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 2ash_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEFEVKKTFG KARLGVMKLH HGAVETPVFM PVGTNASVKL LTPRDLEEAG DATA SEQUENCE AEIILSNTFH LMLKPGVEII KLHRGLHNFM GWKRPILTDS GGFQVFSLPK DATA SEQUENCE IRIDDEGVVF RSPIDGSKVF LNPEISMEVQ IALGSDICMV FDHCPVXXAD DATA SEQUENCE YEEVKEATER TYRWALRSKK AFKTENQALF GIVQGGIYPD LRRESALQLT DATA SEQUENCE SIGFDGYAIG GLSIGEERSL TLEMTEVTVE FLPEDKPRYF MGGGSPELIL DATA SEQUENCE ELVDRGVDMF DSVFPTRIAR HGTALTWNGK LNLKASYNKR SLEPVDERCG DATA SEQUENCE CYTCKNFTRS YIHHLFDRGE VLGQILLTIH NINFMISLMK EVRRSIESGT DATA SEQUENCE FKELKSKVVE VYS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.386 176.300 0.144 0.000 1.140 1 M CA 0.000 55.393 55.300 0.155 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 E N 1.825 122.127 120.200 0.170 0.000 2.313 2 E HA 0.818 5.169 4.350 0.001 0.000 0.280 2 E C -1.915 174.825 176.600 0.234 0.000 0.898 2 E CA -0.448 56.047 56.400 0.159 0.000 0.803 2 E CB 1.389 31.153 29.700 0.106 0.000 1.286 2 E HN 2.032 nan 8.360 nan 0.000 0.401 3 F N 1.396 121.388 119.950 0.071 0.000 2.539 3 F HA 0.703 5.231 4.527 0.001 0.000 0.318 3 F C -0.053 175.779 175.800 0.054 0.000 1.135 3 F CA -0.161 57.880 58.000 0.068 0.000 0.915 3 F CB 1.683 40.727 39.000 0.074 0.000 1.176 3 F HN 0.662 nan 8.300 nan 0.000 0.440 4 E N 4.569 124.379 120.200 -0.651 0.000 2.210 4 E HA 0.679 5.030 4.350 0.001 0.000 0.266 4 E C -1.700 174.427 176.600 -0.789 0.000 0.883 4 E CA -0.848 55.245 56.400 -0.512 0.000 0.761 4 E CB 1.949 31.509 29.700 -0.232 0.000 1.156 4 E HN 0.579 nan 8.360 nan 0.000 0.412 5 V N 3.645 123.255 119.914 -0.506 0.000 2.461 5 V HA 0.232 4.353 4.120 0.001 0.000 0.275 5 V C 0.960 176.962 176.094 -0.154 0.000 1.047 5 V CA -0.074 62.053 62.300 -0.289 0.000 0.955 5 V CB 0.957 32.739 31.823 -0.069 0.000 0.988 5 V HN 0.911 nan 8.190 nan 0.000 0.471 6 K N 2.834 123.166 120.400 -0.113 0.000 2.244 6 K HA 0.230 4.551 4.320 0.001 0.000 0.200 6 K C 0.597 177.182 176.600 -0.025 0.000 1.052 6 K CA 0.471 56.719 56.287 -0.065 0.000 0.980 6 K CB 0.458 32.924 32.500 -0.057 0.000 0.838 6 K HN 0.515 nan 8.250 nan 0.000 0.481 7 K N 0.625 121.021 120.400 -0.007 0.000 2.523 7 K HA 0.229 4.550 4.320 0.001 0.000 0.257 7 K C -1.723 174.902 176.600 0.041 0.000 0.932 7 K CA -0.364 55.935 56.287 0.020 0.000 0.812 7 K CB 2.342 34.855 32.500 0.021 0.000 1.326 7 K HN -0.205 nan 8.250 nan 0.000 0.433 8 T N 3.355 117.945 114.554 0.061 0.000 2.833 8 T HA 0.302 4.652 4.350 0.001 0.000 0.297 8 T C -1.341 173.435 174.700 0.127 0.000 1.015 8 T CA -0.396 61.745 62.100 0.068 0.000 0.963 8 T CB 0.074 68.965 68.868 0.038 0.000 0.955 8 T HN 0.375 nan 8.240 nan 0.000 0.449 9 F N 4.142 124.064 119.950 -0.048 0.000 2.303 9 F HA 0.561 5.088 4.527 0.001 0.000 0.368 9 F C 1.049 176.825 175.800 -0.040 0.000 1.105 9 F CA 0.246 58.227 58.000 -0.031 0.000 1.153 9 F CB -0.445 38.544 39.000 -0.018 0.000 1.362 9 F HN 0.883 nan 8.300 nan 0.000 0.511 10 G N 5.654 114.258 108.800 -0.326 0.000 2.536 10 G HA2 -0.359 3.601 3.960 0.001 0.000 0.277 10 G HA3 -0.359 3.601 3.960 0.001 0.000 0.277 10 G C 0.893 175.717 174.900 -0.126 0.000 1.155 10 G CA 0.404 45.341 45.100 -0.271 0.000 0.960 10 G HN 0.580 nan 8.290 nan 0.000 0.544 11 K N 1.388 121.727 120.400 -0.101 0.000 2.354 11 K HA 0.588 4.908 4.320 0.001 0.000 0.194 11 K C 1.292 177.858 176.600 -0.057 0.000 1.038 11 K CA 0.568 56.821 56.287 -0.056 0.000 1.052 11 K CB 0.564 33.042 32.500 -0.036 0.000 0.861 11 K HN 0.845 nan 8.250 nan 0.000 0.535 12 A N 2.209 124.954 122.820 -0.126 0.000 2.548 12 A HA 0.083 4.404 4.320 0.001 0.000 0.247 12 A C -0.357 177.189 177.584 -0.063 0.000 1.067 12 A CA 0.389 52.309 52.037 -0.196 0.000 0.757 12 A CB 0.029 18.695 19.000 -0.556 0.000 0.996 12 A HN 0.217 nan 8.150 nan 0.000 0.504 13 R N 1.118 121.613 120.500 -0.009 0.000 2.637 13 R HA 0.598 4.938 4.340 0.001 0.000 0.291 13 R C -1.157 175.187 176.300 0.074 0.000 0.963 13 R CA -0.715 55.419 56.100 0.058 0.000 0.901 13 R CB 1.772 32.148 30.300 0.125 0.000 1.160 13 R HN 0.570 nan 8.270 nan 0.000 0.457 14 L N 1.625 122.882 121.223 0.057 0.000 2.305 14 L HA 0.764 5.104 4.340 0.001 0.000 0.284 14 L C -0.351 176.527 176.870 0.014 0.000 1.013 14 L CA 0.182 55.052 54.840 0.051 0.000 0.819 14 L CB 1.582 43.657 42.059 0.027 0.000 1.227 14 L HN 0.761 nan 8.230 nan 0.000 0.417 15 G N 3.484 112.306 108.800 0.036 0.000 2.725 15 G HA2 0.704 4.664 3.960 0.001 0.000 0.288 15 G HA3 0.704 4.664 3.960 0.001 0.000 0.288 15 G C -1.999 172.876 174.900 -0.042 0.000 1.399 15 G CA -0.593 44.426 45.100 -0.135 0.000 0.859 15 G HN 0.474 nan 8.290 nan 0.000 0.479 16 V N 0.285 120.103 119.914 -0.161 0.000 2.686 16 V HA 0.563 4.683 4.120 0.001 0.000 0.306 16 V C -0.186 175.979 176.094 0.118 0.000 1.065 16 V CA -0.590 61.723 62.300 0.021 0.000 0.894 16 V CB 1.702 33.522 31.823 -0.004 0.000 1.004 16 V HN 0.755 nan 8.190 nan 0.000 0.424 17 M N 2.707 122.460 119.600 0.255 0.000 2.300 17 M HA 0.463 4.944 4.480 0.001 0.000 0.348 17 M C -0.466 175.940 176.300 0.177 0.000 1.151 17 M CA -0.660 54.817 55.300 0.295 0.000 1.046 17 M CB 2.192 34.975 32.600 0.305 0.000 1.647 17 M HN 0.447 nan 8.290 nan 0.000 0.451 18 K N 4.328 124.824 120.400 0.160 0.000 2.367 18 K HA 0.700 5.021 4.320 0.001 0.000 0.263 18 K C -0.758 175.924 176.600 0.138 0.000 1.000 18 K CA -0.423 55.936 56.287 0.120 0.000 0.891 18 K CB 0.779 33.334 32.500 0.092 0.000 1.117 18 K HN 0.600 nan 8.250 nan 0.000 0.443 19 L N 0.364 121.668 121.223 0.136 0.000 2.304 19 L HA 0.482 4.823 4.340 0.001 0.000 0.268 19 L C 1.720 178.693 176.870 0.172 0.000 1.010 19 L CA -1.029 53.911 54.840 0.166 0.000 0.813 19 L CB 0.822 42.983 42.059 0.171 0.000 1.315 19 L HN 0.685 nan 8.230 nan 0.000 0.445 20 H N -0.279 118.849 119.070 0.096 0.000 2.422 20 H HA -0.130 4.426 4.556 0.001 0.000 0.298 20 H C 1.055 176.296 175.328 -0.145 0.000 1.098 20 H CA 1.998 58.045 56.048 -0.003 0.000 1.315 20 H CB 0.101 29.873 29.762 0.017 0.000 1.382 20 H HN 0.514 nan 8.280 nan 0.000 0.523 21 H N -1.307 117.681 119.070 -0.136 0.000 2.592 21 H HA 0.485 5.041 4.556 0.001 0.000 0.279 21 H C 0.317 175.574 175.328 -0.118 0.000 1.089 21 H CA 0.376 56.292 56.048 -0.220 0.000 1.150 21 H CB 1.012 30.654 29.762 -0.199 0.000 1.575 21 H HN 0.463 nan 8.280 nan 0.000 0.547 22 G N -0.541 108.281 108.800 0.037 0.000 2.347 22 G HA2 0.417 4.378 3.960 0.001 0.000 0.303 22 G HA3 0.417 4.378 3.960 0.001 0.000 0.303 22 G C -1.303 173.634 174.900 0.061 0.000 1.481 22 G CA -0.518 44.599 45.100 0.028 0.000 0.914 22 G HN 0.319 nan 8.290 nan 0.000 0.638 23 A N -0.521 122.330 122.820 0.051 0.000 2.371 23 A HA 0.743 5.064 4.320 0.001 0.000 0.257 23 A C 0.094 177.729 177.584 0.085 0.000 1.089 23 A CA -0.271 51.808 52.037 0.069 0.000 0.794 23 A CB 0.986 20.018 19.000 0.052 0.000 1.029 23 A HN 1.699 nan 8.150 nan 0.000 0.488 24 V N 1.623 121.602 119.914 0.108 0.000 2.483 24 V HA 0.635 4.755 4.120 0.001 0.000 0.297 24 V C 0.401 176.573 176.094 0.129 0.000 1.027 24 V CA -0.074 62.297 62.300 0.119 0.000 0.855 24 V CB 0.929 32.827 31.823 0.126 0.000 0.995 24 V HN 1.191 nan 8.190 nan 0.000 0.424 25 E N 1.880 122.150 120.200 0.117 0.000 2.319 25 E HA 0.712 5.062 4.350 0.001 0.000 0.268 25 E C 0.167 176.859 176.600 0.152 0.000 1.050 25 E CA -0.086 56.385 56.400 0.118 0.000 0.878 25 E CB 1.490 31.244 29.700 0.090 0.000 1.066 25 E HN 0.981 nan 8.360 nan 0.000 0.406 26 T N -0.858 113.800 114.554 0.174 0.000 2.906 26 T HA 0.694 5.044 4.350 0.001 0.000 0.295 26 T C -2.842 171.972 174.700 0.189 0.000 1.061 26 T CA -2.209 60.018 62.100 0.212 0.000 1.000 26 T CB 1.689 70.734 68.868 0.296 0.000 1.103 26 T HN 0.262 nan 8.240 nan 0.000 0.486 27 P HA 0.355 nan 4.420 nan 0.000 0.268 27 P C -0.885 176.579 177.300 0.274 0.000 1.205 27 P CA -0.447 62.821 63.100 0.280 0.000 0.771 27 P CB 0.694 32.590 31.700 0.327 0.000 0.858 28 V N 4.902 125.006 119.914 0.316 0.000 2.789 28 V HA 0.593 4.713 4.120 0.001 0.000 0.311 28 V C -1.555 174.765 176.094 0.377 0.000 1.073 28 V CA -1.011 61.452 62.300 0.272 0.000 0.921 28 V CB 1.396 33.317 31.823 0.164 0.000 1.009 28 V HN 0.322 nan 8.190 nan 0.000 0.426 29 F N 7.069 127.130 119.950 0.185 0.000 2.415 29 F HA 0.685 5.212 4.527 0.001 0.000 0.348 29 F C -0.082 175.779 175.800 0.101 0.000 1.119 29 F CA -0.710 57.393 58.000 0.170 0.000 1.069 29 F CB 1.585 40.633 39.000 0.079 0.000 1.124 29 F HN 0.465 nan 8.300 nan 0.000 0.472 30 M N 8.675 127.817 119.600 -0.764 0.000 2.080 30 M HA 0.332 4.812 4.480 0.001 0.000 0.350 30 M C -2.358 173.445 176.300 -0.828 0.000 1.173 30 M CA -1.843 53.095 55.300 -0.603 0.000 1.052 30 M CB 1.038 33.407 32.600 -0.385 0.000 1.577 30 M HN 0.356 nan 8.290 nan 0.000 0.455 31 P HA 0.006 nan 4.420 nan 0.000 0.264 31 P C -0.888 176.300 177.300 -0.187 0.000 1.183 31 P CA -0.027 62.986 63.100 -0.144 0.000 0.763 31 P CB 0.422 32.073 31.700 -0.081 0.000 0.807 32 V N 3.919 123.777 119.914 -0.094 0.000 2.398 32 V HA 0.634 4.754 4.120 0.001 0.000 0.286 32 V C 0.868 176.925 176.094 -0.062 0.000 1.026 32 V CA -0.183 62.072 62.300 -0.075 0.000 0.868 32 V CB 1.374 33.190 31.823 -0.013 0.000 0.982 32 V HN 0.707 nan 8.190 nan 0.000 0.443 33 G N 2.195 110.945 108.800 -0.083 0.000 2.454 33 G HA2 0.582 4.543 3.960 0.001 0.000 0.329 33 G HA3 0.582 4.543 3.960 0.001 0.000 0.329 33 G C 0.520 175.408 174.900 -0.020 0.000 1.177 33 G CA 0.291 45.352 45.100 -0.065 0.000 0.951 33 G HN 0.720 nan 8.290 nan 0.000 0.485 34 T N -2.081 112.469 114.554 -0.008 0.000 3.098 34 T HA 0.114 4.464 4.350 0.001 0.000 0.246 34 T C 0.820 175.541 174.700 0.035 0.000 0.983 34 T CA -0.083 62.031 62.100 0.023 0.000 1.094 34 T CB 0.317 69.180 68.868 -0.009 0.000 1.035 34 T HN 0.301 nan 8.240 nan 0.000 0.456 35 N N 2.235 120.940 118.700 0.009 0.000 2.714 35 N HA 0.536 5.276 4.740 0.001 0.000 0.298 35 N C 0.359 175.896 175.510 0.044 0.000 1.298 35 N CA 0.535 53.608 53.050 0.038 0.000 1.007 35 N CB 0.600 39.095 38.487 0.013 0.000 1.318 35 N HN 0.689 nan 8.380 nan 0.000 0.516 36 A N 0.555 123.401 122.820 0.043 0.000 2.791 36 A HA -0.173 4.148 4.320 0.001 0.000 0.292 36 A C 0.223 177.771 177.584 -0.060 0.000 1.487 36 A CA 0.915 52.969 52.037 0.029 0.000 0.760 36 A CB -2.120 16.983 19.000 0.172 0.000 1.031 36 A HN 0.647 nan 8.150 nan 0.000 0.503 37 S N -2.489 113.166 115.700 -0.075 0.000 2.556 37 S HA 0.571 5.041 4.470 0.001 0.000 0.280 37 S C -0.735 173.804 174.600 -0.101 0.000 1.141 37 S CA -0.247 57.892 58.200 -0.102 0.000 0.883 37 S CB 1.450 64.596 63.200 -0.090 0.000 1.103 37 S HN 1.474 nan 8.310 nan 0.000 0.453 38 V N 3.405 123.244 119.914 -0.126 0.000 2.389 38 V HA 0.292 4.412 4.120 0.001 0.000 0.264 38 V C 0.627 176.681 176.094 -0.066 0.000 1.049 38 V CA -0.483 61.755 62.300 -0.103 0.000 0.932 38 V CB 0.490 32.227 31.823 -0.143 0.000 1.011 38 V HN 0.851 nan 8.190 nan 0.000 0.475 39 K N 5.372 125.746 120.400 -0.043 0.000 2.491 39 K HA 0.135 4.455 4.320 0.001 0.000 0.279 39 K C 0.653 177.234 176.600 -0.031 0.000 1.026 39 K CA 0.185 56.450 56.287 -0.036 0.000 1.070 39 K CB 0.095 32.581 32.500 -0.024 0.000 0.887 39 K HN 0.633 nan 8.250 nan 0.000 0.481 40 L N 0.279 121.479 121.223 -0.037 0.000 5.044 40 L HA -0.283 4.057 4.340 0.001 0.000 0.412 40 L C -0.345 176.509 176.870 -0.027 0.000 0.971 40 L CA 0.530 55.349 54.840 -0.034 0.000 1.411 40 L CB -1.494 40.547 42.059 -0.030 0.000 1.884 40 L HN 0.598 nan 8.230 nan 0.000 0.631 41 L N 0.182 121.387 121.223 -0.031 0.000 2.334 41 L HA 0.578 4.918 4.340 0.001 0.000 0.276 41 L C 0.847 177.697 176.870 -0.033 0.000 1.014 41 L CA -0.328 54.497 54.840 -0.026 0.000 0.815 41 L CB 1.950 43.992 42.059 -0.028 0.000 1.268 41 L HN 0.066 nan 8.230 nan 0.000 0.428 42 T N -1.813 112.733 114.554 -0.012 0.000 2.918 42 T HA 0.327 4.677 4.350 0.001 0.000 0.283 42 T C -2.007 172.719 174.700 0.043 0.000 1.001 42 T CA -1.874 60.228 62.100 0.005 0.000 1.041 42 T CB 1.507 70.382 68.868 0.011 0.000 1.028 42 T HN 0.313 nan 8.240 nan 0.000 0.511 43 P HA -0.102 nan 4.420 nan 0.000 0.217 43 P C 1.572 179.028 177.300 0.260 0.000 1.148 43 P CA 0.862 64.118 63.100 0.260 0.000 0.828 43 P CB 0.028 31.934 31.700 0.343 0.000 0.783 44 R N 0.189 120.774 120.500 0.141 0.000 2.081 44 R HA -0.152 4.189 4.340 0.001 0.000 0.235 44 R C 1.538 177.899 176.300 0.103 0.000 1.131 44 R CA 1.804 57.968 56.100 0.107 0.000 0.960 44 R CB -0.640 29.692 30.300 0.053 0.000 0.856 44 R HN 0.089 nan 8.270 nan 0.000 0.436 45 D N 0.689 121.134 120.400 0.076 0.000 2.117 45 D HA -0.173 4.467 4.640 0.001 0.000 0.197 45 D C 2.027 178.387 176.300 0.101 0.000 0.987 45 D CA 1.130 55.170 