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 1jgt_1_A DATA FIRST_RESID 4 DATA SEQUENCE PVLPAAFGFL ASARTGGXXX XGPVFATRGS HTDIDTPQGE RSLAATLVHA DATA SEQUENCE PSVAPDRAVA RSLTGAPTTA VLAGEIYNRD ELLSVLPAGP APEGDAELVL DATA SEQUENCE RLLERYDLHA FRLVNGRFAT VVRTGDRVLL ATDHAGSVPL YTCVAPGEVR DATA SEQUENCE ASTEAKALAA HXXPKGFPLA DARRVAGLTG VYQVPAGAVM DIDLGSGTAV DATA SEQUENCE THRTWTPGLS RRILPEGEAV AAVRAALEKA VAQRVTPGDT PLVVLSGGID DATA SEQUENCE SSGVAACAHR AAGELDTVSM GTDTSNEFRE ARAVVDHLRT RHREITIPTT DATA SEQUENCE ELLAQLPYAV WASESVDPDI IEYLLPLTAL YRALDGPERR ILTGYGADIP DATA SEQUENCE LGGMHREDRL PALDTVLAHD MATFDGLNEM SPVLSTLAGH WTTHPYWDRE DATA SEQUENCE VLDLLVSLEA GLKRRHGRDK WVLRAAMADA LPAETVNRPK LXXXXXXXXX DATA SEQUENCE SSFSRLLLDH GVAEDRVHEA KRQVVRELFD LTVGGGRHPS EVDTDDVVRS DATA SEQUENCE VADRT 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.281 177.300 -0.031 0.000 1.155 4 P CA 0.000 63.074 63.100 -0.044 0.000 0.800 4 P CB 0.000 31.652 31.700 -0.079 0.000 0.726 5 V N 0.783 120.691 119.914 -0.011 0.000 2.788 5 V HA 0.027 4.147 4.120 -0.000 0.000 0.251 5 V C 1.131 177.232 176.094 0.011 0.000 1.068 5 V CA 1.046 63.360 62.300 0.023 0.000 1.090 5 V CB -0.406 31.449 31.823 0.054 0.000 0.710 5 V HN 0.378 nan 8.190 nan 0.000 0.467 6 L N -0.216 120.976 121.223 -0.052 0.000 2.333 6 L HA 0.500 4.840 4.340 -0.000 0.000 0.269 6 L C -2.505 174.171 176.870 -0.323 0.000 1.010 6 L CA -2.089 52.663 54.840 -0.147 0.000 0.818 6 L CB 1.339 43.364 42.059 -0.056 0.000 1.306 6 L HN -0.062 nan 8.230 nan 0.000 0.430 7 P HA -0.005 nan 4.420 nan 0.000 0.268 7 P C 0.109 177.133 177.300 -0.461 0.000 1.208 7 P CA -0.018 62.743 63.100 -0.566 0.000 0.777 7 P CB 0.705 31.875 31.700 -0.885 0.000 0.875 8 A N 1.662 124.283 122.820 -0.332 0.000 2.019 8 A HA 0.237 4.557 4.320 -0.000 0.000 0.219 8 A C 0.974 178.368 177.584 -0.316 0.000 1.164 8 A CA 1.843 53.704 52.037 -0.293 0.000 0.644 8 A CB -0.703 18.166 19.000 -0.218 0.000 0.805 8 A HN 0.652 nan 8.150 nan 0.000 0.449 9 A N -2.598 120.046 122.820 -0.294 0.000 2.520 9 A HA 0.647 4.967 4.320 -0.000 0.000 0.298 9 A C -0.185 177.308 177.584 -0.152 0.000 1.051 9 A CA -0.572 51.350 52.037 -0.192 0.000 0.690 9 A CB 0.341 19.328 19.000 -0.022 0.000 1.281 9 A HN 0.080 nan 8.150 nan 0.000 0.402 10 F N 1.324 121.257 119.950 -0.029 0.000 2.446 10 F HA 0.428 4.955 4.527 -0.000 0.000 0.292 10 F C 1.609 177.361 175.800 -0.080 0.000 1.096 10 F CA 0.726 58.713 58.000 -0.023 0.000 1.438 10 F CB 0.126 39.131 39.000 0.009 0.000 1.107 10 F HN 0.875 nan 8.300 nan 0.000 0.546 11 G N -1.332 107.475 108.800 0.011 0.000 2.554 11 G HA2 0.515 4.475 3.960 -0.000 0.000 0.306 11 G HA3 0.515 4.475 3.960 -0.000 0.000 0.306 11 G C -1.890 172.874 174.900 -0.227 0.000 1.320 11 G CA -0.371 44.558 45.100 -0.285 0.000 0.800 11 G HN 0.028 nan 8.290 nan 0.000 0.481 12 F N -2.162 117.612 119.950 -0.293 0.000 2.807 12 F HA 0.788 5.315 4.527 -0.000 0.000 0.316 12 F C -2.206 173.667 175.800 0.121 0.000 1.162 12 F CA -1.533 56.414 58.000 -0.088 0.000 0.910 12 F CB 1.681 40.679 39.000 -0.003 0.000 1.314 12 F HN 0.705 nan 8.300 nan 0.000 0.454 13 L N 2.442 124.040 121.223 0.625 0.000 2.446 13 L HA 0.901 5.241 4.340 -0.000 0.000 0.268 13 L C -1.421 175.669 176.870 0.366 0.000 0.975 13 L CA -0.270 54.862 54.840 0.486 0.000 0.848 13 L CB 0.770 43.058 42.059 0.381 0.000 1.225 13 L HN 1.267 nan 8.230 nan 0.000 0.410 14 A N 3.700 126.721 122.820 0.336 0.000 2.430 14 A HA 0.970 5.290 4.320 -0.000 0.000 0.300 14 A C -0.666 176.986 177.584 0.113 0.000 1.124 14 A CA -0.075 52.053 52.037 0.152 0.000 0.766 14 A CB 1.927 20.935 19.000 0.013 0.000 1.328 14 A HN 0.953 nan 8.150 nan 0.000 0.424 15 S N -1.182 114.553 115.700 0.059 0.000 2.565 15 S HA 0.842 5.312 4.470 -0.000 0.000 0.269 15 S C -0.893 173.720 174.600 0.021 0.000 1.153 15 S CA -0.092 58.136 58.200 0.047 0.000 0.835 15 S CB 1.421 64.650 63.200 0.049 0.000 1.122 15 S HN 2.411 nan 8.310 nan 0.000 0.462 16 A N 1.489 124.319 122.820 0.016 0.000 2.442 16 A HA 0.848 5.168 4.320 -0.000 0.000 0.284 16 A C -0.020 177.564 177.584 0.000 0.000 1.058 16 A CA -0.714 51.326 52.037 0.004 0.000 0.738 16 A CB 0.929 19.929 19.000 -0.000 0.000 1.242 16 A HN 1.176 nan 8.150 nan 0.000 0.421 17 R N 0.469 120.968 120.500 -0.001 0.000 3.161 17 R HA 0.531 4.871 4.340 -0.000 0.000 0.104 17 R C 0.893 177.189 176.300 -0.007 0.000 1.197 17 R CA 0.539 56.636 56.100 -0.006 0.000 0.965 17 R CB 0.043 30.342 30.300 -0.001 0.000 0.892 17 R HN 0.737 nan 8.270 nan 0.000 0.388 18 T N -4.358 110.195 114.554 -0.002 0.000 3.434 18 T HA 0.364 4.714 4.350 -0.000 0.000 0.279 18 T C 0.921 175.622 174.700 0.001 0.000 0.955 18 T CA 0.413 62.512 62.100 -0.002 0.000 1.048 18 T CB 1.178 70.045 68.868 -0.003 0.000 1.186 18 T HN 0.721 nan 8.240 nan 0.000 0.485 19 G N 0.831 109.633 108.800 0.004 0.000 4.154 19 G HA2 0.447 4.407 3.960 -0.000 0.000 0.228 19 G HA3 0.447 4.407 3.960 -0.000 0.000 0.228 19 G C 0.233 175.138 174.900 0.009 0.000 2.157 19 G CA -0.015 45.089 45.100 0.006 0.000 1.088 19 G HN 0.745 nan 8.290 nan 0.000 0.506 26 P HA 0.671 nan 4.420 nan 0.000 0.279 26 P C -1.136 175.932 177.300 -0.387 0.000 1.252 26 P CA -0.435 62.455 63.100 -0.351 0.000 0.811 26 P CB 1.909 33.228 31.700 -0.636 0.000 1.035 27 V N 1.976 121.643 119.914 -0.412 0.000 2.407 27 V HA 0.317 4.437 4.120 -0.000 0.000 0.291 27 V C -0.361 175.595 176.094 -0.230 0.000 1.018 27 V CA -0.367 61.815 62.300 -0.198 0.000 0.842 27 V CB 0.654 32.465 31.823 -0.019 0.000 0.996 27 V HN 0.397 nan 8.190 nan 0.000 0.426 28 F N 1.768 121.792 119.950 0.124 0.000 2.497 28 F HA 0.717 5.243 4.527 -0.000 0.000 0.331 28 F C 1.224 176.960 175.800 -0.107 0.000 1.060 28 F CA -0.557 57.432 58.000 -0.019 0.000 0.989 28 F CB 1.686 40.686 39.000 -0.000 0.000 1.245 28 F HN 0.462 nan 8.300 nan 0.000 0.486 29 A N -0.259 122.405 122.820 -0.261 0.000 2.021 29 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 29 A C 0.945 178.333 177.584 -0.328 0.000 1.163 29 A CA 0.554 52.002 52.037 -0.982 0.000 0.676 29 A CB -0.877 17.087 19.000 -1.726 0.000 0.818 29 A HN 0.655 nan 8.150 nan 0.000 0.453 30 T N 1.368 115.839 114.554 -0.139 0.000 2.902 30 T HA 0.220 4.569 4.350 -0.000 0.000 0.301 30 T C 0.298 175.065 174.700 0.112 0.000 1.012 30 T CA 0.016 62.081 62.100 -0.057 0.000 1.151 30 T CB 0.291 69.103 68.868 -0.094 0.000 0.946 30 T HN 0.449 nan 8.240 nan 0.000 0.542 31 R N 1.748 122.303 120.500 0.092 0.000 2.297 31 R HA 0.594 4.934 4.340 -0.000 0.000 0.308 31 R C 0.193 176.611 176.300 0.197 0.000 1.029 31 R CA -0.071 56.119 56.100 0.150 0.000 0.929 31 R CB 0.387 30.749 30.300 0.104 0.000 1.046 31 R HN 0.903 nan 8.270 nan 0.000 0.461 32 G N 1.319 110.226 108.800 0.179 0.000 2.359 32 G HA2 0.003 3.963 3.960 -0.000 0.000 0.293 32 G HA3 0.003 3.963 3.960 -0.000 0.000 0.293 32 G C -1.459 173.477 174.900 0.059 0.000 1.300 32 G CA -0.864 44.319 45.100 0.138 0.000 0.888 32 G HN 0.562 nan 8.290 nan 0.000 0.541 33 S N -0.400 115.220 115.700 -0.132 0.000 2.603 33 S HA 0.562 5.032 4.470 -0.000 0.000 0.268 33 S C -0.277 174.249 174.600 -0.123 0.000 1.317 33 S CA -0.205 57.865 58.200 -0.217 0.000 1.012 33 S CB 0.550 63.523 63.200 -0.377 0.000 0.926 33 S HN 0.529 nan 8.310 nan 0.000 0.539 34 H N -0.039 118.943 119.070 -0.148 0.000 2.538 34 H HA 0.496 5.052 4.556 -0.000 0.000 0.353 34 H C -0.824 174.568 175.328 0.107 0.000 1.109 34 H CA -0.685 55.374 56.048 0.019 0.000 1.192 34 H CB 1.794 31.604 29.762 0.080 0.000 1.555 34 H HN 0.433 nan 8.280 nan 0.000 0.518 35 T N 2.840 117.567 114.554 0.289 0.000 3.011 35 T HA 0.087 4.437 4.350 -0.000 0.000 0.303 35 T C -0.951 173.840 174.700 0.151 0.000 0.997 35 T CA -0.868 61.373 62.100 0.236 0.000 1.007 35 T CB 1.454 70.491 68.868 0.281 0.000 1.017 35 T HN 0.481 nan 8.240 nan 0.000 0.443 36 D N 3.030 123.496 120.400 0.111 0.000 2.277 36 D HA 0.360 5.000 4.640 -0.000 0.000 0.249 36 D C 0.855 177.183 176.300 0.047 0.000 1.134 36 D CA -0.524 53.522 54.000 0.077 0.000 0.863 36 D CB 0.696 41.536 40.800 0.067 0.000 1.143 36 D HN 0.592 nan 8.370 nan 0.000 0.458 37 I N -1.218 119.368 120.570 0.027 0.000 2.882 37 I HA 0.249 4.419 4.170 -0.000 0.000 0.286 37 I C 0.153 176.271 176.117 0.002 0.000 1.139 37 I CA -0.665 60.637 61.300 0.002 0.000 1.379 37 I CB 0.668 38.655 38.000 -0.022 0.000 1.410 37 I HN 0.024 nan 8.210 nan 0.000 0.594 38 D N 2.926 123.322 120.400 -0.006 0.000 2.400 38 D HA 0.142 4.782 4.640 -0.000 0.000 0.238 38 D C 0.237 176.532 176.300 -0.008 0.000 1.157 38 D CA 0.358 54.355 54.000 -0.005 0.000 0.889 38 D CB 1.022 41.816 40.800 -0.010 0.000 1.199 38 D HN 0.758 nan 8.370 nan 0.000 0.436 39 T N -1.386 113.165 114.554 -0.004 0.000 3.331 39 T HA 0.397 4.747 4.350 -0.000 0.000 0.381 39 T C -2.088 172.609 174.700 -0.006 0.000 1.656 39 T CA -1.502 60.595 62.100 -0.005 0.000 1.453 39 T CB 1.228 70.096 68.868 0.000 0.000 1.066 39 T HN -0.028 nan 8.240 nan 0.000 0.655 40 P HA -0.104 nan 4.420 nan 0.000 0.214 40 P C 1.278 178.573 177.300 -0.007 0.000 1.163 40 P CA 1.117 64.212 63.100 -0.009 0.000 0.883 40 P CB 0.067 31.760 31.700 -0.012 0.000 0.788 41 Q N -0.677 119.118 119.800 -0.008 0.000 2.491 41 Q HA 0.218 4.558 4.340 -0.000 0.000 0.214 41 Q C 1.335 177.332 176.000 -0.005 0.000 0.970 41 Q CA 0.759 56.558 55.803 -0.007 0.000 0.960 41 Q CB -0.885 27.849 28.738 -0.008 0.000 0.996 41 Q HN 0.260 nan 8.270 nan 0.000 0.524 42 G N 1.222 110.020 108.800 -0.003 0.000 2.591 42 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.298 42 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.298 42 G C 0.680 175.580 174.900 -0.000 0.000 1.195 42 G CA 0.353 45.452 45.100 -0.001 0.000 0.989 42 G HN 0.433 nan 8.290 nan 0.000 0.551 43 E N 1.367 121.568 120.200 0.001 0.000 2.274 43 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 43 E C 2.241 178.841 176.600 -0.000 0.000 0.996 43 E CA 1.089 57.490 56.400 0.002 0.000 0.840 43 E CB -0.097 29.605 29.700 0.003 0.000 0.772 43 E HN 0.634 nan 8.360 nan 0.000 0.491 44 R N 0.900 121.399 120.500 -0.002 0.000 2.480 44 R HA 0.165 4.505 4.340 -0.000 0.000 0.277 44 R C 0.308 176.604 176.300 -0.006 0.000 1.008 44 R CA -0.100 55.998 56.100 -0.004 0.000 1.090 44 R CB 0.191 30.489 30.300 -0.004 0.000 1.234 44 R HN -0.051 nan 8.270 nan 0.000 0.549 45 S N 0.136 115.832 115.700 -0.006 0.000 2.776 45 S HA 0.448 4.918 4.470 -0.000 0.000 0.306 45 S C -0.404 174.190 174.600 -0.011 0.000 1.114 45 S CA -1.062 57.132 58.200 -0.010 0.000 0.973 45 S CB 1.192 64.386 63.200 -0.011 0.000 1.250 45 S HN 0.183 nan 8.310 nan 0.000 0.549 46 L N 1.638 122.849 121.223 -0.018 0.000 2.255 46 L HA 0.726 5.066 4.340 -0.000 0.000 0.289 46 L C 0.026 176.883 176.870 -0.022 0.000 1.046 46 L CA -0.286 54.539 54.840 -0.024 0.000 0.816 46 L CB 0.129 42.162 42.059 -0.044 0.000 1.197 46 L HN 0.914 nan 8.230 nan 0.000 0.427 47 A N 4.568 127.383 122.820 -0.008 0.000 2.304 47 A HA 0.934 5.254 4.320 -0.000 0.000 0.301 47 A C -0.345 177.244 177.584 0.007 0.000 1.132 47 A CA 0.176 52.215 52.037 0.004 0.000 0.819 47 A CB 0.793 19.803 19.000 0.017 0.000 1.094 47 A HN 1.306 nan 8.150 nan 0.000 0.492 48 A N 0.961 123.791 122.820 0.017 0.000 2.594 48 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 48 A C -0.557 177.070 177.584 0.073 0.000 1.056 48 A CA -0.392 51.668 52.037 0.039 0.000 0.693 48 A CB 0.890 19.866 19.000 -0.039 0.000 1.278 48 A HN 0.890 nan 8.150 nan 0.000 0.408 49 T N 2.494 117.127 114.554 0.132 0.000 2.786 49 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 49 T C -0.422 174.389 174.700 0.185 0.000 0.992 49 T CA -0.167 62.014 62.100 0.135 0.000 0.954 49 T CB 0.366 69.302 68.868 0.113 0.000 0.934 49 T HN 0.467 nan 8.240 nan 0.000 0.440 50 L N 3.114 124.431 121.223 0.156 0.000 2.309 50 L HA 0.715 5.055 4.340 -0.000 0.000 0.282 50 L C -0.008 176.951 176.870 0.148 0.000 1.036 50 L CA -1.145 53.804 54.840 0.181 0.000 0.806 50 L CB 1.584 43.747 42.059 0.172 0.000 1.220 50 L HN 0.314 nan 8.230 nan 0.000 0.429 51 V N 3.333 123.274 119.914 0.045 0.000 2.417 51 V HA 0.594 4.714 4.120 -0.000 0.000 0.291 51 V C -0.794 175.344 176.094 0.073 0.000 1.024 51 V CA -0.031 62.277 62.300 0.014 0.000 0.861 51 V CB 1.236 33.026 31.823 -0.056 0.000 0.985 51 V HN 0.992 nan 8.190 nan 0.000 0.436 52 H N 4.039 123.121 119.070 0.020 0.000 2.960 52 H HA 0.856 5.412 4.556 -0.000 0.000 0.323 52 H C -0.362 174.865 175.328 -0.169 0.000 1.326 52 H CA -0.452 55.443 56.048 -0.256 0.000 1.124 52 H CB 1.302 30.902 29.762 -0.270 0.000 1.853 52 H HN 0.820 nan 8.280 nan 0.000 0.536 53 A N 0.953 123.616 122.820 -0.260 0.000 2.440 53 A HA 0.303 4.623 4.320 -0.000 0.000 0.251 53 A C -1.654 175.971 177.584 0.069 0.000 1.089 53 A CA -1.218 50.803 52.037 -0.026 0.000 0.779 53 A CB -0.297 18.675 19.000 -0.047 0.000 1.022 53 A HN 0.745 nan 8.150 nan 0.000 0.492 54 P HA -0.160 nan 4.420 nan 0.000 0.219 54 P C 1.361 178.705 177.300 0.073 0.000 1.146 54 P CA 1.929 65.064 63.100 0.059 0.000 0.808 54 P CB 0.140 31.863 31.700 0.039 0.000 0.779 55 S N -2.033 113.699 115.700 0.054 0.000 2.603 55 S HA 0.118 4.588 4.470 -0.000 0.000 0.220 55 S C 0.706 175.309 174.600 0.004 0.000 0.967 55 S CA -0.126 58.093 58.200 0.031 0.000 0.920 55 S CB -1.145 62.074 63.200 0.032 0.000 0.773 55 S HN 0.059 nan 8.310 nan 0.000 0.529 56 V N -2.102 117.812 119.914 0.000 0.000 2.864 56 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 56 V C -0.271 175.754 176.094 -0.115 0.000 1.073 56 V CA -1.172 61.084 62.300 -0.073 0.000 0.956 56 V CB 1.186 32.916 31.823 -0.154 0.000 1.023 56 V HN 0.301 nan 8.190 nan 0.000 0.435 57 A N 4.396 127.122 122.820 -0.156 0.000 2.320 57 A HA 0.743 5.062 4.320 -0.000 0.000 0.287 57 A C -1.127 176.267 177.584 -0.315 0.000 1.181 57 A CA -1.500 50.419 52.037 -0.197 0.000 0.831 57 A CB 0.529 19.454 19.000 -0.125 0.000 1.102 57 A HN 0.866 nan 8.150 nan 0.000 0.513 58 P HA -0.096 nan 4.420 nan 0.000 0.237 58 P C 0.323 177.474 177.300 -0.248 0.000 1.178 58 P CA 0.478 63.292 63.100 -0.477 0.000 0.766 58 P CB 0.271 31.590 31.700 -0.635 0.000 0.876 59 D N 1.407 121.693 120.400 -0.190 0.000 2.154 59 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 59 D C 1.843 178.072 176.300 -0.118 0.000 1.003 59 D CA 1.371 55.294 54.000 -0.128 0.000 0.849 59 D CB -0.336 40.402 40.800 -0.103 0.000 0.942 59 D HN 0.293 nan 8.370 nan 0.000 0.446 60 R N 0.368 120.792 120.500 -0.126 0.000 2.328 60 R HA 0.034 4.374 4.340 -0.000 0.000 0.207 60 R C 1.793 178.024 176.300 -0.114 0.000 1.056 60 R CA 0.622 56.654 56.100 -0.113 0.000 1.016 60 R CB 0.007 30.237 30.300 -0.116 0.000 0.872 60 R HN 0.079 nan 8.270 nan 0.000 0.471 61 A N 0.261 123.006 122.820 -0.125 0.000 2.275 61 A HA 0.170 4.490 4.320 -0.000 0.000 0.212 61 A C 0.329 177.857 177.584 -0.093 0.000 1.201 61 A CA 0.119 52.094 52.037 -0.104 0.000 0.843 61 A CB 0.712 19.646 19.000 -0.109 0.000 0.873 61 A HN 0.009 nan 8.150 nan 0.000 0.492 62 V N -0.283 119.574 119.914 -0.095 0.000 2.709 62 V HA 0.753 4.873 4.120 -0.000 0.000 0.308 62 V C -0.195 175.854 176.094 -0.075 0.000 1.062 62 V CA -0.276 61.971 62.300 -0.088 0.000 0.901 62 V CB 1.385 33.158 31.823 -0.084 0.000 1.003 62 V HN 0.460 nan 8.190 nan 0.000 0.425 63 A N 4.853 127.632 122.820 -0.068 0.000 2.475 63 A HA 0.983 5.303 4.320 -0.000 0.000 0.301 63 A C -0.724 176.830 177.584 -0.050 0.000 1.059 63 A CA -0.826 51.177 52.037 -0.058 0.000 0.710 63 A CB 1.945 20.911 19.000 -0.057 0.000 1.288 63 A HN 0.837 nan 8.150 nan 0.000 0.408 64 R N 0.069 120.543 120.500 -0.043 0.000 2.836 64 R HA 0.864 5.203 4.340 -0.000 0.000 0.269 64 R C -0.638 175.642 176.300 -0.033 0.000 1.010 64 R CA -0.240 55.838 56.100 -0.036 0.000 0.930 64 R CB 2.352 32.632 30.300 -0.034 0.000 1.218 64 R HN 1.174 nan 8.270 nan 0.000 0.473 65 S N -0.272 115.411 115.700 -0.028 0.000 2.656 65 S HA 0.330 4.800 4.470 -0.000 0.000 0.265 65 S C -0.836 173.751 174.600 -0.022 0.000 1.132 65 S CA -0.920 57.264 58.200 -0.026 0.000 0.819 65 S CB 0.827 64.010 63.200 -0.028 0.000 1.119 65 S HN 0.505 nan 8.310 nan 0.000 0.476 66 L N 0.730 121.941 121.223 -0.021 0.000 2.858 66 L HA 0.314 4.653 4.340 -0.000 0.000 0.251 66 L C 0.147 177.007 176.870 -0.017 0.000 1.149 66 L CA -0.119 54.710 54.840 -0.018 0.000 0.955 66 L CB 0.537 42.587 42.059 -0.017 0.000 1.289 66 L HN 0.759 nan 8.230 nan 0.000 0.542 67 T N 0.885 115.426 114.554 -0.020 0.000 2.765 67 T HA 0.273 4.623 4.350 -0.000 0.000 0.284 67 T C 1.253 175.943 174.700 -0.017 0.000 0.946 67 T CA 1.075 63.163 62.100 -0.021 0.000 1.185 67 T CB 0.764 69.616 68.868 -0.026 0.000 0.887 67 T HN 0.610 nan 8.240 nan 0.000 0.532 68 G N 2.575 111.365 108.800 -0.015 0.000 2.498 68 G HA2 0.005 3.965 3.960 -0.000 0.000 0.229 68 G HA3 0.005 3.965 3.960 -0.000 0.000 0.229 68 G C 0.214 175.109 174.900 -0.008 0.000 1.156 68 G CA -0.112 44.981 45.100 -0.011 0.000 0.680 68 G HN 1.584 nan 8.290 nan 0.000 0.512 69 A N -0.977 121.838 122.820 -0.009 0.000 2.522 69 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 69 A C -3.298 174.280 177.584 -0.010 0.000 1.039 69 A CA -0.052 51.980 52.037 -0.008 0.000 0.643 69 A CB 0.144 19.141 19.000 -0.005 0.000 1.310 69 A HN 0.356 nan 8.150 nan 0.000 0.436 70 P HA 0.302 nan 4.420 nan 0.000 0.262 70 P C -0.541 176.752 177.300 -0.012 0.000 1.199 70 P CA 0.900 63.993 63.100 -0.012 0.000 0.763 