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 2ord_1_A DATA FIRST_RESID -7 DATA SEQUENCE KIHHHHHHXY LXNTYSRFPA TFVYGKGSWI YDEKGNAYLD FTSGIAVNVL DATA SEQUENCE GHSHPRLVEA IKDQAEKLIH CSNLFWNRPQ XELAELLSKN TFGGKVFFAN DATA SEQUENCE TGTEANEAAI KIARKYGKKK SEKKYRILSA HNSFHGRTLG SLTATGQPKY DATA SEQUENCE QKPFEPLVPG FEYFEFNNVE DLRRKXSEDV CAVFLEPIQG ESGIVPATKE DATA SEQUENCE FLEEARKLCD EYDALLVFDE VQCGXGRTGK LFAYQKYGVV PDVLTTAKGL DATA SEQUENCE GGGVPIGAVI VNERANVLEP GDHGTTFGGN PLACRAGVTV IKELTKEGFL DATA SEQUENCE EEVEEKGNYL XKKLQEXKEE YDVVADVRGX GLXIGIQFRE EVSNREVATK DATA SEQUENCE CFENKLLVVP AGNNTIRFLP PLTVEYGEID LAVETLKKVL QGI 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 -7 K HA 0.000 nan 4.320 nan 0.000 0.191 -7 K C 0.000 176.507 176.600 -0.155 0.000 0.988 -7 K CA 0.000 56.193 56.287 -0.157 0.000 0.838 -7 K CB 0.000 32.431 32.500 -0.115 0.000 1.064 -6 I N 3.375 123.860 120.570 -0.141 0.000 2.347 -6 I HA 0.335 4.506 4.170 0.002 0.000 0.294 -6 I C -0.105 175.984 176.117 -0.047 0.000 1.090 -6 I CA -0.278 60.847 61.300 -0.293 0.000 1.314 -6 I CB 0.362 38.157 38.000 -0.340 0.000 1.423 -6 I HN 0.543 nan 8.210 nan 0.000 0.503 -5 H N 6.431 125.465 119.070 -0.060 0.000 3.046 -5 H HA 0.147 4.704 4.556 0.002 0.000 0.363 -5 H C 0.567 175.944 175.328 0.081 0.000 1.203 -5 H CA -0.572 55.466 56.048 -0.016 0.000 1.169 -5 H CB 1.671 31.381 29.762 -0.087 0.000 1.851 -5 H HN 0.686 nan 8.280 nan 0.000 0.546 -4 H N 2.698 121.555 119.070 -0.355 0.000 2.489 -4 H HA -0.108 4.449 4.556 0.002 0.000 0.295 -4 H C 0.498 175.990 175.328 0.272 0.000 1.082 -4 H CA 1.598 57.602 56.048 -0.074 0.000 1.295 -4 H CB -0.331 29.279 29.762 -0.254 0.000 1.380 -4 H HN 0.682 nan 8.280 nan 0.000 0.548 -3 H N -0.985 118.152 119.070 0.112 0.000 2.546 -3 H HA -0.033 4.524 4.556 0.002 0.000 0.277 -3 H C 1.895 177.471 175.328 0.412 0.000 1.004 -3 H CA 0.727 56.937 56.048 0.269 0.000 1.231 -3 H CB 0.369 30.235 29.762 0.173 0.000 1.382 -3 H HN 0.491 nan 8.280 nan 0.000 0.580 -2 H N -1.474 117.838 119.070 0.403 0.000 2.926 -2 H HA 0.020 4.577 4.556 0.002 0.000 0.249 -2 H C 0.833 176.234 175.328 0.122 0.000 0.963 -2 H CA 0.455 56.658 56.048 0.258 0.000 1.158 -2 H CB 0.869 30.813 29.762 0.303 0.000 1.445 -2 H HN 0.341 nan 8.280 nan 0.000 0.452 -1 H N 0.258 119.438 119.070 0.183 0.000 2.652 -1 H HA 0.107 4.664 4.556 0.002 0.000 0.274 -1 H C 0.367 175.706 175.328 0.018 0.000 1.021 -1 H CA 0.273 56.409 56.048 0.147 0.000 1.187 -1 H CB 0.049 30.003 29.762 0.321 0.000 1.505 -1 H HN 0.555 nan 8.280 nan 0.000 0.530 6 T N -2.542 111.924 114.554 -0.147 0.000 3.044 6 T HA 0.293 4.644 4.350 0.002 0.000 0.250 6 T C 0.122 174.510 174.700 -0.520 0.000 1.081 6 T CA 0.757 62.632 62.100 -0.376 0.000 1.040 6 T CB 0.082 68.585 68.868 -0.609 0.000 0.962 6 T HN 0.176 nan 8.240 nan 0.000 0.506 7 Y N 0.995 121.289 120.300 -0.010 0.000 2.512 7 Y HA 0.611 5.162 4.550 0.001 0.000 0.348 7 Y C -0.169 175.694 175.900 -0.062 0.000 0.990 7 Y CA -1.588 56.491 58.100 -0.035 0.000 1.033 7 Y CB 2.042 40.480 38.460 -0.036 0.000 1.259 7 Y HN -0.098 nan 8.280 nan 0.000 0.461 8 S N 3.810 119.556 115.700 0.077 0.000 2.411 8 S HA 0.510 4.981 4.470 0.002 0.000 0.294 8 S C -0.205 174.307 174.600 -0.145 0.000 1.115 8 S CA -0.888 57.278 58.200 -0.057 0.000 1.071 8 S CB -0.038 63.103 63.200 -0.099 0.000 0.967 8 S HN 0.457 nan 8.310 nan 0.000 0.488 9 R N 1.496 121.890 120.500 -0.177 0.000 2.668 9 R HA 0.464 4.805 4.340 0.002 0.000 0.279 9 R C -0.809 175.246 176.300 -0.408 0.000 0.976 9 R CA -0.732 55.220 56.100 -0.247 0.000 0.978 9 R CB 0.935 31.135 30.300 -0.166 0.000 1.133 9 R HN 0.425 nan 8.270 nan 0.000 0.484 10 F N 2.478 122.206 119.950 -0.370 0.000 2.506 10 F HA 0.128 4.656 4.527 0.001 0.000 0.351 10 F C -1.122 174.273 175.800 -0.674 0.000 1.136 10 F CA -1.595 56.007 58.000 -0.664 0.000 1.298 10 F CB 0.303 38.732 39.000 -0.951 0.000 1.145 10 F HN 0.270 nan 8.300 nan 0.000 0.593 11 P HA 0.295 nan 4.420 nan 0.000 0.231 11 P C -1.185 175.826 177.300 -0.482 0.000 1.811 11 P CA 0.174 63.015 63.100 -0.432 0.000 1.051 11 P CB 0.122 31.812 31.700 -0.015 0.000 1.951 12 A N 1.313 123.662 122.820 -0.784 0.000 2.486 12 A HA 0.659 4.980 4.320 0.002 0.000 0.300 12 A C -0.409 176.671 177.584 -0.840 0.000 1.048 12 A CA -0.449 51.161 52.037 -0.711 0.000 0.696 12 A CB 1.309 19.738 19.000 -0.952 0.000 1.278 12 A HN 0.129 nan 8.150 nan 0.000 0.405 13 T N 2.629 116.900 114.554 -0.473 0.000 2.756 13 T HA 0.561 4.912 4.350 0.002 0.000 0.290 13 T C -1.075 173.520 174.700 -0.174 0.000 0.985 13 T CA 0.218 62.160 62.100 -0.264 0.000 0.955 13 T CB -0.326 68.492 68.868 -0.084 0.000 0.930 13 T HN 0.316 nan 8.240 nan 0.000 0.451 14 F N 2.755 122.690 119.950 -0.025 0.000 2.420 14 F HA 0.418 4.946 4.527 0.002 0.000 0.342 14 F C 1.126 176.942 175.800 0.027 0.000 1.113 14 F CA -1.383 56.614 58.000 -0.005 0.000 1.059 14 F CB 1.471 40.431 39.000 -0.068 0.000 1.128 14 F HN 0.360 nan 8.300 nan 0.000 0.475 15 V N 0.742 120.833 119.914 0.295 0.000 3.562 15 V HA 0.398 4.519 4.120 0.002 0.000 0.270 15 V C -0.862 175.370 176.094 0.230 0.000 1.418 15 V CA -0.093 62.329 62.300 0.203 0.000 1.033 15 V CB -0.279 31.647 31.823 0.171 0.000 0.820 15 V HN 0.648 nan 8.190 nan 0.000 0.441 16 Y N -0.082 120.260 120.300 0.069 0.000 2.521 16 Y HA 0.760 5.310 4.550 0.002 0.000 0.332 16 Y C -0.377 175.549 175.900 0.042 0.000 1.121 16 Y CA -0.099 58.011 58.100 0.016 0.000 1.037 16 Y CB 1.815 40.243 38.460 -0.053 0.000 1.330 16 Y HN 0.260 nan 8.280 nan 0.000 0.452 17 G N 4.774 113.301 108.800 -0.455 0.000 2.706 17 G HA2 0.659 4.620 3.960 0.002 0.000 0.297 17 G HA3 0.659 4.620 3.960 0.002 0.000 0.297 17 G C -2.254 172.484 174.900 -0.271 0.000 1.403 17 G CA -1.070 43.841 45.100 -0.315 0.000 0.954 17 G HN 0.318 nan 8.290 nan 0.000 0.500 18 K N 0.645 121.097 120.400 0.086 0.000 2.513 18 K HA 0.669 4.990 4.320 0.002 0.000 0.251 18 K C 0.637 177.388 176.600 0.251 0.000 0.939 18 K CA 0.118 56.478 56.287 0.121 0.000 0.793 18 K CB 1.950 34.509 32.500 0.100 0.000 1.241 18 K HN 1.559 nan 8.250 nan 0.000 0.431 19 G N 1.989 110.898 108.800 0.182 0.000 2.591 19 G HA2 -0.349 3.611 3.960 0.002 0.000 0.298 19 G HA3 -0.349 3.611 3.960 0.002 0.000 0.298 19 G C 0.568 175.538 174.900 0.117 0.000 1.195 19 G CA 0.566 45.759 45.100 0.155 0.000 0.989 19 G HN 0.459 nan 8.290 nan 0.000 0.551 20 S N 0.392 116.154 115.700 0.104 0.000 2.631 20 S HA 0.301 4.772 4.470 0.002 0.000 0.217 20 S C -0.175 174.214 174.600 -0.351 0.000 0.958 20 S CA 0.677 58.781 58.200 -0.160 0.000 0.920 20 S CB -0.054 62.992 63.200 -0.257 0.000 0.776 20 S HN 0.395 nan 8.310 nan 0.000 0.517 21 W N 0.555 121.894 121.300 0.065 0.000 2.736 21 W HA 0.729 5.390 4.660 0.002 0.000 0.335 21 W C -0.444 176.007 176.519 -0.114 0.000 1.059 21 W CA -0.740 56.566 57.345 -0.065 0.000 1.226 21 W CB 0.890 30.282 29.460 -0.114 0.000 1.416 21 W HN -0.099 nan 8.180 nan 0.000 0.505 22 I N 2.158 122.643 120.570 -0.142 0.000 2.769 22 I HA 0.484 4.655 4.170 0.002 0.000 0.298 22 I C -1.751 174.168 176.117 -0.330 0.000 1.128 22 I CA -1.163 59.926 61.300 -0.351 0.000 1.031 22 I CB 1.754 39.279 38.000 -0.792 0.000 1.235 22 I HN 0.354 nan 8.210 nan 0.000 0.423 23 Y N 4.176 124.463 120.300 -0.021 0.000 2.409 23 Y HA 0.396 4.947 4.550 0.002 0.000 0.343 23 Y C -0.139 176.002 175.900 0.401 0.000 0.973 23 Y CA -0.992 57.255 58.100 0.245 0.000 1.064 23 Y CB 1.196 39.799 38.460 0.238 0.000 1.207 23 Y HN 0.582 nan 8.280 nan 0.000 0.452 24 D N 0.392 121.183 120.400 0.652 0.000 2.447 24 D HA -0.004 4.637 4.640 0.002 0.000 0.265 24 D C 1.085 177.587 176.300 0.338 0.000 1.250 24 D CA -0.382 53.921 54.000 0.505 0.000 1.046 24 D CB 0.549 41.592 40.800 0.404 0.000 1.095 24 D HN 0.631 nan 8.370 nan 0.000 0.555 25 E N 0.116 120.464 120.200 0.246 0.000 2.338 25 E HA -0.220 4.131 4.350 0.002 0.000 0.197 25 E C 0.761 177.448 176.600 0.145 0.000 1.007 25 E CA 1.018 57.525 56.400 0.178 0.000 0.849 25 E CB -0.277 29.526 29.700 0.171 0.000 0.774 25 E HN 0.558 nan 8.360 nan 0.000 0.506 26 K N -0.202 120.300 120.400 0.171 0.000 2.404 26 K HA 0.180 4.501 4.320 0.002 0.000 0.194 26 K C 0.907 177.587 176.600 0.133 0.000 1.023 26 K CA 0.436 56.800 56.287 0.129 0.000 1.094 26 K CB 0.442 33.019 32.500 0.129 0.000 0.841 26 K HN 0.290 nan 8.250 nan 0.000 0.523 27 G N 1.780 110.694 108.800 0.191 0.000 2.143 27 G HA2 -0.223 3.738 3.960 0.002 0.000 0.249 27 G HA3 -0.223 3.738 3.960 0.002 0.000 0.249 27 G C -0.441 174.635 174.900 0.293 0.000 0.981 27 G CA -0.392 44.842 45.100 0.222 0.000 0.665 27 G HN 0.257 nan 8.290 nan 0.000 0.528 28 N N 1.066 119.925 118.700 0.266 0.000 2.497 28 N HA 0.503 5.244 4.740 0.002 0.000 0.268 28 N C 0.431 176.050 175.510 0.182 0.000 1.171 28 N CA 0.847 53.998 53.050 0.169 0.000 0.948 28 N CB 1.395 39.956 38.487 0.124 0.000 1.069 28 N HN 0.711 nan 8.380 nan 0.000 0.460 29 A N 2.858 125.651 122.820 -0.046 0.000 2.301 29 A HA 0.529 4.850 4.320 0.002 0.000 0.312 29 A C -1.112 176.410 177.584 -0.104 0.000 1.182 29 A CA -0.403 51.496 52.037 -0.231 0.000 0.826 29 A CB 0.236 19.029 19.000 -0.346 0.000 1.134 29 A HN 0.599 nan 8.150 nan 0.000 0.501 30 Y N 1.222 121.476 120.300 -0.076 0.000 2.364 30 Y HA 0.453 5.003 4.550 0.001 0.000 0.340 30 Y C -0.092 175.633 175.900 -0.292 0.000 0.975 30 Y CA -0.868 57.157 58.100 -0.124 0.000 1.089 30 Y CB 1.925 40.273 38.460 -0.186 0.000 1.192 30 Y HN 0.598 nan 8.280 nan 0.000 0.454 31 L N 4.331 125.303 121.223 -0.418 0.000 2.315 31 L HA 0.270 4.611 4.340 0.002 0.000 0.283 31 L C -0.364 176.259 176.870 -0.411 0.000 1.089 31 L CA -0.057 54.240 54.840 -0.906 0.000 0.833 31 L CB 0.051 41.541 42.059 -0.948 0.000 1.170 31 L HN 0.557 nan 8.230 nan 0.000 0.442 32 D N 4.475 124.673 120.400 -0.336 0.000 2.479 32 D HA 0.107 4.748 4.640 0.002 0.000 0.218 32 D C -0.029 176.245 176.300 -0.044 0.000 1.131 32 D CA -0.107 53.807 54.000 -0.143 0.000 0.916 32 D CB 0.065 40.806 40.800 -0.098 0.000 1.022 32 D HN 0.400 nan 8.370 nan 0.000 0.515 33 F N 1.422 121.172 119.950 -0.333 0.000 2.660 33 F HA 0.080 4.608 4.527 0.001 0.000 0.297 33 F C 2.231 177.907 175.800 -0.207 0.000 1.132 33 F CA 0.104 57.896 58.000 -0.346 0.000 1.372 33 F CB 0.020 38.655 39.000 -0.608 0.000 1.003 33 F HN 0.338 nan 8.300 nan 0.000 0.524 34 T N -4.077 110.449 114.554 -0.048 0.000 3.040 34 T HA -0.007 4.344 4.350 0.002 0.000 0.252 34 T C 1.504 176.153 174.700 -0.084 0.000 1.064 34 T CA 0.683 62.765 62.100 -0.030 0.000 1.110 34 T CB -0.518 68.356 68.868 0.011 0.000 0.921 34 T HN 0.189 nan 8.240 nan 0.000 0.480 35 S N 0.926 116.534 115.700 -0.152 0.000 3.462 35 S HA -0.101 4.370 4.470 0.002 0.000 0.370 35 S C 1.467 175.988 174.600 -0.132 0.000 1.028 35 S CA 0.935 59.013 58.200 -0.203 0.000 1.119 35 S CB -2.743 60.326 63.200 -0.218 0.000 0.906 35 S HN 2.278 nan 8.310 nan 0.000 0.471 36 G N 0.772 109.535 108.800 -0.062 0.000 2.221 36 G HA2 -0.213 3.748 3.960 0.002 0.000 0.265 36 G HA3 -0.213 3.748 3.960 0.002 0.000 0.265 36 G C 0.412 175.304 174.900 -0.014 0.000 1.041 36 G CA -0.034 45.059 45.100 -0.012 0.000 0.807 36 G HN 2.032 nan 8.290 nan 0.000 0.502 37 I N -3.542 117.020 120.570 -0.014 0.000 6.579 37 I HA -0.151 4.019 4.170 0.002 0.000 0.126 37 I C 1.390 177.499 176.117 -0.013 0.000 1.827 37 I CA 0.529 61.825 61.300 -0.006 0.000 2.040 37 I CB -1.888 36.110 38.000 -0.003 0.000 3.510 37 I HN 2.197 nan 8.210 nan 0.000 0.170 38 A N 0.897 123.697 122.820 -0.034 0.000 2.887 38 A HA -0.202 4.119 4.320 0.002 0.000 0.257 38 A C 1.039 178.601 177.584 -0.036 0.000 1.372 38 A CA 1.315 53.330 52.037 -0.037 0.000 0.879 38 A CB -1.785 17.211 19.000 -0.006 0.000 1.082 38 A HN 0.787 nan 8.150 nan 0.000 0.703 39 V N -0.177 119.708 119.914 -0.049 0.000 2.672 39 V HA 0.014 4.134 4.120 0.002 0.000 0.242 39 V C 1.190 177.235 176.094 -0.080 0.000 1.059 39 V CA 1.352 63.625 62.300 -0.044 0.000 1.081 39 V CB -0.309 31.497 31.823 -0.028 0.000 0.752 39 V HN 0.670 nan 8.190 nan 0.000 0.472 40 N N 1.220 119.841 118.700 -0.132 0.000 3.178 40 N HA 0.076 4.817 4.740 0.002 0.000 0.300 40 N C 0.974 176.386 175.510 -0.164 0.000 1.242 40 N CA 0.122 53.063 53.050 -0.182 0.000 1.192 40 N CB 0.962 39.242 38.487 -0.345 0.000 1.463 40 N HN 0.192 nan 8.380 nan 0.000 0.539 41 V N 0.913 120.755 119.914 -0.119 0.000 2.469 41 V HA -0.117 