54.000 0.066 0.000 0.829 45 D CB -0.167 40.656 40.800 0.038 0.000 0.961 45 D HN 0.290 nan 8.370 nan 0.000 0.460 46 L N 0.766 122.062 121.223 0.122 0.000 2.056 46 L HA -0.137 4.204 4.340 0.001 0.000 0.207 46 L C 2.405 179.449 176.870 0.291 0.000 1.078 46 L CA 1.116 56.041 54.840 0.142 0.000 0.749 46 L CB -0.302 41.731 42.059 -0.044 0.000 0.901 46 L HN -0.029 nan 8.230 nan 0.000 0.433 47 E N 0.025 120.448 120.200 0.371 0.000 2.058 47 E HA -0.262 4.089 4.350 0.001 0.000 0.194 47 E C 2.109 178.805 176.600 0.159 0.000 0.997 47 E CA 1.426 57.976 56.400 0.251 0.000 0.801 47 E CB -0.086 29.703 29.700 0.149 0.000 0.746 47 E HN 0.482 nan 8.360 nan 0.000 0.450 48 E N 0.316 120.595 120.200 0.133 0.000 2.153 48 E HA -0.168 4.182 4.350 0.001 0.000 0.194 48 E C 1.992 178.662 176.600 0.117 0.000 0.988 48 E CA 0.750 57.215 56.400 0.108 0.000 0.811 48 E CB -0.088 29.667 29.700 0.092 0.000 0.746 48 E HN 0.233 nan 8.360 nan 0.000 0.466 49 A N 0.208 123.104 122.820 0.126 0.000 2.070 49 A HA -0.018 4.302 4.320 0.001 0.000 0.220 49 A C 1.885 179.542 177.584 0.120 0.000 1.159 49 A CA 1.345 53.454 52.037 0.119 0.000 0.656 49 A CB -0.532 18.534 19.000 0.109 0.000 0.800 49 A HN 0.400 nan 8.150 nan 0.000 0.453 50 G N -2.582 106.300 108.800 0.136 0.000 2.141 50 G HA2 0.141 4.101 3.960 0.001 0.000 0.231 50 G HA3 0.141 4.101 3.960 0.001 0.000 0.231 50 G C 0.316 175.315 174.900 0.164 0.000 0.984 50 G CA 0.215 45.395 45.100 0.133 0.000 0.660 50 G HN 1.629 nan 8.290 nan 0.000 0.525 51 A N 0.118 123.066 122.820 0.214 0.000 2.484 51 A HA 0.580 4.901 4.320 0.001 0.000 0.268 51 A C 1.035 178.824 177.584 0.341 0.000 1.114 51 A CA 0.958 53.145 52.037 0.250 0.000 0.780 51 A CB 0.135 19.253 19.000 0.197 0.000 1.061 51 A HN 0.509 nan 8.150 nan 0.000 0.505 52 E N 1.503 121.851 120.200 0.246 0.000 2.478 52 E HA 0.260 4.610 4.350 0.001 0.000 0.194 52 E C -0.054 176.714 176.600 0.280 0.000 1.045 52 E CA 0.346 56.877 56.400 0.218 0.000 0.868 52 E CB 0.281 30.067 29.700 0.144 0.000 0.885 52 E HN 0.741 nan 8.360 nan 0.000 0.505 53 I N 0.591 121.349 120.570 0.313 0.000 2.785 53 I HA 0.243 4.413 4.170 0.001 0.000 0.293 53 I C -1.739 174.435 176.117 0.094 0.000 1.446 53 I CA -0.920 60.537 61.300 0.261 0.000 1.028 53 I CB 1.617 39.682 38.000 0.108 0.000 1.349 53 I HN -0.114 nan 8.210 nan 0.000 0.438 54 I N 4.535 125.090 120.570 -0.024 0.000 2.957 54 I HA 0.582 4.752 4.170 0.001 0.000 0.310 54 I C -1.839 174.155 176.117 -0.206 0.000 1.063 54 I CA -0.953 60.193 61.300 -0.257 0.000 1.033 54 I CB 2.152 39.794 38.000 -0.597 0.000 1.230 54 I HN 0.635 nan 8.210 nan 0.000 0.447 55 L N 2.897 123.990 121.223 -0.216 0.000 2.307 55 L HA 0.524 4.864 4.340 0.001 0.000 0.282 55 L C -0.224 176.567 176.870 -0.132 0.000 1.051 55 L CA -0.044 54.700 54.840 -0.161 0.000 0.804 55 L CB 1.639 43.614 42.059 -0.140 0.000 1.197 55 L HN 0.812 nan 8.230 nan 0.000 0.431 56 S N 3.344 118.989 115.700 -0.092 0.000 2.478 56 S HA 0.465 4.935 4.470 0.001 0.000 0.312 56 S C -0.333 174.271 174.600 0.006 0.000 1.094 56 S CA -0.727 57.442 58.200 -0.052 0.000 1.081 56 S CB 0.820 63.986 63.200 -0.057 0.000 1.007 56 S HN 0.834 nan 8.310 nan 0.000 0.475 57 N N 1.090 119.817 118.700 0.044 0.000 2.371 57 N HA 0.234 4.974 4.740 0.001 0.000 0.243 57 N C 1.066 176.646 175.510 0.116 0.000 1.287 57 N CA 0.431 53.545 53.050 0.106 0.000 0.911 57 N CB 0.629 39.209 38.487 0.155 0.000 1.142 57 N HN 0.744 nan 8.380 nan 0.000 0.451 58 T N -3.645 111.002 114.554 0.155 0.000 3.046 58 T HA 0.059 4.410 4.350 0.001 0.000 0.270 58 T C 1.124 175.910 174.700 0.142 0.000 0.920 58 T CA -0.431 61.742 62.100 0.122 0.000 0.874 58 T CB -0.381 68.535 68.868 0.081 0.000 1.214 58 T HN 0.335 nan 8.240 nan 0.000 0.536 59 F N 3.048 123.016 119.950 0.031 0.000 2.065 59 F HA -0.093 4.434 4.527 0.001 0.000 0.298 59 F C 2.097 177.834 175.800 -0.104 0.000 1.112 59 F CA 1.900 59.867 58.000 -0.055 0.000 1.212 59 F CB -0.481 38.467 39.000 -0.086 0.000 0.975 59 F HN 0.261 nan 8.300 nan 0.000 0.476 60 H N -0.458 118.648 119.070 0.060 0.000 2.395 60 H HA 0.006 4.562 4.556 0.001 0.000 0.299 60 H C 2.318 177.615 175.328 -0.053 0.000 1.070 60 H CA 1.622 57.643 56.048 -0.046 0.000 1.356 60 H CB -0.398 29.394 29.762 0.051 0.000 1.401 60 H HN 0.257 nan 8.280 nan 0.000 0.524 61 L N 0.021 121.297 121.223 0.088 0.000 2.079 61 L HA -0.223 4.117 4.340 0.001 0.000 0.210 61 L C 2.520 179.364 176.870 -0.043 0.000 1.081 61 L CA 1.385 56.241 54.840 0.027 0.000 0.752 61 L CB -0.362 41.714 42.059 0.029 0.000 0.896 61 L HN 0.403 nan 8.230 nan 0.000 0.433 62 M N -0.318 119.241 119.600 -0.069 0.000 2.213 62 M HA -0.215 4.265 4.480 0.001 0.000 0.263 62 M C 1.967 178.188 176.300 -0.132 0.000 1.062 62 M CA 1.780 57.017 55.300 -0.104 0.000 1.105 62 M CB 0.077 32.608 32.600 -0.116 0.000 1.385 62 M HN 0.211 nan 8.290 nan 0.000 0.417 63 L N -0.552 120.574 121.223 -0.162 0.000 2.145 63 L HA 0.097 4.438 4.340 0.001 0.000 0.201 63 L C 0.525 177.347 176.870 -0.081 0.000 1.075 63 L CA 0.477 55.226 54.840 -0.152 0.000 0.773 63 L CB -0.185 41.740 42.059 -0.223 0.000 0.936 63 L HN 0.041 nan 8.230 nan 0.000 0.451 64 K N 0.098 120.474 120.400 -0.040 0.000 2.601 64 K HA 0.281 4.601 4.320 0.001 0.000 0.249 64 K C -2.167 174.443 176.600 0.018 0.000 0.966 64 K CA -1.471 54.813 56.287 -0.004 0.000 0.827 64 K CB 2.233 34.749 32.500 0.027 0.000 1.178 64 K HN -0.251 nan 8.250 nan 0.000 0.437 65 P HA 0.035 nan 4.420 nan 0.000 0.245 65 P C 0.330 177.578 177.300 -0.086 0.000 1.206 65 P CA 0.345 63.419 63.100 -0.043 0.000 0.781 65 P CB 0.581 32.229 31.700 -0.088 0.000 0.994 66 G N -0.220 108.519 108.800 -0.102 0.000 2.712 66 G HA2 -0.214 3.746 3.960 0.001 0.000 0.686 66 G HA3 -0.214 3.746 3.960 0.001 0.000 0.686 66 G C 0.394 175.213 174.900 -0.136 0.000 1.321 66 G CA -0.447 44.590 45.100 -0.105 0.000 0.813 66 G HN 0.004 nan 8.290 nan 0.000 0.599 67 V N 1.502 121.352 119.914 -0.106 0.000 2.515 67 V HA 0.037 4.157 4.120 0.001 0.000 0.250 67 V C 3.274 179.314 176.094 -0.090 0.000 1.058 67 V CA 3.880 66.121 62.300 -0.098 0.000 1.064 67 V CB -0.831 30.951 31.823 -0.069 0.000 0.675 67 V HN 1.450 nan 8.190 nan 0.000 0.461 68 E N -0.418 119.738 120.200 -0.074 0.000 2.106 68 E HA -0.222 4.128 4.350 0.001 0.000 0.192 68 E C 1.906 178.478 176.600 -0.047 0.000 0.984 68 E CA 1.771 58.141 56.400 -0.051 0.000 0.806 68 E CB -0.571 29.105 29.700 -0.039 0.000 0.750 68 E HN 0.727 nan 8.360 nan 0.000 0.458 69 I N -0.257 120.268 120.570 -0.075 0.000 2.353 69 I HA -0.106 4.064 4.170 0.001 0.000 0.248 69 I C 2.571 178.646 176.117 -0.069 0.000 1.119 69 I CA 0.959 62.228 61.300 -0.051 0.000 1.417 69 I CB -0.033 37.919 38.000 -0.081 0.000 1.078 69 I HN 0.233 nan 8.210 nan 0.000 0.421 70 I N 0.502 120.914 120.570 -0.262 0.000 2.315 70 I HA -0.257 3.914 4.170 0.001 0.000 0.248 70 I C 2.396 178.498 176.117 -0.024 0.000 1.117 70 I CA 1.239 62.355 61.300 -0.306 0.000 1.404 70 I CB -0.285 37.491 38.000 -0.372 0.000 1.071 70 I HN 0.109 nan 8.210 nan 0.000 0.419 71 K N 0.726 121.113 120.400 -0.023 0.000 2.103 71 K HA -0.174 4.146 4.320 0.001 0.000 0.207 71 K C 2.057 178.680 176.600 0.039 0.000 1.048 71 K CA 1.334 57.629 56.287 0.014 0.000 0.930 71 K CB -0.252 32.244 32.500 -0.008 0.000 0.716 71 K HN 0.316 nan 8.250 nan 0.000 0.444 72 L N -0.020 121.229 121.223 0.045 0.000 2.131 72 L HA -0.186 4.155 4.340 0.001 0.000 0.210 72 L C 1.503 178.343 176.870 -0.050 0.000 1.092 72 L CA 1.212 56.049 54.840 -0.006 0.000 0.759 72 L CB -0.436 41.601 42.059 -0.036 0.000 0.903 72 L HN 0.258 nan 8.230 nan 0.000 0.435 73 H N -0.500 118.592 119.070 0.037 0.000 2.533 73 H HA 0.195 4.751 4.556 0.001 0.000 0.271 73 H C 1.260 176.642 175.328 0.089 0.000 1.000 73 H CA 0.536 56.641 56.048 0.094 0.000 1.149 73 H CB -0.181 29.691 29.762 0.183 0.000 1.375 73 H HN 0.246 nan 8.280 nan 0.000 0.582 74 R N -0.005 120.579 120.500 0.139 0.000 3.405 74 R HA -0.058 4.282 4.340 0.001 0.000 0.258 74 R C 0.863 177.255 176.300 0.153 0.000 1.030 74 R CA 1.512 57.680 56.100 0.113 0.000 0.691 74 R CB -2.838 27.514 30.300 0.088 0.000 1.093 74 R HN 1.230 nan 8.270 nan 0.000 0.448 75 G N -2.398 106.499 108.800 0.161 0.000 2.423 75 G HA2 0.277 4.237 3.960 0.001 0.000 0.684 75 G HA3 0.277 4.237 3.960 0.001 0.000 0.684 75 G C 0.380 175.394 174.900 0.191 0.000 1.309 75 G CA 0.070 45.269 45.100 0.166 0.000 0.950 75 G HN 1.554 nan 8.290 nan 0.000 0.587 76 L N -0.011 121.309 121.223 0.162 0.000 2.056 76 L HA 0.144 4.484 4.340 0.001 0.000 0.207 76 L C 2.538 179.496 176.870 0.146 0.000 1.078 76 L CA 2.952 57.869 54.840 0.127 0.000 0.749 76 L CB -1.064 41.005 42.059 0.017 0.000 0.901 76 L HN 0.733 nan 8.230 nan 0.000 0.433 77 H N -0.612 118.525 119.070 0.112 0.000 2.319 77 H HA -0.111 4.445 4.556 0.001 0.000 0.299 77 H C 2.077 177.485 175.328 0.133 0.000 1.092 77 H CA 1.912 58.017 56.048 0.095 0.000 1.302 77 H CB -0.178 29.563 29.762 -0.034 0.000 1.373 77 H HN 0.359 nan 8.280 nan 0.000 0.497 78 N N -0.077 118.799 118.700 0.294 0.000 2.142 78 N HA -0.141 4.599 4.740 0.001 0.000 0.186 78 N C 1.715 177.386 175.510 0.268 0.000 1.023 78 N CA 0.710 53.913 53.050 0.256 0.000 0.852 78 N CB -0.540 38.107 38.487 0.268 0.000 0.998 78 N HN 0.212 nan 8.380 nan 0.000 0.424 79 F N 2.036 122.022 119.950 0.060 0.000 2.126 79 F HA -0.121 4.407 4.527 0.001 0.000 0.299 79 F C 2.049 177.808 175.800 -0.069 0.000 1.096 79 F CA 1.368 59.275 58.000 -0.154 0.000 1.255 79 F CB -0.238 38.608 39.000 -0.256 0.000 0.997 79 F HN 0.054 nan 8.300 nan 0.000 0.479 80 M N -2.046 117.529 119.600 -0.042 0.000 2.333 80 M HA 0.447 4.928 4.480 0.001 0.000 0.257 80 M C 1.268 177.577 176.300 0.015 0.000 1.078 80 M CA 0.883 56.113 55.300 -0.116 0.000 1.005 80 M CB 0.443 33.003 32.600 -0.067 0.000 1.444 80 M HN 0.159 nan 8.290 nan 0.000 0.496 81 G N 1.335 110.189 108.800 0.089 0.000 2.136 81 G HA2 -0.256 3.704 3.960 0.001 0.000 0.242 81 G HA3 -0.256 3.704 3.960 0.001 0.000 0.242 81 G C -0.607 174.420 174.900 0.212 0.000 0.989 81 G CA 0.181 45.353 45.100 0.120 0.000 0.682 81 G HN 0.770 nan 8.290 nan 0.000 0.522 82 W N 0.960 122.269 121.300 0.014 0.000 2.329 82 W HA 0.622 5.283 4.660 0.001 0.000 0.312 82 W C 0.191 176.766 176.519 0.093 0.000 1.054 82 W CA -1.008 56.347 57.345 0.018 0.000 1.245 82 W CB 0.751 30.186 29.460 -0.042 0.000 1.255 82 W HN 0.095 nan 8.180 nan 0.000 0.436 83 K N 4.433 124.587 120.400 -0.410 0.000 2.399 83 K HA 0.196 4.517 4.320 0.001 0.000 0.204 83 K C 0.501 176.874 176.600 -0.378 0.000 1.023 83 K CA 0.004 56.147 56.287 -0.241 0.000 1.127 83 K CB 0.914 33.322 32.500 -0.153 0.000 0.856 83 K HN 0.242 nan 8.250 nan 0.000 0.514 84 R N 0.714 120.667 120.500 -0.911 0.000 2.843 84 R HA 0.358 4.698 4.340 0.001 0.000 0.232 84 R C -2.687 173.583 176.300 -0.050 0.000 1.305 84 R CA -2.320 53.471 56.100 -0.514 0.000 1.096 84 R CB -0.018 29.865 30.300 -0.695 0.000 1.455 84 R HN -0.206 nan 8.270 nan 0.000 0.520 85 P HA 0.066 nan 4.420 nan 0.000 0.269 85 P C -0.784 176.729 177.300 0.356 0.000 1.209 85 P CA 0.539 63.813 63.100 0.290 0.000 0.776 85 P CB 0.443 32.267 31.700 0.207 0.000 0.876 86 I N 2.358 123.044 120.570 0.194 0.000 2.498 86 I HA 0.361 4.531 4.170 0.001 0.000 0.290 86 I C -0.293 175.812 176.117 -0.020 0.000 1.032 86 I CA -0.929 60.385 61.300 0.023 0.000 1.073 86 I CB 1.890 39.788 38.000 -0.170 0.000 1.251 86 I HN 0.158 nan 8.210 nan 0.000 0.426 87 L N 6.263 127.431 121.223 -0.092 0.000 2.275 87 L HA 0.515 4.856 4.340 0.001 0.000 0.288 87 L C 0.142 176.950 176.870 -0.102 0.000 1.046 87 L CA -0.071 54.679 54.840 -0.150 0.000 0.805 87 L CB 1.277 43.172 42.059 -0.274 0.000 1.193 87 L HN 0.720 nan 8.230 nan 0.000 0.426 88 T N 0.130 114.645 114.554 -0.066 0.000 2.749 88 T HA 0.301 4.652 4.350 0.001 0.000 0.287 88 T C -0.361 174.343 174.700 0.007 0.000 0.970 88 T CA -0.833 61.256 62.100 -0.017 0.000 0.980 88 T CB 1.170 70.046 68.868 0.013 0.000 0.924 88 T HN 0.625 nan 8.240 nan 0.000 0.456 89 D N 2.173 122.596 120.400 0.039 0.000 2.350 89 D HA 0.216 4.856 4.640 0.001 0.000 0.249 89 D C 1.352 177.711 176.300 0.098 0.000 1.119 89 D CA -0.327 53.717 54.000 0.073 0.000 0.886 89 D CB 1.066 41.918 40.800 0.087 0.000 1.195 89 D HN 0.554 nan 8.370 nan 0.000 0.437 90 S N 2.393 118.164 115.700 0.119 0.000 2.603 90 S HA 0.212 4.682 4.470 0.001 0.000 0.220 90 S C 1.677 176.439 174.600 0.271 0.000 0.967 90 S CA 0.193 58.508 58.200 0.191 0.000 0.920 90 S CB -0.046 63.304 63.200 0.250 0.000 0.773 90 S HN 1.040 nan 8.310 nan 0.000 0.529 91 G N 0.165 109.079 108.800 0.189 0.000 2.159 91 G HA2 -0.182 3.778 3.960 0.001 0.000 0.227 91 G HA3 -0.182 3.778 3.960 