70 P CB 0.522 32.216 31.700 -0.011 0.000 0.790 71 T N 2.751 117.295 114.554 -0.015 0.000 2.861 71 T HA 0.566 4.916 4.350 -0.000 0.000 0.287 71 T C -0.461 174.225 174.700 -0.023 0.000 1.003 71 T CA -0.448 61.642 62.100 -0.016 0.000 0.977 71 T CB 1.291 70.151 68.868 -0.014 0.000 0.996 71 T HN 0.111 nan 8.240 nan 0.000 0.448 72 T N 2.145 116.684 114.554 -0.025 0.000 2.928 72 T HA 0.730 5.080 4.350 -0.000 0.000 0.296 72 T C -0.825 173.848 174.700 -0.046 0.000 1.000 72 T CA -0.638 61.439 62.100 -0.039 0.000 0.989 72 T CB 1.525 70.367 68.868 -0.043 0.000 1.005 72 T HN 0.792 nan 8.240 nan 0.000 0.442 73 A N 2.640 125.427 122.820 -0.055 0.000 2.355 73 A HA 0.863 5.183 4.320 -0.000 0.000 0.317 73 A C -0.855 176.665 177.584 -0.106 0.000 1.094 73 A CA -0.660 51.341 52.037 -0.060 0.000 0.764 73 A CB 1.232 20.215 19.000 -0.028 0.000 1.230 73 A HN 0.667 nan 8.150 nan 0.000 0.448 74 V N 2.906 122.717 119.914 -0.172 0.000 2.531 74 V HA 0.582 4.702 4.120 -0.000 0.000 0.301 74 V C -0.653 175.323 176.094 -0.197 0.000 1.034 74 V CA -0.392 61.747 62.300 -0.268 0.000 0.865 74 V CB 1.491 32.989 31.823 -0.542 0.000 0.995 74 V HN 0.838 nan 8.190 nan 0.000 0.424 75 L N 4.389 125.584 121.223 -0.046 0.000 2.409 75 L HA 0.933 5.273 4.340 -0.000 0.000 0.272 75 L C -0.135 176.858 176.870 0.205 0.000 0.980 75 L CA -0.338 54.581 54.840 0.132 0.000 0.826 75 L CB 1.744 43.846 42.059 0.071 0.000 1.268 75 L HN 0.730 nan 8.230 nan 0.000 0.407 76 A N 3.663 126.705 122.820 0.370 0.000 2.292 76 A HA 0.896 5.216 4.320 -0.000 0.000 0.319 76 A C 0.381 178.088 177.584 0.205 0.000 1.206 76 A CA 0.394 52.584 52.037 0.254 0.000 0.835 76 A CB 0.879 20.008 19.000 0.215 0.000 1.164 76 A HN 1.413 nan 8.150 nan 0.000 0.505 77 G N 1.501 110.337 108.800 0.060 0.000 2.451 77 G HA2 0.191 4.151 3.960 -0.000 0.000 0.208 77 G HA3 0.191 4.151 3.960 -0.000 0.000 0.208 77 G C -0.544 174.312 174.900 -0.073 0.000 1.248 77 G CA 0.056 45.184 45.100 0.047 0.000 0.989 77 G HN 1.685 nan 8.290 nan 0.000 0.559 78 E N -1.451 118.753 120.200 0.006 0.000 2.445 78 E HA 0.712 5.062 4.350 -0.000 0.000 0.279 78 E C -1.215 175.221 176.600 -0.274 0.000 1.018 78 E CA -1.185 55.122 56.400 -0.155 0.000 0.816 78 E CB 2.003 31.582 29.700 -0.201 0.000 1.356 78 E HN 0.700 nan 8.360 nan 0.000 0.462 79 I N 1.500 121.876 120.570 -0.323 0.000 2.441 79 I HA 0.232 4.402 4.170 -0.000 0.000 0.295 79 I C -0.415 175.516 176.117 -0.310 0.000 0.994 79 I CA -0.744 60.364 61.300 -0.319 0.000 1.144 79 I CB 1.007 38.872 38.000 -0.226 0.000 1.314 79 I HN 0.585 nan 8.210 nan 0.000 0.445 80 Y N 2.423 122.770 120.300 0.079 0.000 2.441 80 Y HA 0.004 4.554 4.550 -0.000 0.000 0.288 80 Y C 1.479 177.394 175.900 0.026 0.000 1.118 80 Y CA -0.035 58.100 58.100 0.059 0.000 1.215 80 Y CB -0.231 38.275 38.460 0.076 0.000 1.118 80 Y HN 0.570 nan 8.280 nan 0.000 0.547 81 N N 0.898 119.685 118.700 0.145 0.000 3.091 81 N HA 0.122 4.862 4.740 -0.000 0.000 0.301 81 N C 0.785 176.312 175.510 0.028 0.000 1.325 81 N CA -0.191 52.904 53.050 0.075 0.000 1.143 81 N CB 0.139 38.657 38.487 0.052 0.000 1.450 81 N HN 0.151 nan 8.380 nan 0.000 0.542 82 R N 0.455 120.970 120.500 0.025 0.000 2.073 82 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 82 R C 0.950 177.248 176.300 -0.004 0.000 1.134 82 R CA 1.616 57.712 56.100 -0.006 0.000 0.952 82 R CB -0.128 30.168 30.300 -0.008 0.000 0.850 82 R HN 0.441 nan 8.270 nan 0.000 0.433 83 D N 0.532 120.937 120.400 0.008 0.000 2.144 83 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 83 D C 1.767 178.069 176.300 0.003 0.000 0.984 83 D CA 1.264 55.267 54.000 0.005 0.000 0.834 83 D CB -0.064 40.741 40.800 0.009 0.000 0.955 83 D HN 0.213 nan 8.370 nan 0.000 0.465 84 E N 0.564 120.767 120.200 0.005 0.000 2.051 84 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 84 E C 2.367 178.965 176.600 -0.003 0.000 0.991 84 E CA 0.401 56.803 56.400 0.002 0.000 0.799 84 E CB -0.352 29.349 29.700 0.002 0.000 0.748 84 E HN 0.265 nan 8.360 nan 0.000 0.449 85 L N 0.081 121.296 121.223 -0.012 0.000 2.083 85 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 85 L C 2.256 179.124 176.870 -0.003 0.000 1.083 85 L CA 0.802 55.630 54.840 -0.020 0.000 0.752 85 L CB -0.371 41.661 42.059 -0.046 0.000 0.899 85 L HN 0.159 nan 8.230 nan 0.000 0.433 86 L N -0.432 120.787 121.223 -0.007 0.000 2.201 86 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 86 L C 2.803 179.676 176.870 0.005 0.000 1.105 86 L CA 1.279 56.116 54.840 -0.005 0.000 0.775 86 L CB -0.514 41.539 42.059 -0.010 0.000 0.913 86 L HN 0.393 nan 8.230 nan 0.000 0.440 87 S N -0.269 115.437 115.700 0.009 0.000 2.447 87 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 87 S C 1.562 176.178 174.600 0.027 0.000 1.006 87 S CA 0.902 59.110 58.200 0.014 0.000 0.957 87 S CB -0.459 62.749 63.200 0.012 0.000 0.773 87 S HN 0.342 nan 8.310 nan 0.000 0.507 88 V N -1.310 118.633 119.914 0.047 0.000 3.542 88 V HA 0.501 4.621 4.120 -0.000 0.000 0.296 88 V C 0.301 176.438 176.094 0.072 0.000 1.364 88 V CA -0.476 61.876 62.300 0.086 0.000 1.118 88 V CB -0.862 31.064 31.823 0.172 0.000 0.972 88 V HN 0.383 nan 8.190 nan 0.000 0.430 89 L N 1.068 122.312 121.223 0.036 0.000 2.360 89 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 89 L C -1.715 175.148 176.870 -0.011 0.000 1.057 89 L CA -1.719 53.124 54.840 0.006 0.000 0.803 89 L CB 1.082 43.141 42.059 0.000 0.000 1.207 89 L HN 0.125 nan 8.230 nan 0.000 0.445 90 P HA 0.360 nan 4.420 nan 0.000 0.297 90 P C 0.010 177.295 177.300 -0.024 0.000 1.303 90 P CA -0.055 63.028 63.100 -0.029 0.000 0.753 90 P CB 0.347 32.023 31.700 -0.041 0.000 1.281 91 A N -0.503 122.303 122.820 -0.023 0.000 5.649 91 A HA -0.077 4.243 4.320 -0.000 0.000 0.334 91 A C 1.327 178.900 177.584 -0.018 0.000 1.768 91 A CA 1.879 53.904 52.037 -0.021 0.000 0.782 91 A CB -2.007 16.979 19.000 -0.023 0.000 1.376 91 A HN 0.815 nan 8.150 nan 0.000 0.413 92 G N -2.163 106.626 108.800 -0.018 0.000 3.531 92 G HA2 0.447 4.407 3.960 -0.000 0.000 0.212 92 G HA3 0.447 4.407 3.960 -0.000 0.000 0.212 92 G C -1.535 173.353 174.900 -0.019 0.000 1.146 92 G CA 0.882 45.972 45.100 -0.017 0.000 0.916 92 G HN 1.031 nan 8.290 nan 0.000 0.637 93 P HA 0.427 nan 4.420 nan 0.000 0.266 93 P C 0.338 177.623 177.300 -0.026 0.000 1.419 93 P CA 0.176 63.262 63.100 -0.023 0.000 1.112 93 P CB 0.518 32.203 31.700 -0.024 0.000 1.438 94 A N 6.302 129.107 122.820 -0.025 0.000 2.565 94 A HA 0.248 4.568 4.320 -0.000 0.000 0.237 94 A C -1.737 175.827 177.584 -0.033 0.000 1.053 94 A CA -0.775 51.246 52.037 -0.027 0.000 0.755 94 A CB -1.021 17.964 19.000 -0.024 0.000 0.980 94 A HN 0.391 nan 8.150 nan 0.000 0.506 95 P HA 0.111 nan 4.420 nan 0.000 0.269 95 P C 0.504 177.776 177.300 -0.047 0.000 1.209 95 P CA -0.089 62.984 63.100 -0.045 0.000 0.776 95 P CB 0.556 32.225 31.700 -0.053 0.000 0.876 96 E N 0.541 120.711 120.200 -0.051 0.000 2.047 96 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 96 E C 1.127 177.690 176.600 -0.062 0.000 0.987 96 E CA 1.042 57.410 56.400 -0.053 0.000 0.799 96 E CB -0.110 29.557 29.700 -0.055 0.000 0.752 96 E HN 0.630 nan 8.360 nan 0.000 0.449 97 G N -0.536 108.222 108.800 -0.070 0.000 2.975 97 G HA2 0.105 4.065 3.960 -0.000 0.000 0.291 97 G HA3 0.105 4.065 3.960 -0.000 0.000 0.291 97 G C -0.594 174.252 174.900 -0.089 0.000 1.334 97 G CA -0.415 44.635 45.100 -0.082 0.000 0.843 97 G HN -0.163 nan 8.290 nan 0.000 0.548 98 D N -0.092 120.245 120.400 -0.104 0.000 2.183 98 D HA -0.000 4.639 4.640 -0.000 0.000 0.203 98 D C 2.604 178.832 176.300 -0.119 0.000 0.969 98 D CA 1.323 55.248 54.000 -0.124 0.000 0.842 98 D CB -0.159 40.554 40.800 -0.145 0.000 0.957 98 D HN 0.369 nan 8.370 nan 0.000 0.484 99 A N 0.916 123.679 122.820 -0.095 0.000 1.902 99 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 99 A C 2.117 179.655 177.584 -0.076 0.000 1.181 99 A CA 1.712 53.703 52.037 -0.077 0.000 0.623 99 A CB -0.525 18.432 19.000 -0.071 0.000 0.818 99 A HN 0.256 nan 8.150 nan 0.000 0.443 100 E N -0.711 119.443 120.200 -0.076 0.000 2.107 100 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 100 E C 1.877 178.432 176.600 -0.074 0.000 0.982 100 E CA 0.999 57.358 56.400 -0.068 0.000 0.809 100 E CB -0.158 29.505 29.700 -0.062 0.000 0.756 100 E HN 0.431 nan 8.360 nan 0.000 0.459 101 L N 0.504 121.675 121.223 -0.087 0.000 2.046 101 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 101 L C 2.205 179.006 176.870 -0.115 0.000 1.077 101 L CA 1.382 56.167 54.840 -0.093 0.000 0.747 101 L CB -0.526 41.471 42.059 -0.104 0.000 0.896 101 L HN 0.040 nan 8.230 nan 0.000 0.432 102 V N -0.709 119.121 119.914 -0.140 0.000 2.343 102 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 102 V C 2.549 178.559 176.094 -0.141 0.000 1.051 102 V CA 1.697 63.889 62.300 -0.181 0.000 1.036 102 V CB -0.557 31.182 31.823 -0.139 0.000 0.654 102 V HN 0.396 nan 8.190 nan 0.000 0.451 103 L N -0.259 120.911 121.223 -0.088 0.000 2.046 103 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 103 L C 2.629 179.461 176.870 -0.064 0.000 1.077 103 L CA 1.830 56.632 54.840 -0.064 0.000 0.747 103 L CB -0.769 41.260 42.059 -0.050 0.000 0.896 103 L HN 0.210 nan 8.230 nan 0.000 0.432 104 R N -0.748 119.713 120.500 -0.064 0.000 2.092 104 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 104 R C 2.211 178.486 176.300 -0.042 0.000 1.119 104 R CA 1.158 57.227 56.100 -0.052 0.000 0.970 104 R CB -0.830 29.443 30.300 -0.046 0.000 0.864 104 R HN 0.382 nan 8.270 nan 0.000 0.440 105 L N 0.414 121.609 121.223 -0.046 0.000 2.109 105 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 105 L C 2.439 179.320 176.870 0.018 0.000 1.086 105 L CA 0.857 55.709 54.840 0.020 0.000 0.760 105 L CB -0.444 41.576 42.059 -0.065 0.000 0.910 105 L HN 0.087 nan 8.230 nan 0.000 0.437 106 L N -0.389 120.787 121.223 -0.080 0.000 2.083 106 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 106 L C 2.433 179.283 176.870 -0.034 0.000 1.083 106 L CA 1.256 56.056 54.840 -0.066 0.000 0.752 106 L CB -0.470 41.547 42.059 -0.070 0.000 0.899 106 L HN 0.309 nan 8.230 nan 0.000 0.433 107 E N -0.403 119.768 120.200 -0.048 0.000 2.204 107 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 107 E C 2.213 178.753 176.600 -0.101 0.000 0.989 107 E CA 0.761 57.126 56.400 -0.060 0.000 0.824 107 E CB 0.029 29.694 29.700 -0.058 0.000 0.756 107 E HN 0.357 nan 8.360 nan 0.000 0.477 108 R N -0.588 119.821 120.500 -0.152 0.000 2.175 108 R HA 0.003 4.343 4.340 -0.000 0.000 0.202 108 R C 0.756 176.749 176.300 -0.512 0.000 1.018 108 R CA 0.651 56.531 56.100 -0.366 0.000 1.029 108 R CB 0.402 30.386 30.300 -0.526 0.000 0.959 108 R HN 0.161 nan 8.270 nan 0.000 0.480 109 Y N -0.185 120.102 120.300 -0.021 0.000 2.527 109 Y HA 0.255 4.805 4.550 -0.000 0.000 0.247 109 Y C 0.136 176.071 175.900 0.059 0.000 1.138 109 Y CA -0.174 57.941 58.100 0.025 0.000 1.228 109 Y CB 0.461 38.933 38.460 0.020 0.000 1.252 109 Y HN 0.115 nan 8.280 nan 0.000 0.531 110 D N 0.050 120.514 120.400 0.107 0.000 3.301 110 D HA -0.311 4.329 4.640 -0.000 0.000 0.217 110 D C 1.130 177.444 176.300 0.022 0.000 1.548 110 D CA 1.904 55.935 54.000 0.052 0.000 1.118 110 D CB -0.530 40.301 40.800 0.052 0.000 0.684 110 D HN 0.118 nan 8.370 nan 0.000 0.821 111 L N -1.130 120.069 121.223 -0.039 0.000 2.349 111 L HA 0.011 4.351 4.340 -0.000 0.000 0.220 111 L C 1.973 178.831 176.870 -0.021 0.000 1.130 111 L CA 1.731 56.574 54.840 0.006 0.000 0.791 111 L CB -0.915 41.099 42.059 -0.076 0.000 0.918 111 L HN 0.422 nan 8.230 nan 0.000 0.444 112 H N 0.602 119.720 119.070 0.079 0.000 2.546 112 H HA 0.178 4.734 4.556 -0.000 0.000 0.277 112 H C 2.274 177.593 175.328 -0.015 0.000 1.004 112 H CA 0.891 56.977 56.048 0.064 0.000 1.231 112 H CB -0.022 29.780 29.762 0.067 0.000 1.382 112 H HN 0.585 nan 8.280 nan 0.000 0.580 113 A N 0.953 123.769 122.820 -0.006 0.000 1.948 113 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 113 A C 1.984 179.403 177.584 -0.274 0.000 1.177 113 A CA 1.203 53.104 52.037 -0.226 0.000 0.636 113 A CB -1.145 17.633 19.000 -0.369 0.000 0.815 113 A HN 0.276 nan 8.150 nan 0.000 0.449 114 F N -0.382 119.607 119.950 0.064 0.000 2.451 114 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 114 F C 2.403 178.287 175.800 0.141 0.000 1.101 114 F CA 1.007 59.082 58.000 0.124 0.000 1.436 114 F CB -0.111 38.996 39.000 0.177 0.000 1.074 114 F HN 0.129 nan 8.300 nan 0.000 0.553 115 R N 0.062 120.702 120.500 0.233 0.000 2.280 115 R HA -0.007 4.333 4.340 -0.000 0.000 0.207 115 R C 1.576 177.941 176.300 0.107 0.000 1.043 115 R CA 0.711 56.929 56.100 0.198 0.000 1.006 115 R CB -0.203 30.194 30.300 0.162 0.000 0.885 115 R HN 0.379 nan 8.270 nan 0.000 0.467 116 L N 0.074 121.304 121.223 0.012 0.000 2.513 116 L HA 0.135 4.475 4.340 -0.000 0.000 0.222 116 L C 0.247 177.114 176.870 -0.004 0.000 1.096 116 L CA -0.083 54.722 54.840 -0.058 0.000 0.857 116 L CB 0.531 42.456 42.059 -0.224 0.000 1.026 116 L HN -0.128 nan 8.230 nan 0.000 0.469 117 V N 1.221 121.174 119.914 0.065 0.000 2.461 117 V HA 0.053 4.173 4.120 -0.000 0.000 0.275 117 V C 0.055 176.261 176.094 0.187 0.000 1.047 117 V CA -0.275 62.081 62.300 0.094 0.000 0.955 117 V CB 1.114 32.978 31.823 0.069 0.000 0.988 117 V HN 0.294 nan 8.190 nan 0.000 0.471 118 N N 3.744 122.523 118.700 0.133 0.000 2.558 118 N HA 0.600 5.340 4.740 -0.000 0.000 0.242 118 N C -0.111 175.557 175.510 0.262 0.000 0.979 118 N CA -0.036 53.106 53.050 0.154 0.000 0.931 118 N CB 1.091 39.625 38.487 0.079 0.000 1.122 118 N HN 0.850 nan 8.380 nan 0.000 0.508 119 G N 1.661 110.705 108.800 0.407 0.000 2.782 119 G HA2 0.385 4.345 3.960 -0.000 0.000 0.304 119 G HA3 0.385 4.345 3.960 -0.000 0.000 0.304 119 G C -1.476 173.660 174.900 0.394 0.000 1.315 119 G CA -0.723 44.553 45.100 0.294 0.000 0.791 119 G HN 0.482 nan 8.290 nan 0.000 0.519 120 R N -0.141 120.530 120.500 0.286 0.000 2.607 120 R HA 0.554 4.894 4.340 -0.000 0.000 0.278 120 R C -1.364 175.141 176.300 0.341 0.000 1.637 120 R CA -0.575 55.700 56.100 0.292 0.000 1.325 120 R CB 0.058 30.613 30.300 0.424 0.000 1.211 120 R HN 0.603 nan 8.270 nan 0.000 0.565 121 F N 0.244 120.264 119.950 0.117 0.000 2.745 121 F HA 0.915 5.441 4.527 -0.000 0.000 0.316 121 F C -1.874 173.979 175.800 0.088 0.000 1.155 121 F CA -1.249 56.817 58.000 0.111 0.000 0.937 121 F CB 1.298 40.349 39.000 0.084 0.000 1.361 121 F HN 0.205 nan 8.300 nan 0.000 0.472 122 A N 0.974 123.914 122.820 0.200 0.000 2.459 122 A HA 0.741 5.061 4.320 -0.000 0.000 0.296 122 A C -1.184 176.668 177.584 0.447 0.000 1.039 122 A CA -0.326 51.783 52.037 0.120 0.000 0.698 122 A CB 1.532 20.521 19.000 -0.017 0.000 1.261 122 A HN 1.231 nan 8.150 nan 0.000 0.405 123 T N 0.305 115.104 114.554 0.409 0.000 2.894 123 T HA 0.630 4.980 4.350 -0.000 0.000 0.309 123 T C -1.831 172.996 174.700 0.211 0.000 1.208 123 T CA -0.250 62.066 62.100 0.360 0.000 1.016 123 T CB 1.519 70.598 68.868 0.352 0.000 1.192 123 T HN 1.882 nan 8.240 nan 0.000 0.491 124 V N 4.662 124.598 119.914 0.037 0.000 2.588 124 V HA 0.872 4.992 4.120 -0.000 0.000 0.304 124 V C -1.417 174.654 176.094 -0.038 0.000 1.042 124 V CA -0.304 61.992 62.300 -0.008 0.000 0.877 124 V CB 1.631 33.413 31.823 -0.069 0.000 0.996 124 V HN 0.827 nan 8.190 nan 0.000 0.425 125 V N 7.050 126.977 119.914 0.021 0.000 2.656 125 V HA 0.646 4.766 4.120 -0.000 0.000 0.307 125 V C -0.257 175.846 176.094 0.015 0.000 1.051 125 V CA -0.776 61.538 62.300 0.024 0.000 0.893 125 V CB 2.006 33.880 31.823 0.085 0.000 0.999 125 V HN 0.954 nan 8.190 nan 0.000 0.426 126 R N 1.946 122.444 120.500 -0.003 0.000 2.437 126 R HA 0.670 5.010 4.340 -0.000 0.000 0.310 126 R C -0.927 175.374 176.300 0.000 0.000 0.955 126 R CA -0.189 55.910 56.100 -0.001 0.000 0.851 126 R CB 1.727 32.020 30.300 -0.012 0.000 1.161 126 R HN 0.760 nan 8.270 nan 0.000 0.446 127 T N 3.383 117.941 114.554 0.007 0.000 2.930 127 T HA 0.498 4.848 4.350 -0.000 0.000 0.313 127 T C 0.430 175.131 174.700 0.003 0.000 1.019 127 T CA 0.701 62.803 62.100 0.004 0.000 1.004 127 T CB 0.784 69.658 68.868 0.010 0.000 0.987 127 T HN 0.957 nan 8.240 nan 0.000 0.456 128 G N 4.970 113.769 108.800 -0.002 0.000 2.561 128 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.289 128 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.289 128 G C 0.065 174.963 174.900 -0.002 0.000 1.169 128 G CA 0.444 45.543 45.100 -0.002 0.000 0.980 128 G HN 0.654 nan 8.290 nan 0.000 0.550 129 D N 1.286 121.686 120.400 -0.001 0.000 2.525 129 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 129 D C 0.958 177.257 176.300 -0.001 0.000 1.202 129 D CA 0.025 54.023 54.000 -0.003 0.000 0.828 129 D CB 0.294 41.090 40.800 -0.006 0.000 1.008 129 D HN 0.467 nan 8.370 nan 0.000 0.493 130 R N 0.726 121.229 120.500 0.005 0.000 2.445 130 R HA 0.507 4.847 4.340 -0.000 0.000 0.308 130 R C -1.295 175.015 176.300 0.016 0.000 0.961 130 R CA -0.456 55.651 56.100 0.012 0.000 0.862 130 R CB 1.420 31.731 30.300 0.018 0.000 1.144 130 R HN -0.243 nan 8.270 nan 0.000 0.447 131 V N 6.376 126.301 119.914 0.017 0.000 2.495 131 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 131 V C -0.307 175.808 176.094 0.035 0.000 1.031 131 V CA -0.785 61.528 62.300 0.022 0.000 0.871 131 V CB 1.788 33.619 31.823 0.013 0.000 0.988 