C 2.417 178.752 176.300 0.058 0.000 0.990 462 D CA 1.552 55.571 54.000 0.031 0.000 0.826 462 D CB -0.877 39.927 40.800 0.008 0.000 0.971 462 D HN 0.548 nan 8.370 nan 0.000 0.453 463 A N 1.180 124.023 122.820 0.038 0.000 1.892 463 A HA -0.178 4.142 4.320 0.000 0.000 0.218 463 A C 2.441 180.082 177.584 0.095 0.000 1.188 463 A CA 1.170 53.245 52.037 0.064 0.000 0.631 463 A CB -0.976 18.041 19.000 0.029 0.000 0.822 463 A HN 0.230 nan 8.150 nan 0.000 0.447 464 L N -0.559 120.699 121.223 0.058 0.000 2.191 464 L HA -0.238 4.102 4.340 0.000 0.000 0.212 464 L C 2.938 179.840 176.870 0.053 0.000 1.103 464 L CA 1.745 56.614 54.840 0.048 0.000 0.769 464 L CB -0.433 41.645 42.059 0.031 0.000 0.908 464 L HN 0.693 nan 8.230 nan 0.000 0.438 465 Q N -0.097 119.742 119.800 0.066 0.000 2.033 465 Q HA -0.267 4.073 4.340 0.000 0.000 0.196 465 Q C 2.183 178.233 176.000 0.083 0.000 0.970 465 Q CA 1.684 57.526 55.803 0.064 0.000 0.828 465 Q CB -0.268 28.508 28.738 0.063 0.000 0.895 465 Q HN 0.508 nan 8.270 nan 0.000 0.440 466 H N 0.696 119.775 119.070 0.015 0.000 2.431 466 H HA -0.122 4.434 4.556 0.000 0.000 0.297 466 H C 1.978 177.315 175.328 0.014 0.000 1.115 466 H CA 2.041 58.095 56.048 0.010 0.000 1.277 466 H CB -0.224 29.534 29.762 -0.007 0.000 1.372 466 H HN 0.264 nan 8.280 nan 0.000 0.516 467 L N -0.742 120.488 121.223 0.012 0.000 2.156 467 L HA -0.059 4.281 4.340 0.000 0.000 0.208 467 L C 2.766 179.613 176.870 -0.038 0.000 1.095 467 L CA 0.773 55.593 54.840 -0.034 0.000 0.770 467 L CB -0.494 41.582 42.059 0.028 0.000 0.914 467 L HN 0.459 nan 8.230 nan 0.000 0.439 468 A N 0.419 123.234 122.820 -0.008 0.000 1.873 468 A HA -0.242 4.078 4.320 0.000 0.000 0.215 468 A C 2.237 179.828 177.584 0.012 0.000 1.186 468 A CA 1.576 53.616 52.037 0.005 0.000 0.616 468 A CB -0.490 18.519 19.000 0.015 0.000 0.823 468 A HN 0.587 nan 8.150 nan 0.000 0.442 469 Q N -0.940 118.868 119.800 0.014 0.000 2.016 469 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 469 Q C 2.113 178.214 176.000 0.168 0.000 0.978 469 Q CA 2.039 57.898 55.803 0.094 0.000 0.833 469 Q CB -0.739 28.077 28.738 0.131 0.000 0.895 469 Q HN 0.418 nan 8.270 nan 0.000 0.427 470 S N 0.912 116.581 115.700 -0.053 0.000 2.407 470 S HA -0.244 4.226 4.470 0.000 0.000 0.235 470 S C 1.684 176.325 174.600 0.068 0.000 1.036 470 S CA 1.747 59.889 58.200 -0.097 0.000 1.013 470 S CB -0.714 62.308 63.200 -0.297 0.000 0.820 470 S HN 0.551 nan 8.310 nan 0.000 0.476 471 D N -0.615 119.808 120.400 0.038 0.000 2.378 471 D HA 0.000 4.640 4.640 0.000 0.000 0.227 471 D C 1.436 177.763 176.300 0.045 0.000 1.012 471 D CA 0.706 54.727 54.000 0.035 0.000 0.905 471 D CB 0.061 40.869 40.800 0.013 0.000 0.895 471 D HN 0.415 nan 8.370 nan 0.000 0.532 472 T N -1.156 113.444 114.554 0.076 0.000 3.021 472 T HA -0.038 4.312 4.350 0.000 0.000 0.245 472 T C 1.257 175.927 174.700 -0.051 0.000 