4.004 4.120 0.002 0.000 0.251 41 V C 1.389 177.435 176.094 -0.080 0.000 1.064 41 V CA 1.606 63.846 62.300 -0.100 0.000 1.066 41 V CB -0.009 31.755 31.823 -0.099 0.000 0.667 41 V HN 0.517 nan 8.190 nan 0.000 0.461 42 L N 0.346 121.509 121.223 -0.100 0.000 2.741 42 L HA 0.505 4.846 4.340 0.002 0.000 0.237 42 L C 0.972 177.859 176.870 0.028 0.000 1.178 42 L CA 0.308 55.109 54.840 -0.065 0.000 0.973 42 L CB -0.624 41.272 42.059 -0.271 0.000 1.255 42 L HN 0.515 nan 8.230 nan 0.000 0.498 43 G N -0.154 108.603 108.800 -0.071 0.000 2.828 43 G HA2 -0.220 3.741 3.960 0.002 0.000 0.463 43 G HA3 -0.220 3.741 3.960 0.002 0.000 0.463 43 G C -0.418 174.404 174.900 -0.129 0.000 1.394 43 G CA -0.835 44.192 45.100 -0.121 0.000 0.862 43 G HN 0.263 nan 8.290 nan 0.000 0.540 44 H N 0.301 119.362 119.070 -0.014 0.000 2.848 44 H HA 0.308 4.865 4.556 0.002 0.000 0.341 44 H C 1.481 176.791 175.328 -0.030 0.000 1.060 44 H CA 0.934 56.960 56.048 -0.037 0.000 1.444 44 H CB 0.577 30.297 29.762 -0.069 0.000 1.446 44 H HN 0.958 nan 8.280 nan 0.000 0.583 45 S N 1.743 117.497 115.700 0.090 0.000 3.477 45 S HA -0.227 4.244 4.470 0.002 0.000 0.371 45 S C 0.496 175.126 174.600 0.050 0.000 0.965 45 S CA 0.464 58.683 58.200 0.031 0.000 1.239 45 S CB -1.630 61.532 63.200 -0.062 0.000 0.918 45 S HN 0.653 nan 8.310 nan 0.000 0.498 46 H N 2.392 121.457 119.070 -0.009 0.000 3.034 46 H HA 0.043 4.600 4.556 0.002 0.000 0.324 46 H C -1.200 174.126 175.328 -0.004 0.000 1.015 46 H CA -0.751 55.295 56.048 -0.003 0.000 1.429 46 H CB 0.878 30.634 29.762 -0.010 0.000 1.429 46 H HN 0.126 nan 8.280 nan 0.000 0.585 47 P HA -0.164 nan 4.420 nan 0.000 0.216 47 P C 1.280 178.622 177.300 0.070 0.000 1.150 47 P CA 1.426 64.480 63.100 -0.077 0.000 0.843 47 P CB 0.226 31.833 31.700 -0.155 0.000 0.787 48 R N -1.111 119.539 120.500 0.251 0.000 2.090 48 R HA -0.042 4.299 4.340 0.002 0.000 0.228 48 R C 2.401 178.779 176.300 0.131 0.000 1.110 48 R CA 0.668 56.887 56.100 0.199 0.000 0.973 48 R CB -0.972 29.459 30.300 0.218 0.000 0.869 48 R HN 0.156 nan 8.270 nan 0.000 0.440 49 L N 0.680 122.004 121.223 0.168 0.000 2.027 49 L HA -0.119 4.222 4.340 0.002 0.000 0.206 49 L C 2.068 178.963 176.870 0.042 0.000 1.074 49 L CA 1.526 56.399 54.840 0.055 0.000 0.745 49 L CB -0.336 41.743 42.059 0.034 0.000 0.898 49 L HN -0.124 nan 8.230 nan 0.000 0.433 50 V N 0.018 119.965 119.914 0.055 0.000 2.332 50 V HA -0.331 3.790 4.120 0.002 0.000 0.248 50 V C 2.588 178.693 176.094 0.020 0.000 1.055 50 V CA 2.039 64.355 62.300 0.027 0.000 1.038 50 V CB -0.745 31.089 31.823 0.019 0.000 0.651 50 V HN 0.641 nan 8.190 nan 0.000 0.450 51 E N 0.411 120.627 120.200 0.026 0.000 2.058 51 E HA -0.266 4.085 4.350 0.002 0.000 0.194 51 E C 2.191 178.797 176.600 0.011 0.000 0.997 51 E CA 1.654 58.064 56.400 0.017 0.000 0.801 51 E CB -0.260 29.453 29.700 0.022 0.000 0.746 51 E HN 0.565 nan 8.360 nan 0.000 0.450 52 A N 0.835 123.661 122.820 0.011 0.000 1.930 52 A HA -0.108 4.213 4.320 0.002 0.000 0.217 52 A C 2.178 179.759 177.584 -0.005 0.000 1.175 52 A CA 1.171 53.207 52.037 -0.001 0.000 0.627 52 A CB -0.530 18.465 19.000 -0.007 0.000 0.815 52 A HN 0.347 nan 8.150 nan 0.000 0.443 53 I N -0.359 120.209 120.570 -0.004 0.000 2.179 53 I HA -0.290 3.880 4.170 0.002 0.000 0.242 53 I C 2.488 178.602 176.117 -0.005 0.000 1.088 53 I CA 1.633 62.928 61.300 -0.008 0.000 1.357 53 I CB -0.267 37.728 38.000 -0.007 0.000 1.051 53 I HN 0.292 nan 8.210 nan 0.000 0.409 54 K N 0.292 120.692 120.400 -0.001 0.000 2.026 54 K HA -0.249 4.072 4.320 0.002 0.000 0.208 54 K C 1.786 178.386 176.600 -0.000 0.000 1.048 54 K CA 2.071 58.358 56.287 0.001 0.000 0.929 54 K CB -0.334 32.168 32.500 0.003 0.000 0.713 54 K HN 0.266 nan 8.250 nan 0.000 0.439 55 D N 0.677 121.077 120.400 -0.000 0.000 2.097 55 D HA -0.211 4.430 4.640 0.002 0.000 0.195 55 D C 2.106 178.404 176.300 -0.003 0.000 0.989 55 D CA 1.341 55.340 54.000 -0.001 0.000 0.827 55 D CB 0.096 40.895 40.800 -0.001 0.000 0.966 55 D HN 0.016 nan 8.370 nan 0.000 0.456 56 Q N -0.045 119.751 119.800 -0.005 0.000 2.079 56 Q HA 0.062 4.403 4.340 0.002 0.000 0.200 56 Q C 1.897 177.895 176.000 -0.003 0.000 0.974 56 Q CA 1.802 57.601 55.803 -0.007 0.000 0.840 56 Q CB -0.643 28.087 28.738 -0.013 0.000 0.898 56 Q HN 0.310 nan 8.270 nan 0.000 0.430 57 A N 0.386 123.204 122.820 -0.003 0.000 1.972 57 A HA -0.201 4.120 4.320 0.002 0.000 0.219 57 A C 1.804 179.390 177.584 0.003 0.000 1.169 57 A CA 1.638 53.675 52.037 0.000 0.000 0.635 57 A CB -0.517 18.481 19.000 -0.002 0.000 0.810 57 A HN 0.545 nan 8.150 nan 0.000 0.446 58 E N -0.579 119.622 120.200 0.001 0.000 2.347 58 E HA -0.122 4.229 4.350 0.002 0.000 0.196 58 E C 1.765 178.365 176.600 0.001 0.000 1.008 58 E CA 1.005 57.406 56.400 0.001 0.000 0.852 58 E CB 0.004 29.704 29.700 0.000 0.000 0.783 58 E HN 0.628 nan 8.360 nan 0.000 0.505 59 K N -0.289 120.111 120.400 0.000 0.000 2.161 59 K HA 0.188 4.509 4.320 0.002 0.000 0.205 59 K C -0.003 176.597 176.600 -0.000 0.000 1.035 59 K CA 0.240 56.526 56.287 -0.002 0.000 0.970 59 K CB 0.633 33.131 32.500 -0.003 0.000 0.866 59 K HN -0.118 nan 8.250 nan 0.000 0.461 60 L N 0.380 121.605 121.223 0.003 0.000 2.751 60 L HA 0.260 4.601 4.340 0.002 0.000 0.261 60 L C -0.501 176.381 176.870 0.020 0.000 0.927 60 L CA -0.002 54.844 54.840 0.009 0.000 0.968 60 L CB 1.434 43.492 42.059 -0.001 0.000 1.432 60 L HN 0.080 nan 8.230 nan 0.000 0.439 61 I N 2.021 122.617 120.570 0.044 0.000 2.556 61 I HA 0.172 4.343 4.170 0.002 0.000 0.251 61 I C -0.176 176.019 176.117 0.130 0.000 1.105 61 I CA 0.215 61.553 61.300 0.064 0.000 1.436 61 I CB 0.235 38.272 38.000 0.061 0.000 1.139 61 I HN 0.749 nan 8.210 nan 0.000 0.438 62 H N -0.675 118.417 119.070 0.037 0.000 3.042 62 H HA 0.264 4.821 4.556 0.001 0.000 0.345 62 H C -0.097 175.279 175.328 0.081 0.000 1.052 62 H CA -1.349 54.740 56.048 0.070 0.000 1.311 62 H CB 1.530 31.359 29.762 0.112 0.000 1.810 62 H HN 0.203 nan 8.280 nan 0.000 0.505 63 C N 2.748 121.780 119.300 -0.446 0.000 3.580 63 C HA 0.624 5.085 4.460 0.002 0.000 0.337 63 C C 0.471 175.303 174.990 -0.263 0.000 1.412 63 C CA 0.314 59.187 59.018 -0.241 0.000 1.797 63 C CB -1.261 26.471 27.740 -0.013 0.000 2.470 63 C HN 1.315 nan 8.230 nan 0.000 0.691 64 S N 1.386 116.704 115.700 -0.638 0.000 3.661 64 S HA -0.176 4.295 4.470 0.002 0.000 0.772 64 S C -0.262 174.216 174.600 -0.203 0.000 1.194 64 S CA 0.341 58.363 58.200 -0.297 0.000 1.148 64 S CB -1.559 61.541 63.200 -0.167 0.000 0.564 64 S HN 0.620 nan 8.310 nan 0.000 0.482 65 N N 0.989 119.563 118.700 -0.209 0.000 2.434 65 N HA 0.159 4.899 4.740 0.002 0.000 0.196 65 N C 1.411 176.661 175.510 -0.433 0.000 1.183 65 N CA 0.667 53.551 53.050 -0.277 0.000 0.849 65 N CB -0.634 37.734 38.487 -0.198 0.000 0.992 65 N HN 0.576 nan 8.380 nan 0.000 0.460 66 L N -0.629 120.238 121.223 -0.592 0.000 2.265 66 L HA -0.042 4.299 4.340 0.002 0.000 0.215 66 L C 0.037 176.226 176.870 -1.135 0.000 1.117 66 L CA 1.113 55.379 54.840 -0.957 0.000 0.782 66 L CB -0.160 41.084 42.059 -1.358 0.000 0.914 66 L HN -0.003 nan 8.230 nan 0.000 0.441 67 F N -3.208 116.594 119.950 -0.247 0.000 2.664 67 F HA 0.429 4.957 4.527 0.002 0.000 0.329 67 F C -0.534 175.083 175.800 -0.306 0.000 1.090 67 F CA -1.482 56.389 58.000 -0.215 0.000 0.978 67 F CB 0.434 39.393 39.000 -0.069 0.000 1.378 67 F HN -0.276 nan 8.300 nan 0.000 0.495 68 W N 0.967 122.382 121.300 0.192 0.000 2.512 68 W HA 0.545 5.205 4.660 0.001 0.000 0.335 68 W C -0.547 176.015 176.519 0.072 0.000 1.088 68 W CA -0.339 57.065 57.345 0.097 0.000 1.236 68 W CB 1.137 30.642 29.460 0.074 0.000 1.307 68 W HN 0.516 nan 8.180 nan 0.000 0.567 69 N N -0.425 118.437 118.700 0.269 0.000 2.262 69 N HA 0.460 5.201 4.740 0.002 0.000 0.295 69 N C 0.229 175.807 175.510 0.113 0.000 1.161 69 N CA -0.985 52.149 53.050 0.140 0.000 0.767 69 N CB 1.767 40.291 38.487 0.063 0.000 1.499 69 N HN 0.356 nan 8.380 nan 0.000 0.476 70 R N 0.114 120.652 120.500 0.064 0.000 2.066 70 R HA 0.028 4.369 4.340 0.002 0.000 0.232 70 R C -0.913 175.401 176.300 0.023 0.000 1.131 70 R CA 1.387 57.513 56.100 0.043 0.000 0.955 70 R CB -1.134 29.179 30.300 0.022 0.000 0.851 70 R HN 0.539 nan 8.270 nan 0.000 0.432 71 P HA -0.175 nan 4.420 nan 0.000 0.215 71 P C 0.473 177.731 177.300 -0.069 0.000 1.153 71 P CA 1.037 64.113 63.100 -0.039 0.000 0.853 71 P CB 0.037 31.699 31.700 -0.063 0.000 0.788 75 L N 2.043 123.324 121.223 0.096 0.000 2.056 75 L HA 0.149 4.489 4.340 0.002 0.000 0.207 75 L C 2.272 179.316 176.870 0.289 0.000 1.078 75 L CA 2.558 57.496 54.840 0.162 0.000 0.749 75 L CB -0.583 41.540 42.059 0.106 0.000 0.901 75 L HN 0.324 nan 8.230 nan 0.000 0.433 76 A N -0.783 122.265 122.820 0.379 0.000 1.883 76 A HA -0.288 4.033 4.320 0.002 0.000 0.217 76 A C 2.322 179.968 177.584 0.102 0.000 1.186 76 A CA 1.896 54.076 52.037 0.239 0.000 0.624 76 A CB -0.791 18.354 19.000 0.241 0.000 0.822 76 A HN 0.617 nan 8.150 nan 0.000 0.444 77 E N -0.112 120.145 120.200 0.096 0.000 2.038 77 E HA -0.212 4.138 4.350 0.002 0.000 0.195 77 E C 1.991 178.616 176.600 0.042 0.000 1.000 77 E CA 1.513 57.943 56.400 0.051 0.000 0.803 77 E CB -0.246 29.480 29.700 0.043 0.000 0.750 77 E HN 0.635 nan 8.360 nan 0.000 0.448 78 L N 0.513 121.771 121.223 0.059 0.000 2.056 78 L HA -0.190 4.151 4.340 0.002 0.000 0.207 78 L C 2.695 179.601 176.870 0.059 0.000 1.078 78 L CA 0.747 55.618 54.840 0.052 0.000 0.749 78 L CB -0.326 41.763 42.059 0.051 0.000 0.901 78 L HN 0.233 nan 8.230 nan 0.000 0.433 79 L N -1.144 120.123 121.223 0.074 0.000 2.046 79 L HA -0.219 4.122 4.340 0.002 0.000 0.208 79 L C 2.856 179.708 176.870 -0.029 0.000 1.077 79 L CA 1.328 56.203 54.840 0.058 0.000 0.747 79 L CB -0.493 41.597 42.059 0.051 0.000 0.896 79 L HN 0.239 nan 8.230 nan 0.000 0.432 80 S N -0.115 115.551 115.700 -0.057 0.000 2.356 80 S HA -0.201 4.270 4.470 0.002 0.000 0.223 80 S C 2.010 176.569 174.600 -0.068 0.000 1.032 80 S CA 1.415 59.548 58.200 -0.113 0.000 1.005 80 S CB -0.019 63.138 63.200 -0.073 0.000 0.867 80 S HN 0.304 nan 8.310 nan 0.000 0.449 81 K N 0.676 121.068 120.400 -0.013 0.000 2.211 81 K HA 0.105 4.426 4.320 0.002 0.000 0.203 81 K C 1.355 177.976 176.600 0.035 0.000 1.050 81 K CA 0.970 57.264 56.287 0.012 0.000 0.945 81 K CB -0.084 32.428 32.500 0.019 0.000 0.732 81 K HN 0.350 nan 8.250 nan 0.000 0.451 82 N N 0.524 119.254 118.700 0.050 0.000 2.280 82 N HA -0.020 4.721 4.740 0.002 0.000 0.192 82 N C 0.698 176.302 175.510 0.156 0.000 1.109 82 N CA 0.589 53.696 53.050 0.095 0.000 0.855 82 N CB 0.768 39.315 38.487 0.100 0.000 0.974 82 N HN 0.321 nan 8.380 nan 0.000 0.482 83 T N -1.795 112.813 114.554 0.090 0.000 2.412 83 T HA 0.242 4.593 4.350 0.002 0.000 0.202 83 T C 0.801 175.589 174.700 0.147 0.000 0.848 83 T CA -0.425 61.756 62.100 0.135 0.000 1.196 83 T CB -0.522 68.241 68.868 -0.174 0.000 2.323 83 T HN -0.011 nan 8.240 nan 0.000 0.482 84 F N 0.252 120.269 119.950 0.112 0.000 2.639 84 F HA 0.709 5.237 4.527 0.002 0.000 0.300 84 F C 1.351 177.155 175.800 0.006 0.000 1.109 84 F CA -0.520 57.508 58.000 0.047 0.000 1.335 84 F CB -0.540 38.429 39.000 -0.050 0.000 1.014 84 F HN 0.934 nan 8.300 nan 0.000 0.537 85 G N 0.268 108.993 108.800 -0.125 0.000 2.149 85 G HA2 -0.076 3.885 3.960 0.002 0.000 0.235 85 G HA3 -0.076 3.885 3.960 0.002 0.000 0.235 85 G C 0.521 175.376 174.900 -0.075 0.000 1.018 85 G CA -0.166 44.898 45.100 -0.060 0.000 0.728 85 G HN 0.944 nan 8.290 nan 0.000 0.508 86 G N -0.851 107.826 108.800 -0.204 0.000 2.641 86 G HA2 0.670 4.631 3.960 0.002 0.000 0.239 86 G HA3 0.670 4.631 3.960 0.002 0.000 0.239 86 G C -0.022 174.815 174.900 -0.104 0.000 1.402 86 G CA -0.579 44.459 45.100 -0.103 0.000 1.046 86 G HN 0.411 nan 8.290 nan 0.000 0.565 87 K N -1.149 119.211 120.400 -0.067 0.000 2.208 87 K HA 0.621 4.942 4.320 0.002 0.000 0.247 87 K C -1.088 175.465 176.600 -0.078 0.000 0.953 87 K CA -0.573 55.688 56.287 -0.044 0.000 0.837 87 K CB 2.469 34.973 32.500 0.006 0.000 1.131 87 K HN 0.165 nan 8.250 nan 0.000 0.431 88 V N 2.305 122.163 119.914 -0.094 0.000 2.715 88 V HA 0.460 4.581 4.120 0.002 0.000 0.310 88 V C -1.116 174.885 176.094 -0.155 0.000 1.054 88 V CA -0.887 61.284 62.300 -0.215 0.000 0.928 88 V CB 1.385 32.958 31.823 -0.418 0.000 1.007 88 V HN 