131 V HN 0.668 nan 8.190 nan 0.000 0.432 132 L N 5.784 127.036 121.223 0.049 0.000 2.322 132 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 132 L C -0.864 176.023 176.870 0.029 0.000 1.014 132 L CA -0.506 54.370 54.840 0.060 0.000 0.815 132 L CB 1.773 43.912 42.059 0.133 0.000 1.247 132 L HN 0.398 nan 8.230 nan 0.000 0.421 133 L N 3.407 124.622 121.223 -0.013 0.000 2.349 133 L HA 0.818 5.158 4.340 -0.000 0.000 0.278 133 L C -0.344 176.438 176.870 -0.146 0.000 0.996 133 L CA -0.423 54.400 54.840 -0.028 0.000 0.825 133 L CB 1.854 43.915 42.059 0.003 0.000 1.243 133 L HN 0.704 nan 8.230 nan 0.000 0.412 134 A N 1.850 124.538 122.820 -0.220 0.000 2.449 134 A HA 0.876 5.196 4.320 -0.000 0.000 0.302 134 A C -0.317 177.117 177.584 -0.250 0.000 1.048 134 A CA -0.498 51.287 52.037 -0.420 0.000 0.708 134 A CB 1.916 20.119 19.000 -1.328 0.000 1.274 134 A HN 0.633 nan 8.150 nan 0.000 0.410 135 T N -0.824 113.559 114.554 -0.285 0.000 2.949 135 T HA 0.675 5.025 4.350 -0.000 0.000 0.287 135 T C -0.192 174.162 174.700 -0.577 0.000 1.034 135 T CA -0.364 61.496 62.100 -0.401 0.000 1.018 135 T CB 1.115 69.833 68.868 -0.250 0.000 1.135 135 T HN 0.746 nan 8.240 nan 0.000 0.532 136 D N -0.830 119.058 120.400 -0.853 0.000 2.398 136 D HA 0.079 4.719 4.640 -0.000 0.000 0.247 136 D C 1.619 177.810 176.300 -0.182 0.000 1.227 136 D CA -0.544 53.093 54.000 -0.606 0.000 0.980 136 D CB 0.176 40.659 40.800 -0.529 0.000 1.106 136 D HN 0.784 nan 8.370 nan 0.000 0.493 137 H N -0.938 118.075 119.070 -0.094 0.000 2.431 137 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 137 H C 1.089 176.377 175.328 -0.065 0.000 1.115 137 H CA 1.772 57.728 56.048 -0.153 0.000 1.277 137 H CB -0.481 28.845 29.762 -0.727 0.000 1.372 137 H HN 0.458 nan 8.280 nan 0.000 0.516 138 A N 0.210 122.565 122.820 -0.775 0.000 2.390 138 A HA 0.435 4.755 4.320 -0.000 0.000 0.232 138 A C 1.890 179.521 177.584 0.077 0.000 1.233 138 A CA 0.510 52.438 52.037 -0.181 0.000 0.907 138 A CB -0.265 18.557 19.000 -0.298 0.000 0.967 138 A HN 0.740 nan 8.150 nan 0.000 0.512 139 G N 0.853 109.594 108.800 -0.098 0.000 2.305 139 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.287 139 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.287 139 G C 1.067 175.903 174.900 -0.106 0.000 1.036 139 G CA 1.219 46.255 45.100 -0.107 0.000 0.887 139 G HN 1.427 nan 8.290 nan 0.000 0.505 140 S N -2.235 113.383 115.700 -0.136 0.000 2.442 140 S HA 0.165 4.635 4.470 -0.000 0.000 0.236 140 S C 0.949 175.492 174.600 -0.095 0.000 1.007 140 S CA 1.254 59.396 58.200 -0.096 0.000 0.965 140 S CB 0.361 63.535 63.200 -0.043 0.000 0.773 140 S HN 0.949 nan 8.310 nan 0.000 0.504 141 V N 3.746 123.589 119.914 -0.119 0.000 2.304 141 V HA 0.422 4.542 4.120 -0.000 0.000 0.278 141 V C -2.541 173.459 176.094 -0.156 0.000 1.018 141 V CA -2.145 60.097 62.300 -0.097 0.000 0.814 141 V CB 0.819 32.621 31.823 -0.034 0.000 1.021 141 V HN 0.178 nan 8.190 nan 0.000 0.440 142 P HA 0.116 nan 4.420 nan 0.000 0.265 142 P C -0.820 176.290 177.300 -0.318 0.000 1.187 142 P CA 0.042 62.993 63.100 -0.248 0.000 0.766 142 P CB 0.524 32.164 31.700 -0.100 0.000 0.820 143 L N 4.633 125.548 121.223 -0.513 0.000 2.470 143 L HA 0.505 4.845 4.340 -0.000 0.000 0.268 143 L C -1.668 174.881 176.870 -0.536 0.000 0.964 143 L CA -0.627 53.994 54.840 -0.366 0.000 0.839 143 L CB 1.035 42.974 42.059 -0.201 0.000 1.276 143 L HN 0.264 nan 8.230 nan 0.000 0.403 144 Y N 2.087 122.380 120.300 -0.013 0.000 2.562 144 Y HA 0.852 5.402 4.550 -0.000 0.000 0.343 144 Y C 0.332 176.273 175.900 0.068 0.000 1.025 144 Y CA -0.655 57.465 58.100 0.034 0.000 1.082 144 Y CB 2.526 41.001 38.460 0.025 0.000 1.264 144 Y HN 0.607 nan 8.280 nan 0.000 0.478 145 T N 0.326 115.035 114.554 0.258 0.000 2.853 145 T HA 0.578 4.928 4.350 -0.000 0.000 0.311 145 T C -2.010 172.810 174.700 0.199 0.000 1.307 145 T CA -0.437 61.776 62.100 0.189 0.000 1.019 145 T CB 0.611 69.554 68.868 0.126 0.000 1.264 145 T HN 0.731 nan 8.240 nan 0.000 0.497 146 C N 3.344 122.728 119.300 0.140 0.000 2.364 146 C HA 0.806 5.265 4.460 -0.000 0.000 0.324 146 C C -0.536 174.495 174.990 0.069 0.000 1.234 146 C CA -0.656 58.437 59.018 0.125 0.000 1.417 146 C CB 0.444 28.233 27.740 0.083 0.000 2.101 146 C HN 0.736 nan 8.230 nan 0.000 0.466 147 V N 3.283 123.224 119.914 0.045 0.000 2.531 147 V HA 0.907 5.027 4.120 -0.000 0.000 0.301 147 V C 0.134 176.177 176.094 -0.087 0.000 1.034 147 V CA -0.071 62.213 62.300 -0.027 0.000 0.865 147 V CB 1.538 33.328 31.823 -0.056 0.000 0.995 147 V HN 1.073 nan 8.190 nan 0.000 0.424 148 A N 6.065 128.781 122.820 -0.172 0.000 2.556 148 A HA 0.971 5.291 4.320 -0.000 0.000 0.294 148 A C -3.151 174.197 177.584 -0.394 0.000 1.091 148 A CA -1.968 49.839 52.037 -0.383 0.000 0.704 148 A CB 2.098 20.980 19.000 -0.198 0.000 1.300 148 A HN 0.592 nan 8.150 nan 0.000 0.406 149 P HA 0.300 nan 4.420 nan 0.000 0.262 149 P C 0.959 178.154 177.300 -0.176 0.000 1.199 149 P CA 2.249 65.155 63.100 -0.324 0.000 0.763 149 P CB 0.576 32.087 31.700 -0.314 0.000 0.790 150 G N 1.963 110.692 108.800 -0.118 0.000 2.179 150 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 150 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 150 G C 0.034 174.902 174.900 -0.055 0.000 0.977 150 G CA -0.255 44.803 45.100 -0.070 0.000 0.641 150 G HN 0.558 nan 8.290 nan 0.000 0.533 151 E N -0.259 119.900 120.200 -0.069 0.000 2.294 151 E HA 0.497 4.847 4.350 -0.000 0.000 0.272 151 E C -1.176 175.404 176.600 -0.032 0.000 0.896 151 E CA -0.412 55.965 56.400 -0.039 0.000 0.802 151 E CB 2.163 31.847 29.700 -0.027 0.000 1.267 151 E HN 0.198 nan 8.360 nan 0.000 0.406 152 V N 4.657 124.565 119.914 -0.010 0.000 2.407 152 V HA 0.486 4.606 4.120 -0.000 0.000 0.291 152 V C -0.120 175.997 176.094 0.037 0.000 1.018 152 V CA -0.648 61.657 62.300 0.008 0.000 0.842 152 V CB 1.662 33.489 31.823 0.006 0.000 0.996 152 V HN 0.438 nan 8.190 nan 0.000 0.426 153 R N 3.130 123.665 120.500 0.058 0.000 2.514 153 R HA 0.881 5.221 4.340 -0.000 0.000 0.301 153 R C -0.579 175.796 176.300 0.126 0.000 0.962 153 R CA -0.504 55.648 56.100 0.087 0.000 0.882 153 R CB 2.326 32.673 30.300 0.078 0.000 1.143 153 R HN 0.769 nan 8.270 nan 0.000 0.452 154 A N 1.267 124.193 122.820 0.177 0.000 2.414 154 A HA 0.700 5.020 4.320 -0.000 0.000 0.306 154 A C -1.020 176.751 177.584 0.312 0.000 1.054 154 A CA -0.612 51.570 52.037 0.241 0.000 0.724 154 A CB 2.204 21.369 19.000 0.275 0.000 1.267 154 A HN 0.544 nan 8.150 nan 0.000 0.418 155 S N -0.444 115.391 115.700 0.226 0.000 2.550 155 S HA 0.554 5.023 4.470 -0.000 0.000 0.270 155 S C 0.644 175.215 174.600 -0.049 0.000 1.145 155 S CA 0.321 58.589 58.200 0.114 0.000 0.852 155 S CB 1.307 64.625 63.200 0.196 0.000 1.119 155 S HN 1.415 nan 8.310 nan 0.000 0.465 156 T N 0.119 114.472 114.554 -0.335 0.000 3.129 156 T HA 0.347 4.697 4.350 -0.000 0.000 0.251 156 T C 0.092 174.785 174.700 -0.012 0.000 1.117 156 T CA 0.244 62.165 62.100 -0.298 0.000 1.034 156 T CB -0.320 68.215 68.868 -0.555 0.000 0.968 156 T HN 0.577 nan 8.240 nan 0.000 0.526 157 E N -0.010 120.229 120.200 0.064 0.000 2.265 157 E HA 0.589 4.939 4.350 -0.000 0.000 0.262 157 E C 0.539 177.051 176.600 -0.146 0.000 0.889 157 E CA -0.571 55.828 56.400 -0.001 0.000 0.789 157 E CB 1.901 31.619 29.700 0.031 0.000 1.221 157 E HN 0.122 nan 8.360 nan 0.000 0.414 158 A N 4.086 126.520 122.820 -0.645 0.000 1.940 158 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 158 A C 1.960 179.365 177.584 -0.299 0.000 1.176 158 A CA 1.941 53.563 52.037 -0.692 0.000 0.631 158 A CB -0.494 17.894 19.000 -1.020 0.000 0.814 158 A HN 0.675 nan 8.150 nan 0.000 0.446 159 K N -0.327 119.917 120.400 -0.260 0.000 2.152 159 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 159 K C 1.805 178.355 176.600 -0.083 0.000 1.048 159 K CA 1.504 57.691 56.287 -0.167 0.000 0.933 159 K CB -0.503 31.902 32.500 -0.159 0.000 0.721 159 K HN 0.283 nan 8.250 nan 0.000 0.447 160 A N 0.659 123.451 122.820 -0.047 0.000 2.119 160 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 160 A C 1.886 179.466 177.584 -0.007 0.000 1.152 160 A CA 0.638 52.653 52.037 -0.037 0.000 0.708 160 A CB -0.114 18.891 19.000 0.008 0.000 0.805 160 A HN 0.251 nan 8.150 nan 0.000 0.460 161 L N -1.511 119.705 121.223 -0.012 0.000 2.463 161 L HA 0.273 4.613 4.340 -0.000 0.000 0.219 161 L C 2.628 179.474 176.870 -0.040 0.000 1.088 161 L CA 1.247 56.084 54.840 -0.005 0.000 0.849 161 L CB -0.581 41.487 42.059 0.015 0.000 1.012 161 L HN 0.328 nan 8.230 nan 0.000 0.468 162 A N -0.518 122.276 122.820 -0.043 0.000 1.968 162 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 162 A C 2.179 179.839 177.584 0.126 0.000 1.169 162 A CA 1.131 53.159 52.037 -0.015 0.000 0.638 162 A CB -0.618 18.362 19.000 -0.033 0.000 0.812 162 A HN 0.282 nan 8.150 nan 0.000 0.446 163 A N -1.024 121.854 122.820 0.097 0.000 2.264 163 A HA 0.312 4.632 4.320 -0.000 0.000 0.207 163 A C 0.594 178.327 177.584 0.248 0.000 1.196 163 A CA 0.797 52.917 52.037 0.139 0.000 0.778 163 A CB -0.785 18.240 19.000 0.042 0.000 0.779 163 A HN 0.712 nan 8.150 nan 0.000 0.483 168 K N 1.146 121.589 120.400 0.071 0.000 2.435 168 K HA 0.708 5.027 4.320 -0.000 0.000 0.251 168 K C -0.479 176.191 176.600 0.118 0.000 0.954 168 K CA -0.251 56.104 56.287 0.114 0.000 0.820 168 K CB 2.232 34.799 32.500 0.113 0.000 1.292 168 K HN 0.222 nan 8.250 nan 0.000 0.436 169 G N 2.619 111.546 108.800 0.213 0.000 2.864 169 G HA2 0.244 4.204 3.960 -0.000 0.000 0.223 169 G HA3 0.244 4.204 3.960 -0.000 0.000 0.223 169 G C -1.120 173.990 174.900 0.350 0.000 3.561 169 G CA -0.903 44.328 45.100 0.219 0.000 0.548 169 G HN 0.225 nan 8.290 nan 0.000 0.377 170 F N 1.431 121.397 119.950 0.027 0.000 2.668 170 F HA 0.233 4.760 4.527 -0.000 0.000 0.338 170 F C -0.919 174.867 175.800 -0.023 0.000 1.194 170 F CA -1.099 56.905 58.000 0.008 0.000 1.385 170 F CB 0.014 39.001 39.000 -0.022 0.000 1.088 170 F HN 0.250 nan 8.300 nan 0.000 0.624 171 P HA 0.226 nan 4.420 nan 0.000 0.281 171 P C -0.995 176.164 177.300 -0.235 0.000 1.252 171 P CA -0.090 63.013 63.100 0.004 0.000 0.778 171 P CB 0.734 32.489 31.700 0.092 0.000 0.895 172 L N 3.201 123.972 121.223 -0.755 0.000 2.264 172 L HA 0.308 4.648 4.340 -0.000 0.000 0.287 172 L C 1.813 178.512 176.870 -0.285 0.000 1.039 172 L CA -0.683 53.838 54.840 -0.533 0.000 0.829 172 L CB 0.982 42.623 42.059 -0.696 0.000 1.211 172 L HN 0.391 nan 8.230 nan 0.000 0.427 173 A N 2.903 125.651 122.820 -0.121 0.000 1.870 173 A HA -0.225 4.094 4.320 -0.000 0.000 0.219 173 A C 1.436 179.011 177.584 -0.016 0.000 1.224 173 A CA 1.929 53.943 52.037 -0.039 0.000 0.650 173 A CB -0.329 18.652 19.000 -0.031 0.000 0.836 173 A HN 0.776 nan 8.150 nan 0.000 0.454 174 D N 0.127 120.505 120.400 -0.038 0.000 2.332 174 D HA 0.379 5.019 4.640 -0.000 0.000 0.244 174 D C 0.375 176.676 176.300 0.001 0.000 1.136 174 D CA 0.963 54.950 54.000 -0.022 0.000 0.884 174 D CB -0.234 40.540 40.800 -0.044 0.000 0.906 174 D HN 0.471 nan 8.370 nan 0.000 0.520 175 A N 0.257 123.100 122.820 0.039 0.000 2.430 175 A HA 0.664 4.984 4.320 -0.000 0.000 0.300 175 A C -0.177 177.561 177.584 0.257 0.000 1.124 175 A CA -0.762 51.345 52.037 0.117 0.000 0.766 175 A CB 1.974 21.043 19.000 0.115 0.000 1.328 175 A HN -0.062 nan 8.150 nan 0.000 0.424 176 R N 0.654 121.277 120.500 0.205 0.000 2.407 176 R HA 0.418 4.758 4.340 -0.000 0.000 0.303 176 R C -0.463 175.842 176.300 0.009 0.000 0.981 176 R CA -0.628 55.548 56.100 0.126 0.000 0.905 176 R CB 1.444 31.764 30.300 0.033 0.000 1.099 176 R HN 0.689 nan 8.270 nan 0.000 0.459 177 R N 1.288 121.663 120.500 -0.207 0.000 2.491 177 R HA 0.115 4.455 4.340 -0.000 0.000 0.283 177 R C -0.170 175.994 176.300 -0.227 0.000 1.072 177 R CA -0.279 55.507 56.100 -0.524 0.000 1.048 177 R CB 0.714 30.752 30.300 -0.436 0.000 0.983 177 R HN 0.276 nan 8.270 nan 0.000 0.450 178 V N 3.009 122.816 119.914 -0.179 0.000 2.637 178 V HA 0.088 4.207 4.120 -0.000 0.000 0.296 178 V C 0.750 176.795 176.094 -0.081 0.000 1.046 178 V CA -0.494 61.782 62.300 -0.041 0.000 1.066 178 V CB 1.162 33.002 31.823 0.028 0.000 0.968 178 V HN 0.911 nan 8.190 nan 0.000 0.483 179 A N 4.386 127.117 122.820 -0.148 0.000 2.566 179 A HA 0.438 4.758 4.320 -0.000 0.000 0.245 179 A C 1.671 179.204 177.584 -0.085 0.000 1.056 179 A CA 0.723 52.623 52.037 -0.228 0.000 0.757 179 A CB -0.878 17.815 19.000 -0.512 0.000 0.979 179 A HN 2.101 nan 8.150 nan 0.000 0.508 180 G N 1.768 110.539 108.800 -0.048 0.000 2.779 180 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.230 180 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.230 180 G C 0.523 175.449 174.900 0.044 0.000 1.243 180 G CA 0.491 45.608 45.100 0.029 0.000 0.769 180 G HN 0.985 nan 8.290 nan 0.000 0.516 181 L N 1.794 123.055 121.223 0.064 0.000 2.483 181 L HA 0.469 4.809 4.340 -0.000 0.000 0.277 181 L C 1.162 178.017 176.870 -0.024 0.000 1.248 181 L CA 0.890 55.746 54.840 0.026 0.000 0.825 181 L CB 0.252 42.318 42.059 0.012 0.000 1.096 181 L HN 0.615 nan 8.230 nan 0.000 0.512 182 T N -2.484 112.054 114.554 -0.025 0.000 2.848 182 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 182 T C 0.585 175.275 174.700 -0.016 0.000 0.995 182 T CA -0.092 61.993 62.100 -0.024 0.000 0.970 182 T CB 1.782 70.658 68.868 0.013 0.000 0.976 182 T HN 1.011 nan 8.240 nan 0.000 0.441 183 G N 1.618 110.436 108.800 0.030 0.000 2.184 183 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.264 183 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.264 183 G C 0.028 175.043 174.900 0.190 0.000 0.975 183 G CA 0.110 45.305 45.100 0.159 0.000 0.642 183 G HN 1.230 nan 8.290 nan 0.000 0.536 184 V N 0.850 120.775 119.914 0.018 0.000 2.394 184 V HA 0.703 4.823 4.120 -0.000 0.000 0.282 184 V C -0.188 175.870 176.094 -0.061 0.000 1.031 184 V CA -0.806 61.531 62.300 0.061 0.000 0.881 184 V CB 1.073 32.896 31.823 -0.001 0.000 0.982 184 V HN 0.231 nan 8.190 nan 0.000 0.451 185 Y N 2.209 122.585 120.300 0.127 0.000 2.524 185 Y HA 0.545 5.095 4.550 -0.000 0.000 0.344 185 Y C 0.180 176.188 175.900 0.181 0.000 1.012 185 Y CA -0.822 57.355 58.100 0.128 0.000 1.068 185 Y CB 1.883 40.385 38.460 0.070 0.000 1.249 185 Y HN 0.568 nan 8.280 nan 0.000 0.468 186 Q N 1.491 121.434 119.800 0.239 0.000 2.271 186 Q HA 0.569 4.909 4.340 -0.000 0.000 0.258 186 Q C -1.442 174.529 176.000 -0.048 0.000 0.936 186 Q CA -0.744 55.046 55.803 -0.022 0.000 0.909 186 Q CB 1.250 29.939 28.738 -0.081 0.000 1.253 186 Q HN 0.600 nan 8.270 nan 0.000 0.440 187 V N 6.879 126.708 119.914 -0.141 0.000 2.521 187 V HA 0.152 4.272 4.120 -0.000 0.000 0.286 187 V C -1.978 174.048 176.094 -0.113 0.000 1.034 187 V CA -1.119 61.125 62.300 -0.093 0.000 1.045 187 V CB 0.507 32.265 31.823 -0.108 0.000 0.974 187 V HN 0.842 nan 8.190 nan 0.000 0.480 188 P HA 0.169 nan 4.420 nan 0.000 0.269 188 P C -0.259 177.008 177.300 -0.055 0.000 1.217 188 P CA -0.017 63.048 63.100 -0.060 0.000 0.783 188 P CB 0.448 32.131 31.700 -0.028 0.000 0.898 189 A N 2.048 124.845 122.820 -0.039 0.000 2.425 189 A HA 0.459 4.779 4.320 -0.000 0.000 0.242 189 A C 1.227 178.881 177.584 0.118 0.000 1.077 189 A CA 0.316 52.370 52.037 0.028 0.000 0.781 189 A CB -1.172 17.900 19.000 0.119 0.000 1.020 189 A HN 0.863 nan 8.150 nan 0.000 0.494 190 G N -0.466 108.417 108.800 0.138 0.000 2.371 190 G HA2 0.265 4.225 3.960 -0.000 0.000 0.299 190 G HA3 0.265 4.225 3.960 -0.000 0.000 0.299 190 G C 0.257 175.269 174.900 0.187 0.000 1.014 190 G CA 0.870 46.120 45.100 0.250 0.000 1.097 190 G HN 2.295 nan 8.290 nan 0.000 0.512 191 A N -1.507 121.360 122.820 0.079 0.000 2.594 191 A HA 0.970 5.290 4.320 -0.000 0.000 0.291 191 A C -0.599 176.970 177.584 -0.025 0.000 1.105 191 A CA -0.057 52.015 52.037 0.058 0.000 0.694 191 A CB 2.425 21.443 19.000 0.030 0.000 1.291 191 A HN 1.867 nan 8.150 nan 0.000 0.410 192 V N 1.812 121.733 119.914 0.012 0.000 2.569 192 V HA 0.632 4.752 4.120 -0.000 0.000 0.301 192 V C -1.011 175.104 176.094 0.036 0.000 1.044 192 V CA -0.514 61.755 62.300 -0.052 0.000 0.874 192 V CB 1.386 33.203 31.823 -0.010 0.000 1.002 192 V HN 0.869 nan 8.190 nan 0.000 0.424 193 M N 5.631 125.226 119.600 -0.008 0.000 2.113 193 M HA 0.439 4.919 4.480 -0.000 0.000 0.352 193 M C -0.885 175.438 176.300 0.037 0.000 1.170 193 M CA -0.292 55.014 55.300 0.008 0.000 1.053 193 M CB 1.225 33.814 32.600 -0.019 0.000 1.601 193 M HN 0.617 nan 8.290 nan 0.000 0.459 194 D N 5.185 125.627 120.400 0.069 0.000 2.412 194 D HA 0.468 5.108 4.640 -0.000 0.000 0.224 194 D C -1.130 175.192 176.300 0.037 0.000 1.093 194 D CA -0.145 53.902 54.000 0.078 0.000 0.850 194 D CB 0.554 41.440 40.800 0.143 0.000 1.046 194 D HN 0.474 nan 8.370 nan 0.000 0.507 195 I N 2.290 122.874 120.570 0.023 0.000 2.404 195 I HA 0.227 4.397 4.170 -0.000 0.000 0.293 195 I C -0.053 176.064 176.117 0.001 0.000 0.992 195 I CA -1.068 60.233 61.300 0.002 0.000 1.149 195 I CB 1.922 39.916 38.000 -0.009 0.000 1.315 195 I HN 0.200 nan 8.210 nan 0.000 0.446 196 D N 5.577 125.972 120.400 -0.008 0.000 2.347 196 D HA 0.196 4.836 4.640 -0.000 0.000 0.235 196 D C 0.897 177.180 176.300 -0.028 0.000 1.149 196 D CA -0.203 53.791 54.000 -0.010 0.000 0.850 196 D CB 1.160 41.956 40.800 -0.008 0.000 1.061 196 D HN 0.490 