0.001 0.000 0.227 91 G C 0.934 175.836 174.900 0.004 0.000 0.986 91 G CA 0.076 45.248 45.100 0.119 0.000 0.651 91 G HN 0.885 nan 8.290 nan 0.000 0.523 92 G N 0.445 109.294 108.800 0.081 0.000 2.440 92 G HA2 -0.023 3.937 3.960 0.001 0.000 0.218 92 G HA3 -0.023 3.937 3.960 0.001 0.000 0.218 92 G C 1.486 176.462 174.900 0.127 0.000 1.154 92 G CA 1.671 46.831 45.100 0.099 0.000 0.767 92 G HN 0.795 nan 8.290 nan 0.000 0.552 93 F N 1.520 121.436 119.950 -0.056 0.000 2.095 93 F HA -0.119 4.408 4.527 0.001 0.000 0.298 93 F C 2.924 178.618 175.800 -0.176 0.000 1.104 93 F CA 1.987 59.941 58.000 -0.078 0.000 1.232 93 F CB -0.203 38.751 39.000 -0.077 0.000 0.987 93 F HN 0.113 nan 8.300 nan 0.000 0.475 94 Q N -0.094 119.463 119.800 -0.405 0.000 2.050 94 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 94 Q C 2.582 177.980 176.000 -1.004 0.000 0.980 94 Q CA 1.798 57.135 55.803 -0.777 0.000 0.840 94 Q CB -1.276 26.839 28.738 -1.039 0.000 0.898 94 Q HN 0.427 nan 8.270 nan 0.000 0.424 95 V N 0.274 119.566 119.914 -1.035 0.000 2.307 95 V HA -0.205 3.915 4.120 0.001 0.000 0.245 95 V C 1.852 177.414 176.094 -0.887 0.000 1.045 95 V CA 1.574 63.193 62.300 -1.135 0.000 1.024 95 V CB -0.392 30.795 31.823 -1.061 0.000 0.651 95 V HN 0.196 nan 8.190 nan 0.000 0.449 96 F N -0.655 119.080 119.950 -0.358 0.000 2.615 96 F HA 0.105 4.633 4.527 0.001 0.000 0.297 96 F C 2.340 177.990 175.800 -0.249 0.000 1.124 96 F CA 1.024 58.884 58.000 -0.233 0.000 1.451 96 F CB -0.441 38.476 39.000 -0.138 0.000 1.103 96 F HN 0.067 nan 8.300 nan 0.000 0.569 97 S N 0.703 116.226 115.700 -0.295 0.000 2.851 97 S HA 0.182 4.652 4.470 0.001 0.000 0.227 97 S C 0.280 174.714 174.600 -0.276 0.000 0.958 97 S CA 0.019 58.002 58.200 -0.362 0.000 0.990 97 S CB -0.821 61.948 63.200 -0.718 0.000 0.790 97 S HN 0.098 nan 8.310 nan 0.000 0.509 98 L N 2.927 124.010 121.223 -0.235 0.000 2.346 98 L HA 0.531 4.872 4.340 0.001 0.000 0.276 98 L C -2.140 174.698 176.870 -0.053 0.000 1.006 98 L CA -2.383 52.371 54.840 -0.144 0.000 0.817 98 L CB 1.933 43.884 42.059 -0.179 0.000 1.272 98 L HN 0.109 nan 8.230 nan 0.000 0.421 99 P HA 0.068 nan 4.420 nan 0.000 0.272 99 P C -0.468 176.859 177.300 0.046 0.000 1.223 99 P CA -0.236 62.876 63.100 0.020 0.000 0.784 99 P CB 0.603 32.318 31.700 0.025 0.000 0.923 100 K N -0.014 120.416 120.400 0.050 0.000 3.020 100 K HA -0.173 4.148 4.320 0.001 0.000 0.266 100 K C 0.756 177.407 176.600 0.085 0.000 1.067 100 K CA 0.731 57.055 56.287 0.062 0.000 0.780 100 K CB -2.062 30.471 32.500 0.055 0.000 1.220 100 K HN 0.683 nan 8.250 nan 0.000 0.483 101 I N -2.646 117.980 120.570 0.092 0.000 2.836 101 I HA 0.259 4.430 4.170 0.001 0.000 0.285 101 I C 0.678 176.874 176.117 0.132 0.000 1.174 101 I CA -0.106 61.270 61.300 0.127 0.000 1.405 101 I CB 0.523 38.570 38.000 0.079 0.000 1.385 101 I HN 0.169 nan 8.210 nan 0.000 0.594 102 R N 5.760 126.353 120.500 0.156 0.000 2.229 102 R HA 0.683 5.023 4.340 0.001 0.000 0.332 102 R C -0.995 175.427 176.300 0.203 0.000 0.989 102 R CA -0.449 55.744 56.100 0.155 0.000 0.842 102 R CB 0.517 30.898 30.300 0.136 0.000 1.119 102 R HN 0.618 nan 8.270 nan 0.000 0.456 103 I N 2.760 123.451 120.570 0.202 0.000 2.441 103 I HA 0.656 4.826 4.170 0.001 0.000 0.295 103 I C -0.509 175.743 176.117 0.225 0.000 0.994 103 I CA -1.210 60.240 61.300 0.250 0.000 1.144 103 I CB 1.029 39.152 38.000 0.205 0.000 1.314 103 I HN 1.044 nan 8.210 nan 0.000 0.445 104 D N 1.178 121.754 120.400 0.293 0.000 2.825 104 D HA 0.274 4.914 4.640 0.001 0.000 0.327 104 D C 0.283 176.793 176.300 0.349 0.000 1.277 104 D CA -0.474 53.673 54.000 0.246 0.000 0.950 104 D CB 0.295 41.214 40.800 0.199 0.000 1.438 104 D HN 0.189 nan 8.370 nan 0.000 0.526 105 D N -0.843 119.725 120.400 0.280 0.000 2.178 105 D HA -0.132 4.508 4.640 0.001 0.000 0.201 105 D C 1.542 178.187 176.300 0.575 0.000 0.980 105 D CA 1.496 55.717 54.000 0.368 0.000 0.842 105 D CB 0.049 40.983 40.800 0.224 0.000 0.948 105 D HN 0.381 nan 8.370 nan 0.000 0.472 106 E N -0.502 119.950 120.200 0.420 0.000 2.107 106 E HA 0.103 4.454 4.350 0.001 0.000 0.191 106 E C 1.001 177.827 176.600 0.377 0.000 0.982 106 E CA 0.957 57.581 56.400 0.374 0.000 0.809 106 E CB 0.056 29.937 29.700 0.300 0.000 0.756 106 E HN 0.472 nan 8.360 nan 0.000 0.459 107 G N -1.909 107.166 108.800 0.459 0.000 2.360 107 G HA2 0.300 4.260 3.960 0.001 0.000 0.276 107 G HA3 0.300 4.260 3.960 0.001 0.000 0.276 107 G C -1.322 173.793 174.900 0.358 0.000 1.256 107 G CA -0.130 45.077 45.100 0.178 0.000 0.890 107 G HN 0.740 nan 8.290 nan 0.000 0.486 108 V N 0.025 120.026 119.914 0.144 0.000 2.540 108 V HA 0.747 4.868 4.120 0.001 0.000 0.302 108 V C -0.720 175.553 176.094 0.299 0.000 1.035 108 V CA -0.650 61.808 62.300 0.263 0.000 0.873 108 V CB 1.469 33.396 31.823 0.175 0.000 0.992 108 V HN 0.875 nan 8.190 nan 0.000 0.428 109 V N 8.137 128.249 119.914 0.330 0.000 2.483 109 V HA 0.714 4.835 4.120 0.001 0.000 0.295 109 V C -0.315 175.944 176.094 0.275 0.000 1.035 109 V CA -0.293 62.154 62.300 0.246 0.000 0.896 109 V CB 1.232 33.164 31.823 0.182 0.000 0.986 109 V HN 0.916 nan 8.190 nan 0.000 0.447 110 F N 2.097 122.071 119.950 0.039 0.000 2.711 110 F HA 0.722 5.249 4.527 0.001 0.000 0.313 110 F C -0.623 175.185 175.800 0.014 0.000 1.141 110 F CA -1.559 56.453 58.000 0.020 0.000 0.941 110 F CB 1.438 40.444 39.000 0.009 0.000 1.349 110 F HN 0.201 nan 8.300 nan 0.000 0.464 111 R N 1.253 121.835 120.500 0.137 0.000 2.308 111 R HA 0.388 4.729 4.340 0.001 0.000 0.305 111 R C -0.093 176.292 176.300 0.142 0.000 1.053 111 R CA -0.695 55.428 56.100 0.038 0.000 0.957 111 R CB 1.575 31.912 30.300 0.061 0.000 1.022 111 R HN 0.828 nan 8.270 nan 0.000 0.461 112 S N 3.755 119.443 115.700 -0.020 0.000 2.575 112 S HA 0.020 4.490 4.470 0.001 0.000 0.295 112 S C -1.306 173.347 174.600 0.088 0.000 1.267 112 S CA -1.180 57.034 58.200 0.022 0.000 1.074 112 S CB 0.510 63.658 63.200 -0.086 0.000 0.829 112 S HN 0.418 nan 8.310 nan 0.000 0.497 113 P HA 0.010 nan 4.420 nan 0.000 0.231 113 P C 0.827 178.197 177.300 0.116 0.000 1.158 113 P CA 0.875 64.068 63.100 0.154 0.000 0.763 113 P CB 0.019 31.877 31.700 0.263 0.000 0.805 114 I N -0.876 119.734 120.570 0.067 0.000 2.681 114 I HA -0.024 4.146 4.170 0.001 0.000 0.247 114 I C 1.712 177.844 176.117 0.025 0.000 1.091 114 I CA 1.058 62.391 61.300 0.055 0.000 1.442 114 I CB -0.444 37.582 38.000 0.043 0.000 1.219 114 I HN -0.212 nan 8.210 nan 0.000 0.451 115 D N 0.385 120.785 120.400 0.000 0.000 2.183 115 D HA 0.054 4.694 4.640 0.001 0.000 0.205 115 D C 1.653 177.949 176.300 -0.006 0.000 0.962 115 D CA 1.577 55.570 54.000 -0.011 0.000 0.849 115 D CB 0.156 40.934 40.800 -0.037 0.000 0.978 115 D HN 0.431 nan 8.370 nan 0.000 0.488 116 G N 0.044 108.844 108.800 -0.000 0.000 2.179 116 G HA2 -0.290 3.670 3.960 0.001 0.000 0.260 116 G HA3 -0.290 3.670 3.960 0.001 0.000 0.260 116 G C 0.478 175.362 174.900 -0.027 0.000 0.977 116 G CA 0.706 45.807 45.100 0.001 0.000 0.641 116 G HN 0.546 nan 8.290 nan 0.000 0.533 117 S N 0.130 115.798 115.700 -0.054 0.000 2.592 117 S HA 0.607 5.077 4.470 0.001 0.000 0.271 117 S C 0.290 174.810 174.600 -0.134 0.000 1.326 117 S CA -0.491 57.661 58.200 -0.081 0.000 1.024 117 S CB 1.630 64.779 63.200 -0.085 0.000 0.921 117 S HN 0.299 nan 8.310 nan 0.000 0.527 118 K N 1.645 121.964 120.400 -0.134 0.000 2.383 118 K HA 0.308 4.629 4.320 0.001 0.000 0.286 118 K C -0.914 175.517 176.600 -0.282 0.000 1.051 118 K CA -0.208 55.967 56.287 -0.186 0.000 0.974 118 K CB 0.896 33.328 32.500 -0.113 0.000 0.968 118 K HN 0.498 nan 8.250 nan 0.000 0.475 119 V N 4.999 124.588 119.914 -0.542 0.000 2.459 119 V HA 0.322 4.442 4.120 0.001 0.000 0.295 119 V C -0.459 175.320 176.094 -0.525 0.000 1.029 119 V CA -0.971 60.938 62.300 -0.653 0.000 0.874 119 V CB 1.159 32.335 31.823 -1.078 0.000 0.985 119 V HN 0.538 nan 8.190 nan 0.000 0.438 120 F N 5.936 125.681 119.950 -0.342 0.000 2.421 120 F HA 0.821 5.349 4.527 0.001 0.000 0.337 120 F C -0.811 174.916 175.800 -0.121 0.000 1.105 120 F CA -0.834 57.060 58.000 -0.176 0.000 1.049 120 F CB 1.468 40.393 39.000 -0.125 0.000 1.139 120 F HN 0.398 nan 8.300 nan 0.000 0.479 121 L N 6.361 127.104 121.223 -0.801 0.000 2.445 121 L HA 0.553 4.894 4.340 0.001 0.000 0.262 121 L C -1.547 174.650 176.870 -1.122 0.000 0.974 121 L CA -0.359 54.031 54.840 -0.750 0.000 0.822 121 L CB 1.862 43.769 42.059 -0.253 0.000 1.339 121 L HN 0.872 nan 8.230 nan 0.000 0.409 122 N N 2.331 120.364 118.700 -1.111 0.000 3.106 122 N HA 0.556 5.297 4.740 0.001 0.000 0.253 122 N C -2.849 172.129 175.510 -0.886 0.000 1.506 122 N CA -1.489 50.964 53.050 -0.995 0.000 0.876 122 N CB 0.913 38.972 38.487 -0.714 0.000 1.452 122 N HN 0.156 nan 8.380 nan 0.000 0.542 123 P HA -0.106 nan 4.420 nan 0.000 0.216 123 P C 0.607 177.791 177.300 -0.194 0.000 1.153 123 P CA 1.823 64.767 63.100 -0.259 0.000 0.858 123 P CB 0.282 31.890 31.700 -0.154 0.000 0.789 124 E N -0.758 119.331 120.200 -0.184 0.000 2.028 124 E HA -0.126 4.224 4.350 0.001 0.000 0.191 124 E C 1.989 178.518 176.600 -0.119 0.000 0.988 124 E CA 0.986 57.329 56.400 -0.095 0.000 0.799 124 E CB -1.010 28.657 29.700 -0.056 0.000 0.755 124 E HN 0.197 nan 8.360 nan 0.000 0.447 125 I N 0.371 120.822 120.570 -0.198 0.000 2.208 125 I HA -0.315 3.856 4.170 0.001 0.000 0.245 125 I C 2.444 178.439 176.117 -0.204 0.000 1.097 125 I CA 1.173 62.356 61.300 -0.195 0.000 1.363 125 I CB -0.335 37.510 38.000 -0.259 0.000 1.051 125 I HN 0.072 nan 8.210 nan 0.000 0.413 126 S N 0.324 115.836 115.700 -0.314 0.000 2.359 126 S HA -0.215 4.256 4.470 0.001 0.000 0.224 126 S C 2.149 176.713 174.600 -0.060 0.000 1.035 126 S CA 1.451 59.508 58.200 -0.238 0.000 1.018 126 S CB -0.066 62.924 63.200 -0.349 0.000 0.876 126 S HN 0.232 nan 8.310 nan 0.000 0.448 127 M N 1.313 120.907 119.600 -0.011 0.000 2.132 127 M HA 0.004 4.485 4.480 0.001 0.000 0.263 127 M C 2.584 178.943 176.300 0.099 0.000 1.065 127 M CA 1.847 57.222 55.300 0.125 0.000 1.122 127 M CB -2.013 30.701 32.600 0.190 0.000 1.365 127 M HN 0.608 nan 8.290 nan 0.000 0.411 128 E N 0.400 120.613 120.200 0.022 0.000 2.038 128 E HA -0.118 4.233 4.350 0.001 0.000 0.195 128 E C 2.224 178.822 176.600 -0.003 0.000 1.000 128 E CA 2.145 58.545 56.400 -0.001 0.000 0.803 128 E CB -1.333 28.351 29.700 -0.027 0.000 0.750 128 E HN 0.347 nan 8.360 nan 0.000 0.448 129 V N 1.228 121.130 119.914 -0.021 0.000 2.287 129 V HA -0.362 3.758 4.120 0.001 0.000 0.248 129 V C 2.718 178.823 176.094 0.019 0.000 1.053 129 V CA 2.405 64.694 62.300 -0.018 0.000 1.027 129 V CB -0.658 31.140 31.823 -0.042 0.000 0.646 129 V HN 0.611 nan 8.190 nan 0.000 0.447 130 Q N -0.888 118.946 119.800 0.057 0.000 2.187 130 Q HA -0.032 4.309 4.340 0.001 0.000 0.199 130 Q C 2.259 178.331 176.000 0.119 0.000 0.957 130 Q CA 1.268 57.130 55.803 0.099 0.000 0.857 130 Q CB -0.136 28.684 28.738 0.138 0.000 0.929 130 Q HN 0.586 nan 8.270 nan 0.000 0.453 131 I N 0.815 121.448 120.570 0.105 0.000 2.226 131 I HA -0.274 3.896 4.170 0.001 0.000 0.245 131 I C 2.397 178.529 176.117 0.025 0.000 1.100 131 I CA 1.064 62.386 61.300 0.036 0.000 1.374 131 I CB -0.314 37.663 38.000 -0.037 0.000 1.057 131 I HN 0.142 nan 8.210 nan 0.000 0.413 132 A N 0.629 123.460 122.820 0.018 0.000 1.933 132 A HA -0.145 4.175 4.320 0.001 0.000 0.218 132 A C 2.265 179.866 177.584 0.029 0.000 1.175 132 A CA 1.396 53.440 52.037 0.011 0.000 0.628 132 A CB -0.790 18.205 19.000 -0.009 0.000 0.814 132 A HN 0.397 nan 8.150 nan 0.000 0.444 133 L N -1.245 120.001 121.223 0.039 0.000 2.093 133 L HA 0.058 4.399 4.340 0.001 0.000 0.208 133 L C 1.838 178.779 176.870 0.119 0.000 1.085 133 L CA 0.797 55.671 54.840 0.056 0.000 0.755 133 L CB -0.578 41.506 42.059 0.041 0.000 0.904 133 L HN 0.581 nan 8.230 nan 0.000 0.435 134 G N 0.584 109.462 108.800 0.130 0.000 2.221 134 G HA2 -0.287 3.673 3.960 0.001 0.000 0.265 134 G HA3 -0.287 3.673 3.960 0.001 0.000 0.265 134 G C 0.317 175.385 174.900 0.281 0.000 1.041 134 G CA 0.317 45.527 45.100 0.182 0.000 0.807 134 G HN 0.453 nan 8.290 nan 0.000 0.502 135 S N -0.886 114.944 115.700 0.216 0.000 2.579 135 S HA 0.404 4.874 4.470 0.001 0.000 0.275 135 S C 0.954 175.699 174.600 0.242 0.000 1.345 135 S CA 0.369 58.696 58.200 0.212 0.000 1.031 135 S CB 1.315 64.562 63.200 0.078 0.000 0.892 135 S HN 0.226 nan 8.310 nan 0.000 0.529 136 D N 0.673 121.224 120.400 0.252 0.000 2.144 136 D HA 0.117 4.757 4.640 0.001 0.000 0.200 136 D C 0.069 176.443 176.300 0.124 0.000 0.978 136 D CA 1.105 55.247 54.000 0.236 0.000 0.833 136 D CB -0.181 40.772 40.800 0.255 0.000 