0.637 nan 8.190 nan 0.000 0.437 89 F N 4.027 123.787 119.950 -0.316 0.000 2.493 89 F HA 0.728 5.256 4.527 0.001 0.000 0.329 89 F C -1.041 174.587 175.800 -0.286 0.000 1.126 89 F CA -0.993 56.888 58.000 -0.198 0.000 0.937 89 F CB 1.312 40.297 39.000 -0.025 0.000 1.146 89 F HN 0.342 nan 8.300 nan 0.000 0.442 90 F N 5.135 124.682 119.950 -0.671 0.000 2.411 90 F HA 0.667 5.195 4.527 0.002 0.000 0.350 90 F C 0.587 176.000 175.800 -0.645 0.000 1.114 90 F CA -0.151 57.565 58.000 -0.473 0.000 1.135 90 F CB 0.846 39.680 39.000 -0.277 0.000 1.120 90 F HN 0.653 nan 8.300 nan 0.000 0.495 91 A N 3.042 125.868 122.820 0.010 0.000 2.637 91 A HA 0.541 4.862 4.320 0.002 0.000 0.258 91 A C 0.623 178.300 177.584 0.155 0.000 1.250 91 A CA -0.606 51.514 52.037 0.139 0.000 0.931 91 A CB 0.893 20.078 19.000 0.308 0.000 1.488 91 A HN 0.711 nan 8.150 nan 0.000 0.464 92 N N -1.085 117.714 118.700 0.165 0.000 2.210 92 N HA 0.114 4.854 4.740 0.002 0.000 0.203 92 N C -0.295 175.287 175.510 0.121 0.000 1.175 92 N CA 1.093 54.222 53.050 0.132 0.000 0.894 92 N CB 1.028 39.600 38.487 0.142 0.000 1.041 92 N HN 0.835 nan 8.380 nan 0.000 0.506 93 T N -4.523 110.117 114.554 0.144 0.000 2.792 93 T HA 0.446 4.797 4.350 0.002 0.000 0.303 93 T C 1.041 175.836 174.700 0.159 0.000 1.310 93 T CA -0.440 61.741 62.100 0.135 0.000 1.007 93 T CB 1.519 70.461 68.868 0.123 0.000 1.335 93 T HN -0.091 nan 8.240 nan 0.000 0.504 94 G N 0.159 109.054 108.800 0.158 0.000 2.421 94 G HA2 -0.146 3.815 3.960 0.002 0.000 0.216 94 G HA3 -0.146 3.815 3.960 0.002 0.000 0.216 94 G C 1.431 176.436 174.900 0.176 0.000 1.171 94 G CA 1.557 46.766 45.100 0.181 0.000 0.775 94 G HN 0.907 nan 8.290 nan 0.000 0.543 95 T N 0.149 114.791 114.554 0.147 0.000 2.788 95 T HA -0.091 4.260 4.350 0.002 0.000 0.268 95 T C 2.223 176.997 174.700 0.123 0.000 1.044 95 T CA 1.895 64.060 62.100 0.108 0.000 1.139 95 T CB -0.247 68.657 68.868 0.059 0.000 0.867 95 T HN 0.491 nan 8.240 nan 0.000 0.454 96 E N 0.307 120.597 120.200 0.150 0.000 2.110 96 E HA -0.060 4.291 4.350 0.002 0.000 0.193 96 E C 2.532 179.273 176.600 0.235 0.000 0.988 96 E CA 0.938 57.453 56.400 0.193 0.000 0.804 96 E CB -0.240 29.590 29.700 0.218 0.000 0.745 96 E HN 0.582 nan 8.360 nan 0.000 0.458 97 A N 1.871 124.828 122.820 0.229 0.000 1.908 97 A HA -0.222 4.099 4.320 0.002 0.000 0.218 97 A C 1.879 179.583 177.584 0.200 0.000 1.181 97 A CA 1.521 53.699 52.037 0.235 0.000 0.627 97 A CB -0.432 18.696 19.000 0.213 0.000 0.818 97 A HN 0.148 nan 8.150 nan 0.000 0.445 98 N N -0.122 118.698 118.700 0.200 0.000 2.270 98 N HA -0.096 4.645 4.740 0.002 0.000 0.181 98 N C 1.602 177.210 175.510 0.165 0.000 1.016 98 N CA 1.149 54.338 53.050 0.233 0.000 0.870 98 N CB -0.313 38.317 38.487 0.237 0.000 0.979 98 N HN 0.526 nan 8.380 nan 0.000 0.431 99 E N 1.183 121.444 120.200 0.103 0.000 2.051 99 E HA -0.098 4.253 4.350 0.002 0.000 0.192 99 E C 1.913 178.481 176.600 -0.053 0.000 0.991 99 E CA 0.872 57.296 56.400 0.039 0.000 0.799 99 E CB -0.217 29.519 29.700 0.059 0.000 0.748 99 E HN 0.304 nan 8.360 nan 0.000 0.449 100 A N 1.795 124.574 122.820 -0.069 0.000 1.908 100 A HA -0.155 4.166 4.320 0.002 0.000 0.218 100 A C 2.473 179.962 177.584 -0.158 0.000 1.181 100 A CA 2.217 54.075 52.037 -0.300 0.000 0.627 100 A CB -0.666 18.254 19.000 -0.134 0.000 0.818 100 A HN 0.285 nan 8.150 nan 0.000 0.445 101 A N -0.065 122.765 122.820 0.017 0.000 1.883 101 A HA -0.133 4.188 4.320 0.002 0.000 0.217 101 A C 2.131 179.816 177.584 0.167 0.000 1.186 101 A CA 1.625 53.706 52.037 0.073 0.000 0.624 101 A CB -0.673 18.401 19.000 0.122 0.000 0.822 101 A HN 0.514 nan 8.150 nan 0.000 0.444 102 I N -0.526 120.194 120.570 0.250 0.000 2.163 102 I HA -0.317 3.854 4.170 0.002 0.000 0.243 102 I C 2.515 178.663 176.117 0.052 0.000 1.085 102 I CA 1.849 63.258 61.300 0.182 0.000 1.347 102 I CB -0.267 37.789 38.000 0.093 0.000 1.044 102 I HN 0.313 nan 8.210 nan 0.000 0.408 103 K N 0.610 120.979 120.400 -0.050 0.000 2.057 103 K HA -0.106 4.215 4.320 0.002 0.000 0.206 103 K C 2.097 178.648 176.600 -0.082 0.000 1.050 103 K CA 1.313 57.535 56.287 -0.108 0.000 0.935 103 K CB -0.158 32.182 32.500 -0.267 0.000 0.715 103 K HN 0.264 nan 8.250 nan 0.000 0.439 104 I N 1.171 121.684 120.570 -0.095 0.000 2.163 104 I HA -0.319 3.852 4.170 0.002 0.000 0.243 104 I C 2.515 178.637 176.117 0.009 0.000 1.085 104 I CA 1.302 62.568 61.300 -0.058 0.000 1.347 104 I CB -0.373 37.576 38.000 -0.085 0.000 1.044 104 I HN 0.166 nan 8.210 nan 0.000 0.408 105 A N 0.520 123.349 122.820 0.016 0.000 1.902 105 A HA -0.186 4.135 4.320 0.002 0.000 0.217 105 A C 2.405 180.044 177.584 0.091 0.000 1.181 105 A CA 1.346 53.412 52.037 0.049 0.000 0.623 105 A CB -0.457 18.583 19.000 0.065 0.000 0.818 105 A HN 0.255 nan 8.150 nan 0.000 0.443 106 R N -0.334 120.199 120.500 0.056 0.000 2.081 106 R HA -0.125 4.216 4.340 0.002 0.000 0.235 106 R C 2.252 178.582 176.300 0.050 0.000 1.131 106 R CA 1.754 57.886 56.100 0.052 0.000 0.960 106 R CB -0.521 29.795 30.300 0.027 0.000 0.856 106 R HN 0.659 nan 8.270 nan 0.000 0.436 107 K N -0.053 120.369 120.400 0.037 0.000 2.057 107 K HA -0.195 4.126 4.320 0.002 0.000 0.207 107 K C 2.092 178.716 176.600 0.039 0.000 1.049 107 K CA 1.225 57.526 56.287 0.024 0.000 0.931 107 K CB -0.353 32.152 32.500 0.008 0.000 0.714 107 K HN 0.069 nan 8.250 nan 0.000 0.440 108 Y N 0.480 120.758 120.300 -0.036 0.000 2.128 108 Y HA -0.135 4.416 4.550 0.001 0.000 0.284 108 Y C 2.060 177.942 175.900 -0.030 0.000 1.154 108 Y CA 2.180 60.257 58.100 -0.038 0.000 1.149 108 Y CB -0.734 37.696 38.460 -0.051 0.000 0.976 108 Y HN 0.147 nan 8.280 nan 0.000 0.505 109 G N -0.347 108.490 108.800 0.060 0.000 2.402 109 G HA2 -0.230 3.731 3.960 0.002 0.000 0.216 109 G HA3 -0.230 3.731 3.960 0.002 0.000 0.216 109 G C 1.700 176.559 174.900 -0.068 0.000 1.162 109 G CA 0.700 45.793 45.100 -0.012 0.000 0.777 109 G HN 0.343 nan 8.290 nan 0.000 0.539 110 K N 0.267 120.650 120.400 -0.028 0.000 2.211 110 K HA -0.023 4.298 4.320 0.002 0.000 0.203 110 K C 2.457 179.019 176.600 -0.064 0.000 1.050 110 K CA 0.801 57.075 56.287 -0.022 0.000 0.945 110 K CB -0.047 32.451 32.500 -0.003 0.000 0.732 110 K HN 0.206 nan 8.250 nan 0.000 0.451 111 K N 0.310 120.640 120.400 -0.115 0.000 2.147 111 K HA -0.169 4.152 4.320 0.002 0.000 0.205 111 K C 1.760 178.273 176.600 -0.145 0.000 1.049 111 K CA 1.423 57.627 56.287 -0.137 0.000 0.936 111 K CB 0.094 32.478 32.500 -0.192 0.000 0.722 111 K HN -0.037 nan 8.250 nan 0.000 0.446 112 K N -0.452 119.845 120.400 -0.171 0.000 2.202 112 K HA 0.111 4.432 4.320 0.002 0.000 0.201 112 K C 0.398 176.950 176.600 -0.080 0.000 1.051 112 K CA 0.194 56.398 56.287 -0.137 0.000 0.977 112 K CB 0.856 33.258 32.500 -0.164 0.000 0.792 112 K HN -0.040 nan 8.250 nan 0.000 0.469 113 S N -0.788 114.877 115.700 -0.060 0.000 2.542 113 S HA 0.067 4.538 4.470 0.002 0.000 0.276 113 S C 0.290 174.894 174.600 0.006 0.000 1.148 113 S CA -0.319 57.865 58.200 -0.027 0.000 0.886 113 S CB 1.328 64.511 63.200 -0.029 0.000 1.109 113 S HN 0.125 nan 8.310 nan 0.000 0.458 114 E N 2.941 123.156 120.200 0.025 0.000 2.265 114 E HA -0.014 4.337 4.350 0.002 0.000 0.196 114 E C 1.021 177.723 176.600 0.169 0.000 0.996 114 E CA 1.223 57.666 56.400 0.071 0.000 0.832 114 E CB -0.646 29.083 29.700 0.048 0.000 0.756 114 E HN 0.749 nan 8.360 nan 0.000 0.491 115 K N 0.048 120.505 120.400 0.095 0.000 2.400 115 K HA 0.137 4.458 4.320 0.002 0.000 0.194 115 K C 1.435 177.929 176.600 -0.177 0.000 1.033 115 K CA 0.366 56.673 56.287 0.034 0.000 1.021 115 K CB 0.078 32.555 32.500 -0.037 0.000 0.808 115 K HN 0.125 nan 8.250 nan 0.000 0.505 116 K N 1.310 121.679 120.400 -0.053 0.000 2.518 116 K HA 0.012 4.333 4.320 0.002 0.000 0.244 116 K C -0.457 176.128 176.600 -0.024 0.000 1.232 116 K CA -0.192 56.038 56.287 -0.096 0.000 1.189 116 K CB 0.073 32.547 32.500 -0.044 0.000 1.737 116 K HN 0.148 nan 8.250 nan 0.000 0.333 117 Y N -0.902 119.361 120.300 -0.062 0.000 2.626 117 Y HA 0.363 4.914 4.550 0.002 0.000 0.248 117 Y C -0.180 175.627 175.900 -0.154 0.000 1.147 117 Y CA -1.013 57.036 58.100 -0.085 0.000 1.219 117 Y CB 0.029 38.450 38.460 -0.066 0.000 1.279 117 Y HN -0.045 nan 8.280 nan 0.000 0.541 118 R N 1.773 122.066 120.500 -0.346 0.000 2.539 118 R HA 0.593 4.934 4.340 0.002 0.000 0.275 118 R C -0.885 175.233 176.300 -0.304 0.000 1.077 118 R CA -0.282 55.621 56.100 -0.329 0.000 1.097 118 R CB 1.282 31.377 30.300 -0.342 0.000 1.018 118 R HN 0.254 nan 8.270 nan 0.000 0.483 119 I N 3.538 123.831 120.570 -0.462 0.000 2.533 119 I HA 0.315 4.486 4.170 0.002 0.000 0.290 119 I C -0.532 175.407 176.117 -0.297 0.000 1.056 119 I CA -0.730 60.307 61.300 -0.438 0.000 1.057 119 I CB 1.903 39.393 38.000 -0.849 0.000 1.240 119 I HN 0.299 nan 8.210 nan 0.000 0.423 120 L N 5.362 126.559 121.223 -0.044 0.000 2.317 120 L HA 0.656 4.997 4.340 0.002 0.000 0.281 120 L C 0.003 177.063 176.870 0.317 0.000 1.024 120 L CA -0.305 54.610 54.840 0.125 0.000 0.810 120 L CB 1.861 44.078 42.059 0.263 0.000 1.240 120 L HN 0.713 nan 8.230 nan 0.000 0.427 121 S N 1.322 117.127 115.700 0.175 0.000 2.685 121 S HA 0.855 5.326 4.470 0.002 0.000 0.282 121 S C -0.709 173.585 174.600 -0.511 0.000 1.159 121 S CA -0.814 57.470 58.200 0.141 0.000 0.833 121 S CB 1.869 65.231 63.200 0.271 0.000 1.151 121 S HN 0.688 nan 8.310 nan 0.000 0.485 122 A N 1.218 123.788 122.820 -0.417 0.000 2.327 122 A HA 0.569 4.890 4.320 0.002 0.000 0.283 122 A C 0.166 177.609 177.584 -0.235 0.000 1.127 122 A CA -0.561 51.104 52.037 -0.619 0.000 0.810 122 A CB -0.255 18.729 19.000 -0.027 0.000 1.066 122 A HN 0.826 nan 8.150 nan 0.000 0.492 123 H N 2.083 121.072 119.070 -0.134 0.000 3.064 123 H HA -0.038 4.519 4.556 0.001 0.000 0.329 123 H C 0.419 175.688 175.328 -0.098 0.000 1.020 123 H CA 1.716 57.701 56.048 -0.104 0.000 1.402 123 H CB 0.361 30.093 29.762 -0.050 0.000 1.379 123 H HN 0.883 nan 8.280 nan 0.000 0.594 124 N N -0.491 118.213 118.700 0.007 0.000 2.936 124 N HA -0.211 4.530 4.740 0.002 0.000 0.236 124 N C 0.171 175.648 175.510 -0.056 0.000 0.930 124 N CA 1.168 54.197 53.050 -0.035 0.000 0.966 124 N CB -1.396 37.063 38.487 -0.046 0.000 1.090 124 N HN 0.655 nan 8.380 nan 0.000 0.592 125 S N -0.134 115.524 115.700 -0.070 0.000 2.589 125 S HA 0.492 4.963 4.470 0.002 0.000 0.265 125 S C -0.142 174.413 174.600 -0.076 0.000 1.342 125 S CA -0.379 57.743 58.200 -0.130 0.000 1.005 125 S CB 1.133 64.270 63.200 -0.105 0.000 0.909 125 S HN 0.275 nan 8.310 nan 0.000 0.555 126 F N 1.116 120.844 119.950 -0.369 0.000 2.579 126 F HA 0.431 4.958 4.527 0.001 0.000 0.325 126 F C 0.241 175.825 175.800 -0.360 0.000 1.162 126 F CA -0.607 57.258 58.000 -0.226 0.000 0.946 126 F CB 1.474 40.434 39.000 -0.067 0.000 1.211 126 F HN 0.787 nan 8.300 nan 0.000 0.447 127 H N 3.577 122.390 119.070 -0.428 0.000 3.170 127 H HA 0.494 5.051 4.556 0.001 0.000 0.264 127 H C 0.775 175.915 175.328 -0.314 0.000 1.113 127 H CA 0.478 56.411 56.048 -0.192 0.000 1.194 127 H CB 1.110 30.830 29.762 -0.071 0.000 1.553 127 H HN 0.795 nan 8.280 nan 0.000 0.538 128 G N 0.575 108.942 108.800 -0.722 0.000 2.353 128 G HA2 -0.085 3.876 3.960 0.002 0.000 0.424 128 G HA3 -0.085 3.876 3.960 0.002 0.000 0.424 128 G C -0.040 174.612 174.900 -0.413 0.000 1.320 128 G CA -0.760 44.094 45.100 -0.411 0.000 0.995 128 G HN 0.048 nan 8.290 nan 0.000 0.580 129 R N -0.559 119.829 120.500 -0.186 0.000 2.344 129 R HA 0.183 4.524 4.340 0.002 0.000 0.209 129 R C 1.555 177.752 176.300 -0.173 0.000 0.886 129 R CA 1.038 57.033 56.100 -0.176 0.000 1.040 129 R CB 0.066 30.303 30.300 -0.106 0.000 1.114 129 R HN 0.912 nan 8.270 nan 0.000 0.547 130 T N -1.125 113.358 114.554 -0.117 0.000 2.860 130 T HA 0.194 4.545 4.350 0.002 0.000 0.299 130 T C 1.760 176.386 174.700 -0.122 0.000 1.045 130 T CA -0.412 61.629 62.100 -0.099 0.000 1.071 130 T CB 1.104 69.950 68.868 -0.037 0.000 0.985 130 T HN -0.060 nan 8.240 nan 0.000 0.537 131 L N 1.329 122.487 121.223 -0.108 0.000 2.201 131 L HA 0.068 4.409 4.340 0.002 0.000 0.212 131 L C 2.899 179.680 176.870 -0.149 0.000 1.105 131 L CA 1.371 56.140 54.840 -0.119 0.000 0.775 131 L CB -1.131 40.880 42.059 -0.080 0.000 0.913 131 L HN 1.015 nan 8.230 nan 0.000 0.440 132 G N -0.614 108.114 108.800 -0.120 