nan 8.370 nan 0.000 0.487 197 L N 3.674 124.882 121.223 -0.024 0.000 2.012 197 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 197 L C 2.028 178.868 176.870 -0.050 0.000 1.073 197 L CA 1.838 56.657 54.840 -0.036 0.000 0.748 197 L CB -0.464 41.581 42.059 -0.023 0.000 0.891 197 L HN 0.687 nan 8.230 nan 0.000 0.431 198 G N -0.816 107.961 108.800 -0.038 0.000 2.459 198 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 198 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 198 G C 1.646 176.511 174.900 -0.058 0.000 1.183 198 G CA 1.061 46.137 45.100 -0.040 0.000 0.776 198 G HN 0.556 nan 8.290 nan 0.000 0.552 199 S N -0.618 115.050 115.700 -0.053 0.000 2.470 199 S HA 0.333 4.803 4.470 -0.000 0.000 0.225 199 S C 1.961 176.490 174.600 -0.118 0.000 1.006 199 S CA 1.089 59.253 58.200 -0.060 0.000 0.934 199 S CB -0.079 63.107 63.200 -0.024 0.000 0.778 199 S HN 1.660 nan 8.310 nan 0.000 0.517 200 G N 1.781 110.505 108.800 -0.127 0.000 2.153 200 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 200 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 200 G C 0.157 174.989 174.900 -0.114 0.000 0.994 200 G CA 0.475 45.468 45.100 -0.179 0.000 0.698 200 G HN 1.203 nan 8.290 nan 0.000 0.521 201 T N -1.732 112.787 114.554 -0.058 0.000 2.882 201 T HA 0.831 5.181 4.350 -0.000 0.000 0.287 201 T C 0.103 174.786 174.700 -0.029 0.000 0.992 201 T CA 0.369 62.454 62.100 -0.025 0.000 1.076 201 T CB 2.379 71.245 68.868 -0.003 0.000 0.961 201 T HN 1.734 nan 8.240 nan 0.000 0.490 202 A N 2.333 125.132 122.820 -0.034 0.000 2.401 202 A HA 0.770 5.090 4.320 -0.000 0.000 0.310 202 A C -0.832 176.723 177.584 -0.049 0.000 1.075 202 A CA -0.871 51.143 52.037 -0.039 0.000 0.746 202 A CB 1.805 20.771 19.000 -0.057 0.000 1.277 202 A HN 0.871 nan 8.150 nan 0.000 0.425 203 V N 1.455 121.339 119.914 -0.051 0.000 2.531 203 V HA 0.541 4.660 4.120 -0.000 0.000 0.301 203 V C -0.201 175.786 176.094 -0.179 0.000 1.034 203 V CA -0.397 61.833 62.300 -0.118 0.000 0.865 203 V CB 1.871 33.640 31.823 -0.090 0.000 0.995 203 V HN 0.931 nan 8.190 nan 0.000 0.424 204 T N 4.471 118.882 114.554 -0.237 0.000 2.794 204 T HA 0.530 4.879 4.350 -0.000 0.000 0.280 204 T C -0.606 173.905 174.700 -0.314 0.000 0.987 204 T CA -0.380 61.608 62.100 -0.188 0.000 0.993 204 T CB 0.391 69.203 68.868 -0.093 0.000 0.939 204 T HN 0.621 nan 8.240 nan 0.000 0.449 205 H N 2.521 121.604 119.070 0.021 0.000 2.505 205 H HA 0.378 4.934 4.556 -0.000 0.000 0.338 205 H C 0.119 175.486 175.328 0.064 0.000 1.057 205 H CA -0.674 55.401 56.048 0.044 0.000 1.202 205 H CB 1.527 31.314 29.762 0.040 0.000 1.466 205 H HN 0.330 nan 8.280 nan 0.000 0.499 206 R N 0.940 121.544 120.500 0.173 0.000 2.390 206 R HA 0.114 4.454 4.340 -0.000 0.000 0.291 206 R C 0.808 177.235 176.300 0.211 0.000 1.070 206 R CA -0.055 56.143 56.100 0.162 0.000 1.014 206 R CB 0.771 31.141 30.300 0.117 0.000 1.007 206 R HN 0.694 nan 8.270 nan 0.000 0.466 207 T N -1.767 112.940 114.554 0.253 0.000 3.054 207 T HA 0.139 4.488 4.350 -0.000 0.000 0.255 207 T C -0.197 174.736 174.700 0.390 0.000 1.035 207 T CA -0.519 61.761 62.100 0.299 0.000 0.941 207 T CB 0.146 69.209 68.868 0.324 0.000 1.026 207 T HN 0.657 nan 8.240 nan 0.000 0.533 208 W N 0.408 121.800 121.300 0.153 0.000 3.298 208 W HA 0.547 5.207 4.660 -0.000 0.000 0.302 208 W C -2.152 174.454 176.519 0.147 0.000 1.255 208 W CA -0.465 56.971 57.345 0.153 0.000 1.196 208 W CB 1.156 30.743 29.460 0.212 0.000 1.364 208 W HN -0.001 nan 8.180 nan 0.000 0.566 209 T N 4.456 118.529 114.554 -0.801 0.000 3.012 209 T HA 0.493 4.843 4.350 -0.000 0.000 0.330 209 T C -2.910 170.980 174.700 -1.348 0.000 1.321 209 T CA -1.112 60.534 62.100 -0.757 0.000 1.067 209 T CB 1.418 70.109 68.868 -0.295 0.000 1.235 209 T HN 0.163 nan 8.240 nan 0.000 0.479 210 P HA 0.292 nan 4.420 nan 0.000 0.265 210 P C 0.109 177.183 177.300 -0.376 0.000 1.193 210 P CA -0.035 62.684 63.100 -0.634 0.000 0.765 210 P CB 0.304 31.913 31.700 -0.151 0.000 0.823 211 G N 1.943 110.588 108.800 -0.258 0.000 2.491 211 G HA2 0.210 4.170 3.960 -0.000 0.000 0.242 211 G HA3 0.210 4.170 3.960 -0.000 0.000 0.242 211 G C 0.535 175.379 174.900 -0.093 0.000 1.266 211 G CA -0.428 44.581 45.100 -0.151 0.000 0.844 211 G HN 0.502 nan 8.290 nan 0.000 0.571 212 L N 1.231 122.411 121.223 -0.071 0.000 2.609 212 L HA 0.151 4.491 4.340 -0.000 0.000 0.230 212 L C 1.570 178.423 176.870 -0.029 0.000 1.087 212 L CA 0.102 54.917 54.840 -0.042 0.000 0.874 212 L CB -0.058 41.978 42.059 -0.038 0.000 1.114 212 L HN 0.583 nan 8.230 nan 0.000 0.488 213 S N 0.178 115.860 115.700 -0.031 0.000 2.652 213 S HA 0.554 5.024 4.470 -0.000 0.000 0.270 213 S C -0.025 174.564 174.600 -0.018 0.000 1.243 213 S CA -0.828 57.359 58.200 -0.021 0.000 0.999 213 S CB 1.715 64.903 63.200 -0.020 0.000 0.973 213 S HN 0.054 nan 8.310 nan 0.000 0.544 214 R N 0.577 121.069 120.500 -0.013 0.000 2.740 214 R HA 0.494 4.834 4.340 -0.000 0.000 0.282 214 R C -0.479 175.817 176.300 -0.006 0.000 0.969 214 R CA -0.700 55.394 56.100 -0.010 0.000 0.918 214 R CB 1.733 32.026 30.300 -0.012 0.000 1.175 214 R HN 0.822 nan 8.270 nan 0.000 0.464 215 R N 2.039 122.539 120.500 -0.001 0.000 2.474 215 R HA 0.511 4.851 4.340 -0.000 0.000 0.295 215 R C -0.499 175.805 176.300 0.007 0.000 0.980 215 R CA -0.513 55.590 56.100 0.004 0.000 0.934 215 R CB 0.924 31.229 30.300 0.009 0.000 1.101 215 R HN 0.547 nan 8.270 nan 0.000 0.469 216 I N 5.746 126.320 120.570 0.006 0.000 2.354 216 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 216 I C -0.611 175.515 176.117 0.014 0.000 0.989 216 I CA -0.598 60.706 61.300 0.006 0.000 1.188 216 I CB 1.440 39.439 38.000 -0.001 0.000 1.342 216 I HN 0.442 nan 8.210 nan 0.000 0.457 217 L N 7.608 128.845 121.223 0.023 0.000 2.466 217 L HA 0.539 4.879 4.340 -0.000 0.000 0.258 217 L C -2.381 174.515 176.870 0.042 0.000 0.973 217 L CA -1.731 53.130 54.840 0.034 0.000 0.826 217 L CB 2.881 44.967 42.059 0.046 0.000 1.372 217 L HN 0.364 nan 8.230 nan 0.000 0.409 218 P HA 0.120 nan 4.420 nan 0.000 0.272 218 P C 0.094 177.450 177.300 0.094 0.000 1.230 218 P CA -0.226 62.903 63.100 0.049 0.000 0.788 218 P CB 1.082 32.808 31.700 0.042 0.000 0.949 219 E N 1.409 121.680 120.200 0.119 0.000 2.065 219 E HA -0.221 4.129 4.350 -0.000 0.000 0.201 219 E C 2.146 178.883 176.600 0.228 0.000 1.016 219 E CA 1.980 58.530 56.400 0.250 0.000 0.818 219 E CB -0.815 29.060 29.700 0.291 0.000 0.749 219 E HN 0.741 nan 8.360 nan 0.000 0.453 220 G N 1.231 110.122 108.800 0.151 0.000 2.491 220 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 220 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 220 G C 1.299 176.247 174.900 0.080 0.000 1.180 220 G CA 1.138 46.301 45.100 0.106 0.000 0.774 220 G HN 0.277 nan 8.290 nan 0.000 0.562 221 E N 0.583 120.827 120.200 0.072 0.000 2.106 221 E HA 0.033 4.383 4.350 -0.000 0.000 0.192 221 E C 2.932 179.568 176.600 0.059 0.000 0.984 221 E CA 0.639 57.072 56.400 0.055 0.000 0.806 221 E CB -0.185 29.542 29.700 0.045 0.000 0.750 221 E HN 0.422 nan 8.360 nan 0.000 0.458 222 A N 1.143 124.015 122.820 0.087 0.000 1.877 222 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 222 A C 2.527 180.153 177.584 0.070 0.000 1.186 222 A CA 1.144 53.237 52.037 0.093 0.000 0.620 222 A CB -0.682 18.409 19.000 0.151 0.000 0.822 222 A HN 0.111 nan 8.150 nan 0.000 0.443 223 V N -0.158 119.798 119.914 0.070 0.000 2.343 223 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 223 V C 3.056 179.144 176.094 -0.009 0.000 1.051 223 V CA 1.944 64.238 62.300 -0.011 0.000 1.036 223 V CB -1.189 30.612 31.823 -0.035 0.000 0.654 223 V HN 0.616 nan 8.190 nan 0.000 0.451 224 A N -0.096 122.733 122.820 0.014 0.000 1.902 224 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 224 A C 2.408 179.996 177.584 0.008 0.000 1.181 224 A CA 2.037 54.079 52.037 0.009 0.000 0.623 224 A CB -0.732 18.278 19.000 0.017 0.000 0.818 224 A HN 0.562 nan 8.150 nan 0.000 0.443 225 A N -0.646 122.183 122.820 0.015 0.000 1.898 225 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 225 A C 2.220 179.809 177.584 0.008 0.000 1.181 225 A CA 1.683 53.728 52.037 0.013 0.000 0.620 225 A CB -0.872 18.141 19.000 0.021 0.000 0.819 225 A HN 0.362 nan 8.150 nan 0.000 0.442 226 V N 0.118 120.037 119.914 0.009 0.000 2.343 226 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 226 V C 2.697 178.791 176.094 0.001 0.000 1.051 226 V CA 2.382 64.687 62.300 0.010 0.000 1.036 226 V CB -0.781 31.046 31.823 0.007 0.000 0.654 226 V HN 0.651 nan 8.190 nan 0.000 0.451 227 R N 1.170 121.664 120.500 -0.010 0.000 2.073 227 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 227 R C 2.163 178.455 176.300 -0.014 0.000 1.134 227 R CA 2.056 58.148 56.100 -0.014 0.000 0.952 227 R CB -1.088 29.201 30.300 -0.018 0.000 0.850 227 R HN 0.421 nan 8.270 nan 0.000 0.433 228 A N 0.181 122.995 122.820 -0.009 0.000 1.902 228 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 228 A C 2.369 179.943 177.584 -0.016 0.000 1.181 228 A CA 1.857 53.888 52.037 -0.010 0.000 0.623 228 A CB -1.034 17.964 19.000 -0.003 0.000 0.818 228 A HN 0.502 nan 8.150 nan 0.000 0.443 229 A N -0.761 122.050 122.820 -0.015 0.000 1.898 229 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 229 A C 2.109 179.666 177.584 -0.046 0.000 1.181 229 A CA 1.626 53.649 52.037 -0.024 0.000 0.620 229 A CB -0.542 18.450 19.000 -0.014 0.000 0.819 229 A HN 0.591 nan 8.150 nan 0.000 0.442 230 L N -0.133 121.060 121.223 -0.050 0.000 2.056 230 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 230 L C 2.220 179.033 176.870 -0.095 0.000 1.078 230 L CA 2.032 56.812 54.840 -0.099 0.000 0.749 230 L CB -0.620 41.383 42.059 -0.094 0.000 0.901 230 L HN 0.351 nan 8.230 nan 0.000 0.433 231 E N -0.005 120.160 120.200 -0.058 0.000 2.085 231 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 231 E C 2.160 178.731 176.600 -0.049 0.000 0.994 231 E CA 1.496 57.869 56.400 -0.045 0.000 0.801 231 E CB -0.191 29.495 29.700 -0.024 0.000 0.743 231 E HN 0.544 nan 8.360 nan 0.000 0.453 232 K N 0.543 120.916 120.400 -0.045 0.000 2.025 232 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 232 K C 2.137 178.697 176.600 -0.065 0.000 1.049 232 K CA 1.173 57.435 56.287 -0.040 0.000 0.933 232 K CB -0.103 32.381 32.500 -0.027 0.000 0.714 232 K HN 0.043 nan 8.250 nan 0.000 0.438 233 A N 0.676 123.440 122.820 -0.092 0.000 1.978 233 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 233 A C 2.176 179.641 177.584 -0.198 0.000 1.170 233 A CA 1.598 53.547 52.037 -0.147 0.000 0.636 233 A CB -0.478 18.432 19.000 -0.151 0.000 0.810 233 A HN 0.202 nan 8.150 nan 0.000 0.448 234 V N -0.519 119.303 119.914 -0.154 0.000 2.407 234 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 234 V C 3.014 179.051 176.094 -0.095 0.000 1.041 234 V CA 1.574 63.791 62.300 -0.138 0.000 1.040 234 V CB -1.053 30.704 31.823 -0.109 0.000 0.671 234 V HN 0.596 nan 8.190 nan 0.000 0.455 235 A N -0.594 122.186 122.820 -0.066 0.000 1.908 235 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 235 A C 2.145 179.716 177.584 -0.022 0.000 1.181 235 A CA 1.998 54.015 52.037 -0.033 0.000 0.627 235 A CB -0.506 18.481 19.000 -0.021 0.000 0.818 235 A HN 0.615 nan 8.150 nan 0.000 0.445 236 Q N -1.020 118.754 119.800 -0.042 0.000 2.226 236 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 236 Q C 1.911 177.923 176.000 0.020 0.000 0.975 236 Q CA 1.194 57.003 55.803 0.010 0.000 0.866 236 Q CB -0.060 28.683 28.738 0.007 0.000 0.915 236 Q HN 0.621 nan 8.270 nan 0.000 0.440 237 R N -0.477 119.949 120.500 -0.123 0.000 2.317 237 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 237 R C -0.346 175.986 176.300 0.053 0.000 0.914 237 R CA -0.051 56.006 56.100 -0.072 0.000 1.060 237 R CB 0.867 31.023 30.300 -0.239 0.000 1.015 237 R HN -0.059 nan 8.270 nan 0.000 0.498 238 V N 1.717 121.651 119.914 0.032 0.000 2.370 238 V HA 0.157 4.277 4.120 -0.000 0.000 0.283 238 V C 0.185 176.310 176.094 0.052 0.000 1.023 238 V CA -0.577 61.748 62.300 0.042 0.000 0.857 238 V CB 1.723 33.553 31.823 0.012 0.000 0.985 238 V HN 0.088 nan 8.190 nan 0.000 0.443 239 T N 7.929 122.519 114.554 0.061 0.000 2.870 239 T HA 0.229 4.579 4.350 -0.000 0.000 0.300 239 T C -2.350 172.366 174.700 0.027 0.000 0.989 239 T CA -0.667 61.461 62.100 0.048 0.000 1.139 239 T CB 0.810 69.708 68.868 0.049 0.000 0.920 239 T HN 0.445 nan 8.240 nan 0.000 0.537 240 P HA 0.227 nan 4.420 nan 0.000 0.264 240 P C 1.131 178.434 177.300 0.006 0.000 1.193 240 P CA 0.852 63.957 63.100 0.008 0.000 0.763 240 P CB 0.366 32.070 31.700 0.006 0.000 0.810 241 G N 2.635 111.435 108.800 -0.000 0.000 2.336 241 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.233 241 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.233 241 G C 0.160 175.061 174.900 0.003 0.000 1.053 241 G CA 0.229 45.329 45.100 -0.001 0.000 0.625 241 G HN 0.650 nan 8.290 nan 0.000 0.511 242 D N 1.383 121.789 120.400 0.011 0.000 2.264 242 D HA 0.561 5.201 4.640 -0.000 0.000 0.250 242 D C 0.331 176.641 176.300 0.017 0.000 1.113 242 D CA 0.154 54.165 54.000 0.020 0.000 0.871 242 D CB 0.838 41.659 40.800 0.035 0.000 1.167 242 D HN 0.044 nan 8.370 nan 0.000 0.447 243 T N 6.367 120.931 114.554 0.016 0.000 2.761 243 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 243 T C -2.132 172.587 174.700 0.031 0.000 0.934 243 T CA -0.977 61.130 62.100 0.011 0.000 1.091 243 T CB 1.188 70.060 68.868 0.007 0.000 0.896 243 T HN 0.405 nan 8.240 nan 0.000 0.515 244 P HA 0.412 nan 4.420 nan 0.000 0.278 244 P C -1.014 176.315 177.300 0.048 0.000 1.266 244 P CA -0.857 62.273 63.100 0.049 0.000 0.807 244 P CB 0.975 32.703 31.700 0.045 0.000 1.094 245 L N 1.337 122.590 121.223 0.050 0.000 2.322 245 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 245 L C -1.022 175.881 176.870 0.054 0.000 1.014 245 L CA -0.672 54.196 54.840 0.046 0.000 0.815 245 L CB 1.597 43.670 42.059 0.023 0.000 1.247 245 L HN 0.046 nan 8.230 nan 0.000 0.421 246 V N 5.514 125.471 119.914 0.072 0.000 2.417 246 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 246 V C -0.338 175.816 176.094 0.100 0.000 1.024 246 V CA -0.807 61.542 62.300 0.083 0.000 0.861 246 V CB 1.938 33.812 31.823 0.086 0.000 0.985 246 V HN 0.606 nan 8.190 nan 0.000 0.436 247 V N 4.554 124.534 119.914 0.109 0.000 2.397 247 V HA 0.493 4.613 4.120 -0.000 0.000 0.262 247 V C -0.334 175.831 176.094 0.118 0.000 1.047 247 V CA -0.260 62.105 62.300 0.108 0.000 1.003 247 V CB 0.644 32.535 31.823 0.113 0.000 1.037 247 V HN 0.608 nan 8.190 nan 0.000 0.480 248 L N 5.725 127.029 121.223 0.135 0.000 2.307 248 L HA 0.814 5.154 4.340 -0.000 0.000 0.284 248 L C 0.458 177.408 176.870 0.133 0.000 1.023 248 L CA 0.577 55.497 54.840 0.134 0.000 0.810 248 L CB 1.875 44.020 42.059 0.144 0.000 1.231 248 L HN 1.022 nan 8.230 nan 0.000 0.423 249 S N 2.206 117.961 115.700 0.092 0.000 2.801 249 S HA 0.660 5.130 4.470 -0.000 0.000 0.312 249 S C 0.808 175.438 174.600 0.049 0.000 1.112 249 S CA -0.101 58.140 58.200 0.069 0.000 0.943 249 S CB 0.999 64.221 63.200 0.037 0.000 1.269 249 S HN 0.754 nan 8.310 nan 0.000 0.558 250 G N -0.504 108.311 108.800 0.025 0.000 2.985 250 G HA2 0.421 4.381 3.960 -0.000 0.000 0.209 250 G HA3 0.421 4.381 3.960 -0.000 0.000 0.209 250 G C 0.617 175.515 174.900 -0.002 0.000 1.165 250 G CA 0.044 45.150 45.100 0.010 0.000 0.776 250 G HN 0.983 nan 8.290 nan 0.000 0.541 251 G N -0.030 108.769 108.800 -0.002 0.000 2.572 251 G HA2 0.330 4.290 3.960 -0.000 0.000 0.261 251 G HA3 0.330 4.290 3.960 -0.000 0.000 0.261 251 G C 0.817 175.713 174.900 -0.007 0.000 1.197 251 G CA -0.525 44.567 45.100 -0.013 0.000 0.870 251 G HN 0.041 nan 8.290 nan 0.000 0.548 252 I N -0.064 120.493 120.570 -0.021 0.000 2.361 252 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 252 I C 1.889 178.019 176.117 0.021 0.000 1.133 252 I CA 1.384 62.675 61.300 -0.014 0.000 1.413 252 I CB -0.117 37.860 38.000 -0.039 0.000 1.073 252 I HN 0.469 nan 8.210 nan 0.000 0.424 253 D N 0.159 120.556 120.400 -0.005 0.000 2.078 253 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 253 D C 2.426 178.878 176.300 0.253 0.000 0.990 253 D CA 2.086 56.115 54.000 0.049 0.000 0.827 253 D CB -0.680 40.047 40.800 -0.123 0.000 0.975 253 D HN 0.503 nan 8.370 nan 0.000 0.451 254 S N 0.200 115.994 115.700 0.156 0.000 2.402 254 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 254 S C 2.145 176.814 174.600 0.114 0.000 1.021 254 S CA 0.987 59.280 58.200 0.155 0.000 0.974 254 S CB -0.246 63.024 63.200 0.118 0.000 0.800 254 S HN 0.017 nan 8.310 nan 0.000 0.484 255 S N 1.886 117.635 115.700 0.083 0.000 2.383 255 S HA 0.065 4.535 4.470 -0.000 0.000 0.227 255 S C 2.139 176.775 174.600 0.061 0.000 1.026 255 S CA 1.069 59.300 58.200 0.052 0.000 0.981 255 S CB -1.059 62.152 63.200 0.018 0.000 0.818 255 S HN 0.756 nan 8.310 nan 0.000 0.472 256 G N 1.186 110.042 108.800 0.092 0.000 2.418 256 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 256 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 256 G C 1.436 176.370 174.900 0.056 0.000 1.158 256 G CA 0.896 46.050 45.100 0.091 0.000 0.771 256 G HN 0.420 nan 8.290 nan 0.000 0.545 257 V N 1.472 121.423 119.914 0.062 0.000 2.358 257 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 