0.961 136 D HN 0.552 nan 8.370 nan 0.000 0.470 137 I N 0.553 121.125 120.570 0.003 0.000 2.465 137 I HA 0.278 4.448 4.170 0.001 0.000 0.291 137 I C -0.806 175.237 176.117 -0.124 0.000 1.014 137 I CA -0.749 60.456 61.300 -0.159 0.000 1.093 137 I CB 2.141 39.828 38.000 -0.523 0.000 1.267 137 I HN -0.060 nan 8.210 nan 0.000 0.431 138 C N 6.491 125.739 119.300 -0.086 0.000 2.391 138 C HA 0.650 5.110 4.460 0.001 0.000 0.339 138 C C 0.116 175.016 174.990 -0.150 0.000 1.205 138 C CA -0.765 58.212 59.018 -0.068 0.000 1.937 138 C CB 1.246 28.993 27.740 0.012 0.000 2.341 138 C HN 0.586 nan 8.230 nan 0.000 0.516 139 M N 2.955 122.504 119.600 -0.084 0.000 2.363 139 M HA 0.357 4.838 4.480 0.001 0.000 0.343 139 M C 0.157 176.422 176.300 -0.058 0.000 1.165 139 M CA -0.495 54.767 55.300 -0.062 0.000 1.046 139 M CB 1.134 33.736 32.600 0.003 0.000 1.648 139 M HN 0.663 nan 8.290 nan 0.000 0.452 140 V N 0.648 120.497 119.914 -0.109 0.000 3.032 140 V HA 0.136 4.257 4.120 0.001 0.000 0.307 140 V C -0.246 175.913 176.094 0.107 0.000 1.097 140 V CA -0.394 61.886 62.300 -0.035 0.000 1.191 140 V CB -0.054 31.695 31.823 -0.124 0.000 0.964 140 V HN 0.654 nan 8.190 nan 0.000 0.494 141 F N 4.956 124.917 119.950 0.018 0.000 2.424 141 F HA 0.496 5.024 4.527 0.001 0.000 0.356 141 F C 0.230 176.191 175.800 0.267 0.000 1.110 141 F CA -1.070 56.979 58.000 0.082 0.000 1.161 141 F CB 0.261 39.238 39.000 -0.037 0.000 1.115 141 F HN 0.920 nan 8.300 nan 0.000 0.507 142 D N 3.690 123.976 120.400 -0.190 0.000 2.299 142 D HA 0.163 4.804 4.640 0.001 0.000 0.243 142 D C -1.176 175.051 176.300 -0.122 0.000 0.982 142 D CA -0.550 53.413 54.000 -0.060 0.000 0.924 142 D CB 1.008 41.754 40.800 -0.090 0.000 1.238 142 D HN 0.754 nan 8.370 nan 0.000 0.484 143 H N -0.331 118.503 119.070 -0.394 0.000 2.741 143 H HA 0.333 4.890 4.556 0.001 0.000 0.282 143 H C -0.763 174.114 175.328 -0.751 0.000 1.122 143 H CA -0.924 54.592 56.048 -0.886 0.000 1.293 143 H CB 0.496 29.654 29.762 -1.007 0.000 1.415 143 H HN 0.378 nan 8.280 nan 0.000 0.472 144 C N 9.313 128.327 119.300 -0.476 0.000 2.373 144 C HA 0.354 4.814 4.460 0.001 0.000 0.354 144 C C -2.113 172.757 174.990 -0.200 0.000 1.249 144 C CA -1.709 57.181 59.018 -0.213 0.000 1.784 144 C CB -0.348 27.395 27.740 0.006 0.000 2.408 144 C HN 0.711 nan 8.230 nan 0.000 0.542 145 P HA 0.345 nan 4.420 nan 0.000 0.277 145 P C 0.088 177.351 177.300 -0.062 0.000 1.240 145 P CA 0.095 63.081 63.100 -0.191 0.000 0.798 145 P CB 0.642 32.200 31.700 -0.237 0.000 0.979 150 D N 0.038 120.475 120.400 0.061 0.000 2.406 150 D HA 0.309 4.950 4.640 0.001 0.000 0.234 150 D C 0.807 177.119 176.300 0.020 0.000 1.196 150 D CA 0.795 54.837 54.000 0.071 0.000 0.881 150 D CB 0.046 40.862 40.800 0.027 0.000 1.205 150 D HN 1.459 nan 8.370 nan 0.000 0.453 151 Y N -0.155 120.024 120.300 -0.203 0.000 2.151 151 Y HA -0.151 4.400 4.550 0.001 0.000 0.284 151 Y C 2.372 178.061 175.900 -0.352 0.000 1.166 151 Y CA 2.740 60.487 58.100 -0.588 0.000 1.163 151 Y CB -0.030 38.027 38.460 -0.672 0.000 0.974 151 Y HN 0.607 nan 8.280 nan 0.000 0.511 152 E N 0.224 120.308 120.200 -0.194 0.000 2.153 152 E HA -0.123 4.227 4.350 0.001 0.000 0.194 152 E C 2.411 178.856 176.600 -0.258 0.000 0.988 152 E CA 1.703 57.967 56.400 -0.225 0.000 0.811 152 E CB -0.436 29.227 29.700 -0.061 0.000 0.746 152 E HN 0.725 nan 8.360 nan 0.000 0.466 153 E N 0.596 120.679 120.200 -0.195 0.000 2.047 153 E HA -0.104 4.247 4.350 0.001 0.000 0.191 153 E C 2.232 178.671 176.600 -0.268 0.000 0.987 153 E CA 1.376 57.667 56.400 -0.183 0.000 0.799 153 E CB -1.003 28.635 29.700 -0.104 0.000 0.752 153 E HN 0.116 nan 8.360 nan 0.000 0.449 154 V N 1.197 120.950 119.914 -0.268 0.000 2.343 154 V HA -0.253 3.867 4.120 0.001 0.000 0.247 154 V C 2.609 178.468 176.094 -0.392 0.000 1.051 154 V CA 2.274 64.407 62.300 -0.278 0.000 1.036 154 V CB -0.383 31.382 31.823 -0.096 0.000 0.654 154 V HN 0.570 nan 8.190 nan 0.000 0.451 155 K N 0.211 120.287 120.400 -0.540 0.000 2.057 155 K HA -0.209 4.112 4.320 0.001 0.000 0.207 155 K C 2.384 178.761 176.600 -0.371 0.000 1.049 155 K CA 1.746 57.723 56.287 -0.517 0.000 0.931 155 K CB -0.148 31.936 32.500 -0.694 0.000 0.714 155 K HN 0.394 nan 8.250 nan 0.000 0.440 156 E N -0.062 119.932 120.200 -0.343 0.000 2.038 156 E HA -0.196 4.154 4.350 0.001 0.000 0.195 156 E C 1.852 178.206 176.600 -0.410 0.000 1.000 156 E CA 1.186 57.407 56.400 -0.299 0.000 0.803 156 E CB -0.476 29.082 29.700 -0.236 0.000 0.750 156 E HN 0.562 nan 8.360 nan 0.000 0.448 157 A N -0.196 122.266 122.820 -0.596 0.000 1.908 157 A HA -0.181 4.139 4.320 0.001 0.000 0.218 157 A C 2.568 179.810 177.584 -0.571 0.000 1.181 157 A CA 2.406 53.875 52.037 -0.946 0.000 0.627 157 A CB -1.184 17.129 19.000 -1.144 0.000 0.818 157 A HN 0.522 nan 8.150 nan 0.000 0.445 158 T N -0.315 113.997 114.554 -0.403 0.000 2.821 158 T HA -0.075 4.276 4.350 0.001 0.000 0.267 158 T C 1.929 176.510 174.700 -0.198 0.000 1.046 158 T CA 1.478 63.417 62.100 -0.269 0.000 1.139 158 T CB -0.199 68.530 68.868 -0.232 0.000 0.871 158 T HN 0.577 nan 8.240 nan 0.000 0.454 159 E N 0.712 120.786 120.200 -0.211 0.000 2.072 159 E HA -0.020 4.331 4.350 0.001 0.000 0.191 159 E C 2.311 178.843 176.600 -0.114 0.000 0.985 159 E CA 0.677 57.006 56.400 -0.119 0.000 0.801 159 E CB -0.195 29.429 29.700 -0.127 0.000 0.750 159 E HN 0.511 nan 8.360 nan 0.000 0.452 160 R N 0.078 120.415 120.500 -0.270 0.000 2.092 160 R HA -0.117 4.223 4.340 0.001 0.000 0.231 160 R C 2.532 178.552 176.300 -0.467 0.000 1.119 160 R CA 1.814 57.646 56.100 -0.447 0.000 0.970 160 R CB -0.507 29.413 30.300 -0.634 0.000 0.864 160 R HN 0.260 nan 8.270 nan 0.000 0.440 161 T N 0.320 114.684 114.554 -0.317 0.000 2.665 161 T HA -0.242 4.109 4.350 0.001 0.000 0.268 161 T C 1.313 176.039 174.700 0.043 0.000 1.035 161 T CA 1.746 63.770 62.100 -0.127 0.000 1.151 161 T CB -0.528 68.258 68.868 -0.135 0.000 0.862 161 T HN 0.380 nan 8.240 nan 0.000 0.438 162 Y N 2.271 122.537 120.300 -0.057 0.000 2.081 162 Y HA -0.195 4.356 4.550 0.001 0.000 0.280 162 Y C 2.475 178.428 175.900 0.089 0.000 1.163 162 Y CA 1.408 59.523 58.100 0.025 0.000 1.135 162 Y CB -0.324 38.133 38.460 -0.005 0.000 0.970 162 Y HN 0.046 nan 8.280 nan 0.000 0.498 163 R N -1.494 118.964 120.500 -0.071 0.000 2.096 163 R HA -0.208 4.133 4.340 0.001 0.000 0.235 163 R C 1.985 178.383 176.300 0.164 0.000 1.127 163 R CA 1.570 57.626 56.100 -0.073 0.000 0.968 163 R CB -0.626 29.691 30.300 0.029 0.000 0.861 163 R HN 0.404 nan 8.270 nan 0.000 0.440 164 W N 0.287 121.582 121.300 -0.008 0.000 2.518 164 W HA 0.138 4.798 4.660 0.001 0.000 0.273 164 W C 2.256 178.806 176.519 0.051 0.000 1.247 164 W CA 0.236 57.612 57.345 0.053 0.000 1.288 164 W CB -0.698 28.818 29.460 0.093 0.000 1.107 164 W HN 0.146 nan 8.180 nan 0.000 0.586 165 A N -0.035 122.927 122.820 0.236 0.000 1.930 165 A HA -0.124 4.197 4.320 0.001 0.000 0.217 165 A C 2.101 179.828 177.584 0.239 0.000 1.175 165 A CA 1.267 53.432 52.037 0.214 0.000 0.627 165 A CB -0.860 18.266 19.000 0.211 0.000 0.815 165 A HN 0.209 nan 8.150 nan 0.000 0.443 166 L N -1.021 120.237 121.223 0.058 0.000 2.017 166 L HA -0.185 4.155 4.340 0.001 0.000 0.208 166 L C 2.866 179.774 176.870 0.065 0.000 1.073 166 L CA 1.551 56.388 54.840 -0.004 0.000 0.745 166 L CB -0.405 41.544 42.059 -0.184 0.000 0.894 166 L HN 0.331 nan 8.230 nan 0.000 0.432 167 R N -0.792 119.763 120.500 0.091 0.000 2.120 167 R HA -0.111 4.230 4.340 0.001 0.000 0.234 167 R C 2.439 178.799 176.300 0.100 0.000 1.123 167 R CA 1.464 57.619 56.100 0.093 0.000 0.975 167 R CB -0.337 30.021 30.300 0.097 0.000 0.866 167 R HN 0.283 nan 8.270 nan 0.000 0.446 168 S N 0.867 116.648 115.700 0.135 0.000 2.368 168 S HA -0.139 4.331 4.470 0.001 0.000 0.224 168 S C 1.781 176.483 174.600 0.171 0.000 1.029 168 S CA 1.059 59.341 58.200 0.137 0.000 0.988 168 S CB -0.080 63.200 63.200 0.133 0.000 0.838 168 S HN 0.286 nan 8.310 nan 0.000 0.462 169 K N 1.516 122.037 120.400 0.201 0.000 2.097 169 K HA -0.138 4.183 4.320 0.001 0.000 0.206 169 K C 2.497 179.195 176.600 0.162 0.000 1.049 169 K CA 1.549 57.945 56.287 0.182 0.000 0.933 169 K CB -0.269 32.273 32.500 0.070 0.000 0.717 169 K HN 0.327 nan 8.250 nan 0.000 0.442 170 K N 0.239 120.708 120.400 0.115 0.000 2.097 170 K HA 0.019 4.340 4.320 0.001 0.000 0.205 170 K C 1.922 178.583 176.600 0.102 0.000 1.050 170 K CA 1.451 57.791 56.287 0.088 0.000 0.938 170 K CB -0.805 31.731 32.500 0.060 0.000 0.718 170 K HN 0.382 nan 8.250 nan 0.000 0.442 171 A N -0.769 122.126 122.820 0.124 0.000 2.169 171 A HA 0.326 4.646 4.320 0.001 0.000 0.212 171 A C 0.875 178.561 177.584 0.171 0.000 1.153 171 A CA 0.082 52.187 52.037 0.114 0.000 0.756 171 A CB -0.243 18.809 19.000 0.088 0.000 0.813 171 A HN 0.494 nan 8.150 nan 0.000 0.471 172 F N 1.959 121.931 119.950 0.037 0.000 2.605 172 F HA 0.442 4.969 4.527 0.001 0.000 0.352 172 F C 0.741 176.558 175.800 0.028 0.000 1.236 172 F CA -0.278 57.747 58.000 0.041 0.000 1.267 172 F CB -0.459 38.585 39.000 0.074 0.000 1.632 172 F HN 0.078 nan 8.300 nan 0.000 0.639 173 K N 2.912 123.217 120.400 -0.160 0.000 2.300 173 K HA 0.688 5.009 4.320 0.001 0.000 0.264 173 K C -0.336 176.098 176.600 -0.277 0.000 1.083 173 K CA -0.057 56.127 56.287 -0.172 0.000 0.958 173 K CB 0.048 32.504 32.500 -0.074 0.000 1.318 173 K HN 0.544 nan 8.250 nan 0.000 0.448 174 T N -1.646 112.686 114.554 -0.370 0.000 2.671 174 T HA 0.711 5.061 4.350 0.001 0.000 0.300 174 T C -0.861 173.702 174.700 -0.227 0.000 1.238 174 T CA -0.540 61.359 62.100 -0.335 0.000 1.020 174 T CB 1.391 69.959 68.868 -0.500 0.000 1.503 174 T HN 0.502 nan 8.240 nan 0.000 0.497 175 E N -0.921 119.167 120.200 -0.186 0.000 2.369 175 E HA 0.587 4.938 4.350 0.001 0.000 0.270 175 E C -0.487 176.009 176.600 -0.172 0.000 0.909 175 E CA -1.074 55.238 56.400 -0.147 0.000 0.775 175 E CB 1.082 30.704 29.700 -0.129 0.000 1.270 175 E HN 0.947 nan 8.360 nan 0.000 0.445 176 N N -0.445 118.162 118.700 -0.156 0.000 2.741 176 N HA -0.235 4.506 4.740 0.001 0.000 0.251 176 N C -0.579 174.910 175.510 -0.036 0.000 1.112 176 N CA 0.904 53.826 53.050 -0.215 0.000 0.750 176 N CB -0.862 37.164 38.487 -0.768 0.000 1.119 176 N HN 0.614 nan 8.380 nan 0.000 0.561 177 Q N -0.015 119.818 119.800 0.056 0.000 2.337 177 Q HA 0.729 5.069 4.340 0.001 0.000 0.270 177 Q C -0.691 175.497 176.000 0.314 0.000 1.043 177 Q CA -0.543 55.383 55.803 0.205 0.000 0.794 177 Q CB 2.214 31.099 28.738 0.245 0.000 1.281 177 Q HN 0.288 nan 8.270 nan 0.000 0.446 178 A N 2.195 125.174 122.820 0.264 0.000 2.286 178 A HA 0.694 5.015 4.320 0.001 0.000 0.286 178 A C -1.115 176.597 177.584 0.214 0.000 1.097 178 A CA -0.397 51.799 52.037 0.265 0.000 0.821 178 A CB 0.657 19.805 19.000 0.246 0.000 1.076 178 A HN 0.564 nan 8.150 nan 0.000 0.490 179 L N 1.282 122.626 121.223 0.202 0.000 2.406 179 L HA 0.708 5.048 4.340 0.001 0.000 0.272 179 L C -1.829 175.220 176.870 0.299 0.000 0.980 179 L CA -0.242 54.602 54.840 0.007 0.000 0.831 179 L CB 1.201 43.022 42.059 -0.397 0.000 1.253 179 L HN 0.514 nan 8.230 nan 0.000 0.406 180 F N 2.820 122.643 119.950 -0.211 0.000 2.443 180 F HA 0.740 5.267 4.527 0.001 0.000 0.335 180 F C 1.046 176.481 175.800 -0.608 0.000 1.104 180 F CA -1.009 56.795 58.000 -0.327 0.000 1.013 180 F CB 1.775 40.668 39.000 -0.179 0.000 1.136 180 F HN 0.572 nan 8.300 nan 0.000 0.470 181 G N 2.849 111.136 108.800 -0.855 0.000 2.476 181 G HA2 0.574 4.535 3.960 0.001 0.000 0.286 181 G HA3 0.574 4.535 3.960 0.001 0.000 0.286 181 G C -0.827 173.888 174.900 -0.309 0.000 1.177 181 G CA -0.549 43.991 45.100 -0.933 0.000 0.870 181 G HN 0.545 nan 8.290 nan 0.000 0.528 182 I N 1.068 121.511 120.570 -0.212 0.000 2.382 182 I HA 0.172 4.342 4.170 0.001 0.000 0.285 182 I C -0.189 175.881 176.117 -0.078 0.000 1.007 182 I CA -0.746 60.481 61.300 -0.122 0.000 1.142 182 I CB 1.997 39.921 38.000 -0.128 0.000 1.289 182 I HN 0.037 nan 8.210 nan 0.000 0.453 183 V N 6.861 126.742 119.914 -0.055 0.000 2.555 183 V HA 0.183 4.303 4.120 0.001 0.000 0.286 183 V C 0.395 176.434 176.094 -0.092 0.000 1.044 183 V CA -0.252 62.019 62.300 -0.048 0.000 1.026 183 V CB 0.692 32.498 31.823 -0.029 0.000 0.981 183 V HN 0.687 nan 8.190 nan 0.000 0.480 184 Q N 2.322 122.066 119.800 -0.094 0.000 3.184 184 Q HA 0.663 5.004 4.340 0.001 0.000 0.236 184 Q C 1.037 176.980 176.000 -0.096 0.000 1.038 184 Q CA 0.060 55.792 55.803 -0.117 0.000 0.857 184 Q CB 1.415 30.060 28.738 -0.155 0.000 1.957 184 Q HN 0.977 nan 8.270 nan 0.000 0.453 185 G N -1.098 107.643 108.800 -0.097 0.000 2.183 185 G HA2 0.011 