0.000 2.414 132 G HA2 -0.220 3.741 3.960 0.002 0.000 0.215 132 G HA3 -0.220 3.741 3.960 0.002 0.000 0.215 132 G C 1.715 176.478 174.900 -0.229 0.000 1.188 132 G CA 0.810 45.823 45.100 -0.145 0.000 0.783 132 G HN 0.316 nan 8.290 nan 0.000 0.537 133 S N 0.294 115.899 115.700 -0.158 0.000 2.399 133 S HA -0.088 4.383 4.470 0.002 0.000 0.231 133 S C 2.127 176.596 174.600 -0.219 0.000 1.022 133 S CA 0.978 59.079 58.200 -0.164 0.000 0.983 133 S CB -0.217 62.924 63.200 -0.099 0.000 0.803 133 S HN 0.223 nan 8.310 nan 0.000 0.480 134 L N 1.811 122.899 121.223 -0.225 0.000 2.141 134 L HA -0.032 4.309 4.340 0.002 0.000 0.209 134 L C 2.119 178.868 176.870 -0.203 0.000 1.094 134 L CA 1.693 56.410 54.840 -0.204 0.000 0.763 134 L CB -1.204 40.759 42.059 -0.161 0.000 0.908 134 L HN 0.202 nan 8.230 nan 0.000 0.437 135 T N -0.499 113.847 114.554 -0.347 0.000 2.821 135 T HA -0.065 4.286 4.350 0.002 0.000 0.267 135 T C 1.900 176.310 174.700 -0.484 0.000 1.046 135 T CA 1.071 62.858 62.100 -0.522 0.000 1.139 135 T CB -0.406 67.871 68.868 -0.986 0.000 0.871 135 T HN 0.468 nan 8.240 nan 0.000 0.454 136 A N 1.248 123.796 122.820 -0.454 0.000 1.969 136 A HA 0.030 4.351 4.320 0.002 0.000 0.218 136 A C 1.596 179.303 177.584 0.204 0.000 1.169 136 A CA 0.793 52.799 52.037 -0.051 0.000 0.635 136 A CB -0.819 18.022 19.000 -0.265 0.000 0.810 136 A HN 0.400 nan 8.150 nan 0.000 0.445 137 T N 1.422 116.002 114.554 0.043 0.000 2.793 137 T HA 0.338 4.689 4.350 0.002 0.000 0.289 137 T C 0.884 175.563 174.700 -0.036 0.000 0.956 137 T CA 0.545 62.636 62.100 -0.016 0.000 1.177 137 T CB 0.781 69.534 68.868 -0.191 0.000 0.897 137 T HN 0.359 nan 8.240 nan 0.000 0.533 138 G N 3.938 112.695 108.800 -0.073 0.000 3.541 138 G HA2 0.254 4.214 3.960 0.002 0.000 0.253 138 G HA3 0.254 4.214 3.960 0.002 0.000 0.253 138 G C 0.037 174.786 174.900 -0.252 0.000 1.017 138 G CA -0.394 44.495 45.100 -0.351 0.000 1.832 138 G HN 0.697 nan 8.290 nan 0.000 0.649 139 Q N 0.224 119.915 119.800 -0.182 0.000 2.589 139 Q HA 0.148 4.489 4.340 0.002 0.000 0.245 139 Q C -2.191 173.721 176.000 -0.146 0.000 0.931 139 Q CA -1.699 54.014 55.803 -0.151 0.000 0.730 139 Q CB 2.803 31.469 28.738 -0.119 0.000 1.315 139 Q HN 0.067 nan 8.270 nan 0.000 0.469 140 P HA -0.299 nan 4.420 nan 0.000 0.217 140 P C 1.148 178.401 177.300 -0.079 0.000 1.148 140 P CA 1.531 64.572 63.100 -0.100 0.000 0.834 140 P CB 0.227 31.870 31.700 -0.094 0.000 0.783 141 K N -1.576 118.730 120.400 -0.157 0.000 2.097 141 K HA -0.185 4.136 4.320 0.002 0.000 0.206 141 K C 1.430 178.031 176.600 0.002 0.000 1.049 141 K CA 1.569 57.769 56.287 -0.145 0.000 0.933 141 K CB -1.042 31.305 32.500 -0.255 0.000 0.717 141 K HN 0.116 nan 8.250 nan 0.000 0.442 142 Y N 1.769 122.112 120.300 0.071 0.000 2.516 142 Y HA 0.057 4.608 4.550 0.001 0.000 0.291 142 Y C 2.034 178.063 175.900 0.214 0.000 1.131 142 Y CA 0.361 58.549 58.100 0.147 0.000 1.281 142 Y CB -0.114 38.427 38.460 0.135 0.000 1.013 142 Y HN 0.223 nan 8.280 nan 0.000 0.554 143 Q N -0.850 119.103 119.800 0.256 0.000 2.324 143 Q HA -0.078 4.263 4.340 0.002 0.000 0.207 143 Q C 2.367 178.452 176.000 0.142 0.000 0.928 143 Q CA 0.589 56.520 55.803 0.214 0.000 0.890 143 Q CB 0.069 28.857 28.738 0.083 0.000 1.001 143 Q HN 0.093 nan 8.270 nan 0.000 0.517 144 K N 0.694 121.106 120.400 0.021 0.000 2.074 144 K HA -0.121 4.200 4.320 0.002 0.000 0.209 144 K C -0.886 175.593 176.600 -0.202 0.000 1.048 144 K CA 1.542 57.788 56.287 -0.069 0.000 0.926 144 K CB -1.471 30.984 32.500 -0.074 0.000 0.713 144 K HN 0.279 nan 8.250 nan 0.000 0.444 145 P HA -0.033 nan 4.420 nan 0.000 0.225 145 P C 0.585 177.397 177.300 -0.813 0.000 1.148 145 P CA 1.015 63.644 63.100 -0.784 0.000 0.779 145 P CB -0.021 30.918 31.700 -1.268 0.000 0.780 146 F N -1.205 118.745 119.950 0.000 0.000 2.682 146 F HA 0.233 4.761 4.527 0.001 0.000 0.308 146 F C 0.978 176.772 175.800 -0.010 0.000 1.093 146 F CA -0.747 57.249 58.000 -0.006 0.000 1.244 146 F CB -0.618 38.376 39.000 -0.009 0.000 1.052 146 F HN -0.194 nan 8.300 nan 0.000 0.573 147 E N 3.087 123.327 120.200 0.066 0.000 2.418 147 E HA 0.089 4.440 4.350 0.002 0.000 0.261 147 E C -1.871 174.750 176.600 0.034 0.000 1.070 147 E CA -1.466 54.962 56.400 0.047 0.000 0.931 147 E CB 0.039 29.751 29.700 0.019 0.000 0.954 147 E HN -0.010 nan 8.360 nan 0.000 0.439 148 P HA 0.115 nan 4.420 nan 0.000 0.276 148 P C -0.633 176.688 177.300 0.034 0.000 1.230 148 P CA 0.096 63.215 63.100 0.033 0.000 0.776 148 P CB 0.778 32.494 31.700 0.027 0.000 0.888 149 L N 1.588 122.828 121.223 0.028 0.000 2.751 149 L HA 0.377 4.718 4.340 0.002 0.000 0.241 149 L C 0.453 177.318 176.870 -0.009 0.000 1.146 149 L CA -1.505 53.333 54.840 -0.004 0.000 0.879 149 L CB 0.304 42.343 42.059 -0.033 0.000 1.687 149 L HN 0.081 nan 8.230 nan 0.000 0.527 150 V N 1.225 121.104 119.914 -0.058 0.000 2.521 150 V HA 0.086 4.207 4.120 0.002 0.000 0.286 150 V C -2.003 174.179 176.094 0.147 0.000 1.034 150 V CA -1.039 61.277 62.300 0.026 0.000 1.045 150 V CB 0.238 32.083 31.823 0.037 0.000 0.974 150 V HN 0.541 nan 8.190 nan 0.000 0.480 151 P HA 0.360 nan 4.420 nan 0.000 0.272 151 P C 0.818 178.306 177.300 0.313 0.000 1.230 151 P CA 0.718 63.931 63.100 0.188 0.000 0.788 151 P CB 0.665 32.428 31.700 0.106 0.000 0.949 152 G N -0.743 108.227 108.800 0.284 0.000 2.144 152 G HA2 -0.196 3.765 3.960 0.002 0.000 0.218 152 G HA3 -0.196 3.765 3.960 0.002 0.000 0.218 152 G C -0.369 174.519 174.900 -0.020 0.000 0.988 152 G CA -0.611 44.614 45.100 0.209 0.000 0.659 152 G HN 0.325 nan 8.290 nan 0.000 0.522 153 F N 0.828 120.726 119.950 -0.086 0.000 2.443 153 F HA 0.756 5.284 4.527 0.002 0.000 0.335 153 F C 0.465 175.999 175.800 -0.444 0.000 1.104 153 F CA -0.877 56.970 58.000 -0.254 0.000 1.013 153 F CB 1.876 40.722 39.000 -0.256 0.000 1.136 153 F HN 0.150 nan 8.300 nan 0.000 0.470 154 E N 1.629 121.564 120.200 -0.442 0.000 2.393 154 E HA 0.498 4.849 4.350 0.002 0.000 0.273 154 E C -1.906 174.275 176.600 -0.699 0.000 0.918 154 E CA -0.753 55.342 56.400 -0.509 0.000 0.773 154 E CB 1.942 31.537 29.700 -0.175 0.000 1.275 154 E HN 0.494 nan 8.360 nan 0.000 0.451 155 Y N 1.059 121.318 120.300 -0.068 0.000 2.485 155 Y HA 0.505 5.056 4.550 0.001 0.000 0.345 155 Y C -0.357 175.361 175.900 -0.305 0.000 0.998 155 Y CA -0.892 56.987 58.100 -0.368 0.000 1.059 155 Y CB 1.251 39.291 38.460 -0.699 0.000 1.234 155 Y HN 0.396 nan 8.280 nan 0.000 0.461 156 F N -1.632 118.284 119.950 -0.058 0.000 2.620 156 F HA 0.634 5.162 4.527 0.002 0.000 0.320 156 F C -0.559 175.399 175.800 0.263 0.000 1.069 156 F CA -1.761 56.311 58.000 0.120 0.000 0.953 156 F CB 1.339 40.434 39.000 0.157 0.000 1.322 156 F HN 0.450 nan 8.300 nan 0.000 0.479 157 E N 1.888 122.429 120.200 0.568 0.000 2.257 157 E HA 0.160 4.511 4.350 0.002 0.000 0.278 157 E C -1.025 175.817 176.600 0.403 0.000 1.049 157 E CA -0.666 55.993 56.400 0.431 0.000 0.876 157 E CB 0.497 30.360 29.700 0.271 0.000 1.035 157 E HN 0.601 nan 8.360 nan 0.000 0.419 158 F N 5.541 125.564 119.950 0.122 0.000 2.607 158 F HA -0.072 4.456 4.527 0.002 0.000 0.374 158 F C 0.903 176.434 175.800 -0.447 0.000 1.104 158 F CA 0.788 58.747 58.000 -0.068 0.000 1.296 158 F CB 0.223 39.219 39.000 -0.006 0.000 1.085 158 F HN 0.718 nan 8.300 nan 0.000 0.584 159 N N 1.404 119.018 118.700 -1.809 0.000 2.909 159 N HA -0.292 4.449 4.740 0.002 0.000 0.242 159 N C -0.809 174.240 175.510 -0.767 0.000 0.975 159 N CA 0.956 53.096 53.050 -1.517 0.000 0.921 159 N CB -1.562 36.560 38.487 -0.609 0.000 1.112 159 N HN 0.578 nan 8.380 nan 0.000 0.581 160 N N 1.092 119.475 118.700 -0.528 0.000 2.609 160 N HA 0.302 5.043 4.740 0.002 0.000 0.234 160 N C 1.155 176.767 175.510 0.168 0.000 1.001 160 N CA -0.192 52.824 53.050 -0.057 0.000 0.926 160 N CB 0.826 39.341 38.487 0.046 0.000 1.130 160 N HN -0.111 nan 8.380 nan 0.000 0.510 161 V N 2.741 122.785 119.914 0.217 0.000 2.287 161 V HA -0.225 3.896 4.120 0.002 0.000 0.248 161 V C 2.173 178.337 176.094 0.117 0.000 1.053 161 V CA 1.918 64.360 62.300 0.238 0.000 1.027 161 V CB -0.414 31.499 31.823 0.150 0.000 0.646 161 V HN 0.621 nan 8.190 nan 0.000 0.447 162 E N 0.351 120.604 120.200 0.088 0.000 2.150 162 E HA -0.218 4.133 4.350 0.002 0.000 0.193 162 E C 1.765 178.404 176.600 0.066 0.000 0.985 162 E CA 1.561 57.997 56.400 0.060 0.000 0.814 162 E CB -0.398 29.333 29.700 0.052 0.000 0.752 162 E HN 0.650 nan 8.360 nan 0.000 0.466 163 D N -0.970 119.493 120.400 0.105 0.000 2.117 163 D HA -0.131 4.510 4.640 0.002 0.000 0.198 163 D C 1.838 178.207 176.300 0.116 0.000 0.982 163 D CA 0.910 54.993 54.000 0.138 0.000 0.828 163 D CB -0.154 40.771 40.800 0.207 0.000 0.967 163 D HN 0.263 nan 8.370 nan 0.000 0.464 164 L N 0.861 122.120 121.223 0.061 0.000 2.017 164 L HA -0.066 4.274 4.340 0.002 0.000 0.208 164 L C 2.257 179.028 176.870 -0.164 0.000 1.073 164 L CA 1.733 56.451 54.840 -0.202 0.000 0.745 164 L CB -0.714 41.112 42.059 -0.388 0.000 0.894 164 L HN -0.049 nan 8.230 nan 0.000 0.432 165 R N 0.180 120.626 120.500 -0.090 0.000 2.081 165 R HA -0.202 4.139 4.340 0.002 0.000 0.235 165 R C 2.434 178.685 176.300 -0.082 0.000 1.131 165 R CA 1.821 57.873 56.100 -0.081 0.000 0.960 165 R CB -0.282 30.007 30.300 -0.019 0.000 0.856 165 R HN 0.607 nan 8.270 nan 0.000 0.436 166 R N 0.488 120.967 120.500 -0.035 0.000 2.235 166 R HA 0.012 4.353 4.340 0.002 0.000 0.213 166 R C 0.355 176.625 176.300 -0.050 0.000 1.059 166 R CA 0.704 56.790 56.100 -0.024 0.000 0.997 166 R CB 0.007 30.316 30.300 0.015 0.000 0.884 166 R HN 0.001 nan 8.270 nan 0.000 0.462 170 E N 0.027 120.300 120.200 0.122 0.000 2.338 170 E HA -0.099 4.252 4.350 0.002 0.000 0.197 170 E C 0.110 176.711 176.600 0.002 0.000 1.007 170 E CA 1.166 57.641 56.400 0.124 0.000 0.849 170 E CB -0.494 29.257 29.700 0.085 0.000 0.774 170 E HN 0.563 nan 8.360 nan 0.000 0.506 171 D N 1.026 121.382 120.400 -0.072 0.000 2.349 171 D HA 0.039 4.680 4.640 0.002 0.000 0.224 171 D C 0.004 176.195 176.300 -0.181 0.000 1.029 171 D CA 0.199 54.109 54.000 -0.151 0.000 0.879 171 D CB 0.443 41.112 40.800 -0.218 0.000 0.906 171 D HN 0.025 nan 8.370 nan 0.000 0.528 172 V N 1.843 121.675 119.914 -0.137 0.000 2.488 172 V HA 0.003 4.124 4.120 0.002 0.000 0.277 172 V C 1.680 177.737 176.094 -0.063 0.000 1.046 172 V CA -0.397 61.823 62.300 -0.134 0.000 0.986 172 V CB 1.291 33.021 31.823 -0.155 0.000 0.989 172 V HN 0.368 nan 8.190 nan 0.000 0.475 173 C N 2.461 121.728 119.300 -0.054 0.000 2.865 173 C HA 0.773 5.234 4.460 0.002 0.000 0.280 173 C C 0.826 175.816 174.990 0.000 0.000 1.255 173 C CA 0.069 59.103 59.018 0.027 0.000 1.705 173 C CB -0.889 26.886 27.740 0.058 0.000 2.080 173 C HN 0.977 nan 8.230 nan 0.000 0.591 174 A N -0.074 122.731 122.820 -0.026 0.000 2.604 174 A HA 0.682 5.002 4.320 0.002 0.000 0.295 174 A C -1.522 176.087 177.584 0.041 0.000 1.067 174 A CA -0.221 51.806 52.037 -0.017 0.000 0.683 174 A CB 0.946 19.978 19.000 0.053 0.000 1.281 174 A HN 0.382 nan 8.150 nan 0.000 0.407 175 V N 1.563 121.487 119.914 0.017 0.000 2.444 175 V HA 0.535 4.656 4.120 0.002 0.000 0.294 175 V C -1.227 174.967 176.094 0.167 0.000 1.022 175 V CA -0.255 62.123 62.300 0.130 0.000 0.850 175 V CB 1.092 32.914 31.823 -0.003 0.000 0.992 175 V HN 0.691 nan 8.190 nan 0.000 0.426 176 F N 5.436 125.471 119.950 0.142 0.000 2.408 176 F HA 0.727 5.255 4.527 0.002 0.000 0.344 176 F C 0.025 176.041 175.800 0.360 0.000 1.112 176 F CA -0.576 57.502 58.000 0.130 0.000 1.096 176 F CB 1.423 40.357 39.000 -0.110 0.000 1.129 176 F HN 0.191 nan 8.300 nan 0.000 0.486 177 L N 2.942 124.482 121.223 0.529 0.000 2.482 177 L HA 0.352 4.693 4.340 0.002 0.000 0.263 177 L C -0.853 176.315 176.870 0.496 0.000 0.957 177 L CA -0.845 54.357 54.840 0.603 0.000 0.836 177 L CB 2.524 44.909 42.059 0.544 0.000 1.324 177 L HN 0.503 nan 8.230 nan 0.000 0.406 178 E N 3.828 124.301 120.200 0.456 0.000 2.223 178 E HA 0.117 4.467 4.350 0.002 0.000 0.282 178 E C -1.725 174.997 176.600 0.203 0.000 1.046 178 E CA -1.561 54.999 56.400 0.267 0.000 0.857 178 E CB 1.099 30.884 29.700 0.141 0.000 1.055 178 E HN 0.310 nan 8.360 nan 0.000 0.409 179 P HA -0.143 nan 4.420 nan 0.000 0.217 179 P C -0.207 177.196 177.300 0.171 0.000 1.148 179 P CA 1.307 64.328 63.100 -0.132 0.000 0.828 179 P CB 