257 V C 3.319 179.427 176.094 0.024 0.000 1.047 257 V CA 1.900 64.193 62.300 -0.011 0.000 1.035 257 V CB -0.766 31.055 31.823 -0.005 0.000 0.658 257 V HN 0.470 nan 8.190 nan 0.000 0.452 258 A N 0.188 123.042 122.820 0.056 0.000 1.883 258 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 258 A C 2.445 180.078 177.584 0.082 0.000 1.186 258 A CA 2.352 54.432 52.037 0.071 0.000 0.624 258 A CB -0.900 18.142 19.000 0.070 0.000 0.822 258 A HN 0.583 nan 8.150 nan 0.000 0.444 259 A N -1.105 121.752 122.820 0.061 0.000 1.908 259 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 259 A C 2.324 179.953 177.584 0.075 0.000 1.181 259 A CA 1.796 53.870 52.037 0.062 0.000 0.627 259 A CB -1.271 17.755 19.000 0.044 0.000 0.818 259 A HN 0.627 nan 8.150 nan 0.000 0.445 260 C N -1.212 118.112 119.300 0.040 0.000 2.440 260 C HA 0.148 4.608 4.460 -0.000 0.000 0.278 260 C C 3.305 178.312 174.990 0.028 0.000 1.295 260 C CA 0.622 59.651 59.018 0.019 0.000 1.738 260 C CB -1.263 26.461 27.740 -0.027 0.000 1.987 260 C HN 0.705 nan 8.230 nan 0.000 0.492 261 A N -0.416 122.425 122.820 0.035 0.000 1.930 261 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 261 A C 2.129 179.741 177.584 0.048 0.000 1.175 261 A CA 1.652 53.707 52.037 0.029 0.000 0.627 261 A CB -0.958 18.061 19.000 0.031 0.000 0.815 261 A HN 0.780 nan 8.150 nan 0.000 0.443 262 H N -0.028 119.045 119.070 0.005 0.000 2.321 262 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 262 H C 2.284 177.612 175.328 0.000 0.000 1.087 262 H CA 1.853 57.904 56.048 0.006 0.000 1.319 262 H CB -0.180 29.587 29.762 0.009 0.000 1.379 262 H HN 0.502 nan 8.280 nan 0.000 0.501 263 R N 0.333 120.924 120.500 0.152 0.000 2.081 263 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 263 R C 2.398 178.701 176.300 0.004 0.000 1.131 263 R CA 1.352 57.504 56.100 0.087 0.000 0.960 263 R CB -0.279 30.064 30.300 0.072 0.000 0.856 263 R HN 0.335 nan 8.270 nan 0.000 0.436 264 A N 0.165 122.983 122.820 -0.004 0.000 1.929 264 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 264 A C 2.122 179.683 177.584 -0.038 0.000 1.176 264 A CA 1.488 53.514 52.037 -0.018 0.000 0.628 264 A CB -0.336 18.656 19.000 -0.014 0.000 0.816 264 A HN 0.515 nan 8.150 nan 0.000 0.444 265 A N -2.414 120.367 122.820 -0.065 0.000 2.169 265 A HA 0.427 4.747 4.320 -0.000 0.000 0.210 265 A C 1.931 179.435 177.584 -0.133 0.000 1.168 265 A CA 1.212 53.201 52.037 -0.080 0.000 0.813 265 A CB -0.585 18.376 19.000 -0.066 0.000 0.861 265 A HN 1.799 nan 8.150 nan 0.000 0.481 266 G N -1.558 107.110 108.800 -0.221 0.000 2.184 266 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.264 266 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.264 266 G C 0.040 174.702 174.900 -0.397 0.000 0.975 266 G CA 0.899 45.840 45.100 -0.265 0.000 0.642 266 G HN 0.756 nan 8.290 nan 0.000 0.536 267 E N -1.643 118.306 120.200 -0.419 0.000 2.407 267 E HA 0.815 5.165 4.350 -0.000 0.000 0.279 267 E C -1.529 174.965 176.600 -0.177 0.000 1.012 267 E CA -0.658 55.570 56.400 -0.286 0.000 0.800 267 E CB 1.802 31.436 29.700 -0.110 0.000 1.276 267 E HN 0.768 nan 8.360 nan 0.000 0.452 268 L N 1.710 122.934 121.223 0.002 0.000 2.549 268 L HA 0.560 4.900 4.340 -0.000 0.000 0.259 268 L C -1.881 175.048 176.870 0.098 0.000 0.934 268 L CA -0.376 54.513 54.840 0.081 0.000 0.865 268 L CB 2.224 44.396 42.059 0.189 0.000 1.352 268 L HN 0.451 nan 8.230 nan 0.000 0.410 269 D N 2.119 122.566 120.400 0.079 0.000 2.217 269 D HA 0.737 5.377 4.640 -0.000 0.000 0.243 269 D C -0.540 175.819 176.300 0.098 0.000 1.054 269 D CA 0.152 54.199 54.000 0.078 0.000 0.838 269 D CB 2.014 42.844 40.800 0.050 0.000 1.162 269 D HN 0.673 nan 8.370 nan 0.000 0.472 270 T N -1.853 112.783 114.554 0.137 0.000 2.906 270 T HA 0.743 5.093 4.350 -0.000 0.000 0.295 270 T C -0.752 174.030 174.700 0.137 0.000 1.075 270 T CA -0.956 61.260 62.100 0.192 0.000 1.005 270 T CB 1.828 70.875 68.868 0.298 0.000 1.136 270 T HN 0.135 nan 8.240 nan 0.000 0.498 271 V N 0.749 120.724 119.914 0.101 0.000 2.851 271 V HA 0.729 4.849 4.120 -0.000 0.000 0.307 271 V C -1.324 174.814 176.094 0.073 0.000 1.129 271 V CA -0.318 61.950 62.300 -0.054 0.000 0.932 271 V CB 2.356 34.147 31.823 -0.053 0.000 1.024 271 V HN 1.216 nan 8.190 nan 0.000 0.426 272 S N 7.129 122.864 115.700 0.058 0.000 2.526 272 S HA 0.696 5.166 4.470 -0.000 0.000 0.293 272 S C -0.693 174.067 174.600 0.265 0.000 1.092 272 S CA -0.538 57.805 58.200 0.238 0.000 0.980 272 S CB 1.771 65.251 63.200 0.467 0.000 1.048 272 S HN 0.874 nan 8.310 nan 0.000 0.483 273 M N 2.343 122.084 119.600 0.233 0.000 2.508 273 M HA 0.736 5.216 4.480 -0.000 0.000 0.327 273 M C -0.382 176.014 176.300 0.160 0.000 1.160 273 M CA -0.306 55.120 55.300 0.211 0.000 0.980 273 M CB 1.640 34.272 32.600 0.053 0.000 1.693 273 M HN 0.849 nan 8.290 nan 0.000 0.452 274 G N 1.158 110.056 108.800 0.162 0.000 2.694 274 G HA2 0.721 4.681 3.960 -0.000 0.000 0.290 274 G HA3 0.721 4.681 3.960 -0.000 0.000 0.290 274 G C -1.093 173.801 174.900 -0.009 0.000 1.386 274 G CA -0.441 44.586 45.100 -0.122 0.000 0.872 274 G HN 0.785 nan 8.290 nan 0.000 0.475 275 T N -2.808 111.710 114.554 -0.061 0.000 2.807 275 T HA 0.508 4.858 4.350 -0.000 0.000 0.277 275 T C 0.307 175.001 174.700 -0.011 0.000 1.006 275 T CA 0.105 62.196 62.100 -0.015 0.000 1.006 275 T CB 1.793 70.648 68.868 -0.021 0.000 1.274 275 T HN 0.385 nan 8.240 nan 0.000 0.569 276 D N -0.830 119.572 120.400 0.003 0.000 2.349 276 D HA 0.128 4.768 4.640 -0.000 0.000 0.224 276 D C 1.363 177.661 176.300 -0.004 0.000 1.029 276 D CA 0.171 54.176 54.000 0.008 0.000 0.879 276 D CB -0.324 40.486 40.800 0.016 0.000 0.906 276 D HN 0.497 nan 8.370 nan 0.000 0.528 277 T N -1.063 113.481 114.554 -0.015 0.000 3.033 277 T HA 0.165 4.514 4.350 -0.000 0.000 0.248 277 T C 0.683 175.360 174.700 -0.038 0.000 1.040 277 T CA 0.779 62.869 62.100 -0.018 0.000 1.133 277 T CB 0.170 69.032 68.868 -0.009 0.000 0.895 277 T HN 0.387 nan 8.240 nan 0.000 0.465 278 S N 1.291 116.950 115.700 -0.069 0.000 2.627 278 S HA 0.602 5.072 4.470 -0.000 0.000 0.268 278 S C -1.888 172.589 174.600 -0.206 0.000 1.130 278 S CA -1.067 57.067 58.200 -0.109 0.000 0.819 278 S CB 1.924 65.076 63.200 -0.080 0.000 1.100 278 S HN 0.528 nan 8.310 nan 0.000 0.465 279 N N -0.765 117.761 118.700 -0.290 0.000 3.185 279 N HA 0.405 5.145 4.740 -0.000 0.000 0.238 279 N C -1.740 173.533 175.510 -0.396 0.000 1.451 279 N CA -0.903 51.829 53.050 -0.531 0.000 0.888 279 N CB 0.824 38.587 38.487 -1.207 0.000 1.413 279 N HN 0.678 nan 8.380 nan 0.000 0.511 280 E N -0.439 119.535 120.200 -0.377 0.000 3.157 280 E HA 0.237 4.587 4.350 -0.000 0.000 0.203 280 E C -0.175 176.438 176.600 0.022 0.000 0.982 280 E CA -0.326 55.996 56.400 -0.131 0.000 1.217 280 E CB -0.042 29.625 29.700 -0.055 0.000 1.123 280 E HN 0.364 nan 8.360 nan 0.000 0.457 281 F N 1.067 121.042 119.950 0.041 0.000 2.126 281 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 281 F C 2.493 178.313 175.800 0.033 0.000 1.096 281 F CA 1.168 59.207 58.000 0.064 0.000 1.255 281 F CB -0.540 38.500 39.000 0.067 0.000 0.997 281 F HN 0.149 nan 8.300 nan 0.000 0.479 282 R N 0.617 121.239 120.500 0.203 0.000 2.073 282 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 282 R C 2.005 178.339 176.300 0.057 0.000 1.134 282 R CA 1.890 58.053 56.100 0.105 0.000 0.952 282 R CB -0.194 30.147 30.300 0.069 0.000 0.850 282 R HN 0.210 nan 8.270 nan 0.000 0.433 283 E N 0.240 120.466 120.200 0.044 0.000 2.051 283 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 283 E C 1.861 178.466 176.600 0.008 0.000 0.991 283 E CA 1.634 58.043 56.400 0.015 0.000 0.799 283 E CB -0.244 29.459 29.700 0.005 0.000 0.748 283 E HN 0.456 nan 8.360 nan 0.000 0.449 284 A N 0.858 123.697 122.820 0.033 0.000 1.930 284 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 284 A C 2.113 179.626 177.584 -0.118 0.000 1.175 284 A CA 1.681 53.710 52.037 -0.015 0.000 0.627 284 A CB -0.418 18.618 19.000 0.060 0.000 0.815 284 A HN 0.058 nan 8.150 nan 0.000 0.443 285 R N 0.460 120.913 120.500 -0.078 0.000 2.105 285 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 285 R C 2.078 178.334 176.300 -0.074 0.000 1.135 285 R CA 1.960 57.996 56.100 -0.107 0.000 0.967 285 R CB -0.930 29.362 30.300 -0.013 0.000 0.861 285 R HN 0.406 nan 8.270 nan 0.000 0.442 286 A N -0.514 122.282 122.820 -0.040 0.000 1.908 286 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 286 A C 2.311 179.882 177.584 -0.023 0.000 1.181 286 A CA 1.903 53.924 52.037 -0.028 0.000 0.627 286 A CB -0.619 18.361 19.000 -0.033 0.000 0.818 286 A HN 0.203 nan 8.150 nan 0.000 0.445 287 V N -0.766 119.122 119.914 -0.044 0.000 2.488 287 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 287 V C 2.529 178.606 176.094 -0.028 0.000 1.046 287 V CA 1.514 63.801 62.300 -0.022 0.000 1.053 287 V CB -0.449 31.354 31.823 -0.033 0.000 0.679 287 V HN 0.354 nan 8.190 nan 0.000 0.458 288 V N 0.473 120.322 119.914 -0.109 0.000 2.332 288 V HA -0.289 3.830 4.120 -0.000 0.000 0.248 288 V C 2.242 178.303 176.094 -0.054 0.000 1.055 288 V CA 2.370 64.591 62.300 -0.132 0.000 1.038 288 V CB -0.586 31.057 31.823 -0.301 0.000 0.651 288 V HN 0.597 nan 8.190 nan 0.000 0.450 289 D N -1.565 118.815 120.400 -0.033 0.000 2.162 289 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 289 D C 2.022 178.320 176.300 -0.002 0.000 0.967 289 D CA 1.289 55.283 54.000 -0.010 0.000 0.840 289 D CB -0.232 40.568 40.800 0.001 0.000 0.972 289 D HN 0.591 nan 8.370 nan 0.000 0.482 290 H N 0.593 119.617 119.070 -0.076 0.000 2.387 290 H HA 0.018 4.574 4.556 -0.000 0.000 0.299 290 H C 1.827 177.076 175.328 -0.132 0.000 1.090 290 H CA 1.294 57.291 56.048 -0.085 0.000 1.332 290 H CB -0.066 29.648 29.762 -0.079 0.000 1.386 290 H HN 0.046 nan 8.280 nan 0.000 0.516 291 L N -0.728 120.400 121.223 -0.158 0.000 2.590 291 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 291 L C 0.658 177.375 176.870 -0.256 0.000 1.099 291 L CA 0.100 54.714 54.840 -0.377 0.000 0.872 291 L CB 0.210 42.050 42.059 -0.365 0.000 1.088 291 L HN 0.162 nan 8.230 nan 0.000 0.479 292 R N 2.406 122.845 120.500 -0.101 0.000 2.877 292 R HA -0.151 4.189 4.340 -0.000 0.000 0.275 292 R C -0.256 176.076 176.300 0.053 0.000 0.924 292 R CA 0.716 56.806 56.100 -0.017 0.000 0.715 292 R CB -1.036 29.259 30.300 -0.009 0.000 1.761 292 R HN 0.473 nan 8.270 nan 0.000 0.498 293 T N -0.710 113.879 114.554 0.058 0.000 2.948 293 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 293 T C 0.077 174.838 174.700 0.101 0.000 1.019 293 T CA -1.145 61.020 62.100 0.109 0.000 1.013 293 T CB 1.795 70.734 68.868 0.119 0.000 1.117 293 T HN 0.352 nan 8.240 nan 0.000 0.533 294 R N 1.649 122.210 120.500 0.103 0.000 2.248 294 R HA 0.232 4.572 4.340 -0.000 0.000 0.337 294 R C -1.148 175.227 176.300 0.125 0.000 1.106 294 R CA -0.220 55.932 56.100 0.087 0.000 0.959 294 R CB -1.053 29.281 30.300 0.057 0.000 1.075 294 R HN 0.907 nan 8.270 nan 0.000 0.480 295 H N 2.788 121.862 119.070 0.006 0.000 2.502 295 H HA 0.505 5.061 4.556 -0.000 0.000 0.338 295 H C -0.812 174.498 175.328 -0.030 0.000 1.155 295 H CA -0.485 55.559 56.048 -0.005 0.000 1.237 295 H CB 0.975 30.733 29.762 -0.006 0.000 1.534 295 H HN 0.576 nan 8.280 nan 0.000 0.523 296 R N 2.545 122.630 120.500 -0.693 0.000 2.621 296 R HA 0.311 4.651 4.340 -0.000 0.000 0.284 296 R C -1.311 174.586 176.300 -0.672 0.000 0.998 296 R CA -0.659 55.143 56.100 -0.497 0.000 0.895 296 R CB 1.244 31.393 30.300 -0.251 0.000 1.195 296 R HN 0.736 nan 8.270 nan 0.000 0.450 297 E N 4.922 124.825 120.200 -0.495 0.000 2.158 297 E HA 0.377 4.726 4.350 -0.000 0.000 0.271 297 E C -0.668 175.745 176.600 -0.311 0.000 0.911 297 E CA -0.610 55.464 56.400 -0.544 0.000 0.767 297 E CB 2.235 31.344 29.700 -0.985 0.000 1.120 297 E HN 0.418 nan 8.360 nan 0.000 0.405 298 I N 2.296 122.803 120.570 -0.106 0.000 2.389 298 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 298 I C -0.423 175.784 176.117 0.151 0.000 0.999 298 I CA -0.577 60.722 61.300 -0.001 0.000 1.129 298 I CB 2.044 40.041 38.000 -0.005 0.000 1.288 298 I HN 0.363 nan 8.210 nan 0.000 0.444 299 T N 7.144 121.776 114.554 0.129 0.000 2.770 299 T HA 0.612 4.962 4.350 -0.000 0.000 0.283 299 T C -0.188 174.559 174.700 0.077 0.000 0.988 299 T CA -0.301 61.902 62.100 0.171 0.000 0.957 299 T CB 1.002 69.989 68.868 0.199 0.000 0.930 299 T HN 0.270 nan 8.240 nan 0.000 0.443 300 I N 4.893 125.496 120.570 0.055 0.000 2.433 300 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 300 I C -2.375 173.752 176.117 0.016 0.000 1.001 300 I CA -2.888 58.425 61.300 0.022 0.000 1.119 300 I CB 2.110 40.112 38.000 0.003 0.000 1.289 300 I HN 0.295 nan 8.210 nan 0.000 0.438 301 P HA 0.055 nan 4.420 nan 0.000 0.266 301 P C 0.699 178.002 177.300 0.006 0.000 1.195 301 P CA 0.068 63.175 63.100 0.011 0.000 0.768 301 P CB 0.564 32.270 31.700 0.010 0.000 0.838 302 T N 0.529 115.088 114.554 0.009 0.000 2.737 302 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 302 T C 1.827 176.532 174.700 0.008 0.000 1.040 302 T CA 2.207 64.312 62.100 0.009 0.000 1.142 302 T CB -0.679 68.199 68.868 0.016 0.000 0.861 302 T HN 0.522 nan 8.240 nan 0.000 0.456 303 T N 0.688 115.249 114.554 0.011 0.000 2.788 303 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 303 T C 1.921 176.622 174.700 0.001 0.000 1.044 303 T CA 1.701 63.808 62.100 0.012 0.000 1.139 303 T CB -0.210 68.668 68.868 0.016 0.000 0.867 303 T HN 0.398 nan 8.240 nan 0.000 0.454 304 E N -0.007 120.190 120.200 -0.006 0.000 2.216 304 E HA 0.060 4.410 4.350 -0.000 0.000 0.192 304 E C 1.875 178.457 176.600 -0.030 0.000 0.988 304 E CA 0.374 56.763 56.400 -0.018 0.000 0.834 304 E CB -0.541 29.147 29.700 -0.021 0.000 0.772 304 E HN 0.445 nan 8.360 nan 0.000 0.479 305 L N -0.025 121.183 121.223 -0.025 0.000 2.056 305 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 305 L C 1.831 178.670 176.870 -0.051 0.000 1.078 305 L CA 1.324 56.144 54.840 -0.034 0.000 0.749 305 L CB -0.286 41.759 42.059 -0.023 0.000 0.901 305 L HN 0.239 nan 8.230 nan 0.000 0.433 306 L N -0.587 120.606 121.223 -0.049 0.000 2.156 306 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 306 L C 2.568 179.395 176.870 -0.072 0.000 1.095 306 L CA 1.488 56.276 54.840 -0.087 0.000 0.770 306 L CB -1.901 40.128 42.059 -0.050 0.000 0.914 306 L HN 0.367 nan 8.230 nan 0.000 0.439 307 A N -0.876 121.927 122.820 -0.028 0.000 2.225 307 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 307 A C 1.969 179.583 177.584 0.050 0.000 1.164 307 A CA 0.846 52.887 52.037 0.007 0.000 0.710 307 A CB -0.236 18.770 19.000 0.009 0.000 0.780 307 A HN 0.412 nan 8.150 nan 0.000 0.473 308 Q N -0.519 119.287 119.800 0.010 0.000 2.432 308 Q HA 0.112 4.452 4.340 -0.000 0.000 0.205 308 Q C 1.842 177.894 176.000 0.086 0.000 0.945 308 Q CA 0.251 56.092 55.803 0.063 0.000 0.924 308 Q CB -0.382 28.354 28.738 -0.004 0.000 1.016 308 Q HN 0.726 nan 8.270 nan 0.000 0.503 309 L N 1.624 122.830 121.223 -0.029 0.000 2.010 309 L HA -0.233 4.106 4.340 -0.000 0.000 0.219 309 L C -0.392 176.469 176.870 -0.014 0.000 1.077 309 L CA 2.073 56.856 54.840 -0.096 0.000 0.773 309 L CB -1.692 40.242 42.059 -0.209 0.000 0.892 309 L HN 0.207 nan 8.230 nan 0.000 0.436 310 P HA -0.173 nan 4.420 nan 0.000 0.222 310 P C 1.187 178.435 177.300 -0.086 0.000 1.153 310 P CA 1.487 64.538 63.100 -0.082 0.000 0.798 310 P CB -0.019 31.569 31.700 -0.187 0.000 0.796 311 Y N 0.929 121.222 120.300 -0.011 0.000 2.263 311 Y HA 0.015 4.565 4.550 -0.000 0.000 0.292 311 Y C 2.912 178.920 175.900 0.180 0.000 1.130 311 Y CA 1.377 59.540 58.100 0.106 0.000 1.179 311 Y CB -1.267 37.237 38.460 0.074 0.000 0.998 311 Y HN -0.049 nan 8.280 nan 0.000 0.532 312 A N -0.596 122.366 122.820 0.238 0.000 1.930 312 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 312 A C 2.310 179.971 177.584 0.129 0.000 1.175 312 A CA 1.761 53.889 52.037 0.152 0.000 0.627 312 A CB -1.064 17.986 19.000 0.083 0.000 0.815 312 A HN 0.240 nan 8.150 nan 0.000 0.443 313 V N -2.139 117.850 119.914 0.124 0.000 2.379 313 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 313 V C 2.178 178.354 176.094 0.137 0.000 1.044 313 V CA 1.710 64.092 62.300 0.137 0.000 1.036 313 V CB -0.955 30.945 31.823 0.129 0.000 0.664 313 V HN 0.869 nan 8.190 nan 0.000 0.453 314 W N 1.264 122.498 121.300 -0.110 0.000 2.338 314 W HA -0.202 4.458 4.660 -0.000 0.000 0.304 314 W C 2.394 178.846 176.519 -0.113 0.000 1.212 314 W CA 2.195 59.432 57.345 -0.180 0.000 1.264 314 W CB -0.385 28.913 29.460 -0.271 0.000 1.142 314 W HN 0.186 nan 8.180 nan 0.000 0.512 315 A N -0.207 122.611 122.820 -0.004 0.000 1.874 315 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 315 A C 2.124 179.641 177.584 -0.112 0.000 1.189 315 A CA 2.319 54.250 52.037 -0.177 0.000 0.615 315 A CB -1.340 17.652 19.000 -0.014 0.000 0.830 315 A HN 0.345 nan 8.150 nan 0.000 0.443 316 S N -1.224 114.469 115.700 -0.012 0.000 2.446 316 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 316 S C 0.612 175.246 174.600 0.055 0.000 1.016 316 S CA 0.912 59.118 58.200 0.010 0.000 0.943 316 S CB -0.317 62.903 63.200 0.034 0.000 0.786 316 S HN 0.570 nan 8.310 nan 0.000 0.508 317 E N 0.560 120.803 120.200 0.072 0.000 