3.971 3.960 0.001 0.000 0.168 185 G HA3 0.011 3.971 3.960 0.001 0.000 0.168 185 G C 0.624 175.543 174.900 0.032 0.000 1.008 185 G CA 0.213 45.287 45.100 -0.042 0.000 0.677 185 G HN 1.094 nan 8.290 nan 0.000 0.498 186 G N 0.371 109.158 108.800 -0.022 0.000 2.582 186 G HA2 -0.117 3.843 3.960 0.001 0.000 0.288 186 G HA3 -0.117 3.843 3.960 0.001 0.000 0.288 186 G C 0.979 175.818 174.900 -0.102 0.000 1.247 186 G CA 1.325 46.406 45.100 -0.031 0.000 0.972 186 G HN 1.879 nan 8.290 nan 0.000 0.557 187 I N -2.019 118.374 120.570 -0.295 0.000 3.858 187 I HA 0.556 4.726 4.170 0.001 0.000 0.325 187 I C -0.231 175.573 176.117 -0.523 0.000 1.403 187 I CA -0.508 60.559 61.300 -0.388 0.000 1.169 187 I CB -0.124 37.636 38.000 -0.400 0.000 1.077 187 I HN 0.271 nan 8.210 nan 0.000 0.403 188 Y N 1.701 122.016 120.300 0.025 0.000 2.417 188 Y HA 0.457 5.007 4.550 0.001 0.000 0.336 188 Y C -1.663 174.254 175.900 0.029 0.000 0.961 188 Y CA -2.711 55.423 58.100 0.057 0.000 1.215 188 Y CB 0.761 39.309 38.460 0.147 0.000 1.120 188 Y HN -0.032 nan 8.280 nan 0.000 0.499 189 P HA -0.210 nan 4.420 nan 0.000 0.216 189 P C 1.118 178.445 177.300 0.045 0.000 1.150 189 P CA 1.905 65.047 63.100 0.069 0.000 0.843 189 P CB 0.345 32.080 31.700 0.059 0.000 0.787 190 D N 0.152 120.596 120.400 0.073 0.000 2.123 190 D HA -0.166 4.474 4.640 0.001 0.000 0.196 190 D C 1.981 178.276 176.300 -0.009 0.000 0.992 190 D CA 1.181 55.191 54.000 0.018 0.000 0.833 190 D CB -1.069 39.757 40.800 0.044 0.000 0.954 190 D HN 0.221 nan 8.370 nan 0.000 0.455 191 L N -0.157 121.102 121.223 0.061 0.000 2.109 191 L HA -0.048 4.292 4.340 0.001 0.000 0.207 191 L C 2.973 179.810 176.870 -0.056 0.000 1.086 191 L CA 0.607 55.435 54.840 -0.019 0.000 0.760 191 L CB -0.335 41.711 42.059 -0.022 0.000 0.910 191 L HN -0.083 nan 8.230 nan 0.000 0.437 192 R N 0.247 120.734 120.500 -0.022 0.000 2.073 192 R HA -0.172 4.169 4.340 0.001 0.000 0.234 192 R C 2.309 178.546 176.300 -0.104 0.000 1.134 192 R CA 1.413 57.490 56.100 -0.039 0.000 0.952 192 R CB -0.599 29.704 30.300 0.005 0.000 0.850 192 R HN 0.365 nan 8.270 nan 0.000 0.433 193 R N 1.001 121.382 120.500 -0.200 0.000 2.083 193 R HA -0.180 4.160 4.340 0.001 0.000 0.237 193 R C 2.384 178.422 176.300 -0.437 0.000 1.137 193 R CA 2.203 57.985 56.100 -0.530 0.000 0.951 193 R CB -0.218 29.627 30.300 -0.759 0.000 0.851 193 R HN 0.331 nan 8.270 nan 0.000 0.434 194 E N 0.251 120.280 120.200 -0.285 0.000 2.077 194 E HA -0.163 4.188 4.350 0.001 0.000 0.193 194 E C 1.809 178.292 176.600 -0.195 0.000 0.989 194 E CA 1.460 57.722 56.400 -0.230 0.000 0.800 194 E CB -0.989 28.603 29.700 -0.180 0.000 0.746 194 E HN 0.509 nan 8.360 nan 0.000 0.452 195 S N -0.516 115.093 115.700 -0.153 0.000 2.368 195 S HA 0.047 4.517 4.470 0.001 0.000 0.225 195 S C 2.417 176.976 174.600 -0.069 0.000 1.030 195 S CA 1.683 59.821 58.200 -0.103 0.000 0.999 195 S CB -0.453 62.697 63.200 -0.084 0.000 0.844 195 S HN 0.806 nan 8.310 nan 0.000 0.459 196 A N 1.300 124.069 122.820 -0.085 0.000 1.898 196 A HA 0.104 4.425 4.320 0.001 0.000 0.216 196 A C 2.194 179.734 177.584 -0.073 0.000 1.181 196 A CA 1.218 53.217 52.037 -0.064 0.000 0.620 196 A CB -0.720 18.272 19.000 -0.014 0.000 0.819 196 A HN 0.562 nan 8.150 nan 0.000 0.442 197 L N -0.930 120.231 121.223 -0.104 0.000 2.017 197 L HA -0.264 4.077 4.340 0.001 0.000 0.208 197 L C 2.932 179.759 176.870 -0.071 0.000 1.073 197 L CA 1.680 56.468 54.840 -0.086 0.000 0.745 197 L CB -0.697 41.278 42.059 -0.140 0.000 0.894 197 L HN 0.487 nan 8.230 nan 0.000 0.432 198 Q N -0.105 119.620 119.800 -0.124 0.000 2.045 198 Q HA -0.240 4.101 4.340 0.001 0.000 0.206 198 Q C 2.374 178.450 176.000 0.127 0.000 0.991 198 Q CA 1.661 57.362 55.803 -0.170 0.000 0.851 198 Q CB -0.209 28.303 28.738 -0.376 0.000 0.911 198 Q HN 0.498 nan 8.270 nan 0.000 0.418 199 L N 0.099 121.440 121.223 0.196 0.000 2.027 199 L HA -0.166 4.175 4.340 0.001 0.000 0.206 199 L C 2.751 179.878 176.870 0.428 0.000 1.074 199 L CA 1.600 56.686 54.840 0.410 0.000 0.745 199 L CB -0.992 41.293 42.059 0.376 0.000 0.898 199 L HN 0.436 nan 8.230 nan 0.000 0.433 200 T N -3.250 111.398 114.554 0.157 0.000 2.897 200 T HA -0.171 4.180 4.350 0.001 0.000 0.271 200 T C 1.956 176.729 174.700 0.123 0.000 1.084 200 T CA 1.321 63.464 62.100 0.071 0.000 1.123 200 T CB -0.471 68.311 68.868 -0.144 0.000 0.865 200 T HN 0.454 nan 8.240 nan 0.000 0.496 201 S N 1.022 116.791 115.700 0.115 0.000 2.436 201 S HA 0.111 4.582 4.470 0.001 0.000 0.228 201 S C 1.997 176.662 174.600 0.109 0.000 1.014 201 S CA 0.296 58.552 58.200 0.094 0.000 0.950 201 S CB -0.712 62.531 63.200 0.072 0.000 0.784 201 S HN 0.599 nan 8.310 nan 0.000 0.504 202 I N 1.687 122.352 120.570 0.159 0.000 2.277 202 I HA 0.192 4.362 4.170 0.001 0.000 0.243 202 I C 1.409 177.435 176.117 -0.152 0.000 1.094 202 I CA 0.860 62.184 61.300 0.039 0.000 1.393 202 I CB -0.928 37.122 38.000 0.084 0.000 1.078 202 I HN 0.581 nan 8.210 nan 0.000 0.417 203 G N 1.207 109.947 108.800 -0.100 0.000 3.436 203 G HA2 -0.157 3.804 3.960 0.001 0.000 0.685 203 G HA3 -0.157 3.804 3.960 0.001 0.000 0.685 203 G C -0.834 173.764 174.900 -0.502 0.000 1.039 203 G CA -0.837 44.194 45.100 -0.115 0.000 0.879 203 G HN 0.044 nan 8.290 nan 0.000 0.478 204 F N 0.462 120.403 119.950 -0.014 0.000 2.640 204 F HA 0.556 5.083 4.527 0.001 0.000 0.324 204 F C 1.106 176.723 175.800 -0.305 0.000 1.077 204 F CA -1.018 56.831 58.000 -0.251 0.000 0.965 204 F CB 1.414 40.103 39.000 -0.518 0.000 1.351 204 F HN 0.314 nan 8.300 nan 0.000 0.487 205 D N 0.269 120.660 120.400 -0.015 0.000 2.347 205 D HA 0.219 4.860 4.640 0.001 0.000 0.215 205 D C 0.601 176.658 176.300 -0.404 0.000 0.976 205 D CA 0.873 54.848 54.000 -0.043 0.000 0.884 205 D CB 0.391 41.306 40.800 0.191 0.000 0.915 205 D HN 0.600 nan 8.370 nan 0.000 0.526 206 G N -0.724 107.471 108.800 -1.008 0.000 2.523 206 G HA2 0.426 4.386 3.960 0.001 0.000 0.291 206 G HA3 0.426 4.386 3.960 0.001 0.000 0.291 206 G C -2.131 171.810 174.900 -1.597 0.000 1.450 206 G CA -0.832 43.233 45.100 -1.724 0.000 0.790 206 G HN -0.045 nan 8.290 nan 0.000 0.496 207 Y N -0.073 119.817 120.300 -0.683 0.000 2.373 207 Y HA 0.680 5.230 4.550 0.001 0.000 0.336 207 Y C 0.521 176.335 175.900 -0.142 0.000 0.979 207 Y CA -0.527 57.401 58.100 -0.286 0.000 1.080 207 Y CB 2.400 40.759 38.460 -0.168 0.000 1.190 207 Y HN 0.840 nan 8.280 nan 0.000 0.446 208 A N 3.908 126.750 122.820 0.036 0.000 2.306 208 A HA 0.752 5.072 4.320 0.001 0.000 0.314 208 A C -0.636 176.866 177.584 -0.135 0.000 1.164 208 A CA -0.661 51.331 52.037 -0.075 0.000 0.822 208 A CB 0.321 19.218 19.000 -0.172 0.000 1.130 208 A HN 0.784 nan 8.150 nan 0.000 0.496 209 I N 2.736 123.172 120.570 -0.224 0.000 2.291 209 I HA 0.378 4.548 4.170 0.001 0.000 0.290 209 I C 1.016 176.881 176.117 -0.420 0.000 1.050 209 I CA 0.131 61.293 61.300 -0.230 0.000 1.245 209 I CB 1.101 39.034 38.000 -0.112 0.000 1.405 209 I HN 0.703 nan 8.210 nan 0.000 0.478 210 G N 3.005 111.622 108.800 -0.306 0.000 2.488 210 G HA2 0.510 4.470 3.960 0.001 0.000 0.318 210 G HA3 0.510 4.470 3.960 0.001 0.000 0.318 210 G C 0.761 175.498 174.900 -0.271 0.000 1.188 210 G CA -0.144 44.769 45.100 -0.312 0.000 0.944 210 G HN 0.934 nan 8.290 nan 0.000 0.495 211 G N -1.560 107.100 108.800 -0.233 0.000 2.148 211 G HA2 -0.213 3.748 3.960 0.001 0.000 0.254 211 G HA3 -0.213 3.748 3.960 0.001 0.000 0.254 211 G C 0.147 174.965 174.900 -0.136 0.000 0.981 211 G CA 0.732 45.744 45.100 -0.147 0.000 0.670 211 G HN 0.668 nan 8.290 nan 0.000 0.528 212 L N -1.065 120.027 121.223 -0.218 0.000 2.279 212 L HA 0.778 5.119 4.340 0.001 0.000 0.262 212 L C 1.425 178.261 176.870 -0.057 0.000 1.019 212 L CA -0.418 54.359 54.840 -0.105 0.000 0.823 212 L CB 1.969 44.017 42.059 -0.018 0.000 1.358 212 L HN 0.485 nan 8.230 nan 0.000 0.432 213 S N 1.003 116.768 115.700 0.108 0.000 3.682 213 S HA -0.150 4.321 4.470 0.001 0.000 0.354 213 S C 0.179 174.790 174.600 0.018 0.000 1.034 213 S CA 1.090 59.360 58.200 0.115 0.000 1.084 213 S CB -1.006 62.357 63.200 0.273 0.000 0.903 213 S HN 0.614 nan 8.310 nan 0.000 0.470 214 I N -3.082 117.499 120.570 0.018 0.000 3.658 214 I HA 0.657 4.827 4.170 0.001 0.000 0.328 214 I C 1.131 177.284 176.117 0.061 0.000 1.567 214 I CA 0.099 61.430 61.300 0.051 0.000 1.078 214 I CB 0.316 38.373 38.000 0.095 0.000 1.267 214 I HN 0.456 nan 8.210 nan 0.000 0.495 215 G N 1.398 110.222 108.800 0.039 0.000 2.551 215 G HA2 -0.198 3.762 3.960 0.001 0.000 0.186 215 G HA3 -0.198 3.762 3.960 0.001 0.000 0.186 215 G C 0.135 175.043 174.900 0.015 0.000 1.002 215 G CA 0.032 45.151 45.100 0.031 0.000 0.723 215 G HN 0.580 nan 8.290 nan 0.000 0.481 216 E N 1.937 122.142 120.200 0.008 0.000 2.409 216 E HA 0.444 4.794 4.350 0.001 0.000 0.257 216 E C -0.288 176.311 176.600 -0.003 0.000 1.150 216 E CA -0.091 56.304 56.400 -0.007 0.000 0.942 216 E CB 0.564 30.250 29.700 -0.024 0.000 0.979 216 E HN 0.098 nan 8.360 nan 0.000 0.447 217 E N 0.300 120.493 120.200 -0.011 0.000 2.413 217 E HA -0.027 4.324 4.350 0.001 0.000 0.263 217 E C 0.917 177.513 176.600 -0.006 0.000 1.015 217 E CA 0.241 56.636 56.400 -0.009 0.000 0.916 217 E CB 0.814 30.506 29.700 -0.014 0.000 0.947 217 E HN 0.606 nan 8.360 nan 0.000 0.440 218 R N 2.190 122.686 120.500 -0.007 0.000 2.117 218 R HA -0.173 4.168 4.340 0.001 0.000 0.243 218 R C 2.365 178.660 176.300 -0.009 0.000 1.143 218 R CA 2.629 58.724 56.100 -0.010 0.000 0.968 218 R CB -0.915 29.374 30.300 -0.018 0.000 0.863 218 R HN 0.565 nan 8.270 nan 0.000 0.444 219 S N -0.422 115.272 115.700 -0.010 0.000 2.402 219 S HA -0.078 4.392 4.470 0.001 0.000 0.229 219 S C 2.040 176.636 174.600 -0.007 0.000 1.021 219 S CA 1.183 59.377 58.200 -0.009 0.000 0.974 219 S CB -0.412 62.783 63.200 -0.009 0.000 0.800 219 S HN 0.390 nan 8.310 nan 0.000 0.484 220 L N 1.114 122.330 121.223 -0.011 0.000 2.240 220 L HA -0.019 4.321 4.340 0.001 0.000 0.211 220 L C 2.842 179.716 176.870 0.007 0.000 1.106 220 L CA 1.252 56.083 54.840 -0.016 0.000 0.793 220 L CB -1.132 40.902 42.059 -0.042 0.000 0.927 220 L HN 0.362 nan 8.230 nan 0.000 0.446 221 T N 0.583 115.152 114.554 0.025 0.000 2.684 221 T HA -0.191 4.159 4.350 0.001 0.000 0.267 221 T C 1.956 176.695 174.700 0.065 0.000 1.036 221 T CA 1.364 63.509 62.100 0.075 0.000 1.148 221 T CB -0.222 68.691 68.868 0.076 0.000 0.863 221 T HN 0.197 nan 8.240 nan 0.000 0.436 222 L N 0.447 121.681 121.223 0.018 0.000 2.044 222 L HA -0.017 4.323 4.340 0.001 0.000 0.205 222 L C 2.865 179.750 176.870 0.024 0.000 1.075 222 L CA 1.347 56.191 54.840 0.007 0.000 0.747 222 L CB -0.522 41.531 42.059 -0.009 0.000 0.903 222 L HN 0.310 nan 8.230 nan 0.000 0.435 223 E N 0.090 120.301 120.200 0.019 0.000 2.110 223 E HA -0.247 4.103 4.350 0.001 0.000 0.193 223 E C 2.280 178.902 176.600 0.036 0.000 0.988 223 E CA 1.200 57.613 56.400 0.022 0.000 0.804 223 E CB 0.142 29.848 29.700 0.010 0.000 0.745 223 E HN 0.293 nan 8.360 nan 0.000 0.458 224 M N 0.248 119.871 119.600 0.039 0.000 2.254 224 M HA -0.069 4.411 4.480 0.001 0.000 0.265 224 M C 2.213 178.559 176.300 0.077 0.000 1.066 224 M CA 1.222 56.551 55.300 0.048 0.000 1.123 224 M CB -1.003 31.615 32.600 0.030 0.000 1.388 224 M HN 0.070 nan 8.290 nan 0.000 0.425 225 T N 0.436 115.051 114.554 0.102 0.000 2.777 225 T HA -0.126 4.224 4.350 0.001 0.000 0.266 225 T C 1.758 176.506 174.700 0.081 0.000 1.040 225 T CA 1.356 63.530 62.100 0.124 0.000 1.141 225 T CB -0.106 68.845 68.868 0.138 0.000 0.868 225 T HN 0.456 nan 8.240 nan 0.000 0.444 226 E N 0.482 120.717 120.200 0.058 0.000 2.058 226 E HA -0.105 4.245 4.350 0.001 0.000 0.194 226 E C 2.362 178.992 176.600 0.051 0.000 0.997 226 E CA 1.063 57.486 56.400 0.039 0.000 0.801 226 E CB -0.263 29.453 29.700 0.027 0.000 0.746 226 E HN 0.242 nan 8.360 nan 0.000 0.450 227 V N 1.122 121.087 119.914 0.084 0.000 2.295 227 V HA -0.262 3.858 4.120 0.001 0.000 0.246 227 V C 2.311 178.545 176.094 0.233 0.000 1.049 227 V CA 2.185 64.580 62.300 0.159 0.000 1.024 227 V CB -0.813 31.094 31.823 0.139 0.000 0.648 227 V HN 0.337 nan 8.190 nan 0.000 0.447 228 T N 0.056 114.700 114.554 0.150 0.000 2.674 228 T HA -0.174 4.177 4.350 0.001 0.000 0.265 228 T C 1.957 176.724 174.700 0.111 0.000 1.039 228 T CA 1.735 63.917 62.100 0.138 0.000 1.150 228 T CB -0.327 68.583 68.868 0.070 0.000 0.864 228 T HN 0.265 nan 8.240 nan 0.000 0.427 229 V N 1.415 121.361 119.914 0.054 0.000 2.490 229 V HA -0.159 3.961 4.120 0.001 0.000 0.250 229 V C 2.506 178.556 176.094 -0.073 0.000 1.061 229 V CA 1.600 63.900 62.300 0.000 0.000 1.064 229 V CB -0.609 