0.297 31.852 31.700 -0.242 0.000 0.783 180 I N -0.992 119.692 120.570 0.190 0.000 2.439 180 I HA 0.177 4.348 4.170 0.002 0.000 0.285 180 I C 0.094 176.242 176.117 0.051 0.000 1.021 180 I CA -0.909 60.500 61.300 0.183 0.000 1.091 180 I CB 1.849 39.951 38.000 0.170 0.000 1.242 180 I HN -0.236 nan 8.210 nan 0.000 0.439 181 Q N 3.397 123.120 119.800 -0.128 0.000 2.337 181 Q HA 0.190 4.530 4.340 0.002 0.000 0.270 181 Q C 0.822 176.768 176.000 -0.090 0.000 1.002 181 Q CA 0.172 55.841 55.803 -0.224 0.000 0.888 181 Q CB 1.774 30.214 28.738 -0.497 0.000 1.222 181 Q HN 0.941 nan 8.270 nan 0.000 0.400 182 G N 1.727 110.498 108.800 -0.048 0.000 2.765 182 G HA2 -0.116 3.845 3.960 0.002 0.000 0.218 182 G HA3 -0.116 3.845 3.960 0.002 0.000 0.218 182 G C 0.846 175.722 174.900 -0.039 0.000 1.271 182 G CA -0.072 45.016 45.100 -0.019 0.000 0.865 182 G HN 0.490 nan 8.290 nan 0.000 0.604 183 E N 1.696 121.862 120.200 -0.056 0.000 2.209 183 E HA -0.139 4.212 4.350 0.002 0.000 0.196 183 E C 2.798 179.373 176.600 -0.042 0.000 0.993 183 E CA 1.344 57.692 56.400 -0.086 0.000 0.819 183 E CB -0.382 29.213 29.700 -0.175 0.000 0.745 183 E HN 0.505 nan 8.360 nan 0.000 0.477 184 S N -0.870 114.802 115.700 -0.046 0.000 2.515 184 S HA 0.110 4.581 4.470 0.002 0.000 0.231 184 S C 1.387 175.958 174.600 -0.048 0.000 0.987 184 S CA 0.796 58.965 58.200 -0.053 0.000 0.936 184 S CB 0.186 63.329 63.200 -0.094 0.000 0.766 184 S HN 0.279 nan 8.310 nan 0.000 0.528 185 G N 1.286 110.061 108.800 -0.041 0.000 2.157 185 G HA2 -0.030 3.931 3.960 0.002 0.000 0.118 185 G HA3 -0.030 3.931 3.960 0.002 0.000 0.118 185 G C 0.033 174.915 174.900 -0.030 0.000 1.032 185 G CA -0.542 44.540 45.100 -0.030 0.000 0.697 185 G HN 0.777 nan 8.290 nan 0.000 0.495 186 I N -1.391 119.164 120.570 -0.027 0.000 7.874 186 I HA -0.184 3.987 4.170 0.002 0.000 0.126 186 I C 0.113 176.231 176.117 0.002 0.000 1.833 186 I CA 0.543 61.838 61.300 -0.007 0.000 2.070 186 I CB -2.141 35.861 38.000 0.003 0.000 3.702 186 I HN 0.477 nan 8.210 nan 0.000 0.179 187 V N 7.174 127.086 119.914 -0.003 0.000 2.340 187 V HA 0.350 4.471 4.120 0.002 0.000 0.277 187 V C -1.962 174.242 176.094 0.183 0.000 1.017 187 V CA -1.501 60.832 62.300 0.055 0.000 0.820 187 V CB 1.901 33.719 31.823 -0.008 0.000 1.028 187 V HN 0.341 nan 8.190 nan 0.000 0.436 188 P HA 0.232 nan 4.420 nan 0.000 0.268 188 P C 0.015 177.576 177.300 0.436 0.000 1.205 188 P CA 0.204 63.502 63.100 0.329 0.000 0.771 188 P CB 0.695 32.547 31.700 0.253 0.000 0.858 189 A N 2.847 125.928 122.820 0.435 0.000 2.425 189 A HA 0.410 4.731 4.320 0.002 0.000 0.242 189 A C 0.672 178.370 177.584 0.190 0.000 1.077 189 A CA 0.072 52.168 52.037 0.097 0.000 0.781 189 A CB -0.541 18.386 19.000 -0.121 0.000 1.020 189 A HN 0.623 nan 8.150 nan 0.000 0.494 190 T N -0.615 113.997 114.554 0.097 0.000 2.899 190 T HA 0.248 4.599 4.350 0.002 0.000 0.295 190 T C 0.983 175.816 174.700 0.222 0.000 1.033 190 T CA 0.006 62.215 62.100 0.183 0.000 1.084 190 T CB 0.965 69.898 68.868 0.108 0.000 0.979 190 T HN 0.716 nan 8.240 nan 0.000 0.532 191 K N 0.608 121.188 120.400 0.301 0.000 2.097 191 K HA -0.192 4.129 4.320 0.002 0.000 0.206 191 K C 2.199 178.884 176.600 0.142 0.000 1.049 191 K CA 1.701 58.161 56.287 0.289 0.000 0.933 191 K CB -0.178 32.485 32.500 0.271 0.000 0.717 191 K HN 0.884 nan 8.250 nan 0.000 0.442 192 E N -0.241 120.032 120.200 0.122 0.000 2.058 192 E HA -0.245 4.106 4.350 0.002 0.000 0.194 192 E C 1.866 178.511 176.600 0.076 0.000 0.997 192 E CA 1.353 57.804 56.400 0.086 0.000 0.801 192 E CB -0.243 29.508 29.700 0.086 0.000 0.746 192 E HN 0.355 nan 8.360 nan 0.000 0.450 193 F N 1.349 121.260 119.950 -0.065 0.000 2.102 193 F HA -0.148 4.380 4.527 0.001 0.000 0.298 193 F C 1.981 177.709 175.800 -0.121 0.000 1.105 193 F CA 1.397 59.323 58.000 -0.124 0.000 1.239 193 F CB -0.233 38.637 39.000 -0.217 0.000 0.991 193 F HN 0.018 nan 8.300 nan 0.000 0.474 194 L N -0.244 120.874 121.223 -0.174 0.000 2.093 194 L HA -0.192 4.149 4.340 0.002 0.000 0.208 194 L C 2.353 179.153 176.870 -0.117 0.000 1.085 194 L CA 1.582 56.307 54.840 -0.192 0.000 0.755 194 L CB -0.850 41.105 42.059 -0.174 0.000 0.904 194 L HN 0.179 nan 8.230 nan 0.000 0.435 195 E N 0.026 120.189 120.200 -0.061 0.000 2.077 195 E HA -0.280 4.071 4.350 0.002 0.000 0.193 195 E C 2.015 178.554 176.600 -0.101 0.000 0.989 195 E CA 1.356 57.730 56.400 -0.043 0.000 0.800 195 E CB 0.041 29.742 29.700 0.001 0.000 0.746 195 E HN 0.359 nan 8.360 nan 0.000 0.452 196 E N 1.042 121.154 120.200 -0.147 0.000 2.051 196 E HA -0.180 4.171 4.350 0.002 0.000 0.192 196 E C 1.877 178.329 176.600 -0.248 0.000 0.991 196 E CA 1.482 57.775 56.400 -0.178 0.000 0.799 196 E CB -0.244 29.344 29.700 -0.186 0.000 0.748 196 E HN 0.218 nan 8.360 nan 0.000 0.449 197 A N 0.629 123.215 122.820 -0.390 0.000 1.940 197 A HA -0.220 4.101 4.320 0.002 0.000 0.219 197 A C 2.256 179.699 177.584 -0.235 0.000 1.176 197 A CA 2.045 53.859 52.037 -0.372 0.000 0.631 197 A CB -0.667 18.073 19.000 -0.435 0.000 0.814 197 A HN 0.239 nan 8.150 nan 0.000 0.446 198 R N 0.262 120.644 120.500 -0.196 0.000 2.073 198 R HA -0.087 4.254 4.340 0.002 0.000 0.234 198 R C 2.004 178.216 176.300 -0.147 0.000 1.134 198 R CA 2.188 58.178 56.100 -0.184 0.000 0.952 198 R CB -0.435 29.774 30.300 -0.152 0.000 0.850 198 R HN 0.553 nan 8.270 nan 0.000 0.433 199 K N 0.045 120.374 120.400 -0.117 0.000 2.057 199 K HA -0.115 4.205 4.320 0.002 0.000 0.207 199 K C 2.125 178.685 176.600 -0.067 0.000 1.049 199 K CA 1.765 58.000 56.287 -0.087 0.000 0.931 199 K CB -0.285 32.173 32.500 -0.069 0.000 0.714 199 K HN 0.188 nan 8.250 nan 0.000 0.440 200 L N 0.544 121.730 121.223 -0.061 0.000 2.046 200 L HA -0.249 4.092 4.340 0.002 0.000 0.208 200 L C 2.673 179.578 176.870 0.058 0.000 1.077 200 L CA 0.977 55.837 54.840 0.033 0.000 0.747 200 L CB -0.539 41.499 42.059 -0.034 0.000 0.896 200 L HN 0.312 nan 8.230 nan 0.000 0.432 201 C N -0.160 119.105 119.300 -0.059 0.000 2.425 201 C HA -0.159 4.302 4.460 0.002 0.000 0.277 201 C C 2.437 177.391 174.990 -0.060 0.000 1.280 201 C CA 0.593 59.566 59.018 -0.074 0.000 1.744 201 C CB -0.814 26.824 27.740 -0.170 0.000 1.989 201 C HN 0.555 nan 8.230 nan 0.000 0.491 202 D N 0.618 120.967 120.400 -0.085 0.000 2.117 202 D HA -0.110 4.531 4.640 0.002 0.000 0.197 202 D C 2.077 178.331 176.300 -0.077 0.000 0.987 202 D CA 1.213 55.162 54.000 -0.085 0.000 0.829 202 D CB -0.506 40.236 40.800 -0.096 0.000 0.961 202 D HN 0.609 nan 8.370 nan 0.000 0.460 203 E N -0.681 119.466 120.200 -0.088 0.000 2.106 203 E HA -0.142 4.209 4.350 0.002 0.000 0.192 203 E C 1.171 177.583 176.600 -0.314 0.000 0.984 203 E CA 0.721 56.995 56.400 -0.210 0.000 0.806 203 E CB -0.041 29.492 29.700 -0.279 0.000 0.750 203 E HN 0.401 nan 8.360 nan 0.000 0.458 204 Y N 0.119 120.380 120.300 -0.065 0.000 2.485 204 Y HA 0.084 4.634 4.550 0.001 0.000 0.260 204 Y C -0.024 175.855 175.900 -0.036 0.000 1.173 204 Y CA -0.060 58.006 58.100 -0.055 0.000 1.252 204 Y CB 0.532 38.951 38.460 -0.068 0.000 1.123 204 Y HN -0.099 nan 8.280 nan 0.000 0.524 205 D N 0.691 121.132 120.400 0.068 0.000 2.697 205 D HA -0.175 4.466 4.640 0.002 0.000 0.238 205 D C -0.401 175.982 176.300 0.139 0.000 1.152 205 D CA 0.729 54.783 54.000 0.089 0.000 0.666 205 D CB -0.837 40.016 40.800 0.088 0.000 1.037 205 D HN 0.353 nan 8.370 nan 0.000 0.423 206 A N 0.770 123.616 122.820 0.043 0.000 2.354 206 A HA 0.778 5.099 4.320 0.002 0.000 0.321 206 A C -0.004 177.473 177.584 -0.177 0.000 1.125 206 A CA -0.775 51.249 52.037 -0.021 0.000 0.799 206 A CB 1.174 20.154 19.000 -0.033 0.000 1.293 206 A HN 0.255 nan 8.150 nan 0.000 0.452 207 L N 1.439 122.505 121.223 -0.261 0.000 2.331 207 L HA 0.291 4.632 4.340 0.002 0.000 0.278 207 L C -0.477 176.194 176.870 -0.333 0.000 1.106 207 L CA -0.650 53.965 54.840 -0.374 0.000 0.824 207 L CB 0.952 42.756 42.059 -0.426 0.000 1.142 207 L HN 0.612 nan 8.230 nan 0.000 0.443 208 L N 5.157 126.140 121.223 -0.400 0.000 2.260 208 L HA 0.362 4.703 4.340 0.002 0.000 0.289 208 L C -0.375 176.160 176.870 -0.558 0.000 1.057 208 L CA 0.083 54.655 54.840 -0.447 0.000 0.811 208 L CB 1.299 43.038 42.059 -0.533 0.000 1.184 208 L HN 0.246 nan 8.230 nan 0.000 0.429 209 V N 6.399 126.005 119.914 -0.514 0.000 2.357 209 V HA 0.390 4.511 4.120 0.002 0.000 0.284 209 V C -0.475 175.495 176.094 -0.206 0.000 1.018 209 V CA -0.525 61.432 62.300 -0.572 0.000 0.841 209 V CB 1.058 32.176 31.823 -1.175 0.000 0.991 209 V HN 0.426 nan 8.190 nan 0.000 0.437 210 F N 2.864 122.686 119.950 -0.214 0.000 2.391 210 F HA 0.372 4.899 4.527 0.001 0.000 0.359 210 F C 0.538 176.357 175.800 0.033 0.000 1.122 210 F CA -1.641 56.334 58.000 -0.042 0.000 1.120 210 F CB 1.140 40.136 39.000 -0.006 0.000 1.142 210 F HN 0.483 nan 8.300 nan 0.000 0.483 211 D N 3.796 124.398 120.400 0.337 0.000 2.393 211 D HA 0.064 4.705 4.640 0.002 0.000 0.232 211 D C 0.170 176.658 176.300 0.313 0.000 1.192 211 D CA 0.195 54.400 54.000 0.341 0.000 0.882 211 D CB 0.380 41.490 40.800 0.517 0.000 1.038 211 D HN 0.592 nan 8.370 nan 0.000 0.499 212 E N 2.925 123.310 120.200 0.307 0.000 2.499 212 E HA 0.060 4.411 4.350 0.002 0.000 0.207 212 E C 1.523 178.313 176.600 0.318 0.000 1.034 212 E CA -0.159 56.445 56.400 0.341 0.000 1.098 212 E CB 1.003 30.997 29.700 0.490 0.000 1.148 212 E HN 0.331 nan 8.360 nan 0.000 0.447 213 V N 0.826 120.903 119.914 0.272 0.000 2.332 213 V HA -0.310 3.811 4.120 0.002 0.000 0.248 213 V C 2.385 178.591 176.094 0.186 0.000 1.055 213 V CA 2.111 64.551 62.300 0.232 0.000 1.038 213 V CB -0.235 31.727 31.823 0.231 0.000 0.651 213 V HN 0.347 nan 8.190 nan 0.000 0.450 214 Q N -0.819 119.085 119.800 0.172 0.000 2.226 214 Q HA -0.106 4.234 4.340 0.002 0.000 0.199 214 Q C 2.185 178.250 176.000 0.108 0.000 0.945 214 Q CA 1.507 57.382 55.803 0.120 0.000 0.861 214 Q CB 0.105 28.902 28.738 0.099 0.000 0.953 214 Q HN 0.840 nan 8.270 nan 0.000 0.490 215 C N -0.696 118.689 119.300 0.142 0.000 2.626 215 C HA 0.513 4.974 4.460 0.002 0.000 0.266 215 C C 1.247 176.315 174.990 0.130 0.000 1.317 215 C CA -0.503 58.592 59.018 0.129 0.000 1.716 215 C CB -1.238 26.595 27.740 0.156 0.000 1.819 215 C HN 0.367 nan 8.230 nan 0.000 0.578 219 R N 1.160 121.621 120.500 -0.065 0.000 2.148 219 R HA -0.045 4.296 4.340 0.002 0.000 0.227 219 R C 2.495 178.784 176.300 -0.019 0.000 1.103 219 R CA 2.242 58.322 56.100 -0.034 0.000 0.983 219 R CB -0.233 30.052 30.300 -0.024 0.000 0.874 219 R HN 0.352 nan 8.270 nan 0.000 0.451 220 T N -3.912 110.635 114.554 -0.011 0.000 3.113 220 T HA 0.197 4.548 4.350 0.002 0.000 0.256 220 T C 1.308 175.997 174.700 -0.018 0.000 1.131 220 T CA 0.581 62.680 62.100 -0.002 0.000 1.074 220 T CB 0.610 69.490 68.868 0.020 0.000 0.944 220 T HN 0.417 nan 8.240 nan 0.000 0.516 221 G N 0.751 109.538 108.800 -0.022 0.000 2.195 221 G HA2 -0.165 3.796 3.960 0.002 0.000 0.224 221 G HA3 -0.165 3.796 3.960 0.002 0.000 0.224 221 G C 0.028 174.917 174.900 -0.019 0.000 0.990 221 G CA -0.012 45.077 45.100 -0.020 0.000 0.639 221 G HN 0.599 nan 8.290 nan 0.000 0.514 222 K N -0.648 119.732 120.400 -0.033 0.000 2.352 222 K HA 0.660 4.981 4.320 0.002 0.000 0.240 222 K C 0.961 177.506 176.600 -0.092 0.000 1.017 222 K CA -0.835 55.425 56.287 -0.044 0.000 0.851 222 K CB 1.616 34.088 32.500 -0.047 0.000 1.261 222 K HN 0.114 nan 8.250 nan 0.000 0.451 223 L N 0.456 121.609 121.223 -0.117 0.000 2.042 223 L HA 0.014 4.355 4.340 0.002 0.000 0.210 223 L C -0.149 176.360 176.870 -0.603 0.000 1.076 223 L CA 1.933 56.596 54.840 -0.294 0.000 0.749 223 L CB -0.003 41.944 42.059 -0.187 0.000 0.893 223 L HN 0.430 nan 8.230 nan 0.000 0.432 224 F N -2.671 117.267 119.950 -0.020 0.000 2.565 224 F HA 0.508 5.036 4.527 0.001 0.000 0.313 224 F C 1.050 176.846 175.800 -0.006 0.000 1.091 224 F CA -0.443 57.582 58.000 0.042 0.000 0.915 224 F CB 1.214 40.319 39.000 0.175 0.000 1.208 224 F HN -0.186 nan 8.300 nan 0.000 0.453 225 A N 2.350 125.350 122.820 0.300 0.000 1.948 225 A HA -0.262 4.059 4.320 0.002 0.000 0.220 225 A C 1.938 179.737 177.584 0.359 0.000 1.177 225 A CA 2.341 54.545 52.037 0.278 0.000 0.636 225 A CB -1.433 17.759 19.000 0.319 0.000 0.815 225 A HN 0.915 nan 8.150 nan 0.000 0.449 226 Y N 0.077 120.607 120.300 0.384 0.000 2.315 226 Y HA -0.184 4.367 4.550 0.001 0.000 0.288 226 Y C 1.983 178.091 175.900 0.347 0.000 1.154 226 Y CA 1.702 60.042 58.100 0.399 0.000 1.229 226 Y CB -0.817 37.944 38.460 0.502 0.000 0.980 226 Y HN 0.425 nan 8.280 nan 0.000 0.540 227 Q N 0.486 120.036 119.800 -0.416 0.000 2.230 227 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 227 Q C 2.033 178.007 176.000 -0.042 0.000 0.963 227 Q CA 1.026 56.653 55.803 -0.293 0.000 0.866 227 Q CB -0.018 28.512 28.738 -0.347 0.000 0.931 227 Q HN 0.413 nan 8.270 nan 0.000 0.452 228 K N -0.035 120.360 120.400 -0.009 0.000 2.103 228 K HA -0.106 4.215 4.320 0.002 0.000 0.204 228 K C 1.680 178.243 176.600 -0.062 0.000 1.052 228 K CA 1.224 57.474 56.287 -0.062 0.000 0.945 228 K CB -0.084 32.326 32.500 -0.149 0.000 0.722 228 K HN 0.303 nan 8.250 nan 0.000 0.443 229 Y N 0.356 120.699 120.300 0.071 0.000 2.457 229 Y HA 0.029 4.579 4.550 0.001 0.000 0.292 229 Y C 1.473 177.438 175.900 0.109 0.000 1.125 229 Y CA 0.905 59.061 58.100 0.093 0.000 1.254 229 Y CB -0.024 38.505 38.460 0.114 0.000 1.012 229 Y HN 0.324 nan 8.280 nan 0.000 0.555 230 G N 0.534 109.497 108.800 0.272 0.000 2.198 230 G HA2 -0.233 3.727 3.960 0.002 0.000 0.257 230 G HA3 -0.233 3.727 3.960 0.002 0.000 0.257 230 G C -0.572 174.475 174.900 0.245 0.000 1.042 230 G CA 0.308 45.540 45.100 0.221 0.000 0.791 230 G HN 0.154 nan 8.290 nan 0.000 0.502 231 V N 0.193 120.314 119.914 0.345 0.000 2.444 231 V HA 0.564 4.684 4.120 0.002 0.000 0.294 231 V C 0.359 176.614 176.094 0.269 0.000 1.022 231 V CA -0.914 61.542 62.300 0.260 0.000 0.850 231 V CB 2.029 34.012 31.823 0.267 0.000 0.992 231 V HN 0.286 nan 8.190 nan 0.000 0.426 232 V N 7.885 127.785 119.914 -0.024 0.000 2.383 232 V HA 0.417 4.538 4.120 0.002 0.000 0.275 232 V C -1.778 173.886 176.094 -0.716 0.000 1.036 232 V CA -1.415 60.670 62.300 -0.358 0.000 0.889 232 V CB 1.563 33.202 31.823 -0.307 0.000 0.985 232 V HN 0.737 nan 8.190 nan 0.000 0.459 233 P HA 0.304 nan 4.420 nan 0.000 0.278 233 P C -0.000 176.681 177.300 -1.030 0.000 1.266 233 P CA -0.387 62.020 63.100 -1.154 0.000 0.807 233 P CB 1.465 32.382 31.700 -1.305 0.000 1.094 234 D N -0.910 119.041 120.400 -0.749 0.000 2.194 234 D HA 0.031 4.672 4.640 0.002 0.000 0.204 234 D C 0.278 176.327 176.300 -0.418 0.000 0.964 234 D CA 1.341 54.993 54.000 -0.580 0.000 0.846 234 D CB 0.323 40.841 40.800 -0.469 0.000 0.962 234 D HN 0.092 nan 8.370 nan 0.000 0.490 235 V N 1.489 121.167 119.914 -0.395 0.000 2.638 235 V HA 0.353 4.474 4.120 0.002 0.000 0.306 235 V C -0.764 175.224 176.094 -0.176 0.000 1.052 235 V CA -0.949 61.227 62.300 -0.206 0.000 0.885 235 V CB 2.660 34.327 31.823 -0.260 0.000 0.999 235 V HN -0.062 nan 8.190 nan 0.000 0.424 236 L N 4.665 125.875 121.223 -0.021 0.000 2.385 236 L HA 0.900 5.241 4.340 0.002 0.000 0.273 236 L C 0.114 176.978 176.870 -0.011 0.000 0.990 236 L CA 0.234 55.062 54.840 -0.019 0.000 0.821 236 L CB 2.311 44.353 42.059 -0.028 0.000 1.279 236 L HN 0.889 nan 8.230 nan 0.000 0.412 237 T N 0.619 115.207 114.554 0.057 0.000 2.888 237 T HA 0.780 5.131 4.350 0.002 0.000 0.284 237 T C -0.240 174.563 174.700 0.171 0.000 1.017 237 T CA -0.560 61.606 62.100 0.111 0.000 1.022 237 T CB 1.672 70.635 68.868 0.157 0.000 1.013 237 T HN 0.784 nan 8.240 nan 0.000 0.465 238 T N -0.055 114.614 114.554 0.192 0.000 2.923 238 T HA 0.756 5.106 4.350 0.002 0.000 0.311 238 T C -0.638 174.196 174.700 0.224 0.000 1.183 238 T CA 0.282 62.543 62.100 0.269 0.000 1.020 238 T CB 1.230 70.317 68.868 0.366 0.000 1.165 238 T HN 1.378 nan 8.240 nan 0.000 0.482 239 A N 3.067 126.013 122.820 0.209 0.000 4.978 239 A HA 0.717 5.038 4.320 0.002 0.000 0.137 239 A C 0.499 178.161 177.584 0.130 0.000 0.956 239 A CA 0.483 52.620 52.037 0.166 0.000 1.577 239 A CB -0.468 18.629 19.000 0.161 0.000 2.444 239 A HN 0.955 nan 8.150 nan 0.000 1.089 240 K N -1.668 118.794 120.400 0.104 0.000 3.138 240 K HA -0.327 3.994 4.320 0.002 0.000 0.187 240 K C 1.421 178.044 176.600 0.039 0.000 0.767 240 K CA 2.115 58.442 56.287 0.067 0.000 0.521 240 K CB -1.635 30.907 32.500 0.069 0.000 0.757 240 K HN 1.268 nan 8.250 nan 0.000 0.792 241 G N 0.924 109.738 108.800 0.024 0.000 2.559 241 G HA2 -0.142 3.819 3.960 0.002 0.000 0.216 241 G HA3 -0.142 3.819 3.960 0.002 0.000 0.216 241 G C 1.245 176.137 174.900 -0.013 0.000 1.126 241 G CA 0.876 45.967 45.100 -0.016 0.000 0.778 241 G HN 0.289 nan 8.290 nan 0.000 0.543 242 L N 1.478 122.721 121.223 0.033 0.000 2.051 242 L HA -0.021 4.320 4.340 0.002 0.000 0.214 242 L C 2.391 179.271 176.870 0.018 0.000 1.076 242 L CA 2.343 57.214 54.840 0.052 0.000 0.758 242 L CB -0.626 41.508 42.059 0.125 0.000 0.890 242 L HN 0.133 nan 8.230 nan 0.000 0.433 243 G N -2.680 106.125 108.800 0.009 0.000 3.126 243 G HA2 0.308 4.269 3.960 0.002 0.000 0.224 243 G HA3 0.308 4.269 3.960 0.002 0.000 0.224 243 G C 1.099 175.979 174.900 -0.034 0.000 1.142 243 G CA 0.268 45.360 45.100 -0.013 0.000 0.759 243 G HN 0.826 nan 8.290 nan 0.000 0.550 244 G N -0.542 108.231 108.800 -0.045 0.000 2.233 244 G HA2 0.145 4.106 3.960 0.002 0.000 0.270 244 G HA3 0.145 4.106 3.960 0.002 0.000 0.270 244 G C 1.166 176.037 174.900 -0.048 0.000 1.011 244 G CA 1.362 46.425 45.100 -0.063 0.000 0.762 244 G HN 1.803 nan 8.290 nan 0.000 0.511 245 G N -3.218 105.563 108.800 -0.031 0.000 2.705 245 G HA2 0.072 4.033 3.960 0.002 0.000 0.193 245 G HA3 0.072 4.033 3.960 0.002 0.000 0.193 245 G C 0.267 175.160 174.900 -0.012 0.000 1.015 245 G CA 0.192 45.282 45.100 -0.017 0.000 0.743 245 G HN 1.418 nan 8.290 nan 0.000 0.476 246 V N 3.179 123.082 119.914 -0.018 0.000 2.498 246 V HA 0.465 4.586 4.120 0.002 0.000 0.279 246 V C -1.785 174.299 176.094 -0.018 0.000 1.048 246 V CA -1.248 61.037 62.300 -0.025 0.000 0.967 246 V CB 1.279 33.082 31.823 -0.034 0.000 0.988 246 V HN 0.153 nan 8.190 nan 0.000 0.473 247 P HA 0.424 nan 4.420 nan 0.000 0.267 247 P C -0.549 176.755 177.300 0.007 0.000 1.209 247 P CA 0.321 63.418 63.100 -0.004 0.000 0.763 247 P CB 0.503 32.189 31.700 -0.023 0.000 0.816 248 I N 1.702 122.300 120.570 0.046 0.000 2.800 248 I HA 0.678 4.849 4.170 0.002 0.000 0.294 248 I C -1.127 175.067 176.117 0.129 0.000 1.538 248 I CA -0.405 60.941 61.300 0.078 0.000 1.010 248 I CB 1.986 40.019 38.000 0.054 0.000 1.381 248 I HN 0.512 nan 8.210 nan 0.000 0.462 249 G N 4.018 112.923 108.800 0.177 0.000 2.672 249 G HA2 0.924 4.885 3.960 0.002 0.000 0.292 249 G HA3 0.924 4.885 3.960 0.002 0.000 0.292 249 G C -2.005 173.034 174.900 0.232 0.000 1.375 249 G CA -0.244 44.975 45.100 0.198 0.000 0.890 249 G HN 0.993 nan 8.290 nan 0.000 0.476 250 A N -0.809 122.121 122.820 0.184 0.000 2.594 250 A HA 0.818 5.138 4.320 0.002 0.000 0.295 250 A C -1.575 176.054 177.584 0.075 0.000 1.071 250 A CA -0.553 51.530 52.037 0.077 0.000 0.685 250 A CB 1.900 20.896 19.000 -0.008 0.000 1.285 250 A HN 2.001 nan 8.150 nan 0.000 0.405 251 V N 2.271 122.212 119.914 0.045 0.000 2.604 251 V HA 0.791 4.911 4.120 0.002 0.000 0.305 251 V C -1.300 174.764 176.094 -0.049 0.000 1.043 251 V CA -0.663 61.660 62.300 0.039 0.000 0.888 251 V CB 1.375 33.259 31.823 0.101 0.000 0.995 251 V HN 0.716 nan 8.190 nan 0.000 0.429 252 I N 6.920 127.441 120.570 -0.082 0.000 2.465 252 I HA 0.648 4.819 4.170 0.002 0.000 0.291 252 I C -0.442 175.656 176.117 -0.031 0.000 1.014 252 I CA -0.856 60.353 61.300 -0.152 0.000 1.093 252 I CB 2.047 39.844 38.000 -0.339 0.000 1.267 252 I HN 0.603 nan 8.210 nan 0.000 0.431 253 V N 2.365 122.272 119.914 -0.010 0.000 2.769 253 V HA 0.658 4.779 4.120 0.002 0.000 0.312 253 V C -0.420 175.768 176.094 0.157 0.000 1.061 253 V CA -0.797 61.546 62.300 0.072 0.000 0.931 253 V CB 1.634 33.454 31.823 -0.006 0.000 1.010 253 V HN 0.826 nan 8.190 nan 0.000 0.433 254 N N 1.576 120.394 118.700 0.197 0.000 2.327 254 N HA 0.168 4.909 4.740 0.002 0.000 0.257 254 N C 0.694 176.221 175.510 0.028 0.000 1.281 254 N CA 0.063 53.190 53.050 0.128 0.000 0.942 254 N CB 0.454 38.948 38.487 0.013 0.000 1.199 254 N HN 0.827 nan 8.380 nan 0.000 0.532 255 E N -0.437 119.775 120.200 0.020 0.000 2.150 255 E HA -0.130 4.221 4.350 0.002 0.000 0.193 255 E C 1.853 178.459 176.600 0.010 0.000 0.985 255 E CA 0.940 57.349 56.400 0.016 0.000 0.814 255 E CB -0.144 29.567 29.700 0.018 0.000 0.752 255 E HN 0.625 nan 8.360 nan 0.000 0.466 256 R N -0.208 120.282 120.500 -0.017 0.000 2.103 256 R HA -0.126 4.215 4.340 0.002 0.000 0.242 256 R C 1.620 177.911 176.300 -0.014 0.000 1.142 256 R CA 1.646 57.742 56.100 -0.006 0.000 0.960 256 R CB -0.325 29.920 30.300 -0.092 0.000 0.858 256 R HN 0.187 nan 8.270 nan 0.000 0.439 257 A N 0.359 123.114 122.820 -0.108 0.000 2.275 257 A HA 0.023 4.344 4.320 0.002 0.000 0.212 257 A C 0.484 178.054 177.584 -0.023 0.000 1.201 257 A CA -0.130 51.830 52.037 -0.128 0.000 0.843 257 A CB -0.183 18.690 19.000 -0.212 0.000 0.873 257 A HN 0.340 nan 8.150 nan 0.000 0.492 258 N N 0.926 119.633 118.700 0.012 0.000 2.968 258 N HA 0.184 4.924 4.740 0.002 0.000 0.271 258 N C 0.673 176.206 175.510 0.038 0.000 1.174 258 N CA 0.499 53.562 53.050 0.022 0.000 1.096 258 N CB 0.418 38.920 38.487 0.026 0.000 1.403 258 N HN 0.202 nan 8.380 nan 0.000 0.522 259 V N -0.346 119.591 119.914 0.038 0.000 3.605 259 V HA 0.362 4.483 4.120 0.002 0.000 0.284 259 V C 0.745 176.850 176.094 0.018 0.000 1.386 259 V CA -0.084 62.243 62.300 0.046 0.000 1.053 259 V CB -0.503 31.374 31.823 0.090 0.000 0.857 259 V HN 0.182 nan 8.190 nan 0.000 0.436 260 L N 2.671 123.895 121.223 0.003 0.000 2.417 260 L HA 0.514 4.855 4.340 0.002 0.000 0.268 260 L C 0.402 177.279 176.870 0.011 0.000 1.158 260 L CA 0.152 54.987 54.840 -0.009 0.000 0.819 260 L CB 0.888 42.922 42.059 -0.040 0.000 1.112 260 L HN 0.570 nan 8.230 nan 0.000 0.458 261 E N 2.657 122.863 120.200 0.010 0.000 2.339 261 E HA 0.558 4.909 4.350 0.002 0.000 0.262 261 E C -2.714 173.896 176.600 0.016 0.000 0.934 261 E CA -2.544 53.866 56.400 0.017 0.000 0.802 261 E CB 1.224 30.931 29.700 0.012 0.000 1.275 261 E HN 0.222 nan 8.360 nan 0.000 0.427 262 P HA 0.064 nan 4.420 nan 0.000 0.261 262 P C 0.494 177.794 177.300 0.000 0.000 1.183 262 P CA 1.613 64.718 63.100 0.008 0.000 0.761 262 P CB 0.569 32.272 31.700 0.005 0.000 0.785 263 G N 3.140 111.938 108.800 -0.003 0.000 2.234 263 G HA2 -0.251 3.710 3.960 0.002 0.000 0.235 263 G HA3 -0.251 3.710 3.960 0.002 0.000 0.235 263 G C 1.039 175.942 174.900 0.006 0.000 0.997 263 G CA 0.232 45.328 45.100 -0.006 0.000 0.623 263 G HN 0.443 nan 8.290 nan 0.000 0.514 264 D N -0.081 120.328 120.400 0.015 0.000 2.178 264 D HA 0.159 4.800 4.640 0.002 0.000 0.202 264 D C 0.946 177.294 176.300 0.080 0.000 0.974 264 D CA 1.834 55.849 54.000 0.025 0.000 0.841 264 D CB 0.083 40.887 40.800 0.007 0.000 0.953 264 D HN 0.670 nan 8.370 nan 0.000 0.478 265 H N -2.221 116.802 119.070 -0.079 0.000 3.037 265 H HA 0.566 5.123 4.556 0.002 0.000 0.336 265 H C -0.421 174.897 175.328 -0.015 0.000 1.323 265 H CA -0.003 55.980 56.048 -0.108 0.000 1.159 265 H CB 1.415 31.008 29.762 -0.282 0.000 1.882 265 H HN 0.043 nan 8.280 nan 0.000 0.535 266 G N 0.136 108.624 108.800 -0.520 0.000 2.349 266 G HA2 0.472 4.433 3.960 0.002 0.000 0.294 266 G HA3 0.472 4.433 3.960 0.002 0.000 0.294 266 G C -1.539 173.284 174.900 -0.128 0.000 1.380 266 G CA -0.049 44.993 45.100 -0.096 0.000 0.811 266 G HN 0.755 nan 8.290 nan 0.000 0.519 267 T N -1.854 112.693 114.554 -0.012 0.000 3.047 267 T HA 0.536 4.887 4.350 0.002 0.000 0.340 267 T C 1.059 175.735 174.700 -0.040 0.000 1.421 267 T CA 0.764 62.853 62.100 -0.018 0.000 1.090 267 T CB 1.349 70.253 68.868 0.060 0.000 1.292 267 T HN 0.624 nan 8.240 nan 0.000 0.480 268 T N 2.959 117.449 114.554 -0.106 0.000 2.701 268 T HA 0.063 4.414 4.350 0.002 0.000 0.263 268 T C 1.274 175.992 174.700 0.031 0.000 1.040 268 T CA 1.479 63.489 62.100 -0.149 0.000 1.147 268 T CB -0.318 68.285 68.868 -0.443 0.000 0.865 268 T HN 0.581 nan 8.240 nan 0.000 0.426 269 F N 1.433 121.417 119.950 0.056 0.000 2.473 269 F HA 0.334 4.862 4.527 0.001 0.000 0.294 269 F C 1.895 177.721 175.800 0.044 0.000 1.103 269 F CA -0.983 57.051 58.000 0.057 0.000 1.442 269 F CB -0.975 38.016 39.000 -0.016 0.000 1.097 269 F HN 0.089 nan 8.300 nan 0.000 0.547 270 G N -0.474 108.436 108.800 0.183 0.000 2.340 270 G HA2 0.362 4.323 3.960 0.002 0.000 