2.586 317 E HA -0.162 4.188 4.350 -0.000 0.000 0.259 317 E C -0.353 176.463 176.600 0.359 0.000 1.107 317 E CA 0.603 57.108 56.400 0.176 0.000 0.754 317 E CB -1.846 27.876 29.700 0.037 0.000 1.335 317 E HN 0.516 nan 8.360 nan 0.000 0.411 318 S N -0.373 115.473 115.700 0.244 0.000 2.565 318 S HA 0.474 4.944 4.470 -0.000 0.000 0.290 318 S C 0.775 175.434 174.600 0.097 0.000 1.150 318 S CA -0.153 58.130 58.200 0.138 0.000 1.058 318 S CB 1.814 65.065 63.200 0.084 0.000 1.032 318 S HN 0.395 nan 8.310 nan 0.000 0.510 319 V N 0.561 120.442 119.914 -0.055 0.000 3.427 319 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 319 V C 0.350 176.409 176.094 -0.058 0.000 1.412 319 V CA -0.320 61.905 62.300 -0.125 0.000 1.086 319 V CB -0.087 31.543 31.823 -0.321 0.000 0.964 319 V HN 0.785 nan 8.190 nan 0.000 0.439 320 D N 1.950 122.341 120.400 -0.015 0.000 2.339 320 D HA 0.271 4.911 4.640 -0.000 0.000 0.241 320 D C -1.743 174.565 176.300 0.014 0.000 1.183 320 D CA -1.532 52.470 54.000 0.003 0.000 0.859 320 D CB 2.410 43.228 40.800 0.031 0.000 1.067 320 D HN 0.105 nan 8.370 nan 0.000 0.484 321 P HA -0.127 nan 4.420 nan 0.000 0.216 321 P C 0.679 177.984 177.300 0.008 0.000 1.153 321 P CA 0.901 64.023 63.100 0.037 0.000 0.858 321 P CB 0.422 32.098 31.700 -0.039 0.000 0.789 322 D N -1.010 119.372 120.400 -0.031 0.000 2.117 322 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 322 D C 1.920 177.920 176.300 -0.500 0.000 0.987 322 D CA 0.977 54.841 54.000 -0.227 0.000 0.829 322 D CB -0.646 40.093 40.800 -0.101 0.000 0.961 322 D HN 0.074 nan 8.370 nan 0.000 0.460 323 I N 1.018 121.505 120.570 -0.139 0.000 2.252 323 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 323 I C 2.286 178.420 176.117 0.028 0.000 1.102 323 I CA 0.587 61.925 61.300 0.062 0.000 1.385 323 I CB -0.717 37.364 38.000 0.136 0.000 1.064 323 I HN 0.027 nan 8.210 nan 0.000 0.414 324 I N 0.960 121.528 120.570 -0.003 0.000 2.264 324 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 324 I C 2.449 178.551 176.117 -0.026 0.000 1.111 324 I CA 1.371 62.675 61.300 0.007 0.000 1.382 324 I CB -1.035 36.975 38.000 0.016 0.000 1.060 324 I HN 0.362 nan 8.210 nan 0.000 0.418 325 E N -0.126 120.029 120.200 -0.075 0.000 2.072 325 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 325 E C 2.316 178.920 176.600 0.007 0.000 0.985 325 E CA 1.068 57.432 56.400 -0.061 0.000 0.801 325 E CB -0.210 29.454 29.700 -0.060 0.000 0.750 325 E HN 0.548 nan 8.360 nan 0.000 0.452 326 Y N 0.844 121.188 120.300 0.073 0.000 2.165 326 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 326 Y C 2.287 178.223 175.900 0.060 0.000 1.155 326 Y CA 0.390 58.538 58.100 0.081 0.000 1.164 326 Y CB -0.125 38.414 38.460 0.131 0.000 0.978 326 Y HN 0.007 nan 8.280 nan 0.000 0.513 327 L N -0.329 121.010 121.223 0.194 0.000 2.478 327 L HA -0.150 4.190 4.340 -0.000 0.000 0.223 327 L C 2.003 178.900 176.870 0.044 0.000 1.140 327 L CA 0.323 55.220 54.840 0.095 0.000 0.842 327 L CB -0.450 41.649 42.059 0.067 0.000 0.953 327 L HN 0.345 nan 8.230 nan 0.000 0.452 328 L N 0.618 121.856 121.223 0.024 0.000 1.989 328 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 328 L C 0.100 176.956 176.870 -0.024 0.000 1.071 328 L CA 1.642 56.474 54.840 -0.013 0.000 0.749 328 L CB -2.018 40.011 42.059 -0.049 0.000 0.890 328 L HN 0.259 nan 8.230 nan 0.000 0.431 329 P HA -0.179 nan 4.420 nan 0.000 0.216 329 P C 1.974 179.203 177.300 -0.119 0.000 1.153 329 P CA 1.544 64.617 63.100 -0.046 0.000 0.848 329 P CB 0.040 31.730 31.700 -0.017 0.000 0.787 330 L N -0.609 120.531 121.223 -0.138 0.000 2.046 330 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 330 L C 2.645 179.242 176.870 -0.455 0.000 1.077 330 L CA 2.013 56.637 54.840 -0.360 0.000 0.747 330 L CB -1.622 40.324 42.059 -0.188 0.000 0.896 330 L HN 0.035 nan 8.230 nan 0.000 0.432 331 T N -0.210 114.276 114.554 -0.112 0.000 2.777 331 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 331 T C 2.027 176.713 174.700 -0.023 0.000 1.040 331 T CA 1.237 63.359 62.100 0.037 0.000 1.141 331 T CB -0.225 68.692 68.868 0.081 0.000 0.868 331 T HN 0.440 nan 8.240 nan 0.000 0.444 332 A N 1.378 124.153 122.820 -0.075 0.000 1.902 332 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 332 A C 2.237 179.774 177.584 -0.079 0.000 1.181 332 A CA 1.269 53.261 52.037 -0.075 0.000 0.623 332 A CB -0.808 18.152 19.000 -0.066 0.000 0.818 332 A HN 0.391 nan 8.150 nan 0.000 0.443 333 L N -1.205 119.923 121.223 -0.159 0.000 1.994 333 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 333 L C 2.330 179.153 176.870 -0.078 0.000 1.071 333 L CA 2.013 56.750 54.840 -0.172 0.000 0.745 333 L CB -1.088 40.789 42.059 -0.303 0.000 0.892 333 L HN 0.464 nan 8.230 nan 0.000 0.431 334 Y N 0.216 120.530 120.300 0.024 0.000 2.165 334 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 334 Y C 2.768 178.744 175.900 0.127 0.000 1.155 334 Y CA 1.600 59.743 58.100 0.071 0.000 1.164 334 Y CB -0.836 37.676 38.460 0.087 0.000 0.978 334 Y HN 0.207 nan 8.280 nan 0.000 0.513 335 R N -0.510 120.115 120.500 0.209 0.000 2.148 335 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 335 R C 2.260 178.611 176.300 0.084 0.000 1.088 335 R CA 0.877 57.048 56.100 0.119 0.000 0.985 335 R CB -0.328 29.976 30.300 0.007 0.000 0.880 335 R HN 0.282 nan 8.270 nan 0.000 0.451 336 A N 0.813 123.668 122.820 0.058 0.000 2.178 336 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 336 A C 0.798 178.413 177.584 0.052 0.000 1.157 336 A CA -0.047 52.010 52.037 0.034 0.000 0.780 336 A CB -0.026 18.975 19.000 0.002 0.000 0.828 336 A HN 0.087 nan 8.150 nan 0.000 0.476 337 L N 1.601 122.877 121.223 0.088 0.000 2.525 337 L HA 0.079 4.419 4.340 -0.000 0.000 0.278 337 L C -0.520 176.418 176.870 0.113 0.000 1.218 337 L CA 0.021 54.901 54.840 0.066 0.000 0.878 337 L CB 0.173 42.221 42.059 -0.017 0.000 1.127 337 L HN 0.278 nan 8.230 nan 0.000 0.492 338 D N 1.498 121.938 120.400 0.067 0.000 2.299 338 D HA 0.694 5.334 4.640 -0.000 0.000 0.243 338 D C 0.411 176.763 176.300 0.086 0.000 0.982 338 D CA 0.297 54.342 54.000 0.074 0.000 0.924 338 D CB 2.079 42.901 40.800 0.037 0.000 1.238 338 D HN 0.729 nan 8.370 nan 0.000 0.484 339 G N 0.976 109.829 108.800 0.089 0.000 2.526 339 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.250 339 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.250 339 G C -2.453 172.523 174.900 0.126 0.000 1.289 339 G CA -0.796 44.356 45.100 0.088 0.000 0.947 339 G HN 0.528 nan 8.290 nan 0.000 0.517 340 P HA 0.408 nan 4.420 nan 0.000 0.274 340 P C -0.142 177.288 177.300 0.218 0.000 1.256 340 P CA -0.204 62.975 63.100 0.131 0.000 0.795 340 P CB 0.471 32.230 31.700 0.099 0.000 1.038 341 E N 0.696 121.004 120.200 0.181 0.000 2.414 341 E HA 0.111 4.461 4.350 -0.000 0.000 0.263 341 E C 0.241 177.045 176.600 0.340 0.000 1.000 341 E CA 0.089 56.636 56.400 0.245 0.000 0.914 341 E CB 0.381 30.171 29.700 0.150 0.000 0.948 341 E HN 0.207 nan 8.360 nan 0.000 0.444 342 R N 1.957 122.771 120.500 0.523 0.000 2.892 342 R HA 0.405 4.745 4.340 -0.000 0.000 0.265 342 R C -0.372 176.084 176.300 0.259 0.000 1.025 342 R CA -1.044 55.214 56.100 0.263 0.000 0.982 342 R CB 1.317 31.672 30.300 0.092 0.000 1.185 342 R HN 0.486 nan 8.270 nan 0.000 0.484 343 R N 2.005 122.628 120.500 0.205 0.000 2.207 343 R HA 0.443 4.783 4.340 -0.000 0.000 0.334 343 R C -0.621 175.760 176.300 0.134 0.000 1.013 343 R CA -0.203 56.047 56.100 0.250 0.000 0.858 343 R CB 0.275 30.715 30.300 0.233 0.000 1.094 343 R HN 0.532 nan 8.270 nan 0.000 0.457 344 I N 5.360 125.969 120.570 0.065 0.000 2.474 344 I HA 0.303 4.473 4.170 -0.000 0.000 0.294 344 I C -0.879 175.200 176.117 -0.063 0.000 1.005 344 I CA -1.251 60.047 61.300 -0.003 0.000 1.113 344 I CB 1.825 39.810 38.000 -0.025 0.000 1.289 344 I HN 0.450 nan 8.210 nan 0.000 0.436 345 L N 5.066 126.278 121.223 -0.018 0.000 2.334 345 L HA 0.614 4.954 4.340 -0.000 0.000 0.276 345 L C 0.331 177.222 176.870 0.035 0.000 1.014 345 L CA -0.078 54.739 54.840 -0.039 0.000 0.815 345 L CB 2.026 44.069 42.059 -0.026 0.000 1.268 345 L HN 0.723 nan 8.230 nan 0.000 0.428 346 T N -1.669 112.932 114.554 0.078 0.000 2.907 346 T HA 0.649 4.999 4.350 -0.000 0.000 0.290 346 T C 0.524 175.385 174.700 0.268 0.000 1.066 346 T CA -0.220 62.009 62.100 0.216 0.000 1.012 346 T CB 1.766 70.859 68.868 0.375 0.000 1.184 346 T HN 0.580 nan 8.240 nan 0.000 0.522 347 G N -0.281 108.705 108.800 0.309 0.000 3.434 347 G HA2 0.202 4.162 3.960 -0.000 0.000 0.258 347 G HA3 0.202 4.162 3.960 -0.000 0.000 0.258 347 G C -0.166 174.963 174.900 0.380 0.000 1.128 347 G CA -0.478 44.891 45.100 0.449 0.000 0.792 347 G HN 0.740 nan 8.290 nan 0.000 0.539 348 Y N 0.759 121.191 120.300 0.221 0.000 2.597 348 Y HA 0.315 4.865 4.550 -0.000 0.000 0.336 348 Y C 1.562 177.486 175.900 0.040 0.000 1.216 348 Y CA 1.639 59.761 58.100 0.036 0.000 1.463 348 Y CB 0.968 39.356 38.460 -0.121 0.000 1.303 348 Y HN 0.290 nan 8.280 nan 0.000 0.576 349 G N 2.511 110.983 108.800 -0.547 0.000 2.225 349 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.254 349 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.254 349 G C 1.109 176.088 174.900 0.131 0.000 0.988 349 G CA 0.430 45.426 45.100 -0.173 0.000 0.625 349 G HN 1.281 nan 8.290 nan 0.000 0.527 350 A N 0.564 123.288 122.820 -0.160 0.000 1.972 350 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 350 A C 1.909 179.351 177.584 -0.237 0.000 1.169 350 A CA 2.201 53.976 52.037 -0.436 0.000 0.635 350 A CB -0.382 17.899 19.000 -1.197 0.000 0.810 350 A HN 0.495 nan 8.150 nan 0.000 0.446 351 D N -0.158 120.113 120.400 -0.214 0.000 2.264 351 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 351 D C 1.793 178.064 176.300 -0.049 0.000 0.966 351 D CA 0.943 54.857 54.000 -0.142 0.000 0.864 351 D CB -0.129 40.563 40.800 -0.179 0.000 0.933 351 D HN 0.565 nan 8.370 nan 0.000 0.499 352 I N 1.868 122.452 120.570 0.024 0.000 2.110 352 I HA -0.164 4.006 4.170 -0.000 0.000 0.236 352 I C -0.475 175.693 176.117 0.086 0.000 1.068 352 I CA 1.025 62.398 61.300 0.122 0.000 1.333 352 I CB -1.516 36.684 38.000 0.334 0.000 1.054 352 I HN -0.031 nan 8.210 nan 0.000 0.402 353 P HA -0.089 nan 4.420 nan 0.000 0.223 353 P C 1.572 178.862 177.300 -0.016 0.000 1.151 353 P CA 1.429 64.516 63.100 -0.021 0.000 0.787 353 P CB 0.088 31.724 31.700 -0.108 0.000 0.788 354 L N -1.323 119.886 121.223 -0.023 0.000 2.607 354 L HA 0.313 4.653 4.340 -0.000 0.000 0.228 354 L C 1.168 178.035 176.870 -0.005 0.000 1.123 354 L CA 0.365 55.193 54.840 -0.021 0.000 0.890 354 L CB -0.887 41.142 42.059 -0.051 0.000 1.103 354 L HN 0.025 nan 8.230 nan 0.000 0.468 355 G N 0.677 109.478 108.800 0.002 0.000 2.338 355 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.296 355 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.296 355 G C 0.991 175.918 174.900 0.045 0.000 1.040 355 G CA 0.258 45.372 45.100 0.024 0.000 1.004 355 G HN 0.498 nan 8.290 nan 0.000 0.509 356 G N -0.326 108.475 108.800 0.001 0.000 2.450 356 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.220 356 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.220 356 G C 1.642 176.549 174.900 0.012 0.000 1.130 356 G CA 1.455 46.546 45.100 -0.014 0.000 0.760 356 G HN 0.517 nan 8.290 nan 0.000 0.557 357 M N 0.243 119.860 119.600 0.028 0.000 2.595 357 M HA 0.167 4.647 4.480 -0.000 0.000 0.248 357 M C 0.515 176.857 176.300 0.070 0.000 1.119 357 M CA -0.314 55.007 55.300 0.036 0.000 1.079 357 M CB -0.849 31.774 32.600 0.037 0.000 1.472 357 M HN 0.249 nan 8.290 nan 0.000 0.501 358 H N 1.468 120.539 119.070 0.002 0.000 2.929 358 H HA 0.142 4.698 4.556 -0.000 0.000 0.317 358 H C 0.667 175.998 175.328 0.005 0.000 1.031 358 H CA 0.983 57.035 56.048 0.006 0.000 1.466 358 H CB 0.507 30.275 29.762 0.010 0.000 1.482 358 H HN 0.084 nan 8.280 nan 0.000 0.561 359 R N 3.189 123.451 120.500 -0.396 0.000 2.472 359 R HA 0.136 4.476 4.340 -0.000 0.000 0.279 359 R C -0.338 175.787 176.300 -0.291 0.000 0.953 359 R CA -0.022 55.927 56.100 -0.252 0.000 1.088 359 R CB 0.686 30.898 30.300 -0.146 0.000 1.197 359 R HN 0.648 nan 8.270 nan 0.000 0.536 360 E N -0.353 119.522 120.200 -0.541 0.000 2.263 360 E HA 0.144 4.494 4.350 -0.000 0.000 0.264 360 E C -0.519 176.047 176.600 -0.055 0.000 0.923 360 E CA -0.474 55.775 56.400 -0.252 0.000 0.802 360 E CB 1.496 31.070 29.700 -0.209 0.000 1.228 360 E HN -0.104 nan 8.360 nan 0.000 0.417 361 D N -0.017 120.385 120.400 0.003 0.000 2.277 361 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 361 D C -0.060 176.283 176.300 0.073 0.000 0.962 361 D CA 0.521 54.545 54.000 0.039 0.000 0.865 361 D CB 0.349 41.151 40.800 0.003 0.000 0.939 361 D HN -0.063 nan 8.370 nan 0.000 0.510 362 R N 1.160 121.711 120.500 0.085 0.000 2.449 362 R HA 0.127 4.467 4.340 -0.000 0.000 0.296 362 R C 1.018 177.417 176.300 0.165 0.000 1.047 362 R CA 0.062 56.215 56.100 0.087 0.000 1.018 362 R CB 0.657 30.995 30.300 0.063 0.000 0.962 362 R HN 0.263 nan 8.270 nan 0.000 0.428 363 L N 4.572 125.828 121.223 0.055 0.000 2.307 363 L HA 0.036 4.375 4.340 -0.000 0.000 0.211 363 L C -0.773 176.054 176.870 -0.072 0.000 1.099 363 L CA 0.204 55.026 54.840 -0.031 0.000 0.816 363 L CB -1.099 40.930 42.059 -0.050 0.000 0.952 363 L HN 0.380 nan 8.230 nan 0.000 0.455 364 P HA -0.274 nan 4.420 nan 0.000 0.217 364 P C 1.601 178.884 177.300 -0.029 0.000 1.162 364 P CA 2.133 65.221 63.100 -0.020 0.000 0.901 364 P CB 0.026 31.728 31.700 0.003 0.000 0.793 365 A N -1.155 121.677 122.820 0.020 0.000 2.019 365 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 365 A C 2.216 179.758 177.584 -0.069 0.000 1.164 365 A CA 1.260 53.326 52.037 0.049 0.000 0.644 365 A CB -1.616 17.498 19.000 0.191 0.000 0.805 365 A HN 0.197 nan 8.150 nan 0.000 0.449 366 L N -0.842 120.149 121.223 -0.387 0.000 2.027 366 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 366 L C 1.858 178.615 176.870 -0.188 0.000 1.074 366 L CA 2.001 56.521 54.840 -0.534 0.000 0.745 366 L CB -0.315 41.267 42.059 -0.795 0.000 0.898 366 L HN 0.293 nan 8.230 nan 0.000 0.433 367 D N -0.980 119.341 120.400 -0.132 0.000 2.224 367 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 367 D C 2.041 178.334 176.300 -0.011 0.000 0.965 367 D CA 1.502 55.469 54.000 -0.055 0.000 0.852 367 D CB 0.179 40.952 40.800 -0.045 0.000 0.947 367 D HN 0.377 nan 8.370 nan 0.000 0.494 368 T N 0.349 114.898 114.554 -0.008 0.000 2.737 368 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 368 T C 2.224 176.963 174.700 0.065 0.000 1.038 368 T CA 0.663 62.777 62.100 0.024 0.000 1.144 368 T CB -0.143 68.732 68.868 0.012 0.000 0.866 368 T HN -0.026 nan 8.240 nan 0.000 0.434 369 V N 1.585 121.535 119.914 0.060 0.000 2.453 369 V HA -0.063 4.057 4.120 -0.000 0.000 0.247 369 V C 2.347 178.522 176.094 0.136 0.000 1.048 369 V CA 1.067 63.434 62.300 0.113 0.000 1.049 369 V CB -0.629 31.254 31.823 0.099 0.000 0.672 369 V HN 0.325 nan 8.190 nan 0.000 0.457 370 L N 1.340 122.610 121.223 0.077 0.000 1.994 370 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 370 L C 2.456 179.385 176.870 0.098 0.000 1.071 370 L CA 2.543 57.427 54.840 0.073 0.000 0.745 370 L CB -1.064 41.010 42.059 0.025 0.000 0.892 370 L HN 0.194 nan 8.230 nan 0.000 0.431 371 A N -1.441 121.431 122.820 0.087 0.000 1.933 371 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 371 A C 2.292 179.954 177.584 0.131 0.000 1.175 371 A CA 1.841 53.932 52.037 0.090 0.000 0.628 371 A CB -1.089 17.951 19.000 0.067 0.000 0.814 371 A HN 0.779 nan 8.150 nan 0.000 0.444 372 H N 0.014 119.126 119.070 0.071 0.000 2.326 372 H HA -0.086 4.470 4.556 -0.000 0.000 0.301 372 H C 1.527 176.931 175.328 0.127 0.000 1.081 372 H CA 1.862 57.959 56.048 0.082 0.000 1.334 372 H CB -0.130 29.671 29.762 0.066 0.000 1.385 372 H HN 0.364 nan 8.280 nan 0.000 0.504 373 D N -0.113 120.341 120.400 0.090 0.000 2.123 373 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 373 D C 1.956 178.392 176.300 0.227 0.000 0.992 373 D CA 1.028 55.094 54.000 0.110 0.000 0.833 373 D CB -0.111 40.797 40.800 0.180 0.000 0.954 373 D HN 0.387 nan 8.370 nan 0.000 0.455 374 M N 0.022 119.765 119.600 0.239 0.000 2.394 374 M HA 0.041 4.521 4.480 -0.000 0.000 0.264 374 M C 1.835 178.371 176.300 0.394 0.000 1.073 374 M CA 0.450 55.975 55.300 0.376 0.000 1.111 374 M CB -0.730 31.996 32.600 0.210 0.000 1.401 374 M HN -0.061 nan 8.290 nan 0.000 0.448 375 A N -0.323 122.590 122.820 0.154 0.000 2.275 375 A HA 0.105 4.425 4.320 -0.000 0.000 0.212 375 A C 1.633 179.182 177.584 -0.057 0.000 1.201 375 A CA 1.144 53.209 52.037 0.048 0.000 0.843 375 A CB -0.538 18.472 19.000 0.016 0.000 0.873 375 A HN 0.511 nan 8.150 nan 0.000 0.492 376 T N -3.963 110.557 114.554 -0.057 0.000 3.209 376 T HA 0.181 4.530 4.350 -0.000 0.000 0.295 376 T C 1.030 175.700 174.700 -0.049 0.000 0.977 376 T CA 0.321 62.346 62.100 -0.126 0.000 0.922 376 T CB -0.975 67.744 68.868 -0.248 0.000 1.152 376 T HN 0.426 nan 8.240 nan 0.000 0.527 377 F N 1.247 121.229 119.950 0.055 0.000 2.325 377 F HA 0.305 4.832 4.527 -0.000 0.000 0.299 377 F C 0.509 176.327 175.800 0.030 0.000 1.090 377 F CA -0.495 57.541 58.000 0.060 0.000 1.392 377 F CB -0.695 38.391 39.000 0.144 0.000 1.053 377 F HN 0.017 nan 8.300 