1.028 472 T CA 0.188 62.273 62.100 -0.025 0.000 1.139 472 T CB -0.012 68.782 68.868 -0.122 0.000 0.884 472 T HN 0.137 nan 8.240 nan 0.000 0.457 473 Y N 1.305 121.581 120.300 -0.040 0.000 2.574 473 Y HA 0.169 4.719 4.550 0.000 0.000 0.294 473 Y C 1.922 177.808 175.900 -0.024 0.000 1.142 473 Y CA 0.236 58.318 58.100 -0.030 0.000 1.314 473 Y CB -0.532 37.907 38.460 -0.036 0.000 0.991 473 Y HN 0.189 nan 8.280 nan 0.000 0.555 474 L N -2.036 119.260 121.223 0.121 0.000 2.202 474 L HA -0.101 4.239 4.340 0.000 0.000 0.205 474 L C 2.481 179.368 176.870 0.029 0.000 1.083 474 L CA 0.890 55.767 54.840 0.062 0.000 0.790 474 L CB -0.382 41.703 42.059 0.044 0.000 0.942 474 L HN 0.071 nan 8.230 nan 0.000 0.452 475 S N -0.328 115.379 115.700 0.012 0.000 2.428 475 S HA -0.065 4.405 4.470 0.000 0.000 0.230 475 S C 2.020 176.613 174.600 -0.012 0.000 1.014 475 S CA 1.047 59.243 58.200 -0.006 0.000 0.957 475 S CB 0.084 63.273 63.200 -0.019 0.000 0.784 475 S HN 0.431 nan 8.310 nan 0.000 0.499 476 A N 1.731 124.541 122.820 -0.017 0.000 1.897 476 A HA 0.062 4.382 4.320 0.000 0.000 0.215 476 A C 1.964 179.549 177.584 0.002 0.000 1.181 476 A CA 0.976 53.001 52.037 -0.021 0.000 0.620 476 A CB -0.499 18.476 19.000 -0.042 0.000 0.821 476 A HN 0.527 nan 8.150 nan 0.000 0.443 477 I N 0.304 120.885 120.570 0.018 0.000 2.179 477 I HA -0.222 3.948 4.170 0.000 0.000 0.242 477 I C 2.970 179.095 176.117 0.013 0.000 1.088 477 I CA 1.871 63.184 61.300 0.022 0.000 1.357 477 I CB -1.827 36.191 38.000 0.031 0.000 1.051 477 I HN 0.574 nan 8.210 nan 0.000 0.409 478 E N 1.019 121.225 120.200 0.009 0.000 2.171 478 E HA -0.260 4.090 4.350 0.000 0.000 0.197 478 E C 1.747 178.348 176.600 0.002 0.000 0.997 478 E CA 1.897 58.300 56.400 0.005 0.000 0.810 478 E CB -0.706 28.995 29.700 0.002 0.000 0.738 478 E HN 0.548 nan 8.360 nan 0.000 0.467 479 D N -0.300 120.101 120.400 0.000 0.000 2.107 479 D HA -0.016 4.624 4.640 0.000 0.000 0.204 479 D C 2.435 178.737 176.300 0.004 0.000 0.978 479 D CA 2.293 56.292 54.000 -0.001 0.000 0.852 479 D CB -0.471 40.325 40.800 -0.007 0.000 1.008 479 D HN 0.518 nan 8.370 nan 0.000 0.458 480 K N 1.095 121.499 120.400 0.006 0.000 2.442 480 K HA -0.097 4.223 4.320 0.000 0.000 0.199 480 K C 1.807 178.416 176.600 0.014 0.000 1.044 480 K CA 0.710 57.003 56.287 0.011 0.000 0.941 480 K CB -0.646 31.861 32.500 0.012 0.000 0.759 480 K HN 0.139 nan 8.250 nan 0.000 0.472 481 I N 0.439 121.016 120.570 0.012 0.000 2.867 481 I HA -0.006 4.164 4.170 0.000 0.000 0.265 481 I C 2.107 178.232 176.117 0.012 0.000 1.162 481 I CA 0.802 62.110 61.300 0.013 0.000 1.471 481 I CB -0.288 37.718 38.000 0.010 0.000 1.123 481 I HN 0.471 nan 8.210 nan 0.000 0.440 482 E N 0.513 120.718 120.200 0.009 0.000 2.208 482 E HA -0.201 4.149 4.350 0.000 0.000 0.193 482 E C 1.870 178.481 176.600 0.018 0.000 0.988 482 E CA 0.598 57.001 56.400 0.006 