0.245 270 G HA3 0.362 4.323 3.960 0.002 0.000 0.245 270 G C 1.106 176.007 174.900 0.001 0.000 1.294 270 G CA 0.264 45.402 45.100 0.064 0.000 0.896 270 G HN 0.715 nan 8.290 nan 0.000 0.522 271 G N 1.627 110.393 108.800 -0.056 0.000 2.157 271 G HA2 -0.285 3.676 3.960 0.002 0.000 0.248 271 G HA3 -0.285 3.676 3.960 0.002 0.000 0.248 271 G C 0.429 175.231 174.900 -0.164 0.000 0.979 271 G CA 0.284 45.258 45.100 -0.210 0.000 0.650 271 G HN 1.450 nan 8.290 nan 0.000 0.529 272 N N 0.525 119.195 118.700 -0.050 0.000 2.441 272 N HA 0.442 5.183 4.740 0.002 0.000 0.251 272 N C -0.716 174.759 175.510 -0.058 0.000 1.242 272 N CA -0.733 52.330 53.050 0.021 0.000 0.898 272 N CB 0.974 39.568 38.487 0.177 0.000 1.100 272 N HN 0.091 nan 8.380 nan 0.000 0.443 273 P HA -0.161 nan 4.420 nan 0.000 0.218 273 P C 1.329 178.600 177.300 -0.049 0.000 1.149 273 P CA 0.588 63.660 63.100 -0.046 0.000 0.817 273 P CB 0.111 31.801 31.700 -0.017 0.000 0.785 274 L N 0.216 121.422 121.223 -0.029 0.000 2.005 274 L HA -0.017 4.324 4.340 0.002 0.000 0.207 274 L C 2.477 179.313 176.870 -0.058 0.000 1.072 274 L CA 2.119 56.938 54.840 -0.035 0.000 0.744 274 L CB -1.612 40.433 42.059 -0.024 0.000 0.895 274 L HN -0.101 nan 8.230 nan 0.000 0.433 275 A N -1.369 121.407 122.820 -0.072 0.000 1.902 275 A HA -0.233 4.088 4.320 0.002 0.000 0.217 275 A C 2.377 179.889 177.584 -0.121 0.000 1.181 275 A CA 1.847 53.833 52.037 -0.086 0.000 0.623 275 A CB -1.494 17.455 19.000 -0.085 0.000 0.818 275 A HN 0.632 nan 8.150 nan 0.000 0.443 276 C N -1.334 117.853 119.300 -0.188 0.000 2.422 276 C HA -0.018 4.443 4.460 0.002 0.000 0.279 276 C C 2.766 177.676 174.990 -0.133 0.000 1.305 276 C CA 1.255 60.123 59.018 -0.250 0.000 1.757 276 C CB -1.260 26.247 27.740 -0.387 0.000 1.962 276 C HN 0.723 nan 8.230 nan 0.000 0.499 277 R N 1.862 122.306 120.500 -0.094 0.000 2.081 277 R HA -0.071 4.270 4.340 0.002 0.000 0.235 277 R C 2.131 178.399 176.300 -0.052 0.000 1.131 277 R CA 2.054 58.118 56.100 -0.059 0.000 0.960 277 R CB -0.690 29.584 30.300 -0.043 0.000 0.856 277 R HN 0.435 nan 8.270 nan 0.000 0.436 278 A N -0.394 122.393 122.820 -0.055 0.000 1.877 278 A HA -0.042 4.279 4.320 0.002 0.000 0.216 278 A C 2.415 179.968 177.584 -0.052 0.000 1.186 278 A CA 1.731 53.739 52.037 -0.049 0.000 0.620 278 A CB -1.490 17.484 19.000 -0.044 0.000 0.822 278 A HN 0.537 nan 8.150 nan 0.000 0.443 279 G N -0.628 108.143 108.800 -0.048 0.000 2.422 279 G HA2 -0.119 3.842 3.960 0.002 0.000 0.218 279 G HA3 -0.119 3.842 3.960 0.002 0.000 0.218 279 G C 1.507 176.392 174.900 -0.026 0.000 1.146 279 G CA 1.234 46.320 45.100 -0.025 0.000 0.769 279 G HN 0.324 nan 8.290 nan 0.000 0.547 280 V N 1.050 120.945 119.914 -0.033 0.000 2.287 280 V HA -0.205 3.916 4.120 0.002 0.000 0.248 280 V C 3.171 179.237 176.094 -0.048 0.000 1.053 280 V CA 2.413 64.697 62.300 -0.027 0.000 1.027 280 V CB -0.942 30.866 31.823 -0.025 0.000 0.646 280 V HN 0.405 nan 8.190 nan 0.000 0.447 281 T N -0.180 114.340 114.554 -0.057 0.000 2.746 281 T HA -0.154 4.197 4.350 0.002 0.000 0.267 281 T C 1.943 176.569 174.700 -0.124 0.000 1.039 281 T CA 1.606 63.661 62.100 -0.075 0.000 1.142 281 T CB -0.235 68.596 68.868 -0.061 0.000 0.866 281 T HN 0.276 nan 8.240 nan 0.000 0.444 282 V N 1.313 121.150 119.914 -0.127 0.000 2.261 282 V HA -0.112 4.009 4.120 0.002 0.000 0.246 282 V C 2.304 178.281 176.094 -0.194 0.000 1.047 282 V CA 1.468 63.662 62.300 -0.176 0.000 1.015 282 V CB -0.522 31.220 31.823 -0.134 0.000 0.642 282 V HN 0.438 nan 8.190 nan 0.000 0.446 283 I N -0.664 119.832 120.570 -0.123 0.000 2.394 283 I HA -0.232 3.938 4.170 0.002 0.000 0.251 283 I C 2.519 178.558 176.117 -0.131 0.000 1.136 283 I CA 1.538 62.771 61.300 -0.111 0.000 1.425 283 I CB -0.114 37.868 38.000 -0.030 0.000 1.079 283 I HN 0.275 nan 8.210 nan 0.000 0.425 284 K N 0.118 120.448 120.400 -0.116 0.000 2.097 284 K HA -0.241 4.080 4.320 0.002 0.000 0.205 284 K C 1.991 178.491 176.600 -0.167 0.000 1.050 284 K CA 1.532 57.755 56.287 -0.106 0.000 0.938 284 K CB -0.091 32.366 32.500 -0.072 0.000 0.718 284 K HN 0.205 nan 8.250 nan 0.000 0.442 285 E N 1.265 121.315 120.200 -0.249 0.000 2.072 285 E HA -0.098 4.253 4.350 0.002 0.000 0.191 285 E C 1.757 177.949 176.600 -0.681 0.000 0.985 285 E CA 0.990 57.160 56.400 -0.384 0.000 0.801 285 E CB -0.062 29.366 29.700 -0.453 0.000 0.750 285 E HN 0.170 nan 8.360 nan 0.000 0.452 286 L N 0.132 120.947 121.223 -0.681 0.000 2.201 286 L HA -0.071 4.270 4.340 0.002 0.000 0.212 286 L C 2.124 178.790 176.870 -0.340 0.000 1.105 286 L CA 1.580 55.956 54.840 -0.773 0.000 0.775 286 L CB -0.517 41.275 42.059 -0.445 0.000 0.913 286 L HN 0.299 nan 8.230 nan 0.000 0.440 287 T N -4.057 110.371 114.554 -0.209 0.000 3.144 287 T HA 0.081 4.432 4.350 0.002 0.000 0.249 287 T C 0.725 175.405 174.700 -0.033 0.000 1.089 287 T CA -0.350 61.703 62.100 -0.079 0.000 0.989 287 T CB -0.117 68.720 68.868 -0.052 0.000 0.992 287 T HN 0.067 nan 8.240 nan 0.000 0.540 288 K N 2.338 122.713 120.400 -0.042 0.000 2.436 288 K HA 0.090 4.411 4.320 0.002 0.000 0.275 288 K C 0.390 177.033 176.600 0.072 0.000 0.999 288 K CA -0.109 56.191 56.287 0.022 0.000 0.980 288 K CB 0.485 33.014 32.500 0.047 0.000 0.919 288 K HN 0.429 nan 8.250 nan 0.000 0.484 289 E N 0.851 121.085 120.200 0.056 0.000 2.652 289 E HA -0.154 4.197 4.350 0.002 0.000 0.255 289 E C 0.772 177.418 176.600 0.076 0.000 0.952 289 E CA 1.027 57.461 56.400 0.056 0.000 0.947 289 E CB 0.038 29.761 29.700 0.039 0.000 0.912 289 E HN 0.781 nan 8.360 nan 0.000 0.489 290 G N 4.115 112.958 108.800 0.071 0.000 2.225 290 G HA2 -0.369 3.591 3.960 0.002 0.000 0.254 290 G HA3 -0.369 3.591 3.960 0.002 0.000 0.254 290 G C 0.464 175.402 174.900 0.064 0.000 0.988 290 G CA 0.290 45.422 45.100 0.054 0.000 0.625 290 G HN 0.641 nan 8.290 nan 0.000 0.527 291 F N 1.243 121.180 119.950 -0.022 0.000 2.051 291 F HA 0.187 4.715 4.527 0.001 0.000 0.296 291 F C 2.601 178.374 175.800 -0.045 0.000 1.122 291 F CA 2.351 60.329 58.000 -0.035 0.000 1.201 291 F CB -0.360 38.614 39.000 -0.044 0.000 0.978 291 F HN 0.178 nan 8.300 nan 0.000 0.472 292 L N -0.133 121.247 121.223 0.261 0.000 2.141 292 L HA -0.183 4.158 4.340 0.002 0.000 0.209 292 L C 2.220 179.098 176.870 0.013 0.000 1.094 292 L CA 1.290 56.209 54.840 0.133 0.000 0.763 292 L CB -0.717 41.404 42.059 0.102 0.000 0.908 292 L HN 0.108 nan 8.230 nan 0.000 0.437 293 E N -0.039 120.167 120.200 0.009 0.000 2.118 293 E HA -0.261 4.090 4.350 0.002 0.000 0.195 293 E C 2.019 178.592 176.600 -0.044 0.000 0.992 293 E CA 1.093 57.487 56.400 -0.011 0.000 0.804 293 E CB -0.061 29.640 29.700 0.002 0.000 0.741 293 E HN 0.303 nan 8.360 nan 0.000 0.458 294 E N 0.088 120.229 120.200 -0.099 0.000 2.152 294 E HA -0.088 4.263 4.350 0.002 0.000 0.192 294 E C 1.805 178.286 176.600 -0.199 0.000 0.983 294 E CA 0.537 56.848 56.400 -0.148 0.000 0.818 294 E CB -0.018 29.550 29.700 -0.220 0.000 0.758 294 E HN 0.085 nan 8.360 nan 0.000 0.467 295 V N 0.958 120.737 119.914 -0.224 0.000 2.332 295 V HA -0.267 3.854 4.120 0.002 0.000 0.248 295 V C 2.422 178.460 176.094 -0.093 0.000 1.055 295 V CA 2.261 64.455 62.300 -0.177 0.000 1.038 295 V CB -0.595 31.166 31.823 -0.103 0.000 0.651 295 V HN 0.417 nan 8.190 nan 0.000 0.450 296 E N -0.067 120.100 120.200 -0.054 0.000 2.058 296 E HA -0.256 4.095 4.350 0.002 0.000 0.194 296 E C 2.215 178.819 176.600 0.006 0.000 0.997 296 E CA 1.451 57.840 56.400 -0.020 0.000 0.801 296 E CB -0.046 29.647 29.700 -0.012 0.000 0.746 296 E HN 0.572 nan 8.360 nan 0.000 0.450 297 E N 0.865 121.071 120.200 0.010 0.000 2.085 297 E HA -0.196 4.155 4.350 0.002 0.000 0.194 297 E C 2.027 178.699 176.600 0.121 0.000 0.994 297 E CA 1.148 57.593 56.400 0.075 0.000 0.801 297 E CB -0.177 29.579 29.700 0.093 0.000 0.743 297 E HN 0.323 nan 8.360 nan 0.000 0.453 298 K N 0.014 120.407 120.400 -0.013 0.000 2.057 298 K HA -0.075 4.246 4.320 0.002 0.000 0.207 298 K C 2.259 178.899 176.600 0.068 0.000 1.049 298 K CA 1.144 57.375 56.287 -0.094 0.000 0.931 298 K CB -0.400 31.880 32.500 -0.367 0.000 0.714 298 K HN 0.168 nan 8.250 nan 0.000 0.440 299 G N 1.780 110.597 108.800 0.028 0.000 2.440 299 G HA2 -0.291 3.670 3.960 0.002 0.000 0.218 299 G HA3 -0.291 3.670 3.960 0.002 0.000 0.218 299 G C 1.322 176.280 174.900 0.098 0.000 1.154 299 G CA 1.023 46.155 45.100 0.054 0.000 0.767 299 G HN 0.208 nan 8.290 nan 0.000 0.552 300 N N -0.403 118.361 118.700 0.108 0.000 2.120 300 N HA -0.107 4.634 4.740 0.002 0.000 0.188 300 N C 1.781 177.392 175.510 0.169 0.000 1.024 300 N CA 1.074 54.192 53.050 0.112 0.000 0.852 300 N CB -0.571 37.976 38.487 0.100 0.000 1.003 300 N HN 0.510 nan 8.380 nan 0.000 0.424 301 Y N 1.367 121.726 120.300 0.099 0.000 2.114 301 Y HA -0.102 4.449 4.550 0.001 0.000 0.284 301 Y C 1.233 177.202 175.900 0.115 0.000 1.143 301 Y CA 0.690 58.871 58.100 0.134 0.000 1.135 301 Y CB -0.477 38.146 38.460 0.271 0.000 0.980 301 Y HN 0.026 nan 8.280 nan 0.000 0.499 305 K N 1.164 121.506 120.400 -0.097 0.000 2.057 305 K HA 0.155 4.476 4.320 0.002 0.000 0.207 305 K C 2.094 178.658 176.600 -0.060 0.000 1.049 305 K CA 1.952 58.181 56.287 -0.096 0.000 0.931 305 K CB -0.221 32.203 32.500 -0.127 0.000 0.714 305 K HN 0.283 nan 8.250 nan 0.000 0.440 306 L N 0.853 122.037 121.223 -0.064 0.000 2.156 306 L HA -0.160 4.181 4.340 0.002 0.000 0.208 306 L C 2.548 179.372 176.870 -0.076 0.000 1.095 306 L CA 0.775 55.556 54.840 -0.099 0.000 0.770 306 L CB -0.299 41.670 42.059 -0.150 0.000 0.914 306 L HN 0.204 nan 8.230 nan 0.000 0.439 307 Q N 0.458 120.227 119.800 -0.052 0.000 2.084 307 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 307 Q C 0.765 176.757 176.000 -0.013 0.000 0.978 307 Q CA 0.931 56.714 55.803 -0.033 0.000 0.844 307 Q CB -0.156 28.568 28.738 -0.024 0.000 0.898 307 Q HN 0.590 nan 8.270 nan 0.000 0.426 311 E N 0.857 121.088 120.200 0.051 0.000 2.072 311 E HA -0.149 4.202 4.350 0.002 0.000 0.191 311 E C 1.591 178.217 176.600 0.043 0.000 0.985 311 E CA 1.719 58.141 56.400 0.037 0.000 0.801 311 E CB -0.229 29.484 29.700 0.020 0.000 0.750 311 E HN 0.446 nan 8.360 nan 0.000 0.452 312 E N -1.169 119.078 120.200 0.079 0.000 2.158 312 E HA -0.044 4.307 4.350 0.002 0.000 0.191 312 E C -0.216 176.331 176.600 -0.088 0.000 0.982 312 E CA 0.395 56.798 56.400 0.005 0.000 0.823 312 E CB -0.123 29.603 29.700 0.043 0.000 0.766 312 E HN 0.615 nan 8.360 nan 0.000 0.468 313 Y N 1.371 121.679 120.300 0.012 0.000 2.369 313 Y HA 0.316 4.867 4.550 0.001 0.000 0.337 313 Y C 0.875 176.794 175.900 0.032 0.000 0.961 313 Y CA -1.000 57.117 58.100 0.028 0.000 1.186 313 Y CB 1.442 39.930 38.460 0.047 0.000 1.139 313 Y HN 0.049 nan 8.280 nan 0.000 0.494 314 D N 1.568 122.028 120.400 0.100 0.000 2.218 314 D HA -0.150 4.491 4.640 0.002 0.000 0.204 314 D C 2.132 178.502 176.300 0.117 0.000 0.976 314 D CA 1.342 55.390 54.000 0.080 0.000 0.853 314 D CB 0.073 40.896 40.800 0.039 0.000 0.939 314 D HN 0.494 nan 8.370 nan 0.000 0.481 315 V N -1.543 118.476 119.914 0.174 0.000 3.141 315 V HA -0.009 4.112 4.120 0.002 0.000 0.265 315 V C 0.979 177.233 176.094 0.266 0.000 1.126 315 V CA 0.238 62.659 62.300 0.202 0.000 1.141 315 V CB -0.581 31.362 31.823 0.201 0.000 0.743 315 V HN -0.160 nan 8.190 nan 0.000 0.492 316 V N 1.459 121.499 119.914 0.209 0.000 2.368 316 V HA 0.649 4.770 4.120 0.002 0.000 0.266 316 V C 1.446 177.544 176.094 0.008 0.000 1.045 316 V CA 0.548 62.894 62.300 0.076 0.000 0.899 316 V CB 0.270 32.112 31.823 0.032 0.000 1.006 316 V HN 0.444 nan 8.190 nan 0.000 0.470 317 A N 3.814 126.609 122.820 -0.043 0.000 1.935 317 A HA 0.177 4.498 4.320 0.002 0.000 0.214 317 A C 0.737 178.285 177.584 -0.061 0.000 1.178 317 A CA 0.945 52.963 52.037 -0.032 0.000 0.640 317 A CB 0.053 19.040 19.000 -0.022 0.000 0.825 317 A HN 0.739 nan 8.150 nan 0.000 0.447 318 D N -2.361 117.968 120.400 -0.118 0.000 2.663 318 D HA 0.423 5.064 4.640 0.002 0.000 0.233 318 D C -1.422 174.784 176.300 -0.156 0.000 1.240 318 D CA 0.205 54.142 54.000 -0.106 0.000 0.774 318 D CB 2.098 42.852 40.800 -0.078 0.000 1.443 318 D HN 0.511 nan 8.370 nan 0.000 0.441 319 V N 0.277 120.120 119.914 -0.119 0.000 2.638 319 V HA 0.963 5.084 4.120 0.002 0.000 0.306 319 V C -0.860 175.186 176.094 -0.080 0.000 1.052 319 V CA -0.749 61.471 