nan 0.000 0.521 378 D N 0.926 120.823 120.400 -0.838 0.000 2.434 378 D HA 0.341 4.981 4.640 -0.000 0.000 0.252 378 D C 1.215 177.391 176.300 -0.206 0.000 1.185 378 D CA 1.325 55.005 54.000 -0.533 0.000 0.886 378 D CB 0.722 41.156 40.800 -0.610 0.000 1.148 378 D HN 0.587 nan 8.370 nan 0.000 0.483 379 G N 2.925 111.663 108.800 -0.103 0.000 2.238 379 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 379 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 379 G C 1.234 176.131 174.900 -0.004 0.000 0.996 379 G CA 0.256 45.327 45.100 -0.047 0.000 0.632 379 G HN 0.507 nan 8.290 nan 0.000 0.503 380 L N 0.065 121.292 121.223 0.007 0.000 2.240 380 L HA 0.129 4.469 4.340 -0.000 0.000 0.211 380 L C 1.548 178.433 176.870 0.025 0.000 1.106 380 L CA 0.965 55.825 54.840 0.033 0.000 0.793 380 L CB -0.391 41.706 42.059 0.065 0.000 0.927 380 L HN 0.279 nan 8.230 nan 0.000 0.446 381 N N 0.254 118.956 118.700 0.004 0.000 2.714 381 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 381 N C 1.075 176.538 175.510 -0.079 0.000 1.117 381 N CA 1.260 54.295 53.050 -0.026 0.000 0.719 381 N CB -1.073 37.427 38.487 0.022 0.000 1.081 381 N HN 0.673 nan 8.380 nan 0.000 0.557 382 E N -0.812 119.324 120.200 -0.107 0.000 2.338 382 E HA -0.116 4.234 4.350 -0.000 0.000 0.197 382 E C 0.969 177.292 176.600 -0.461 0.000 1.007 382 E CA 0.932 57.211 56.400 -0.202 0.000 0.849 382 E CB -0.108 29.533 29.700 -0.098 0.000 0.774 382 E HN 0.527 nan 8.360 nan 0.000 0.506 383 M N 1.445 120.789 119.600 -0.427 0.000 2.484 383 M HA 0.152 4.632 4.480 -0.000 0.000 0.307 383 M C 0.317 176.483 176.300 -0.223 0.000 1.149 383 M CA -0.419 54.563 55.300 -0.529 0.000 0.972 383 M CB 1.344 33.569 32.600 -0.625 0.000 1.400 383 M HN -0.083 nan 8.290 nan 0.000 0.508 384 S N 2.352 117.942 115.700 -0.182 0.000 2.552 384 S HA 0.093 4.563 4.470 -0.000 0.000 0.289 384 S C -1.153 173.346 174.600 -0.168 0.000 1.304 384 S CA -1.106 57.012 58.200 -0.137 0.000 1.063 384 S CB 0.638 63.777 63.200 -0.102 0.000 0.848 384 S HN 0.230 nan 8.310 nan 0.000 0.499 385 P HA -0.067 nan 4.420 nan 0.000 0.220 385 P C 1.451 178.580 177.300 -0.286 0.000 1.148 385 P CA 0.766 63.667 63.100 -0.332 0.000 0.803 385 P CB -0.158 31.358 31.700 -0.306 0.000 0.782 386 V N 0.448 120.237 119.914 -0.209 0.000 2.568 386 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 386 V C 2.724 178.712 176.094 -0.177 0.000 1.072 386 V CA 1.412 63.585 62.300 -0.213 0.000 1.084 386 V CB -1.392 30.307 31.823 -0.206 0.000 0.676 386 V HN 0.039 nan 8.190 nan 0.000 0.469 387 L N 0.884 122.022 121.223 -0.140 0.000 2.127 387 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 387 L C 2.502 179.337 176.870 -0.059 0.000 1.089 387 L CA 1.942 56.763 54.840 -0.031 0.000 0.757 387 L CB -0.520 41.553 42.059 0.023 0.000 0.899 387 L HN 0.608 nan 8.230 nan 0.000 0.434 388 S N -2.577 112.907 115.700 -0.359 0.000 2.527 388 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 388 S C 1.939 176.349 174.600 -0.316 0.000 1.059 388 S CA 0.412 58.258 58.200 -0.589 0.000 0.919 388 S CB -0.419 62.120 63.200 -1.101 0.000 0.805 388 S HN 0.437 nan 8.310 nan 0.000 0.500 389 T N 2.075 116.408 114.554 -0.369 0.000 3.007 389 T HA 0.021 4.371 4.350 -0.000 0.000 0.270 389 T C 1.735 176.289 174.700 -0.242 0.000 1.107 389 T CA 1.025 62.852 62.100 -0.455 0.000 1.118 389 T CB -0.953 67.471 68.868 -0.741 0.000 0.889 389 T HN 0.479 nan 8.240 nan 0.000 0.506 390 L N -0.092 121.053 121.223 -0.129 0.000 2.353 390 L HA 0.433 4.773 4.340 -0.000 0.000 0.220 390 L C 2.079 178.992 176.870 0.073 0.000 1.133 390 L CA 1.238 56.085 54.840 0.012 0.000 0.798 390 L CB -1.028 41.097 42.059 0.111 0.000 0.922 390 L HN 0.272 nan 8.230 nan 0.000 0.445 391 A N -1.000 121.817 122.820 -0.004 0.000 2.564 391 A HA 0.627 4.947 4.320 -0.000 0.000 0.279 391 A C 1.664 179.091 177.584 -0.262 0.000 1.232 391 A CA 0.263 52.285 52.037 -0.025 0.000 0.950 391 A CB -0.464 18.598 19.000 0.103 0.000 1.138 391 A HN 0.770 nan 8.150 nan 0.000 0.526 392 G N -0.618 108.044 108.800 -0.229 0.000 2.205 392 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.261 392 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.261 392 G C 0.059 174.790 174.900 -0.282 0.000 0.980 392 G CA 0.637 45.598 45.100 -0.231 0.000 0.632 392 G HN 0.780 nan 8.290 nan 0.000 0.533 393 H N -1.139 117.888 119.070 -0.071 0.000 2.467 393 H HA 0.501 5.057 4.556 -0.000 0.000 0.331 393 H C -0.136 175.108 175.328 -0.139 0.000 1.120 393 H CA -0.401 55.616 56.048 -0.052 0.000 1.270 393 H CB 1.115 30.831 29.762 -0.076 0.000 1.466 393 H HN 0.321 nan 8.280 nan 0.000 0.504 394 W N 4.387 125.666 121.300 -0.035 0.000 2.390 394 W HA 0.282 4.942 4.660 -0.000 0.000 0.312 394 W C -0.918 175.538 176.519 -0.105 0.000 1.123 394 W CA -0.820 56.476 57.345 -0.082 0.000 1.202 394 W CB 1.528 31.084 29.460 0.161 0.000 1.251 394 W HN 0.639 nan 8.180 nan 0.000 0.511 395 T N 2.402 116.386 114.554 -0.949 0.000 2.912 395 T HA 0.571 4.921 4.350 -0.000 0.000 0.288 395 T C -0.608 173.351 174.700 -1.234 0.000 1.030 395 T CA -0.612 60.964 62.100 -0.874 0.000 1.020 395 T CB 2.247 70.703 68.868 -0.687 0.000 1.056 395 T HN 0.380 nan 8.240 nan 0.000 0.480 396 T N 0.670 114.695 114.554 -0.882 0.000 2.956 396 T HA 0.395 4.745 4.350 -0.000 0.000 0.312 396 T C -1.768 172.517 174.700 -0.691 0.000 1.151 396 T CA -0.761 60.931 62.100 -0.679 0.000 1.024 396 T CB 0.963 69.745 68.868 -0.145 0.000 1.140 396 T HN 0.746 nan 8.240 nan 0.000 0.473 397 H N 4.578 123.628 119.070 -0.034 0.000 2.697 397 H HA 0.259 4.815 4.556 -0.000 0.000 0.270 397 H C -2.117 173.247 175.328 0.060 0.000 1.188 397 H CA -1.854 54.220 56.048 0.043 0.000 1.322 397 H CB 1.445 31.260 29.762 0.088 0.000 1.405 397 H HN 0.420 nan 8.280 nan 0.000 0.502 398 P HA -0.228 nan 4.420 nan 0.000 0.217 398 P C 1.150 178.394 177.300 -0.094 0.000 1.158 398 P CA 1.581 64.591 63.100 -0.149 0.000 0.887 398 P CB 0.016 31.525 31.700 -0.319 0.000 0.792 399 Y N -3.769 116.632 120.300 0.169 0.000 2.403 399 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 399 Y C 1.461 177.458 175.900 0.162 0.000 1.143 399 Y CA 0.471 58.670 58.100 0.165 0.000 1.257 399 Y CB -0.616 37.972 38.460 0.215 0.000 0.984 399 Y HN 0.029 nan 8.280 nan 0.000 0.550 400 W N 0.835 122.229 121.300 0.157 0.000 3.194 400 W HA 0.160 4.819 4.660 -0.000 0.000 0.408 400 W C 0.061 176.670 176.519 0.149 0.000 1.072 400 W CA -1.121 56.288 57.345 0.107 0.000 1.953 400 W CB -0.548 28.942 29.460 0.050 0.000 1.091 400 W HN -0.115 nan 8.180 nan 0.000 0.699 401 D N -0.133 120.365 120.400 0.163 0.000 2.414 401 D HA -0.020 4.620 4.640 -0.000 0.000 0.242 401 D C 1.848 178.083 176.300 -0.107 0.000 1.129 401 D CA 0.300 54.346 54.000 0.078 0.000 0.885 401 D CB 1.094 41.877 40.800 -0.029 0.000 1.198 401 D HN -0.040 nan 8.370 nan 0.000 0.437 402 R N 1.772 122.031 120.500 -0.401 0.000 2.091 402 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 402 R C 1.272 177.381 176.300 -0.319 0.000 1.136 402 R CA 1.569 57.173 56.100 -0.828 0.000 0.959 402 R CB 0.061 29.774 30.300 -0.979 0.000 0.856 402 R HN 0.541 nan 8.270 nan 0.000 0.437 403 E N -0.361 119.738 120.200 -0.168 0.000 2.047 403 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 403 E C 1.937 178.503 176.600 -0.057 0.000 0.987 403 E CA 1.129 57.484 56.400 -0.075 0.000 0.799 403 E CB -0.151 29.523 29.700 -0.044 0.000 0.752 403 E HN 0.102 nan 8.360 nan 0.000 0.449 404 V N 0.803 120.678 119.914 -0.066 0.000 2.295 404 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 404 V C 2.268 178.328 176.094 -0.057 0.000 1.049 404 V CA 1.472 63.747 62.300 -0.041 0.000 1.024 404 V CB -0.474 31.328 31.823 -0.034 0.000 0.648 404 V HN 0.218 nan 8.190 nan 0.000 0.447 405 L N 0.376 121.522 121.223 -0.128 0.000 1.989 405 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 405 L C 2.166 178.987 176.870 -0.080 0.000 1.071 405 L CA 2.127 56.834 54.840 -0.221 0.000 0.749 405 L CB -0.978 40.842 42.059 -0.398 0.000 0.890 405 L HN 0.300 nan 8.230 nan 0.000 0.431 406 D N -0.730 119.678 120.400 0.014 0.000 2.133 406 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 406 D C 2.163 178.482 176.300 0.031 0.000 0.997 406 D CA 1.662 55.719 54.000 0.095 0.000 0.840 406 D CB -0.253 40.622 40.800 0.126 0.000 0.947 406 D HN 0.319 nan 8.370 nan 0.000 0.452 407 L N 0.660 121.888 121.223 0.009 0.000 1.994 407 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 407 L C 2.274 179.147 176.870 0.005 0.000 1.071 407 L CA 1.453 56.298 54.840 0.009 0.000 0.745 407 L CB -0.665 41.399 42.059 0.008 0.000 0.892 407 L HN 0.019 nan 8.230 nan 0.000 0.431 408 L N -1.538 119.681 121.223 -0.006 0.000 2.046 408 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 408 L C 2.477 179.336 176.870 -0.018 0.000 1.077 408 L CA 1.159 55.995 54.840 -0.007 0.000 0.747 408 L CB -0.830 41.220 42.059 -0.014 0.000 0.896 408 L HN 0.150 nan 8.230 nan 0.000 0.432 409 V N 0.195 120.088 119.914 -0.035 0.000 2.332 409 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 409 V C 2.756 178.842 176.094 -0.012 0.000 1.055 409 V CA 2.110 64.393 62.300 -0.029 0.000 1.038 409 V CB -0.583 31.223 31.823 -0.027 0.000 0.651 409 V HN 0.652 nan 8.190 nan 0.000 0.450 410 S N -0.331 115.367 115.700 -0.004 0.000 2.423 410 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 410 S C 0.907 175.509 174.600 0.003 0.000 1.014 410 S CA 0.379 58.578 58.200 -0.002 0.000 0.965 410 S CB -0.789 62.413 63.200 0.004 0.000 0.785 410 S HN 0.462 nan 8.310 nan 0.000 0.495 411 L N 3.020 124.249 121.223 0.010 0.000 2.540 411 L HA 0.124 4.464 4.340 -0.000 0.000 0.276 411 L C 0.601 177.477 176.870 0.010 0.000 1.212 411 L CA -0.346 54.506 54.840 0.019 0.000 0.893 411 L CB -0.084 41.998 42.059 0.038 0.000 1.138 411 L HN 0.459 nan 8.230 nan 0.000 0.491 412 E N 2.303 122.507 120.200 0.007 0.000 2.415 412 E HA 0.121 4.471 4.350 -0.000 0.000 0.262 412 E C 0.927 177.520 176.600 -0.011 0.000 1.038 412 E CA 0.236 56.631 56.400 -0.008 0.000 0.921 412 E CB 0.777 30.470 29.700 -0.013 0.000 0.950 412 E HN 0.589 nan 8.360 nan 0.000 0.438 413 A N 3.557 126.359 122.820 -0.030 0.000 1.997 413 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 413 A C 2.104 179.665 177.584 -0.038 0.000 1.172 413 A CA 1.979 53.989 52.037 -0.045 0.000 0.645 413 A CB -1.420 17.535 19.000 -0.076 0.000 0.813 413 A HN 0.826 nan 8.150 nan 0.000 0.454 414 G N -1.038 107.733 108.800 -0.049 0.000 2.559 414 G HA2 0.031 3.991 3.960 -0.000 0.000 0.216 414 G HA3 0.031 3.991 3.960 -0.000 0.000 0.216 414 G C 1.274 176.122 174.900 -0.086 0.000 1.126 414 G CA 0.796 45.845 45.100 -0.084 0.000 0.778 414 G HN 0.481 nan 8.290 nan 0.000 0.543 415 L N -1.067 120.160 121.223 0.005 0.000 2.554 415 L HA 0.232 4.572 4.340 -0.000 0.000 0.225 415 L C 2.490 179.504 176.870 0.241 0.000 1.104 415 L CA 0.312 55.231 54.840 0.130 0.000 0.866 415 L CB 0.197 42.349 42.059 0.156 0.000 1.047 415 L HN 0.136 nan 8.230 nan 0.000 0.468 416 K N 0.028 120.504 120.400 0.126 0.000 2.244 416 K HA 0.039 4.359 4.320 -0.000 0.000 0.200 416 K C 0.710 177.398 176.600 0.147 0.000 1.052 416 K CA 0.131 56.495 56.287 0.128 0.000 0.980 416 K CB 0.381 32.910 32.500 0.049 0.000 0.838 416 K HN -0.106 nan 8.250 nan 0.000 0.481 417 R N 1.760 122.313 120.500 0.088 0.000 2.358 417 R HA 0.289 4.629 4.340 -0.000 0.000 0.309 417 R C -1.466 174.823 176.300 -0.019 0.000 1.026 417 R CA -0.413 55.738 56.100 0.086 0.000 0.909 417 R CB 0.479 30.841 30.300 0.104 0.000 1.153 417 R HN -0.074 nan 8.270 nan 0.000 0.515 418 R N 2.140 122.611 120.500 -0.049 0.000 2.626 418 R HA 0.292 4.632 4.340 -0.000 0.000 0.274 418 R C -0.688 175.411 176.300 -0.335 0.000 1.031 418 R CA -0.624 55.229 56.100 -0.411 0.000 0.898 418 R CB 0.919 30.691 30.300 -0.879 0.000 1.222 418 R HN 0.816 nan 8.270 nan 0.000 0.455 419 H N 1.565 120.478 119.070 -0.261 0.000 2.861 419 H HA -0.181 4.375 4.556 -0.000 0.000 0.289 419 H C 0.765 176.078 175.328 -0.026 0.000 1.176 419 H CA 1.529 57.495 56.048 -0.137 0.000 1.146 419 H CB -1.186 28.503 29.762 -0.123 0.000 1.330 419 H HN 1.091 nan 8.280 nan 0.000 0.379 420 G N -0.123 108.702 108.800 0.042 0.000 2.155 420 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 420 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 420 G C 0.306 175.261 174.900 0.093 0.000 0.983 420 G CA 0.666 45.800 45.100 0.056 0.000 0.676 420 G HN 0.603 nan 8.290 nan 0.000 0.528 421 R N 0.475 121.066 120.500 0.151 0.000 2.637 421 R HA 0.535 4.875 4.340 -0.000 0.000 0.291 421 R C -0.351 176.059 176.300 0.183 0.000 0.963 421 R CA -0.377 55.833 56.100 0.183 0.000 0.901 421 R CB 1.108 31.577 30.300 0.282 0.000 1.160 421 R HN 0.451 nan 8.270 nan 0.000 0.457 422 D N 0.984 121.460 120.400 0.127 0.000 2.341 422 D HA 0.093 4.733 4.640 -0.000 0.000 0.245 422 D C -0.594 175.770 176.300 0.106 0.000 1.106 422 D CA -0.668 53.398 54.000 0.110 0.000 0.905 422 D CB 0.712 41.550 40.800 0.064 0.000 1.202 422 D HN 0.391 nan 8.370 nan 0.000 0.426 423 K N 0.560 121.018 120.400 0.097 0.000 3.071 423 K HA -0.277 4.043 4.320 -0.000 0.000 0.262 423 K C 0.054 176.704 176.600 0.082 0.000 0.977 423 K CA 0.490 56.811 56.287 0.058 0.000 0.721 423 K CB -1.450 31.038 32.500 -0.020 0.000 1.293 423 K HN 0.724 nan 8.250 nan 0.000 0.475 424 W N 0.694 122.004 121.300 0.016 0.000 2.301 424 W HA -0.324 4.336 4.660 -0.000 0.000 0.325 424 W C 1.994 178.535 176.519 0.037 0.000 1.250 424 W CA 2.268 59.635 57.345 0.037 0.000 1.261 424 W CB -0.594 28.899 29.460 0.055 0.000 1.157 424 W HN 0.159 nan 8.180 nan 0.000 0.473 425 V N 1.140 121.060 119.914 0.010 0.000 2.469 425 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 425 V C 2.163 178.081 176.094 -0.292 0.000 1.064 425 V CA 2.230 64.376 62.300 -0.256 0.000 1.066 425 V CB -0.781 31.100 31.823 0.097 0.000 0.667 425 V HN 0.324 nan 8.190 nan 0.000 0.461 426 L N 0.262 121.386 121.223 -0.165 0.000 2.072 426 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 426 L C 2.549 179.317 176.870 -0.169 0.000 1.079 426 L CA 1.826 56.600 54.840 -0.111 0.000 0.752 426 L CB -0.770 41.256 42.059 -0.054 0.000 0.906 426 L HN 0.230 nan 8.230 nan 0.000 0.436 427 R N -0.350 120.008 120.500 -0.235 0.000 2.073 427 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 427 R C 2.272 178.381 176.300 -0.318 0.000 1.134 427 R CA 1.370 57.330 56.100 -0.233 0.000 0.952 427 R CB -0.754 29.419 30.300 -0.211 0.000 0.850 427 R HN 0.504 nan 8.270 nan 0.000 0.433 428 A N 1.280 123.753 122.820 -0.579 0.000 1.933 428 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 428 A C 2.359 179.756 177.584 -0.312 0.000 1.175 428 A CA 1.614 53.317 52.037 -0.558 0.000 0.628 428 A CB -0.598 17.757 19.000 -1.074 0.000 0.814 428 A HN 0.404 nan 8.150 nan 0.000 0.444 429 A N -1.256 121.402 122.820 -0.270 0.000 1.972 429 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 429 A C 1.843 179.373 177.584 -0.090 0.000 1.169 429 A CA 1.790 53.742 52.037 -0.141 0.000 0.635 429 A CB -0.306 18.636 19.000 -0.096 0.000 0.810 429 A HN 0.418 nan 8.150 nan 0.000 0.446 430 M N -1.051 118.492 119.600 -0.095 0.000 2.371 430 M HA 0.313 4.792 4.480 -0.000 0.000 0.246 430 M C 1.996 178.257 176.300 -0.066 0.000 1.103 430 M CA 0.381 55.647 55.300 -0.057 0.000 1.010 430 M CB -1.112 31.467 32.600 -0.036 0.000 1.457 430 M HN 0.406 nan 8.290 nan 0.000 0.486 431 A N 1.790 124.556 122.820 -0.091 0.000 1.927 431 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 431 A C 1.582 179.135 177.584 -0.051 0.000 1.185 431 A CA 2.401 54.388 52.037 -0.082 0.000 0.639 431 A CB -0.792 18.154 19.000 -0.090 0.000 0.820 431 A HN 0.583 nan 8.150 nan 0.000 0.451 432 D N -1.314 119.069 120.400 -0.029 0.000 2.319 432 D HA 0.394 5.034 4.640 -0.000 0.000 0.230 432 D C 0.762 177.083 176.300 0.035 0.000 1.094 432 D CA 0.812 54.813 54.000 0.001 0.000 0.856 432 D CB 0.021 40.823 40.800 0.002 0.000 0.915 432 D HN 0.344 nan 8.370 nan 0.000 0.517 433 A N -0.280 122.560 122.820 0.033 0.000 2.551 433 A HA 0.437 4.757 4.320 -0.000 0.000 0.252 433 A C 0.307 177.966 177.584 0.125 0.000 1.199 433 A CA -0.228 51.861 52.037 0.086 0.000 0.972 433 A CB 0.443 19.469 19.000 0.044 0.000 1.153 433 A HN 0.206 nan 8.150 nan 0.000 0.559 434 L N 0.445 121.639 121.223 -0.048 0.000 2.359 434 L HA 0.464 4.804 4.340 -0.000 0.000 0.256 434 L C -2.588 173.953 176.870 -0.549 0.000 1.026 434 L CA -2.567 52.095 54.840 -0.297 0.000 0.828 434 L CB 2.554 44.523 42.059 -0.149 0.000 1.406 434 L HN -0.059 nan 8.230 nan 0.000 0.413 435 P HA 0.036 nan 4.420 nan 0.000 0.271 435 P C 0.135 177.299 177.300 -0.227 0.000 1.216 435 P CA -0.125 62.693 63.100 -0.471 0.000 0.776 435 P CB 1.252 32.739 31.700 -0.356 0.000 0.881 436 A N 4.079 126.810 122.820 -0.148 0.000 1.927 436 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 436 A C 2.047 179.586 177.584 -0.075 0.000 1.185 436 A CA 2.245 54.227 52.037 -0.091 0.000 0.639 436 A CB -1.312 17.652 19.000 -0.059 0.000 0.820 436 A HN 0.733 nan 8.150 nan 0.000 0.451 437 E N -1.059 119.098 120.200 -0.071 0.000 2.118 437 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 437 E C 1.814 178.381 176.600 -0.055 0.000 0.992 437 E CA 1.659 58.028 56.400 -0.052 0.000 0.804 437 E CB -0.913 28.761 29.700 -0.044 0.000 0.741 437 E HN 0.463 nan 8.360 nan 0.000 0.458 438 T N 1.722 