0.000 0.828 482 E CB 0.240 29.940 29.700 -0.000 0.000 0.763 482 E HN 0.426 nan 8.360 nan 0.000 0.478 483 E N 0.777 120.990 120.200 0.021 0.000 2.028 483 E HA -0.168 4.182 4.350 0.000 0.000 0.191 483 E C 2.134 178.761 176.600 0.045 0.000 0.988 483 E CA 0.701 57.120 56.400 0.032 0.000 0.799 483 E CB 0.036 29.750 29.700 0.023 0.000 0.755 483 E HN 0.181 nan 8.360 nan 0.000 0.447 484 I N 1.230 121.822 120.570 0.037 0.000 2.127 484 I HA -0.331 3.839 4.170 0.000 0.000 0.241 484 I C 2.480 178.629 176.117 0.053 0.000 1.075 484 I CA 1.079 62.404 61.300 0.042 0.000 1.334 484 I CB -0.314 37.705 38.000 0.031 0.000 1.040 484 I HN 0.217 nan 8.210 nan 0.000 0.405 485 L N -0.141 121.107 121.223 0.042 0.000 2.261 485 L HA -0.213 4.127 4.340 0.000 0.000 0.216 485 L C 2.503 179.413 176.870 0.067 0.000 1.114 485 L CA 0.974 55.840 54.840 0.043 0.000 0.777 485 L CB -0.502 41.566 42.059 0.014 0.000 0.910 485 L HN 0.241 nan 8.230 nan 0.000 0.440 486 S N -0.476 115.273 115.700 0.083 0.000 2.355 486 S HA -0.091 4.379 4.470 0.000 0.000 0.216 486 S C 2.478 177.229 174.600 0.253 0.000 1.037 486 S CA 1.198 59.486 58.200 0.147 0.000 0.955 486 S CB -0.117 63.172 63.200 0.148 0.000 0.877 486 S HN 0.439 nan 8.310 nan 0.000 0.488 487 K N 1.670 122.185 120.400 0.193 0.000 2.160 487 K HA -0.039 4.281 4.320 0.000 0.000 0.206 487 K C 1.711 178.402 176.600 0.150 0.000 1.047 487 K CA 1.550 57.944 56.287 0.178 0.000 0.930 487 K CB -1.155 31.403 32.500 0.097 0.000 0.720 487 K HN 0.322 nan 8.250 nan 0.000 0.450 488 I N -0.641 119.999 120.570 0.117 0.000 2.353 488 I HA -0.116 4.054 4.170 0.000 0.000 0.248 488 I C 2.402 178.565 176.117 0.076 0.000 1.119 488 I CA 1.047 62.396 61.300 0.082 0.000 1.417 488 I CB -0.871 37.170 38.000 0.068 0.000 1.078 488 I HN 0.500 nan 8.210 nan 0.000 0.421 489 Y N 1.512 121.780 120.300 -0.053 0.000 2.293 489 Y HA -0.213 4.337 4.550 0.000 0.000 0.291 489 Y C 2.820 178.587 175.900 -0.223 0.000 1.137 489 Y CA 1.748 59.755 58.100 -0.156 0.000 1.202 489 Y CB -0.187 38.129 38.460 -0.241 0.000 0.990 489 Y HN 0.235 nan 8.280 nan 0.000 0.537 490 H N -0.839 118.258 119.070 0.046 0.000 2.384 490 H HA -0.000 4.556 4.556 0.000 0.000 0.300 490 H C 2.436 177.727 175.328 -0.061 0.000 1.057 490 H CA 1.630 57.661 56.048 -0.028 0.000 1.370 490 H CB -0.174 29.616 29.762 0.046 0.000 1.417 490 H HN 0.358 nan 8.280 nan 0.000 0.527 491 I N 1.087 121.704 120.570 0.078 0.000 2.423 491 I HA -0.232 3.938 4.170 0.000 0.000 0.254 491 I C 2.081 178.182 176.117 -0.027 0.000 1.151 491 I CA 1.240 62.557 61.300 0.028 0.000 1.421 491 I CB -0.130 37.888 38.000 0.031 0.000 1.079 491 I HN 0.286 nan 8.210 nan 0.000 0.431 492 E N 0.509 120.660 120.200 -0.082 0.000 2.107 492 E HA -0.140 4.210 4.350 0.000 0.000 0.191 492 E C 1.849 178.357 176.600 -0.153 0.000 0.982 492 E CA 0.723 57.049 56.400 -0.123 0.000 0.809 492 E CB 0.024 29.622 29.700 -0.169 