31.219 31.823 0.009 0.000 0.670 229 V HN 0.552 nan 8.190 nan 0.000 0.461 230 E N -0.314 119.811 120.200 -0.126 0.000 2.171 230 E HA -0.230 4.120 4.350 0.001 0.000 0.197 230 E C 1.341 177.536 176.600 -0.676 0.000 0.997 230 E CA 1.526 57.680 56.400 -0.410 0.000 0.810 230 E CB -0.026 29.360 29.700 -0.522 0.000 0.738 230 E HN 0.707 nan 8.360 nan 0.000 0.467 231 F N -0.127 119.785 119.950 -0.063 0.000 2.639 231 F HA 0.298 4.825 4.527 0.001 0.000 0.302 231 F C 0.057 175.767 175.800 -0.149 0.000 1.097 231 F CA -0.156 57.790 58.000 -0.089 0.000 1.294 231 F CB 0.530 39.480 39.000 -0.082 0.000 1.027 231 F HN -0.159 nan 8.300 nan 0.000 0.550 232 L N 1.428 122.606 121.223 -0.074 0.000 2.329 232 L HA 0.487 4.828 4.340 0.001 0.000 0.279 232 L C -2.316 174.472 176.870 -0.136 0.000 1.014 232 L CA -2.221 52.505 54.840 -0.188 0.000 0.814 232 L CB 1.541 43.504 42.059 -0.160 0.000 1.257 232 L HN -0.235 nan 8.230 nan 0.000 0.424 233 P HA 0.007 nan 4.420 nan 0.000 0.262 233 P C 0.001 177.311 177.300 0.017 0.000 1.182 233 P CA 0.131 63.212 63.100 -0.032 0.000 0.761 233 P CB 0.564 32.279 31.700 0.025 0.000 0.795 234 E N 1.607 121.826 120.200 0.032 0.000 2.338 234 E HA -0.171 4.180 4.350 0.001 0.000 0.197 234 E C 0.903 177.602 176.600 0.165 0.000 1.007 234 E CA 1.015 57.461 56.400 0.077 0.000 0.849 234 E CB -0.120 29.611 29.700 0.053 0.000 0.774 234 E HN 0.584 nan 8.360 nan 0.000 0.506 235 D N 0.051 120.547 120.400 0.159 0.000 2.328 235 D HA 0.022 4.662 4.640 0.001 0.000 0.221 235 D C 0.050 176.561 176.300 0.351 0.000 1.072 235 D CA 0.179 54.325 54.000 0.243 0.000 0.850 235 D CB 0.139 41.032 40.800 0.154 0.000 0.922 235 D HN -0.059 nan 8.370 nan 0.000 0.516 236 K N 0.292 120.801 120.400 0.183 0.000 2.435 236 K HA 0.478 4.799 4.320 0.001 0.000 0.251 236 K C -2.921 173.406 176.600 -0.455 0.000 0.954 236 K CA -2.285 53.968 56.287 -0.057 0.000 0.820 236 K CB 2.301 34.826 32.500 0.042 0.000 1.292 236 K HN -0.184 nan 8.250 nan 0.000 0.436 237 P HA 0.140 nan 4.420 nan 0.000 0.268 237 P C -1.117 175.962 177.300 -0.369 0.000 1.205 237 P CA -0.309 62.298 63.100 -0.821 0.000 0.771 237 P CB 0.529 31.867 31.700 -0.605 0.000 0.858 238 R N 2.227 122.608 120.500 -0.198 0.000 2.338 238 R HA 0.447 4.788 4.340 0.001 0.000 0.317 238 R C -0.899 175.409 176.300 0.014 0.000 0.968 238 R CA -0.472 55.596 56.100 -0.052 0.000 0.849 238 R CB 0.404 30.691 30.300 -0.022 0.000 1.128 238 R HN 0.448 nan 8.270 nan 0.000 0.448 239 Y N 4.322 124.575 120.300 -0.079 0.000 2.338 239 Y HA 0.403 4.953 4.550 0.001 0.000 0.328 239 Y C -1.624 174.231 175.900 -0.074 0.000 0.965 239 Y CA -2.536 55.508 58.100 -0.093 0.000 1.208 239 Y CB 0.590 39.086 38.460 0.060 0.000 1.132 239 Y HN 0.597 nan 8.280 nan 0.000 0.469 240 F N 7.534 127.353 119.950 -0.219 0.000 2.421 240 F HA 0.454 4.982 4.527 0.001 0.000 0.358 240 F C -0.342 175.257 175.800 -0.335 0.000 1.115 240 F CA -0.512 57.334 58.000 -0.257 0.000 1.160 240 F CB 0.574 39.525 39.000 -0.081 0.000 1.123 240 F HN 0.537 nan 8.300 nan 0.000 0.508 241 M N 6.452 125.517 119.600 -0.892 0.000 2.143 241 M HA 0.381 4.862 4.480 0.001 0.000 0.348 241 M C 0.603 176.663 176.300 -0.399 0.000 1.375 241 M CA 0.537 55.423 55.300 -0.690 0.000 1.124 241 M CB 0.090 32.263 32.600 -0.711 0.000 1.669 241 M HN 0.919 nan 8.290 nan 0.000 0.469 242 G N 1.806 110.576 108.800 -0.050 0.000 2.728 242 G HA2 0.056 4.016 3.960 0.001 0.000 0.294 242 G HA3 0.056 4.016 3.960 0.001 0.000 0.294 242 G C 0.399 175.441 174.900 0.237 0.000 1.342 242 G CA -0.259 44.846 45.100 0.009 0.000 0.866 242 G HN 1.384 nan 8.290 nan 0.000 0.534 243 G N -1.209 107.672 108.800 0.135 0.000 2.269 243 G HA2 0.167 4.127 3.960 0.001 0.000 0.277 243 G HA3 0.167 4.127 3.960 0.001 0.000 0.277 243 G C 1.483 176.450 174.900 0.112 0.000 1.008 243 G CA 1.452 46.626 45.100 0.123 0.000 0.774 243 G HN 2.443 nan 8.290 nan 0.000 0.511 244 G N 0.582 109.520 108.800 0.229 0.000 3.003 244 G HA2 0.477 4.437 3.960 0.001 0.000 0.266 244 G HA3 0.477 4.437 3.960 0.001 0.000 0.266 244 G C 0.781 175.670 174.900 -0.019 0.000 0.755 244 G CA 0.873 46.099 45.100 0.210 0.000 2.061 244 G HN 1.491 nan 8.290 nan 0.000 0.599 245 S N 1.315 116.848 115.700 -0.279 0.000 2.601 245 S HA 0.410 4.881 4.470 0.001 0.000 0.271 245 S C -1.297 173.075 174.600 -0.381 0.000 1.305 245 S CA -1.212 56.679 58.200 -0.516 0.000 1.022 245 S CB 2.381 65.113 63.200 -0.780 0.000 0.940 245 S HN 0.045 nan 8.310 nan 0.000 0.525 246 P HA -0.138 nan 4.420 nan 0.000 0.215 246 P C 1.492 178.613 177.300 -0.298 0.000 1.153 246 P CA 1.526 64.358 63.100 -0.448 0.000 0.853 246 P CB 0.006 31.227 31.700 -0.799 0.000 0.788 247 E N -0.509 119.564 120.200 -0.211 0.000 2.058 247 E HA -0.218 4.132 4.350 0.001 0.000 0.194 247 E C 1.867 178.383 176.600 -0.139 0.000 0.997 247 E CA 1.170 57.507 56.400 -0.105 0.000 0.801 247 E CB -0.949 28.735 29.700 -0.026 0.000 0.746 247 E HN -0.002 nan 8.360 nan 0.000 0.450 248 L N 0.698 121.808 121.223 -0.189 0.000 2.044 248 L HA -0.014 4.327 4.340 0.001 0.000 0.205 248 L C 2.231 178.947 176.870 -0.257 0.000 1.075 248 L CA 1.535 56.252 54.840 -0.205 0.000 0.747 248 L CB -0.502 41.425 42.059 -0.220 0.000 0.903 248 L HN 0.327 nan 8.230 nan 0.000 0.435 249 I N -0.953 119.401 120.570 -0.360 0.000 2.151 249 I HA -0.357 3.814 4.170 0.001 0.000 0.243 249 I C 2.271 178.165 176.117 -0.372 0.000 1.080 249 I CA 1.323 62.231 61.300 -0.653 0.000 1.339 249 I CB -0.373 37.153 38.000 -0.789 0.000 1.039 249 I HN 0.268 nan 8.210 nan 0.000 0.409 250 L N 0.045 121.157 121.223 -0.185 0.000 2.109 250 L HA -0.155 4.186 4.340 0.001 0.000 0.207 250 L C 2.527 179.465 176.870 0.114 0.000 1.086 250 L CA 1.616 56.467 54.840 0.019 0.000 0.760 250 L CB -0.746 41.298 42.059 -0.025 0.000 0.910 250 L HN 0.164 nan 8.230 nan 0.000 0.437 251 E N -0.262 119.945 120.200 0.011 0.000 2.118 251 E HA -0.190 4.161 4.350 0.001 0.000 0.195 251 E C 2.311 178.940 176.600 0.048 0.000 0.992 251 E CA 1.267 57.684 56.400 0.028 0.000 0.804 251 E CB -0.275 29.407 29.700 -0.031 0.000 0.741 251 E HN 0.458 nan 8.360 nan 0.000 0.458 252 L N 0.090 121.326 121.223 0.021 0.000 2.131 252 L HA -0.085 4.256 4.340 0.001 0.000 0.206 252 L C 2.538 179.540 176.870 0.220 0.000 1.087 252 L CA 0.285 55.181 54.840 0.094 0.000 0.767 252 L CB -0.348 41.772 42.059 0.102 0.000 0.917 252 L HN -0.062 nan 8.230 nan 0.000 0.441 253 V N 0.134 120.213 119.914 0.275 0.000 2.282 253 V HA -0.356 3.764 4.120 0.001 0.000 0.249 253 V C 2.129 178.260 176.094 0.060 0.000 1.057 253 V CA 2.229 64.661 62.300 0.220 0.000 1.032 253 V CB -0.497 31.437 31.823 0.186 0.000 0.645 253 V HN 0.465 nan 8.190 nan 0.000 0.447 254 D N -0.567 119.917 120.400 0.141 0.000 2.354 254 D HA -0.131 4.509 4.640 0.001 0.000 0.216 254 D C 2.119 178.452 176.300 0.056 0.000 0.970 254 D CA 1.002 55.079 54.000 0.127 0.000 0.905 254 D CB -0.053 40.945 40.800 0.331 0.000 0.903 254 D HN 0.394 nan 8.370 nan 0.000 0.508 255 R N -2.020 118.515 120.500 0.059 0.000 2.476 255 R HA 0.338 4.678 4.340 0.001 0.000 0.276 255 R C 1.049 177.371 176.300 0.036 0.000 0.941 255 R CA 0.495 56.618 56.100 0.038 0.000 1.088 255 R CB 1.125 31.451 30.300 0.043 0.000 1.216 255 R HN 0.083 nan 8.270 nan 0.000 0.533 256 G N 0.611 109.438 108.800 0.044 0.000 2.154 256 G HA2 -0.207 3.754 3.960 0.001 0.000 0.186 256 G HA3 -0.207 3.754 3.960 0.001 0.000 0.186 256 G C -0.010 174.927 174.900 0.062 0.000 1.000 256 G CA -0.357 44.767 45.100 0.041 0.000 0.664 256 G HN 0.068 nan 8.290 nan 0.000 0.513 257 V N 1.299 121.273 119.914 0.098 0.000 2.583 257 V HA 0.399 4.519 4.120 0.001 0.000 0.287 257 V C 0.870 177.000 176.094 0.060 0.000 1.051 257 V CA 0.275 62.606 62.300 0.052 0.000 1.010 257 V CB 1.577 33.419 31.823 0.032 0.000 0.988 257 V HN 0.239 nan 8.190 nan 0.000 0.478 258 D N 2.587 122.955 120.400 -0.053 0.000 2.379 258 D HA 0.201 4.841 4.640 0.001 0.000 0.218 258 D C 0.300 176.576 176.300 -0.039 0.000 1.006 258 D CA 0.846 54.866 54.000 0.034 0.000 0.893 258 D CB 0.606 41.422 40.800 0.027 0.000 1.019 258 D HN 0.431 nan 8.370 nan 0.000 0.503 259 M N 0.117 119.522 119.600 -0.325 0.000 2.464 259 M HA 0.462 4.942 4.480 0.001 0.000 0.308 259 M C -1.408 174.545 176.300 -0.578 0.000 1.127 259 M CA -0.572 54.566 55.300 -0.270 0.000 0.913 259 M CB 2.809 35.280 32.600 -0.215 0.000 1.689 259 M HN -0.302 nan 8.290 nan 0.000 0.445 260 F N 0.078 120.142 119.950 0.191 0.000 2.613 260 F HA 0.593 5.120 4.527 0.001 0.000 0.310 260 F C -0.848 174.968 175.800 0.027 0.000 1.085 260 F CA -0.913 57.248 58.000 0.269 0.000 0.945 260 F CB 1.990 41.179 39.000 0.317 0.000 1.298 260 F HN 0.631 nan 8.300 nan 0.000 0.455 261 D N -0.526 120.045 120.400 0.286 0.000 2.661 261 D HA 0.680 5.321 4.640 0.001 0.000 0.228 261 D C -1.394 175.015 176.300 0.183 0.000 1.210 261 D CA -0.595 53.364 54.000 -0.069 0.000 0.826 261 D CB 2.356 43.148 40.800 -0.013 0.000 1.542 261 D HN 0.551 nan 8.370 nan 0.000 0.447 262 S N 0.183 115.996 115.700 0.190 0.000 2.558 262 S HA 0.288 4.759 4.470 0.001 0.000 0.277 262 S C 0.348 175.132 174.600 0.307 0.000 1.143 262 S CA -0.357 58.036 58.200 0.321 0.000 0.865 262 S CB 1.371 64.847 63.200 0.460 0.000 1.102 262 S HN 1.035 nan 8.310 nan 0.000 0.454 263 V N 2.970 123.017 119.914 0.222 0.000 3.305 263 V HA 0.174 4.294 4.120 0.001 0.000 0.269 263 V C 1.699 177.936 176.094 0.238 0.000 1.157 263 V CA 1.616 64.033 62.300 0.195 0.000 1.157 263 V CB -1.410 30.498 31.823 0.142 0.000 0.772 263 V HN 0.831 nan 8.190 nan 0.000 0.498 264 F N 3.251 123.280 119.950 0.131 0.000 2.063 264 F HA -0.068 4.460 4.527 0.001 0.000 0.298 264 F C -0.035 175.807 175.800 0.071 0.000 1.109 264 F CA 2.651 60.702 58.000 0.085 0.000 1.212 264 F CB -1.630 37.406 39.000 0.061 0.000 0.973 264 F HN 0.286 nan 8.300 nan 0.000 0.480 265 P HA -0.132 nan 4.420 nan 0.000 0.216 265 P C 1.724 178.966 177.300 -0.098 0.000 1.153 265 P CA 2.873 65.871 63.100 -0.169 0.000 0.848 265 P CB -0.609 31.079 31.700 -0.021 0.000 0.787 266 T N -2.491 112.067 114.554 0.007 0.000 2.809 266 T HA -0.061 4.289 4.350 0.001 0.000 0.260 266 T C 2.028 176.739 174.700 0.018 0.000 1.039 266 T CA 0.676 62.788 62.100 0.021 0.000 1.141 266 T CB -0.771 68.124 68.868 0.045 0.000 0.869 266 T HN -0.024 nan 8.240 nan 0.000 0.437 267 R N 1.400 121.923 120.500 0.039 0.000 2.091 267 R HA -0.027 4.313 4.340 0.001 0.000 0.238 267 R C 2.700 179.083 176.300 0.138 0.000 1.136 267 R CA 1.848 58.007 56.100 0.099 0.000 0.959 267 R CB -0.579 29.796 30.300 0.125 0.000 0.856 267 R HN 0.747 nan 8.270 nan 0.000 0.437 268 I N -2.266 118.272 120.570 -0.054 0.000 2.546 268 I HA 0.037 4.208 4.170 0.001 0.000 0.255 268 I C 2.179 178.273 176.117 -0.039 0.000 1.163 268 I CA 1.320 62.566 61.300 -0.090 0.000 1.457 268 I CB -0.468 37.293 38.000 -0.397 0.000 1.092 268 I HN 0.076 nan 8.210 nan 0.000 0.434 269 A N 2.482 125.274 122.820 -0.046 0.000 1.883 269 A HA -0.196 4.124 4.320 0.001 0.000 0.217 269 A C 2.483 180.118 177.584 0.085 0.000 1.186 269 A CA 1.853 53.900 52.037 0.018 0.000 0.624 269 A CB -0.726 18.297 19.000 0.037 0.000 0.822 269 A HN 0.515 nan 8.150 nan 0.000 0.444 270 R N -1.468 119.065 120.500 0.055 0.000 2.152 270 R HA -0.116 4.224 4.340 0.001 0.000 0.232 270 R C 1.617 177.869 176.300 -0.080 0.000 1.117 270 R CA 1.488 57.594 56.100 0.010 0.000 0.981 270 R CB -0.446 29.798 30.300 -0.093 0.000 0.870 270 R HN 0.732 nan 8.270 nan 0.000 0.451 271 H N -0.967 118.110 119.070 0.012 0.000 2.551 271 H HA 0.113 4.670 4.556 0.001 0.000 0.266 271 H C 1.166 176.354 175.328 -0.233 0.000 0.977 271 H CA 0.840 56.855 56.048 -0.056 0.000 1.163 271 H CB 0.556 30.277 29.762 -0.067 0.000 1.381 271 H HN 0.488 nan 8.280 nan 0.000 0.581 272 G N 0.103 108.702 108.800 -0.336 0.000 2.148 272 G HA2 -0.245 3.716 3.960 0.001 0.000 0.203 272 G HA3 -0.245 3.716 3.960 0.001 0.000 0.203 272 G C 0.189 174.797 174.900 -0.487 0.000 0.993 272 G CA 0.148 44.681 45.100 -0.944 0.000 0.661 272 G HN 0.343 nan 8.290 nan 0.000 0.518 273 T N 1.006 115.417 114.554 -0.239 0.000 2.779 273 T HA 0.730 5.081 4.350 0.001 0.000 0.280 273 T C 0.344 174.975 174.700 -0.115 0.000 0.987 273 T CA 0.504 62.509 62.100 -0.159 0.000 0.966 273 T CB 1.738 70.531 68.868 -0.124 0.000 0.933 273 T HN 1.275 nan 8.240 nan 0.000 0.442 274 A N 3.650 126.420 122.820 -0.084 0.000 2.306 274 A HA 0.739 5.059 4.320 0.001 0.000 0.314 274 A C -0.254 177.291 177.584 -0.065 0.000 1.164 274 A CA -0.695 51.330 52.037 -0.020 0.000 0.822 274 A CB 0.329 19.302 19.000 -0.045 0.000 1.130 274 A HN 0.865 nan 8.150 nan 0.000 0.496 275 L N 2.816 123.987 121.223 -0.087 0.000 2.260 275 L HA 0.455 4.795 