116.230 114.554 -0.077 0.000 2.674 438 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 438 T C 2.164 176.827 174.700 -0.061 0.000 1.039 438 T CA 2.119 64.178 62.100 -0.069 0.000 1.150 438 T CB -0.375 68.439 68.868 -0.090 0.000 0.864 438 T HN 0.341 nan 8.240 nan 0.000 0.427 439 V N 0.528 120.397 119.914 -0.076 0.000 2.759 439 V HA -0.045 4.075 4.120 -0.000 0.000 0.256 439 V C 1.566 177.630 176.094 -0.051 0.000 1.080 439 V CA 1.710 63.968 62.300 -0.071 0.000 1.101 439 V CB -0.961 30.807 31.823 -0.091 0.000 0.698 439 V HN 0.442 nan 8.190 nan 0.000 0.477 440 N N 0.080 118.756 118.700 -0.039 0.000 2.395 440 N HA 0.083 4.823 4.740 -0.000 0.000 0.175 440 N C 1.070 176.576 175.510 -0.006 0.000 1.029 440 N CA -0.134 52.907 53.050 -0.015 0.000 0.897 440 N CB 0.034 38.513 38.487 -0.013 0.000 0.991 440 N HN 0.419 nan 8.380 nan 0.000 0.441 441 R N 3.044 123.535 120.500 -0.016 0.000 2.399 441 R HA 0.078 4.418 4.340 -0.000 0.000 0.324 441 R C -2.270 174.026 176.300 -0.008 0.000 1.030 441 R CA -1.289 54.804 56.100 -0.012 0.000 0.984 441 R CB 0.406 30.696 30.300 -0.018 0.000 0.961 441 R HN 0.047 nan 8.270 nan 0.000 0.433 442 P HA -0.053 nan 4.420 nan 0.000 0.270 442 P C -0.403 176.893 177.300 -0.007 0.000 1.227 442 P CA -0.124 62.979 63.100 0.005 0.000 0.788 442 P CB 0.797 32.503 31.700 0.011 0.000 0.926 443 K N 1.447 121.842 120.400 -0.008 0.000 2.097 443 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 443 K C 0.851 177.440 176.600 -0.017 0.000 1.049 443 K CA 0.878 57.154 56.287 -0.020 0.000 0.933 443 K CB -0.660 31.827 32.500 -0.022 0.000 0.717 443 K HN 0.419 nan 8.250 nan 0.000 0.442 455 S N 3.707 119.465 115.700 0.097 0.000 2.370 455 S HA -0.061 4.409 4.470 -0.000 0.000 0.226 455 S C 1.396 176.106 174.600 0.182 0.000 1.033 455 S CA 1.576 59.838 58.200 0.103 0.000 1.011 455 S CB -0.524 62.717 63.200 0.070 0.000 0.852 455 S HN 0.755 nan 8.310 nan 0.000 0.457 456 F N 1.880 121.830 119.950 0.000 0.000 2.102 456 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 456 F C 2.532 178.329 175.800 -0.005 0.000 1.105 456 F CA 0.981 58.976 58.000 -0.008 0.000 1.239 456 F CB -0.127 38.862 39.000 -0.018 0.000 0.991 456 F HN 0.178 nan 8.300 nan 0.000 0.474 457 S N 0.371 116.122 115.700 0.084 0.000 2.353 457 S HA -0.275 4.195 4.470 -0.000 0.000 0.222 457 S C 1.772 176.380 174.600 0.012 0.000 1.035 457 S CA 1.550 59.726 58.200 -0.040 0.000 1.025 457 S CB -0.480 62.711 63.200 -0.015 0.000 0.902 457 S HN 0.272 nan 8.310 nan 0.000 0.440 458 R N 1.322 121.856 120.500 0.056 0.000 2.139 458 R HA -0.064 4.276 4.340 -0.000 0.000 0.243 458 R C 2.020 178.373 176.300 0.089 0.000 1.145 458 R CA 1.041 57.177 56.100 0.061 0.000 0.976 458 R CB -0.852 29.485 30.300 0.062 0.000 0.866 458 R HN 0.404 nan 8.270 nan 0.000 0.449 459 L N -0.575 120.722 121.223 0.123 0.000 2.027 459 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 459 L C 1.726 178.687 176.870 0.152 0.000 1.074 459 L CA 1.663 56.599 54.840 0.159 0.000 0.745 459 L CB -0.464 41.717 42.059 0.202 0.000 0.898 459 L HN 0.202 nan 8.230 nan 0.000 0.433 460 L N -0.641 120.609 121.223 0.044 0.000 2.093 460 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 460 L C 2.575 179.483 176.870 0.063 0.000 1.085 460 L CA 1.512 56.350 54.840 -0.004 0.000 0.755 460 L CB -1.308 40.672 42.059 -0.132 0.000 0.904 460 L HN 0.356 nan 8.230 nan 0.000 0.435 461 L N -0.525 120.724 121.223 0.043 0.000 2.191 461 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 461 L C 2.070 178.978 176.870 0.063 0.000 1.103 461 L CA 0.863 55.726 54.840 0.039 0.000 0.769 461 L CB -0.430 41.643 42.059 0.023 0.000 0.908 461 L HN 0.282 nan 8.230 nan 0.000 0.438 462 D N -1.050 119.416 120.400 0.110 0.000 2.234 462 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 462 D C 1.548 177.870 176.300 0.037 0.000 0.962 462 D CA 1.100 55.149 54.000 0.082 0.000 0.855 462 D CB 0.093 40.959 40.800 0.109 0.000 0.951 462 D HN 0.430 nan 8.370 nan 0.000 0.500 463 H N -0.586 118.488 119.070 0.007 0.000 2.551 463 H HA 0.379 4.935 4.556 -0.000 0.000 0.271 463 H C 0.564 175.891 175.328 -0.002 0.000 0.984 463 H CA 0.456 56.507 56.048 0.005 0.000 1.164 463 H CB 0.590 30.358 29.762 0.010 0.000 1.437 463 H HN 0.058 nan 8.280 nan 0.000 0.550 464 G N 0.420 109.274 108.800 0.089 0.000 3.405 464 G HA2 0.057 4.016 3.960 -0.000 0.000 0.676 464 G HA3 0.057 4.016 3.960 -0.000 0.000 0.676 464 G C -0.982 173.939 174.900 0.034 0.000 1.039 464 G CA -0.043 45.083 45.100 0.044 0.000 0.855 464 G HN 0.569 nan 8.290 nan 0.000 0.443 465 V N 2.129 122.052 119.914 0.015 0.000 2.872 465 V HA 0.781 4.901 4.120 -0.000 0.000 0.257 465 V C 0.203 176.292 176.094 -0.009 0.000 1.698 465 V CA 0.312 62.610 62.300 -0.003 0.000 0.913 465 V CB 1.354 33.165 31.823 -0.019 0.000 1.269 465 V HN 2.658 nan 8.190 nan 0.000 0.463 466 A N 5.306 128.119 122.820 -0.011 0.000 2.257 466 A HA 0.807 5.127 4.320 -0.000 0.000 0.289 466 A C 0.344 177.920 177.584 -0.014 0.000 1.095 466 A CA -0.017 52.014 52.037 -0.010 0.000 0.836 466 A CB 0.539 19.535 19.000 -0.007 0.000 1.111 466 A HN 1.267 nan 8.150 nan 0.000 0.497 467 E N -0.021 120.173 120.200 -0.011 0.000 2.428 467 E HA 0.005 4.355 4.350 -0.000 0.000 0.257 467 E C 0.108 176.704 176.600 -0.006 0.000 1.197 467 E CA 0.723 57.117 56.400 -0.011 0.000 0.974 467 E CB 0.164 29.858 29.700 -0.010 0.000 0.976 467 E HN 0.804 nan 8.360 nan 0.000 0.463 468 D N -0.199 120.201 120.400 0.001 0.000 2.880 468 D HA -0.268 4.372 4.640 -0.000 0.000 0.198 468 D C 0.552 176.856 176.300 0.007 0.000 1.059 468 D CA 2.180 56.184 54.000 0.008 0.000 1.019 468 D CB -0.709 40.091 40.800 0.000 0.000 1.112 468 D HN 0.623 nan 8.370 nan 0.000 0.424 469 R N -0.986 119.510 120.500 -0.006 0.000 2.521 469 R HA 0.270 4.610 4.340 -0.000 0.000 0.289 469 R C 2.110 178.382 176.300 -0.045 0.000 0.936 469 R CA 0.681 56.768 56.100 -0.021 0.000 1.089 469 R CB 0.835 31.122 30.300 -0.021 0.000 1.348 469 R HN 0.274 nan 8.270 nan 0.000 0.536 470 V N -1.948 117.941 119.914 -0.041 0.000 2.426 470 V HA -0.064 4.056 4.120 -0.000 0.000 0.242 470 V C 2.091 178.118 176.094 -0.111 0.000 1.036 470 V CA 1.667 63.913 62.300 -0.090 0.000 1.044 470 V CB -0.723 31.054 31.823 -0.077 0.000 0.688 470 V HN 0.178 nan 8.190 nan 0.000 0.462 471 H N 1.329 120.325 119.070 -0.122 0.000 2.387 471 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 471 H C 2.082 177.347 175.328 -0.105 0.000 1.099 471 H CA 2.393 58.372 56.048 -0.115 0.000 1.315 471 H CB -0.060 29.659 29.762 -0.071 0.000 1.380 471 H HN 0.498 nan 8.280 nan 0.000 0.513 472 E N 0.266 120.377 120.200 -0.148 0.000 2.028 472 E HA -0.000 4.350 4.350 -0.000 0.000 0.190 472 E C 2.454 178.947 176.600 -0.178 0.000 0.984 472 E CA 1.190 57.489 56.400 -0.170 0.000 0.800 472 E CB -0.726 28.935 29.700 -0.066 0.000 0.758 472 E HN 0.557 nan 8.360 nan 0.000 0.448 473 A N 1.222 123.950 122.820 -0.153 0.000 1.940 473 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 473 A C 1.914 179.381 177.584 -0.194 0.000 1.176 473 A CA 1.807 53.756 52.037 -0.147 0.000 0.631 473 A CB -0.445 18.472 19.000 -0.139 0.000 0.814 473 A HN 0.116 nan 8.150 nan 0.000 0.446 474 K N -1.020 119.197 120.400 -0.306 0.000 2.147 474 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 474 K C 2.286 178.802 176.600 -0.141 0.000 1.049 474 K CA 1.353 57.422 56.287 -0.364 0.000 0.936 474 K CB -0.128 32.053 32.500 -0.532 0.000 0.722 474 K HN 0.479 nan 8.250 nan 0.000 0.446 475 R N 1.232 121.611 120.500 -0.201 0.000 2.148 475 R HA -0.101 4.239 4.340 -0.000 0.000 0.223 475 R C 1.909 178.163 176.300 -0.077 0.000 1.088 475 R CA 1.190 57.201 56.100 -0.147 0.000 0.985 475 R CB 0.177 30.353 30.300 -0.207 0.000 0.880 475 R HN 0.253 nan 8.270 nan 0.000 0.451 476 Q N -0.625 119.131 119.800 -0.073 0.000 2.187 476 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 476 Q C 2.045 178.044 176.000 -0.001 0.000 0.957 476 Q CA 1.134 56.914 55.803 -0.039 0.000 0.857 476 Q CB 0.344 29.055 28.738 -0.045 0.000 0.929 476 Q HN 0.172 nan 8.270 nan 0.000 0.453 477 V N 0.183 120.111 119.914 0.022 0.000 2.323 477 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 477 V C 2.188 178.343 176.094 0.102 0.000 1.041 477 V CA 1.296 63.647 62.300 0.085 0.000 1.025 477 V CB -0.350 31.594 31.823 0.201 0.000 0.656 477 V HN 0.159 nan 8.190 nan 0.000 0.451 478 V N 0.290 120.275 119.914 0.119 0.000 2.407 478 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 478 V C 2.630 178.779 176.094 0.091 0.000 1.055 478 V CA 2.196 64.558 62.300 0.104 0.000 1.049 478 V CB -0.772 31.106 31.823 0.091 0.000 0.662 478 V HN 0.474 nan 8.190 nan 0.000 0.455 479 R N 0.353 120.878 120.500 0.042 0.000 2.115 479 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 479 R C 2.073 178.429 176.300 0.094 0.000 1.111 479 R CA 1.295 57.412 56.100 0.028 0.000 0.976 479 R CB -0.412 29.867 30.300 -0.034 0.000 0.870 479 R HN 0.475 nan 8.270 nan 0.000 0.445 480 E N 0.349 120.592 120.200 0.071 0.000 2.072 480 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 480 E C 2.029 178.674 176.600 0.076 0.000 0.982 480 E CA 1.088 57.527 56.400 0.064 0.000 0.803 480 E CB -0.244 29.477 29.700 0.036 0.000 0.755 480 E HN 0.357 nan 8.360 nan 0.000 0.453 481 L N 0.098 121.368 121.223 0.077 0.000 2.083 481 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 481 L C 2.474 179.392 176.870 0.080 0.000 1.083 481 L CA 0.965 55.835 54.840 0.049 0.000 0.752 481 L CB -0.437 41.645 42.059 0.038 0.000 0.899 481 L HN 0.056 nan 8.230 nan 0.000 0.433 482 F N 1.408 121.354 119.950 -0.006 0.000 2.113 482 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 482 F C 2.121 177.918 175.800 -0.005 0.000 1.103 482 F CA 1.719 59.719 58.000 -0.001 0.000 1.248 482 F CB -0.233 38.763 39.000 -0.007 0.000 0.999 482 F HN 0.072 nan 8.300 nan 0.000 0.475 483 D N 0.415 120.998 120.400 0.305 0.000 2.263 483 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 483 D C 2.299 178.612 176.300 0.022 0.000 0.971 483 D CA 1.233 55.337 54.000 0.174 0.000 0.867 483 D CB -0.212 40.674 40.800 0.144 0.000 0.929 483 D HN 0.351 nan 8.370 nan 0.000 0.492 484 L N -0.015 121.204 121.223 -0.007 0.000 2.130 484 L HA -0.032 4.308 4.340 -0.000 0.000 0.200 484 L C 2.574 179.392 176.870 -0.087 0.000 1.075 484 L CA 1.407 56.220 54.840 -0.045 0.000 0.768 484 L CB -0.762 41.269 42.059 -0.046 0.000 0.933 484 L HN 0.075 nan 8.230 nan 0.000 0.451 485 T N -3.238 111.247 114.554 -0.115 0.000 2.937 485 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 485 T C 1.677 176.349 174.700 -0.046 0.000 1.051 485 T CA 0.833 62.877 62.100 -0.093 0.000 1.141 485 T CB -0.274 68.543 68.868 -0.085 0.000 0.879 485 T HN 0.050 nan 8.240 nan 0.000 0.459 486 V N 1.154 120.886 119.914 -0.302 0.000 2.672 486 V HA 0.318 4.437 4.120 -0.000 0.000 0.242 486 V C 2.974 178.853 176.094 -0.358 0.000 1.059 486 V CA 1.236 63.245 62.300 -0.485 0.000 1.081 486 V CB -0.888 30.204 31.823 -1.218 0.000 0.752 486 V HN 0.606 nan 8.190 nan 0.000 0.472 487 G N 0.016 108.632 108.800 -0.307 0.000 2.453 487 G HA2 0.037 3.997 3.960 -0.000 0.000 0.215 487 G HA3 0.037 3.997 3.960 -0.000 0.000 0.215 487 G C 1.362 176.238 174.900 -0.041 0.000 1.147 487 G CA 0.846 45.887 45.100 -0.098 0.000 0.802 487 G HN 0.585 nan 8.290 nan 0.000 0.535 488 G N -0.441 108.329 108.800 -0.051 0.000 3.233 488 G HA2 0.394 4.354 3.960 -0.000 0.000 0.234 488 G HA3 0.394 4.354 3.960 -0.000 0.000 0.234 488 G C 1.066 175.951 174.900 -0.026 0.000 1.137 488 G CA 0.501 45.584 45.100 -0.028 0.000 0.763 488 G HN 1.155 nan 8.290 nan 0.000 0.549 489 G N 0.375 109.161 108.800 -0.024 0.000 2.366 489 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.299 489 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.299 489 G C 0.217 175.120 174.900 0.004 0.000 1.020 489 G CA 0.545 45.652 45.100 0.011 0.000 1.026 489 G HN 0.747 nan 8.290 nan 0.000 0.512 490 R N -0.376 120.101 120.500 -0.038 0.000 2.343 490 R HA 0.487 4.827 4.340 -0.000 0.000 0.320 490 R C 0.453 176.631 176.300 -0.203 0.000 0.956 490 R CA -0.914 55.137 56.100 -0.082 0.000 0.836 490 R CB 0.614 30.860 30.300 -0.090 0.000 1.151 490 R HN 0.449 nan 8.270 nan 0.000 0.450 491 H N 5.339 124.225 119.070 -0.307 0.000 2.972 491 H HA 0.028 4.584 4.556 -0.000 0.000 0.343 491 H C -1.695 173.198 175.328 -0.725 0.000 1.054 491 H CA -0.492 55.193 56.048 -0.605 0.000 1.412 491 H CB 1.324 30.835 29.762 -0.419 0.000 1.385 491 H HN 0.475 nan 8.280 nan 0.000 0.600 492 P HA -0.201 nan 4.420 nan 0.000 0.218 492 P C 1.248 178.174 177.300 -0.624 0.000 1.148 492 P CA 2.051 64.448 63.100 -1.172 0.000 0.822 492 P CB 0.090 30.535 31.700 -2.092 0.000 0.784 493 S N -0.979 114.552 115.700 -0.281 0.000 2.507 493 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 493 S C 1.367 175.949 174.600 -0.029 0.000 0.988 493 S CA 0.890 59.111 58.200 0.034 0.000 0.944 493 S CB -0.922 62.385 63.200 0.178 0.000 0.762 493 S HN 0.269 nan 8.310 nan 0.000 0.526 494 E N 0.430 120.576 120.200 -0.089 0.000 2.501 494 E HA 0.260 4.610 4.350 -0.000 0.000 0.200 494 E C -0.971 175.576 176.600 -0.088 0.000 1.016 494 E CA -0.191 56.163 56.400 -0.076 0.000 0.921 494 E CB 1.078 30.734 29.700 -0.073 0.000 1.034 494 E HN 0.311 nan 8.360 nan 0.000 0.468 495 V N 1.743 121.589 119.914 -0.114 0.000 2.417 495 V HA 0.115 4.235 4.120 -0.000 0.000 0.291 495 V C -0.328 175.732 176.094 -0.056 0.000 1.024 495 V CA -0.941 61.301 62.300 -0.097 0.000 0.861 495 V CB 1.651 33.389 31.823 -0.141 0.000 0.985 495 V HN 0.026 nan 8.190 nan 0.000 0.436 496 D N 3.326 123.706 120.400 -0.034 0.000 2.453 496 D HA 0.140 4.780 4.640 -0.000 0.000 0.223 496 D C 1.290 177.584 176.300 -0.009 0.000 1.183 496 D CA 0.051 54.043 54.000 -0.012 0.000 0.933 496 D CB 1.223 42.022 40.800 -0.003 0.000 1.038 496 D HN 0.582 nan 8.370 nan 0.000 0.513 497 T N 2.087 116.635 114.554 -0.009 0.000 2.977 497 T HA -0.117 4.233 4.350 -0.000 0.000 0.271 497 T C 1.124 175.823 174.700 -0.001 0.000 1.105 497 T CA 0.707 62.800 62.100 -0.011 0.000 1.116 497 T CB 0.151 69.009 68.868 -0.017 0.000 0.878 497 T HN 0.429 nan 8.240 nan 0.000 0.509 498 D N 1.197 121.609 120.400 0.019 0.000 2.123 498 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 498 D C 1.914 178.246 176.300 0.053 0.000 0.976 498 D CA 1.094 55.125 54.000 0.052 0.000 0.831 498 D CB -0.243 40.602 40.800 0.075 0.000 0.974 498 D HN 0.370 nan 8.370 nan 0.000 0.469 499 D N 0.180 120.602 120.400 0.036 0.000 2.149 499 D HA -0.098 4.541 4.640 -0.000 0.000 0.201 499 D C 2.116 178.425 176.300 0.015 0.000 0.972 499 D CA 0.385 54.405 54.000 0.034 0.000 0.835 499 D CB 0.265 41.079 40.800 0.023 0.000 0.966 499 D HN -0.113 nan 8.370 nan 0.000 0.476 500 V N -0.006 119.909 119.914 0.001 0.000 2.332 500 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 500 V C 2.529 178.614 176.094 -0.016 0.000 1.055 500 V CA 1.393 63.691 62.300 -0.002 0.000 1.038 500 V CB -0.544 31.280 31.823 0.002 0.000 0.651 500 V HN 0.164 nan 8.190 nan 0.000 0.450 501 V N 0.255 120.136 119.914 -0.055 0.000 2.307 501 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 501 V C 2.552 178.575 176.094 -0.120 0.000 1.045 501 V CA 2.327 64.535 62.300 -0.152 0.000 1.024 501 V CB -0.849 30.741 31.823 -0.389 0.000 0.651 501 V HN 0.560 nan 8.190 nan 0.000 0.449 502 R N 1.083 121.573 120.500 -0.017 0.000 2.132 502 R HA -0.204 4.135 4.340 -0.000 0.000 0.233 502 R C 2.447 178.784 176.300 0.061 0.000 1.125 502 R CA 2.581 58.754 56.100 0.123 0.000 0.914 502 R CB -1.030 29.347 30.300 0.128 0.000 0.845 502 R HN 0.447 nan 8.270 nan 0.000 0.431 503 S N -0.300 115.420 115.700 0.033 0.000 2.359 503 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 503 S C 1.992 176.599 174.600 0.011 0.000 1.039 503 S CA 1.662 59.874 58.200 0.020 0.000 1.042 503 S CB -0.494 62.714 63.200 0.013 0.000 0.915 503 S HN 0.246 nan 8.310 nan 0.000 0.439 504 V N 2.048 121.961 119.914 -0.001 0.000 2.490 504 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 504 V C 2.543 178.629 176.094 -0.012 0.000 1.061 504 V CA 1.548 63.840 62.300 -0.012 0.000 1.064 504 V CB -1.392 30.417 31.823 -0.022 0.000 0.670 504 V HN 0.542 nan 8.190 nan 0.000 0.461 505 A N 1.742 124.560 122.820 -0.002 0.000 1.828 505 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 505 A C 1.564 179.163 177.584 0.025 0.000 1.203 505 A CA 1.844 53.893 52.037 0.020 0.000 0.614 505 A CB -0.939 18.113 19.000 0.087 0.000 0.844 505 A HN 0.712 nan 8.150 nan 0.000 0.445 506 D N -1.528 118.892 120.400 0.035 0.000 2.826 506 D HA 0.139 4.779 4.640 -0.000 0.000 0.247 506 D C 0.664 176.971 176.300 0.012 0.000 1.238 506 D CA 0.205 54.220 54.000 0.024 0.000 0.894 506 D CB -0.156 40.660 40.800 0.028 0.000 1.100 506 D HN 0.495 nan 8.370 nan 0.000 0.453 507 R N -0.305 120.198 120.500 0.005 0.000 2.539 507 R HA 0.087 4.427 4.340 -0.000 0.000 0.342 507 R C -0.216 176.080 176.300 -0.007 0.000 0.941 507 R CA 0.103 56.202 56.100 -0.001 0.000 1.146 507 R CB 0.608 30.906 30.300 -0.003 0.000 1.541 507 R HN 0.345 nan 8.270 nan 0.000 0.525 508 T N 0.000 114.550 114.554 -0.007 0.000 3.816 508 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 508 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 508 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 508 T HN 0.000 nan 8.240 nan 0.000 0.658