0.000 0.756 492 E HN 0.502 nan 8.360 nan 0.000 0.459 493 N N 0.944 119.519 118.700 -0.208 0.000 2.171 493 N HA -0.153 4.587 4.740 0.000 0.000 0.184 493 N C 1.779 177.246 175.510 -0.073 0.000 1.021 493 N CA 0.828 53.776 53.050 -0.170 0.000 0.854 493 N CB -0.110 38.260 38.487 -0.196 0.000 0.994 493 N HN 0.072 nan 8.380 nan 0.000 0.426 494 E N 1.257 121.435 120.200 -0.036 0.000 2.204 494 E HA 0.009 4.359 4.350 0.000 0.000 0.195 494 E C 1.874 178.463 176.600 -0.019 0.000 0.990 494 E CA 0.646 57.039 56.400 -0.011 0.000 0.821 494 E CB -0.162 29.544 29.700 0.009 0.000 0.750 494 E HN 0.367 nan 8.360 nan 0.000 0.477 495 I N -0.406 120.146 120.570 -0.029 0.000 2.277 495 I HA -0.112 4.058 4.170 0.000 0.000 0.243 495 I C 2.168 178.268 176.117 -0.028 0.000 1.094 495 I CA 0.845 62.130 61.300 -0.025 0.000 1.393 495 I CB -0.258 37.726 38.000 -0.026 0.000 1.078 495 I HN 0.134 nan 8.210 nan 0.000 0.417 496 A N 0.655 123.451 122.820 -0.041 0.000 2.067 496 A HA -0.190 4.130 4.320 0.000 0.000 0.219 496 A C 2.400 179.966 177.584 -0.030 0.000 1.158 496 A CA 1.238 53.252 52.037 -0.038 0.000 0.661 496 A CB -0.556 18.412 19.000 -0.052 0.000 0.801 496 A HN 0.359 nan 8.150 nan 0.000 0.452 497 R N -0.221 120.262 120.500 -0.028 0.000 2.062 497 R HA 0.074 4.414 4.340 0.000 0.000 0.226 497 R C 1.732 178.024 176.300 -0.014 0.000 1.125 497 R CA 1.298 57.387 56.100 -0.019 0.000 0.966 497 R CB -0.297 29.994 30.300 -0.016 0.000 0.861 497 R HN 0.476 nan 8.270 nan 0.000 0.433 498 I N 1.008 121.570 120.570 -0.013 0.000 2.614 498 I HA -0.207 3.963 4.170 0.000 0.000 0.258 498 I C 2.422 178.533 176.117 -0.010 0.000 1.189 498 I CA 1.052 62.346 61.300 -0.010 0.000 1.462 498 I CB -0.090 37.905 38.000 -0.008 0.000 1.092 498 I HN 0.253 nan 8.210 nan 0.000 0.442 499 K N 1.343 121.736 120.400 -0.013 0.000 2.137 499 K HA -0.117 4.203 4.320 0.000 0.000 0.202 499 K C 2.380 178.973 176.600 -0.011 0.000 1.052 499 K CA 1.269 57.549 56.287 -0.012 0.000 0.961 499 K CB 0.040 32.531 32.500 -0.015 0.000 0.741 499 K HN 0.153 nan 8.250 nan 0.000 0.452 500 K N 0.601 120.994 120.400 -0.012 0.000 2.439 500 K HA -0.027 4.293 4.320 0.000 0.000 0.197 500 K C 1.572 178.168 176.600 -0.007 0.000 1.041 500 K CA 0.975 57.256 56.287 -0.010 0.000 0.970 500 K CB -0.419 32.074 32.500 -0.011 0.000 0.773 500 K HN 0.151 nan 8.250 nan 0.000 0.479 501 L N 0.142 121.360 121.223 -0.007 0.000 2.591 501 L HA 0.312 4.652 4.340 0.000 0.000 0.228 501 L C 0.099 176.966 176.870 -0.005 0.000 1.133 501 L CA 0.420 55.257 54.840 -0.005 0.000 0.880 501 L CB 0.165 42.221 42.059 -0.005 0.000 1.033 501 L HN 0.265 nan 8.230 nan 0.000 0.450 502 I N 0.000 120.567 120.570 -0.005 0.000 2.984 502 I HA 0.000 4.170 4.170 0.000 0.000 0.288 502 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 502 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 502 I HN 0.000 nan 8.210 nan 0.000 0.494