4.340 0.001 0.000 0.289 275 L C 0.802 177.288 176.870 -0.640 0.000 1.057 275 L CA -0.206 54.439 54.840 -0.324 0.000 0.811 275 L CB 0.950 42.773 42.059 -0.393 0.000 1.184 275 L HN 0.949 nan 8.230 nan 0.000 0.429 276 T N -2.345 111.854 114.554 -0.592 0.000 2.888 276 T HA 0.303 4.653 4.350 0.001 0.000 0.288 276 T C 0.329 174.777 174.700 -0.421 0.000 1.063 276 T CA -0.663 61.173 62.100 -0.440 0.000 1.010 276 T CB 1.000 69.809 68.868 -0.099 0.000 1.214 276 T HN 0.509 nan 8.240 nan 0.000 0.533 277 W N 0.535 121.887 121.300 0.087 0.000 2.825 277 W HA 0.208 4.868 4.660 0.001 0.000 0.243 277 W C 1.465 178.039 176.519 0.092 0.000 1.293 277 W CA -0.255 57.233 57.345 0.238 0.000 1.403 277 W CB 0.037 29.643 29.460 0.244 0.000 1.134 277 W HN 0.572 nan 8.180 nan 0.000 0.666 278 N N -0.109 118.674 118.700 0.139 0.000 2.273 278 N HA 0.245 4.985 4.740 0.001 0.000 0.231 278 N C 0.694 176.091 175.510 -0.187 0.000 1.134 278 N CA 0.994 54.051 53.050 0.011 0.000 0.856 278 N CB 0.558 39.049 38.487 0.007 0.000 1.068 278 N HN 0.105 nan 8.380 nan 0.000 0.510 279 G N 1.111 109.671 108.800 -0.401 0.000 2.627 279 G HA2 -0.224 3.736 3.960 0.001 0.000 0.214 279 G HA3 -0.224 3.736 3.960 0.001 0.000 0.214 279 G C -0.843 173.754 174.900 -0.506 0.000 1.331 279 G CA -0.857 43.716 45.100 -0.879 0.000 0.891 279 G HN 0.195 nan 8.290 nan 0.000 0.539 280 K N -0.509 119.647 120.400 -0.406 0.000 2.401 280 K HA 0.423 4.743 4.320 0.001 0.000 0.278 280 K C -0.246 176.287 176.600 -0.112 0.000 1.018 280 K CA -0.257 55.941 56.287 -0.148 0.000 0.981 280 K CB 1.062 33.528 32.500 -0.057 0.000 0.933 280 K HN 0.533 nan 8.250 nan 0.000 0.477 281 L N 3.469 124.647 121.223 -0.075 0.000 2.319 281 L HA 0.268 4.609 4.340 0.001 0.000 0.281 281 L C -0.959 175.896 176.870 -0.024 0.000 1.005 281 L CA -0.498 54.331 54.840 -0.018 0.000 0.828 281 L CB 1.234 43.278 42.059 -0.027 0.000 1.227 281 L HN 0.464 nan 8.230 nan 0.000 0.415 282 N N 5.245 123.955 118.700 0.018 0.000 2.469 282 N HA 0.126 4.867 4.740 0.001 0.000 0.239 282 N C 0.630 176.061 175.510 -0.131 0.000 1.053 282 N CA -0.333 52.672 53.050 -0.076 0.000 0.937 282 N CB 0.537 38.984 38.487 -0.066 0.000 1.163 282 N HN 0.660 nan 8.380 nan 0.000 0.509 283 L N 2.840 123.957 121.223 -0.176 0.000 2.362 283 L HA -0.051 4.290 4.340 0.001 0.000 0.219 283 L C 1.565 178.393 176.870 -0.070 0.000 1.134 283 L CA 1.156 55.919 54.840 -0.127 0.000 0.807 283 L CB -0.447 41.521 42.059 -0.152 0.000 0.927 283 L HN 0.606 nan 8.230 nan 0.000 0.447 284 K N -0.158 120.121 120.400 -0.202 0.000 2.366 284 K HA 0.082 4.402 4.320 0.001 0.000 0.198 284 K C 1.032 177.606 176.600 -0.044 0.000 1.044 284 K CA 0.135 56.334 56.287 -0.146 0.000 0.973 284 K CB 0.150 32.520 32.500 -0.216 0.000 0.767 284 K HN 0.198 nan 8.250 nan 0.000 0.475 285 A N 1.328 124.006 122.820 -0.237 0.000 2.425 285 A HA 0.048 4.368 4.320 0.001 0.000 0.242 285 A C 1.253 178.548 177.584 -0.482 0.000 1.077 285 A CA 0.115 51.854 52.037 -0.497 0.000 0.781 285 A CB 0.411 18.686 19.000 -1.209 0.000 1.020 285 A HN 0.281 nan 8.150 nan 0.000 0.494 286 S N 0.304 115.777 115.700 -0.378 0.000 2.522 286 S HA -0.123 4.347 4.470 0.001 0.000 0.227 286 S C 1.164 175.603 174.600 -0.268 0.000 0.986 286 S CA 1.133 59.169 58.200 -0.274 0.000 0.929 286 S CB -0.720 62.422 63.200 -0.096 0.000 0.769 286 S HN 0.955 nan 8.310 nan 0.000 0.529 287 Y N 1.148 121.381 120.300 -0.111 0.000 2.619 287 Y HA 0.416 4.966 4.550 0.001 0.000 0.308 287 Y C 1.377 177.201 175.900 -0.126 0.000 1.192 287 Y CA -0.487 57.553 58.100 -0.100 0.000 1.319 287 Y CB -1.155 37.267 38.460 -0.064 0.000 1.030 287 Y HN 0.204 nan 8.280 nan 0.000 0.517 288 N N 0.740 119.336 118.700 -0.174 0.000 2.294 288 N HA -0.026 4.714 4.740 0.001 0.000 0.186 288 N C 1.486 176.832 175.510 -0.274 0.000 1.107 288 N CA 0.219 53.177 53.050 -0.154 0.000 0.884 288 N CB 0.081 38.487 38.487 -0.134 0.000 1.030 288 N HN 0.429 nan 8.380 nan 0.000 0.482 289 K N 1.460 121.555 120.400 -0.508 0.000 2.103 289 K HA -0.021 4.299 4.320 0.001 0.000 0.207 289 K C 0.997 177.537 176.600 -0.100 0.000 1.048 289 K CA 1.255 57.283 56.287 -0.433 0.000 0.930 289 K CB 0.209 32.512 32.500 -0.328 0.000 0.716 289 K HN 0.050 nan 8.250 nan 0.000 0.444 290 R N -0.128 120.332 120.500 -0.066 0.000 2.577 290 R HA 0.123 4.463 4.340 0.001 0.000 0.344 290 R C -0.290 176.014 176.300 0.006 0.000 1.037 290 R CA -0.190 55.904 56.100 -0.010 0.000 1.102 290 R CB 1.179 31.474 30.300 -0.008 0.000 1.313 290 R HN -0.053 nan 8.270 nan 0.000 0.561 291 S N 0.886 116.591 115.700 0.009 0.000 2.505 291 S HA 0.192 4.662 4.470 0.001 0.000 0.276 291 S C 0.894 175.519 174.600 0.042 0.000 1.274 291 S CA -0.446 57.770 58.200 0.026 0.000 1.053 291 S CB 0.521 63.741 63.200 0.034 0.000 0.919 291 S HN 0.308 nan 8.310 nan 0.000 0.490 292 L N 3.717 124.959 121.223 0.032 0.000 2.653 292 L HA 0.317 4.657 4.340 0.001 0.000 0.231 292 L C 0.670 177.559 176.870 0.032 0.000 1.153 292 L CA -0.018 54.842 54.840 0.032 0.000 0.933 292 L CB -0.038 42.031 42.059 0.017 0.000 1.175 292 L HN 0.541 nan 8.230 nan 0.000 0.473 293 E N 1.475 121.696 120.200 0.036 0.000 2.283 293 E HA 0.324 4.674 4.350 0.001 0.000 0.271 293 E C -2.199 174.427 176.600 0.044 0.000 1.031 293 E CA -2.119 54.300 56.400 0.032 0.000 0.868 293 E CB 0.783 30.498 29.700 0.025 0.000 1.094 293 E HN -0.113 nan 8.360 nan 0.000 0.401 294 P HA 0.024 nan 4.420 nan 0.000 0.272 294 P C 1.127 178.436 177.300 0.015 0.000 1.240 294 P CA -0.199 62.926 63.100 0.041 0.000 0.791 294 P CB 0.810 32.532 31.700 0.038 0.000 0.978 295 V N -0.290 119.609 119.914 -0.024 0.000 2.278 295 V HA -0.180 3.940 4.120 0.001 0.000 0.251 295 V C 1.119 177.142 176.094 -0.119 0.000 1.062 295 V CA 2.271 64.494 62.300 -0.129 0.000 1.038 295 V CB -0.877 30.746 31.823 -0.333 0.000 0.646 295 V HN 0.676 nan 8.190 nan 0.000 0.447 296 D N -1.707 118.654 120.400 -0.065 0.000 2.686 296 D HA 0.416 5.056 4.640 0.001 0.000 0.249 296 D C 0.776 177.149 176.300 0.122 0.000 1.260 296 D CA 0.468 54.513 54.000 0.075 0.000 0.910 296 D CB 2.000 42.929 40.800 0.214 0.000 1.323 296 D HN 0.199 nan 8.370 nan 0.000 0.561 297 E N 3.002 123.265 120.200 0.105 0.000 2.401 297 E HA -0.130 4.221 4.350 0.001 0.000 0.199 297 E C 1.302 177.967 176.600 0.108 0.000 1.023 297 E CA 1.059 57.511 56.400 0.087 0.000 0.859 297 E CB -0.323 29.412 29.700 0.059 0.000 0.780 297 E HN 0.470 nan 8.360 nan 0.000 0.523 298 R N -1.411 119.193 120.500 0.174 0.000 2.546 298 R HA 0.306 4.646 4.340 0.001 0.000 0.320 298 R C -0.375 176.079 176.300 0.257 0.000 1.021 298 R CA -0.150 56.049 56.100 0.165 0.000 1.088 298 R CB -0.001 30.363 30.300 0.106 0.000 1.278 298 R HN 0.364 nan 8.270 nan 0.000 0.557 299 C N -0.465 119.000 119.300 0.275 0.000 2.379 299 C HA 0.557 5.017 4.460 0.001 0.000 0.323 299 C C 1.618 176.740 174.990 0.219 0.000 1.262 299 C CA -0.507 58.702 59.018 0.318 0.000 1.581 299 C CB 0.913 28.914 27.740 0.435 0.000 2.221 299 C HN 0.652 nan 8.230 nan 0.000 0.497 300 G N 3.295 112.213 108.800 0.197 0.000 3.141 300 G HA2 0.183 4.143 3.960 0.001 0.000 0.218 300 G HA3 0.183 4.143 3.960 0.001 0.000 0.218 300 G C 0.724 175.725 174.900 0.168 0.000 1.170 300 G CA 0.645 45.836 45.100 0.152 0.000 0.769 300 G HN 1.115 nan 8.290 nan 0.000 0.546 301 C N -1.908 117.522 119.300 0.218 0.000 2.639 301 C HA 0.442 4.903 4.460 0.001 0.000 0.360 301 C C 1.739 176.881 174.990 0.252 0.000 1.351 301 C CA -1.017 58.149 59.018 0.246 0.000 2.408 301 C CB 0.183 28.094 27.740 0.285 0.000 2.517 301 C HN 0.443 nan 8.230 nan 0.000 0.696 302 Y N 1.566 121.968 120.300 0.171 0.000 2.165 302 Y HA -0.094 4.456 4.550 0.001 0.000 0.286 302 Y C 2.563 178.608 175.900 0.243 0.000 1.155 302 Y CA 2.812 61.014 58.100 0.171 0.000 1.164 302 Y CB -0.825 37.742 38.460 0.179 0.000 0.978 302 Y HN 0.849 nan 8.280 nan 0.000 0.513 303 T N -0.717 114.042 114.554 0.342 0.000 2.746 303 T HA -0.232 4.118 4.350 0.001 0.000 0.267 303 T C 1.964 176.814 174.700 0.249 0.000 1.039 303 T CA 1.731 64.063 62.100 0.387 0.000 1.142 303 T CB -0.906 68.176 68.868 0.356 0.000 0.866 303 T HN 0.497 nan 8.240 nan 0.000 0.444 304 C N 0.945 120.350 119.300 0.174 0.000 2.464 304 C HA 0.153 4.613 4.460 0.001 0.000 0.278 304 C C 2.626 177.632 174.990 0.026 0.000 1.375 304 C CA -0.103 58.979 59.018 0.106 0.000 1.761 304 C CB -0.704 27.121 27.740 0.142 0.000 1.944 304 C HN 0.572 nan 8.230 nan 0.000 0.509 305 K N 0.987 121.370 120.400 -0.027 0.000 2.155 305 K HA -0.041 4.279 4.320 0.001 0.000 0.203 305 K C 1.524 177.974 176.600 -0.250 0.000 1.052 305 K CA 1.138 57.362 56.287 -0.105 0.000 0.948 305 K CB -0.002 32.442 32.500 -0.094 0.000 0.728 305 K HN 0.466 nan 8.250 nan 0.000 0.448 306 N N -0.977 117.445 118.700 -0.463 0.000 2.273 306 N HA 0.090 4.830 4.740 0.001 0.000 0.192 306 N C -0.660 174.285 175.510 -0.943 0.000 1.132 306 N CA 0.296 52.831 53.050 -0.858 0.000 0.887 306 N CB 0.704 38.296 38.487 -1.492 0.000 1.048 306 N HN -0.044 nan 8.380 nan 0.000 0.490 307 F N 0.520 120.417 119.950 -0.089 0.000 2.577 307 F HA 0.338 4.866 4.527 0.001 0.000 0.318 307 F C 0.720 176.544 175.800 0.039 0.000 1.065 307 F CA -1.128 56.870 58.000 -0.004 0.000 0.929 307 F CB 1.240 40.317 39.000 0.129 0.000 1.237 307 F HN -0.285 nan 8.300 nan 0.000 0.468 308 T N -2.050 112.676 114.554 0.288 0.000 2.934 308 T HA 0.414 4.764 4.350 0.001 0.000 0.283 308 T C 1.051 175.888 174.700 0.228 0.000 1.005 308 T CA -0.794 61.426 62.100 0.199 0.000 1.041 308 T CB 1.535 70.490 68.868 0.145 0.000 1.042 308 T HN 0.643 nan 8.240 nan 0.000 0.505 309 R N 0.564 121.152 120.500 0.147 0.000 2.117 309 R HA -0.121 4.219 4.340 0.001 0.000 0.243 309 R C 2.728 179.123 176.300 0.159 0.000 1.143 309 R CA 1.538 57.715 56.100 0.129 0.000 0.968 309 R CB -0.770 29.578 30.300 0.080 0.000 0.863 309 R HN 0.773 nan 8.270 nan 0.000 0.444 310 S N 0.177 115.966 115.700 0.149 0.000 2.359 310 S HA -0.246 4.224 4.470 0.001 0.000 0.223 310 S C 1.823 176.596 174.600 0.287 0.000 1.039 310 S CA 1.499 59.804 58.200 0.175 0.000 1.042 310 S CB -0.363 62.912 63.200 0.125 0.000 0.915 310 S HN 0.455 nan 8.310 nan 0.000 0.439 311 Y N 1.669 122.069 120.300 0.167 0.000 2.181 311 Y HA -0.019 4.532 4.550 0.001 0.000 0.288 311 Y C 1.945 177.961 175.900 0.193 0.000 1.146 311 Y CA 1.644 59.859 58.100 0.192 0.000 1.164 311 Y CB -0.511 38.063 38.460 0.191 0.000 0.982 311 Y HN 0.325 nan 8.280 nan 0.000 0.515 312 I N -0.761 119.886 120.570 0.128 0.000 2.252 312 I HA -0.324 3.846 4.170 0.001 0.000 0.245 312 I C 2.414 178.618 176.117 0.145 0.000 1.102 312 I CA 1.801 63.122 61.300 0.034 0.000 1.385 312 I CB -0.626 37.454 38.000 0.132 0.000 1.064 312 I HN 0.268 nan 8.210 nan 0.000 0.414 313 H N 0.337 119.459 119.070 0.087 0.000 2.319 313 H HA -0.313 4.243 4.556 0.001 0.000 0.297 313 H C 2.348 177.712 175.328 0.060 0.000 1.097 313 H CA 2.480 58.572 56.048 0.073 0.000 1.285 313 H CB -0.216 29.568 29.762 0.036 0.000 1.368 313 H HN 0.413 nan 8.280 nan 0.000 0.495 314 H N -0.114 118.968 119.070 0.021 0.000 2.319 314 H HA -0.121 4.436 4.556 0.001 0.000 0.299 314 H C 2.238 177.448 175.328 -0.197 0.000 1.092 314 H CA 2.160 58.163 56.048 -0.075 0.000 1.302 314 H CB -0.483 29.278 29.762 -0.002 0.000 1.373 314 H HN 0.415 nan 8.280 nan 0.000 0.497 315 L N -1.050 119.831 121.223 -0.570 0.000 2.017 315 L HA -0.168 4.172 4.340 0.001 0.000 0.208 315 L C 2.266 178.805 176.870 -0.552 0.000 1.073 315 L CA 1.411 55.850 54.840 -0.667 0.000 0.745 315 L CB -0.545 41.103 42.059 -0.685 0.000 0.894 315 L HN 0.256 nan 8.230 nan 0.000 0.432 316 F N 0.351 120.087 119.950 -0.358 0.000 2.186 316 F HA -0.236 4.291 4.527 0.001 0.000 0.299 316 F C 2.314 177.928 175.800 -0.310 0.000 1.090 316 F CA 1.744 59.567 58.000 -0.296 0.000 1.307 316 F CB -0.494 38.354 39.000 -0.253 0.000 1.019 316 F HN 0.182 nan 8.300 nan 0.000 0.489 317 D N -0.100 120.169 120.400 -0.218 0.000 2.149 317 D HA -0.181 4.459 4.640 0.001 0.000 0.198 317 D C 1.951 178.131 176.300 -0.200 0.000 0.990 317 D CA 1.182 55.045 54.000 -0.227 0.000 0.839 317 D CB 0.133 40.783 40.800 -0.250 0.000 0.948 317 D HN -0.146 nan 8.370 nan 0.000 0.460 318 R N -0.822 119.497 120.500 -0.301 0.000 2.317 318 R HA 0.320 4.661 4.340 0.001 0.000 0.208 318 R C 1.411 177.578 176.300 -0.220 0.000 0.914 318 R CA 0.601 56.544 56.100 -0.261 0.000 1.060 318 R CB -0.238 29.842 30.300 -0.367 0.000 1.015 318 R HN 0.263 nan 8.270 nan 0.000 0.498 319 G N 1.141 109.804 108.800 -0.227 0.000 2.147 319 G HA2 -0.245 3.716 3.960 0.001 0.000 0.244 319 G HA3 -0.245 3.716 3.960 0.001 0.000 0.244 319 G C -0.275 174.476 174.900 -0.248 0.000 1.005 319 G CA -0.130 44.850 45.100 -0.200 0.000 0.713 319 G HN 0.231 nan 8.290 nan 0.000 0.515 320 E N 0.134 120.130 120.200 -0.340 0.000 2.194 320 E HA 0.342 4.692 4.350 0.001 0.000 0.284 320 E C 1.620 177.983 176.600 -0.395 0.000 1.035 320 E CA -0.311 55.892 56.400 -0.328 0.000 0.836 320 E CB 1.589 31.074 29.700 -0.358 0.000 1.070 320 E HN 0.087 nan 8.360 nan 0.000 0.401 321 V N 4.261 124.004 119.914 -0.284 0.000 2.720 321 V HA -0.251 3.869 4.120 0.001 0.000 0.256 321 V C 2.191 178.119 176.094 -0.277 0.000 1.082 321 V CA 0.990 63.131 62.300 -0.265 0.000 1.101 321 V CB -0.513 31.210 31.823 -0.166 0.000 0.693 321 V HN 0.544 nan 8.190 nan 0.000 0.479 322 L N 1.648 122.713 121.223 -0.264 0.000 2.081 322 L HA -0.113 4.227 4.340 0.001 0.000 0.212 322 L C 2.331 179.000 176.870 -0.335 0.000 1.080 322 L CA 2.434 57.129 54.840 -0.241 0.000 0.754 322 L CB -1.235 40.708 42.059 -0.194 0.000 0.893 322 L HN 0.279 nan 8.230 nan 0.000 0.433 323 G N -1.549 106.916 108.800 -0.558 0.000 2.418 323 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 323 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 323 G C 1.424 176.050 174.900 -0.455 0.000 1.158 323 G CA 0.787 45.465 45.100 -0.704 0.000 0.771 323 G HN 0.574 nan 8.290 nan 0.000 0.545 324 Q N -0.192 119.320 119.800 -0.479 0.000 2.079 324 Q HA 0.015 4.355 4.340 0.001 0.000 0.200 324 Q C 2.594 178.581 176.000 -0.021 0.000 0.974 324 Q CA 0.921 56.683 55.803 -0.069 0.000 0.840 324 Q CB -0.200 28.476 28.738 -0.105 0.000 0.898 324 Q HN 0.524 nan 8.270 nan 0.000 0.430 325 I N 0.723 121.247 120.570 -0.077 0.000 2.179 325 I HA -0.310 3.861 4.170 0.001 0.000 0.242 325 I C 2.227 178.359 176.117 0.025 0.000 1.088 325 I CA 1.175 62.458 61.300 -0.029 0.000 1.357 325 I CB -0.311 37.660 38.000 -0.048 0.000 1.051 325 I HN 0.207 nan 8.210 nan 0.000 0.409 326 L N 0.163 121.389 121.223 0.004 0.000 2.042 326 L HA -0.242 4.098 4.340 0.001 0.000 0.210 326 L C 2.502 179.462 176.870 0.150 0.000 1.076 326 L CA 1.458 56.340 54.840 0.070 0.000 0.749 326 L CB -0.509 41.517 42.059 -0.056 0.000 0.893 326 L HN 0.304 nan 8.230 nan 0.000 0.432 327 L N -1.194 120.119 121.223 0.149 0.000 2.217 327 L HA -0.121 4.219 4.340 0.001 0.000 0.211 327 L C 2.540 179.501 176.870 0.153 0.000 1.107 327 L CA 0.951 55.901 54.840 0.185 0.000 0.783 327 L CB -0.725 41.446 42.059 0.187 0.000 0.919 327 L HN 0.278 nan 8.230 nan 0.000 0.442 328 T N 0.371 114.989 114.554 0.107 0.000 2.737 328 T HA -0.121 4.229 4.350 0.001 0.000 0.265 328 T C 1.954 176.704 174.700 0.083 0.000 1.038 328 T CA 1.204 63.347 62.100 0.071 0.000 1.144 328 T CB -0.139 68.754 68.868 0.042 0.000 0.866 328 T HN 0.165 nan 8.240 nan 0.000 0.434 329 I N 0.586 121.224 120.570 0.112 0.000 2.163 329 I HA -0.259 3.912 4.170 0.001 0.000 0.243 329 I C 2.523 178.729 176.117 0.149 0.000 1.085 329 I CA 1.808 63.189 61.300 0.135 0.000 1.347 329 I CB -0.403 37.709 38.000 0.187 0.000 1.044 329 I HN 0.322 nan 8.210 nan 0.000 0.408 330 H N 1.448 120.597 119.070 0.132 0.000 2.293 330 H HA -0.151 4.405 4.556 0.001 0.000 0.300 330 H C 2.038 177.440 175.328 0.124 0.000 1.082 330 H CA 2.134 58.264 56.048 0.137 0.000 1.308 330 H CB -0.133 29.701 29.762 0.120 0.000 1.375 330 H HN 0.190 nan 8.280 nan 0.000 0.495 331 N N 0.311 118.961 118.700 -0.084 0.000 2.149 331 N HA -0.127 4.614 4.740 0.001 0.000 0.188 331 N C 1.841 177.314 175.510 -0.062 0.000 1.019 331 N CA 1.295 54.282 53.050 -0.103 0.000 0.857 331 N CB -0.178 38.292 38.487 -0.029 0.000 0.997 331 N HN 0.380 nan 8.380 nan 0.000 0.426 332 I N 1.358 121.922 120.570 -0.011 0.000 2.252 332 I HA -0.150 4.020 4.170 0.001 0.000 0.245 332 I C 1.803 177.925 176.117 0.008 0.000 1.102 332 I CA 0.810 62.128 61.300 0.031 0.000 1.385 332 I CB -1.119 36.921 38.000 0.066 0.000 1.064 332 I HN 0.214 nan 8.210 nan 0.000 0.414 333 N N 0.655 119.350 118.700 -0.009 0.000 2.061 333 N HA -0.252 4.488 4.740 0.001 0.000 0.193 333 N C 1.992 177.474 175.510 -0.048 0.000 1.030 333 N CA 1.496 54.548 53.050 0.003 0.000 0.856 333 N CB -0.412 38.104 38.487 0.049 0.000 1.023 333 N HN 0.273 nan 8.380 nan 0.000 0.424 334 F N 1.975 121.747 119.950 -0.297 0.000 2.102 334 F HA -0.129 4.398 4.527 0.001 0.000 0.298 334 F C 2.379 178.013 175.800 -0.276 0.000 1.105 334 F CA 1.268 59.071 58.000 -0.328 0.000 1.239 334 F CB -0.187 38.521 39.000 -0.487 0.000 0.991 334 F HN -0.087 nan 8.300 nan 0.000 0.474 335 M N 0.186 119.579 119.600 -0.346 0.000 2.117 335 M HA -0.174 4.307 4.480 0.001 0.000 0.262 335 M C 2.225 178.364 176.300 -0.268 0.000 1.065 335 M CA 1.204 56.224 55.300 -0.468 0.000 1.114 335 M CB -1.223 31.049 32.600 -0.547 0.000 1.361 335 M HN 0.196 nan 8.290 nan 0.000 0.408 336 I N -0.687 119.834 120.570 -0.083 0.000 2.315 336 I HA -0.185 3.986 4.170 0.001 0.000 0.248 336 I C 2.672 178.776 176.117 -0.021 0.000 1.117 336 I CA 1.147 62.461 61.300 0.024 0.000 1.404 336 I CB -1.636 36.414 38.000 0.083 0.000 1.071 336 I HN 0.290 nan 8.210 nan 0.000 0.419 337 S N 1.077 116.729 115.700 -0.081 0.000 2.368 337 S HA -0.168 4.302 4.470 0.001 0.000 0.225 337 S C 2.081 176.675 174.600 -0.010 0.000 1.030 337 S CA 1.117 59.312 58.200 -0.008 0.000 0.999 337 S CB -0.396 62.838 63.200 0.057 0.000 0.844 337 S HN 0.339 nan 8.310 nan 0.000 0.459 338 L N 1.600 122.625 121.223 -0.330 0.000 2.013 338 L HA -0.062 4.278 4.340 0.001 0.000 0.212 338 L C 2.173 179.013 176.870 -0.051 0.000 1.073 338 L CA 2.072 56.726 54.840 -0.310 0.000 0.753 338 L CB -0.687 40.882 42.059 -0.816 0.000 0.890 338 L HN 0.314 nan 8.230 nan 0.000 0.432 339 M N -0.893 118.675 119.600 -0.054 0.000 2.254 339 M HA -0.140 4.341 4.480 0.001 0.000 0.265 339 M C 2.244 178.598 176.300 0.090 0.000 1.066 339 M CA 1.281 56.611 55.300 0.050 0.000 1.123 339 M CB -1.119 31.541 32.600 0.099 0.000 1.388 339 M HN 0.298 nan 8.290 nan 0.000 0.425 340 K N 0.266 120.713 120.400 0.079 0.000 2.026 340 K HA -0.155 4.166 4.320 0.001 0.000 0.208 340 K C 1.906 178.560 176.600 0.090 0.000 1.048 340 K CA 1.104 57.442 56.287 0.085 0.000 0.929 340 K CB 0.202 32.750 32.500 0.080 0.000 0.713 340 K HN 0.149 nan 8.250 nan 0.000 0.439 341 E N 0.341 120.608 120.200 0.111 0.000 2.106 341 E HA -0.140 4.210 4.350 0.001 0.000 0.192 341 E C 2.096 178.774 176.600 0.130 0.000 0.984 341 E CA 0.808 57.273 56.400 0.108 0.000 0.806 341 E CB -0.258 29.529 29.700 0.146 0.000 0.750 341 E HN 0.101 nan 8.360 nan 0.000 0.458 342 V N 1.626 121.639 119.914 0.165 0.000 2.282 342 V HA -0.299 3.821 4.120 0.001 0.000 0.249 342 V C 2.446 178.653 176.094 0.188 0.000 1.057 342 V CA 2.038 64.479 62.300 0.234 0.000 1.032 342 V CB -0.459 31.501 31.823 0.229 0.000 0.645 342 V HN 0.221 nan 8.190 nan 0.000 0.447 343 R N -0.543 120.035 120.500 0.130 0.000 2.096 343 R HA -0.163 4.178 4.340 0.001 0.000 0.235 343 R C 2.532 178.871 176.300 0.066 0.000 1.127 343 R CA 1.581 57.737 56.100 0.094 0.000 0.968 343 R CB -0.437 29.915 30.300 0.087 0.000 0.861 343 R HN 0.471 nan 8.270 nan 0.000 0.440 344 R N 0.536 121.073 120.500 0.061 0.000 2.081 344 R HA -0.107 4.233 4.340 0.001 0.000 0.235 344 R C 2.143 178.451 176.300 0.014 0.000 1.131 344 R CA 1.829 57.947 56.100 0.029 0.000 0.960 344 R CB -0.195 30.117 30.300 0.020 0.000 0.856 344 R HN 0.049 nan 8.270 nan 0.000 0.436 345 S N 0.560 116.293 115.700 0.055 0.000 2.370 345 S HA -0.129 4.341 4.470 0.001 0.000 0.226 345 S C 1.857 176.448 174.600 -0.015 0.000 1.033 345 S CA 1.599 59.836 58.200 0.062 0.000 1.011 345 S CB -0.158 63.187 63.200 0.241 0.000 0.852 345 S HN 0.324 nan 8.310 nan 0.000 0.457 346 I N 1.406 121.994 120.570 0.029 0.000 2.286 346 I HA -0.093 4.077 4.170 0.001 0.000 0.245 346 I C 2.930 178.997 176.117 -0.084 0.000 1.104 346 I CA 1.431 62.707 61.300 -0.041 0.000 1.397 346 I CB -0.725 37.274 38.000 -0.001 0.000 1.072 346 I HN 0.370 nan 8.210 nan 0.000 0.417 347 E N 0.434 120.607 120.200 -0.045 0.000 2.051 347 E HA -0.217 4.134 4.350 0.001 0.000 0.192 347 E C 2.272 178.822 176.600 -0.084 0.000 0.991 347 E CA 1.958 58.331 56.400 -0.044 0.000 0.799 347 E CB -0.904 28.784 29.700 -0.020 0.000 0.748 347 E HN 0.430 nan 8.360 nan 0.000 0.449 348 S N -1.491 114.145 115.700 -0.108 0.000 2.436 348 S HA 0.326 4.796 4.470 0.001 0.000 0.228 348 S C 1.774 176.241 174.600 -0.222 0.000 1.014 348 S CA 1.006 59.131 58.200 -0.125 0.000 0.950 348 S CB 0.123 63.264 63.200 -0.097 0.000 0.784 348 S HN 1.467 nan 8.310 nan 0.000 0.504 349 G N 0.772 109.312 108.800 -0.433 0.000 2.149 349 G HA2 -0.224 3.736 3.960 0.001 0.000 0.235 349 G HA3 -0.224 3.736 3.960 0.001 0.000 0.235 349 G C 0.500 174.982 174.900 -0.697 0.000 1.018 349 G CA 0.639 45.193 45.100 -0.910 0.000 0.728 349 G HN 0.482 nan 8.290 nan 0.000 0.508 350 T N -1.039 113.279 114.554 -0.395 0.000 3.129 350 T HA 0.330 4.681 4.350 0.001 0.000 0.267 350 T C 1.659 176.352 174.700 -0.012 0.000 1.018 350 T CA 0.699 62.715 62.100 -0.141 0.000 0.903 350 T CB -0.278 68.539 68.868 -0.084 0.000 1.067 350 T HN 0.540 nan 8.240 nan 0.000 0.549 351 F N 2.337 122.209 119.950 -0.129 0.000 2.154 351 F HA -0.096 4.431 4.527 0.001 0.000 0.301 351 F C 2.214 178.123 175.800 0.182 0.000 1.087 351 F CA 1.444 59.505 58.000 0.102 0.000 1.274 351 F CB -0.145 39.022 39.000 0.278 0.000 1.009 351 F HN 0.037 nan 8.300 nan 0.000 0.485 352 K N 0.079 120.602 120.400 0.205 0.000 2.288 352 K HA -0.014 4.307 4.320 0.001 0.000 0.201 352 K C 2.366 178.935 176.600 -0.053 0.000 1.048 352 K CA 1.128 57.439 56.287 0.041 0.000 0.956 352 K CB -0.818 31.799 32.500 0.195 0.000 0.746 352 K HN 0.688 nan 8.250 nan 0.000 0.461 353 E N 0.639 120.824 120.200 -0.025 0.000 2.051 353 E HA 0.000 4.351 4.350 0.001 0.000 0.189 353 E C 1.866 178.422 176.600 -0.074 0.000 0.979 353 E CA 1.335 57.713 56.400 -0.036 0.000 0.803 353 E CB -0.683 29.007 29.700 -0.017 0.000 0.761 353 E HN 0.255 nan 8.360 nan 0.000 0.451 354 L N 0.946 122.102 121.223 -0.111 0.000 1.970 354 L HA -0.139 4.201 4.340 0.001 0.000 0.212 354 L C 2.558 179.337 176.870 -0.151 0.000 1.071 354 L CA 3.064 57.841 54.840 -0.105 0.000 0.751 354 L CB -0.497 41.506 42.059 -0.093 0.000 0.889 354 L HN 0.395 nan 8.230 nan 0.000 0.432 355 K N -1.207 118.960 120.400 -0.389 0.000 2.059 355 K HA -0.247 4.074 4.320 0.001 0.000 0.212 355 K C 2.339 178.855 176.600 -0.141 0.000 1.050 355 K CA 1.892 57.965 56.287 -0.357 0.000 0.927 355 K CB -0.418 31.723 32.500 -0.598 0.000 0.714 355 K HN 0.432 nan 8.250 nan 0.000 0.447 356 S N -0.218 115.417 115.700 -0.108 0.000 2.382 356 S HA -0.171 4.300 4.470 0.001 0.000 0.228 356 S C 2.215 176.816 174.600 0.002 0.000 1.027 356 S CA 1.977 60.154 58.200 -0.039 0.000 0.991 356 S CB -0.258 62.925 63.200 -0.028 0.000 0.823 356 S HN 0.533 nan 8.310 nan 0.000 0.469 357 K N 0.637 121.047 120.400 0.016 0.000 2.057 357 K HA 0.053 4.373 4.320 0.001 0.000 0.206 357 K C 2.150 178.831 176.600 0.135 0.000 1.050 357 K CA 1.696 58.026 56.287 0.072 0.000 0.935 357 K CB -1.393 31.157 32.500 0.082 0.000 0.715 357 K HN 0.371 nan 8.250 nan 0.000 0.439 358 V N 0.601 120.603 119.914 0.147 0.000 2.323 358 V HA -0.180 3.940 4.120 0.001 0.000 0.244 358 V C 2.452 178.662 176.094 0.193 0.000 1.041 358 V CA 1.506 63.941 62.300 0.224 0.000 1.025 358 V CB -0.090 31.821 31.823 0.147 0.000 0.656 358 V HN 0.357 nan 8.190 nan 0.000 0.451 359 V N 0.264 120.231 119.914 0.088 0.000 2.594 359 V HA -0.276 3.845 4.120 0.001 0.000 0.253 359 V C 2.475 178.606 176.094 0.062 0.000 1.069 359 V CA 2.277 64.616 62.300 0.065 0.000 1.082 359 V CB -0.428 31.404 31.823 0.014 0.000 0.680 359 V HN 0.717 nan 8.190 nan 0.000 0.469 360 E N 0.237 120.469 120.200 0.054 0.000 2.107 360 E HA -0.159 4.192 4.350 0.001 0.000 0.191 360 E C 1.958 178.562 176.600 0.007 0.000 0.982 360 E CA 1.709 58.125 56.400 0.027 0.000 0.809 360 E CB 0.119 29.833 29.700 0.022 0.000 0.756 360 E HN 0.586 nan 8.360 nan 0.000 0.459 361 V N -1.800 118.124 119.914 0.016 0.000 3.471 361 V HA 0.210 4.330 4.120 0.001 0.000 0.258 361 V C 0.303 176.235 176.094 -0.270 0.000 1.192 361 V CA -0.074 62.156 62.300 -0.116 0.000 1.116 361 V CB -0.602 31.144 31.823 -0.129 0.000 0.792 361 V HN 0.048 nan 8.190 nan 0.000 0.459 362 Y N -0.106 120.194 120.300 -0.001 0.000 2.587 362 Y HA 0.817 5.367 4.550 0.001 0.000 0.337 362 Y C 0.456 176.341 175.900 -0.026 0.000 1.065 362 Y CA -0.320 57.772 58.100 -0.013 0.000 1.126 362 Y CB 2.284 40.734 38.460 -0.016 0.000 1.279 362 Y HN 0.125 nan 8.280 nan 0.000 0.489 363 S N 0.000 115.793 115.700 0.154 0.000 2.498 363 S HA 0.000 4.470 4.470 0.001 0.000 0.327 363 S CA 0.000 58.231 58.200 0.052 0.000 1.107 363 S CB 0.000 63.214 63.200 0.023 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517