62.300 -0.134 0.000 0.885 319 V CB 1.633 33.367 31.823 -0.148 0.000 0.999 319 V HN 0.793 nan 8.190 nan 0.000 0.424 320 R N 2.858 123.316 120.500 -0.070 0.000 2.734 320 R HA 1.007 5.347 4.340 0.002 0.000 0.271 320 R C -0.111 176.182 176.300 -0.012 0.000 1.021 320 R CA -0.356 55.727 56.100 -0.028 0.000 0.893 320 R CB 1.855 32.148 30.300 -0.011 0.000 1.244 320 R HN 2.141 nan 8.270 nan 0.000 0.464 327 G N 5.766 114.542 108.800 -0.041 0.000 2.416 327 G HA2 0.850 4.811 3.960 0.002 0.000 0.329 327 G HA3 0.850 4.811 3.960 0.002 0.000 0.329 327 G C -1.115 173.680 174.900 -0.174 0.000 1.173 327 G CA -0.483 44.571 45.100 -0.076 0.000 0.929 327 G HN 0.429 nan 8.290 nan 0.000 0.475 328 I N 1.091 121.505 120.570 -0.260 0.000 2.410 328 I HA 0.286 4.457 4.170 0.002 0.000 0.286 328 I C 0.042 175.793 176.117 -0.610 0.000 1.009 328 I CA -0.481 60.553 61.300 -0.443 0.000 1.111 328 I CB 2.057 39.736 38.000 -0.535 0.000 1.262 328 I HN 0.404 nan 8.210 nan 0.000 0.443 329 Q N 5.766 125.246 119.800 -0.532 0.000 2.256 329 Q HA 0.536 4.877 4.340 0.002 0.000 0.257 329 Q C -1.546 174.104 176.000 -0.584 0.000 0.936 329 Q CA -0.552 54.983 55.803 -0.446 0.000 0.903 329 Q CB 1.319 29.941 28.738 -0.193 0.000 1.263 329 Q HN 0.446 nan 8.270 nan 0.000 0.440 330 F N 1.590 121.535 119.950 -0.008 0.000 2.432 330 F HA 0.482 5.010 4.527 0.002 0.000 0.329 330 F C 0.693 176.495 175.800 0.005 0.000 1.076 330 F CA -0.957 57.043 58.000 -0.000 0.000 1.018 330 F CB 0.820 39.823 39.000 0.005 0.000 1.201 330 F HN 0.396 nan 8.300 nan 0.000 0.489 331 R N 1.108 121.728 120.500 0.200 0.000 2.756 331 R HA -0.053 4.288 4.340 0.002 0.000 0.264 331 R C 1.302 177.669 176.300 0.112 0.000 1.026 331 R CA 0.068 56.239 56.100 0.117 0.000 1.121 331 R CB 0.120 30.479 30.300 0.098 0.000 0.999 331 R HN 0.847 nan 8.270 nan 0.000 0.449 332 E N 1.831 122.073 120.200 0.070 0.000 2.160 332 E HA -0.238 4.112 4.350 0.002 0.000 0.195 332 E C 0.982 177.609 176.600 0.045 0.000 0.991 332 E CA 1.790 58.222 56.400 0.053 0.000 0.810 332 E CB 0.260 29.979 29.700 0.033 0.000 0.742 332 E HN 0.593 nan 8.360 nan 0.000 0.466 333 E N -0.493 119.732 120.200 0.042 0.000 2.333 333 E HA -0.067 4.284 4.350 0.002 0.000 0.198 333 E C 0.271 176.883 176.600 0.020 0.000 1.007 333 E CA 0.451 56.867 56.400 0.028 0.000 0.845 333 E CB 0.118 29.835 29.700 0.027 0.000 0.766 333 E HN -0.039 nan 8.360 nan 0.000 0.507 334 V N 1.253 121.185 119.914 0.030 0.000 2.398 334 V HA 0.199 4.320 4.120 0.002 0.000 0.286 334 V C -0.156 175.928 176.094 -0.016 0.000 1.026 334 V CA -0.908 61.382 62.300 -0.017 0.000 0.868 334 V CB 1.728 33.523 31.823 -0.046 0.000 0.982 334 V HN 0.128 nan 8.190 nan 0.000 0.443 335 S N 4.095 119.766 115.700 -0.048 0.000 2.474 335 S HA 0.091 4.562 4.470 0.002 0.000 0.276 335 S C 1.526 176.089 174.600 -0.062 0.000 1.227 335 S CA -0.457 57.727 58.200 -0.026 0.000 1.050 335 S CB 0.331 63.517 63.200 -0.024 0.000 0.939 335 S HN 0.909 nan 8.310 nan 0.000 0.490 336 N N 6.707 125.435 118.700 0.046 0.000 2.137 336 N HA -0.202 4.539 4.740 0.002 0.000 0.190 336 N C 1.283 176.831 175.510 0.063 0.000 1.017 336 N CA 1.310 54.431 53.050 0.118 0.000 0.859 336 N CB -0.376 38.259 38.487 0.246 0.000 1.002 336 N HN 0.575 nan 8.380 nan 0.000 0.428 337 R N 0.299 120.821 120.500 0.037 0.000 2.092 337 R HA -0.034 4.307 4.340 0.002 0.000 0.231 337 R C 2.042 178.355 176.300 0.022 0.000 1.119 337 R CA 1.154 57.268 56.100 0.024 0.000 0.970 337 R CB -0.559 29.733 30.300 -0.014 0.000 0.864 337 R HN 0.423 nan 8.270 nan 0.000 0.440 338 E N 0.743 120.937 120.200 -0.010 0.000 2.072 338 E HA -0.095 4.256 4.350 0.002 0.000 0.191 338 E C 1.978 178.568 176.600 -0.017 0.000 0.985 338 E CA 0.868 57.262 56.400 -0.011 0.000 0.801 338 E CB -0.052 29.627 29.700 -0.035 0.000 0.750 338 E HN -0.005 nan 8.360 nan 0.000 0.452 339 V N 0.852 120.706 119.914 -0.101 0.000 2.287 339 V HA -0.308 3.813 4.120 0.002 0.000 0.248 339 V C 2.364 178.483 176.094 0.041 0.000 1.053 339 V CA 1.957 64.172 62.300 -0.141 0.000 1.027 339 V CB -1.019 30.530 31.823 -0.458 0.000 0.646 339 V HN 0.462 nan 8.190 nan 0.000 0.447 340 A N -0.511 122.387 122.820 0.129 0.000 1.908 340 A HA -0.242 4.079 4.320 0.002 0.000 0.218 340 A C 2.395 180.201 177.584 0.371 0.000 1.181 340 A CA 2.582 54.784 52.037 0.274 0.000 0.627 340 A CB -0.991 18.231 19.000 0.369 0.000 0.818 340 A HN 0.513 nan 8.150 nan 0.000 0.445 341 T N 0.043 114.788 114.554 0.319 0.000 2.708 341 T HA -0.110 4.241 4.350 0.002 0.000 0.266 341 T C 1.970 176.853 174.700 0.305 0.000 1.037 341 T CA 1.512 63.821 62.100 0.349 0.000 1.146 341 T CB -0.147 68.830 68.868 0.182 0.000 0.865 341 T HN 0.356 nan 8.240 nan 0.000 0.435 342 K N 0.851 121.356 120.400 0.176 0.000 2.097 342 K HA 0.005 4.326 4.320 0.002 0.000 0.206 342 K C 2.582 179.247 176.600 0.110 0.000 1.049 342 K CA 0.670 57.029 56.287 0.122 0.000 0.933 342 K CB -1.007 31.525 32.500 0.053 0.000 0.717 342 K HN 0.392 nan 8.250 nan 0.000 0.442 343 C N 0.681 120.050 119.300 0.115 0.000 2.413 343 C HA -0.155 4.305 4.460 0.002 0.000 0.276 343 C C 2.539 177.577 174.990 0.081 0.000 1.236 343 C CA 0.557 59.621 59.018 0.077 0.000 1.735 343 C CB -1.089 26.702 27.740 0.085 0.000 2.031 343 C HN 0.467 nan 8.230 nan 0.000 0.474 344 F N 2.027 121.980 119.950 0.004 0.000 2.126 344 F HA -0.185 4.343 4.527 0.001 0.000 0.299 344 F C 2.324 178.197 175.800 0.122 0.000 1.096 344 F CA 2.073 60.084 58.000 0.018 0.000 1.255 344 F CB -0.524 38.435 39.000 -0.068 0.000 0.997 344 F HN 0.334 nan 8.300 nan 0.000 0.479 345 E N -0.310 119.962 120.200 0.120 0.000 2.265 345 E HA -0.187 4.164 4.350 0.002 0.000 0.196 345 E C 0.921 177.465 176.600 -0.094 0.000 0.996 345 E CA 0.947 57.353 56.400 0.011 0.000 0.832 345 E CB -0.270 29.505 29.700 0.125 0.000 0.756 345 E HN 0.511 nan 8.360 nan 0.000 0.491 346 N N 0.509 119.160 118.700 -0.082 0.000 2.279 346 N HA 0.018 4.759 4.740 0.002 0.000 0.226 346 N C -0.563 174.841 175.510 -0.176 0.000 1.126 346 N CA 0.114 53.098 53.050 -0.109 0.000 0.846 346 N CB 0.752 39.206 38.487 -0.056 0.000 1.050 346 N HN -0.045 nan 8.380 nan 0.000 0.502 347 K N -0.098 120.136 120.400 -0.277 0.000 3.192 347 K HA -0.187 4.134 4.320 0.002 0.000 0.278 347 K C -0.558 175.927 176.600 -0.192 0.000 1.164 347 K CA 0.375 56.421 56.287 -0.401 0.000 0.816 347 K CB -1.913 30.286 32.500 -0.502 0.000 1.256 347 K HN 0.246 nan 8.250 nan 0.000 0.497 348 L N 0.465 121.612 121.223 -0.126 0.000 2.356 348 L HA 0.501 4.841 4.340 0.002 0.000 0.277 348 L C -0.543 176.276 176.870 -0.086 0.000 0.996 348 L CA -0.638 54.103 54.840 -0.165 0.000 0.822 348 L CB 1.331 43.260 42.059 -0.217 0.000 1.256 348 L HN 0.157 nan 8.230 nan 0.000 0.413 349 L N 6.494 127.655 121.223 -0.102 0.000 2.272 349 L HA 0.747 5.087 4.340 0.002 0.000 0.289 349 L C -0.290 176.543 176.870 -0.062 0.000 1.032 349 L CA -0.849 53.931 54.840 -0.100 0.000 0.810 349 L CB 1.449 43.464 42.059 -0.075 0.000 1.205 349 L HN 0.574 nan 8.230 nan 0.000 0.422 350 V N 1.294 121.202 119.914 -0.009 0.000 3.141 350 V HA 0.686 4.807 4.120 0.002 0.000 0.312 350 V C -0.544 175.665 176.094 0.191 0.000 1.157 350 V CA -0.767 61.610 62.300 0.127 0.000 1.041 350 V CB 2.408 34.380 31.823 0.249 0.000 1.071 350 V HN 0.327 nan 8.190 nan 0.000 0.441 351 V N 2.130 122.169 119.914 0.209 0.000 2.350 351 V HA 0.474 4.595 4.120 0.002 0.000 0.285 351 V C -2.437 173.763 176.094 0.176 0.000 1.014 351 V CA -1.771 60.645 62.300 0.194 0.000 0.831 351 V CB 1.078 32.975 31.823 0.124 0.000 1.000 351 V HN 0.880 nan 8.190 nan 0.000 0.433 352 P HA 0.388 nan 4.420 nan 0.000 0.267 352 P C -0.289 177.058 177.300 0.078 0.000 1.200 352 P CA 0.375 63.554 63.100 0.132 0.000 0.772 352 P CB 0.837 32.598 31.700 0.101 0.000 0.855 353 A N 1.938 124.797 122.820 0.065 0.000 2.552 353 A HA 0.780 5.101 4.320 0.002 0.000 0.288 353 A C 0.147 177.744 177.584 0.023 0.000 1.193 353 A CA -0.278 51.775 52.037 0.027 0.000 0.713 353 A CB 0.654 19.662 19.000 0.013 0.000 1.305 353 A HN 0.551 nan 8.150 nan 0.000 0.424 354 G N -0.853 107.948 108.800 0.002 0.000 2.683 354 G HA2 0.385 4.346 3.960 0.002 0.000 0.260 354 G HA3 0.385 4.346 3.960 0.002 0.000 0.260 354 G C 0.152 175.049 174.900 -0.005 0.000 1.238 354 G CA 0.423 45.519 45.100 -0.006 0.000 0.934 354 G HN 1.112 nan 8.290 nan 0.000 0.534 355 N N -0.440 118.255 118.700 -0.009 0.000 2.725 355 N HA -0.214 4.527 4.740 0.002 0.000 0.249 355 N C 0.623 176.139 175.510 0.011 0.000 1.103 355 N CA 1.275 54.321 53.050 -0.007 0.000 0.707 355 N CB -0.919 37.557 38.487 -0.019 0.000 1.043 355 N HN 0.794 nan 8.380 nan 0.000 0.553 356 N N -0.817 117.906 118.700 0.038 0.000 2.738 356 N HA -0.185 4.556 4.740 0.002 0.000 0.249 356 N C -0.652 174.934 175.510 0.125 0.000 1.047 356 N CA 1.620 54.727 53.050 0.094 0.000 0.707 356 N CB -0.911 37.638 38.487 0.104 0.000 0.937 356 N HN 0.664 nan 8.380 nan 0.000 0.545 357 T N -1.926 112.677 114.554 0.082 0.000 2.932 357 T HA 0.736 5.087 4.350 0.002 0.000 0.289 357 T C 0.667 175.448 174.700 0.135 0.000 1.039 357 T CA -0.937 61.185 62.100 0.036 0.000 1.024 357 T CB 1.910 70.760 68.868 -0.029 0.000 1.090 357 T HN 0.356 nan 8.240 nan 0.000 0.496 358 I N -0.991 119.666 120.570 0.145 0.000 2.648 358 I HA 0.732 4.903 4.170 0.002 0.000 0.304 358 I C -0.465 175.732 176.117 0.133 0.000 1.009 358 I CA -1.535 59.887 61.300 0.203 0.000 1.114 358 I CB 1.842 40.044 38.000 0.336 0.000 1.293 358 I HN 0.516 nan 8.210 nan 0.000 0.449 359 R N 3.575 124.190 120.500 0.191 0.000 2.393 359 R HA 0.513 4.854 4.340 0.002 0.000 0.310 359 R C -1.574 174.961 176.300 0.392 0.000 0.968 359 R CA -0.639 55.578 56.100 0.196 0.000 0.867 359 R CB 1.705 32.081 30.300 0.126 0.000 1.124 359 R HN 0.439 nan 8.270 nan 0.000 0.450 360 F N 4.009 124.010 119.950 0.086 0.000 2.371 360 F HA 0.307 4.835 4.527 0.002 0.000 0.363 360 F C 0.274 176.088 175.800 0.023 0.000 1.122 360 F CA -0.988 57.100 58.000 0.146 0.000 1.129 360 F CB 0.797 39.926 39.000 0.216 0.000 1.173 360 F HN 0.300 nan 8.300 nan 0.000 0.489 361 L N 6.682 127.938 121.223 0.056 0.000 2.678 361 L HA 0.276 4.617 4.340 0.002 0.000 0.250 361 L C -2.404 174.298 176.870 -0.280 0.000 1.455 361 L CA -1.617 53.177 54.840 -0.077 0.000 0.823 361 L CB 0.841 42.883 42.059 -0.029 0.000 1.107 361 L HN 0.277 nan 8.230 nan 0.000 0.514 362 P HA 0.230 nan 4.420 nan 0.000 0.272 362 P C -2.581 174.443 177.300 -0.460 0.000 1.240 362 P CA -1.409 61.190 63.100 -0.834 0.000 0.791 362 P CB -0.192 30.643 31.700 -1.441 0.000 0.978 363 P HA 0.087 nan 4.420 nan 0.000 0.268 363 P C 1.143 178.316 177.300 -0.211 0.000 1.208 363 P CA 0.204 63.151 63.100 -0.255 0.000 0.777 363 P CB 0.210 31.780 31.700 -0.217 0.000 0.875 364 L N 0.929 122.085 121.223 -0.111 0.000 2.376 364 L HA -0.090 4.251 4.340 0.002 0.000 0.219 364 L C 1.835 178.638 176.870 -0.112 0.000 1.133 364 L CA 1.647 56.445 54.840 -0.071 0.000 0.816 364 L CB -1.216 40.891 42.059 0.080 0.000 0.933 364 L HN 0.475 nan 8.230 nan 0.000 0.449 365 T N -3.266 111.255 114.554 -0.055 0.000 3.148 365 T HA 0.068 4.419 4.350 0.002 0.000 0.253 365 T C 0.772 175.401 174.700 -0.119 0.000 1.134 365 T CA -0.251 61.813 62.100 -0.061 0.000 1.051 365 T CB -0.393 68.519 68.868 0.073 0.000 0.959 365 T HN 0.036 nan 8.240 nan 0.000 0.525 366 V N 2.092 121.900 119.914 -0.178 0.000 2.814 366 V HA 0.103 4.224 4.120 0.002 0.000 0.307 366 V C 0.543 176.529 176.094 -0.180 0.000 1.089 366 V CA -0.003 62.191 62.300 -0.176 0.000 1.212 366 V CB 0.685 32.341 31.823 -0.279 0.000 0.912 366 V HN 0.417 nan 8.190 nan 0.000 0.497 367 E N 4.418 124.573 120.200 -0.076 0.000 2.319 367 E HA 0.158 4.509 4.350 0.002 0.000 0.268 367 E C 0.369 176.914 176.600 -0.092 0.000 1.050 367 E CA -0.178 56.174 56.400 -0.081 0.000 0.878 367 E CB 1.013 30.745 29.700 0.053 0.000 1.066 367 E HN 0.709 nan 8.360 nan 0.000 0.406 368 Y N 1.161 121.403 120.300 -0.097 0.000 2.151 368 Y HA -0.206 4.345 4.550 0.001 0.000 0.284 368 Y C 2.170 178.130 175.900 0.100 0.000 1.166 368 Y CA 1.891 59.890 58.100 -0.170 0.000 1.163 368 Y CB -0.537 37.663 38.460 -0.435 0.000 0.974 368 Y HN 0.704 nan 8.280 nan 0.000 0.511 369 G N -0.494 108.451 108.800 0.241 0.000 2.432 369 G HA2 -0.219 3.741 3.960 0.002 0.000 0.219 369 G HA3 -0.219 3.741 3.960 0.002 0.000 0.219 369 G C 1.436 176.459 174.900 0.206 0.000 1.135 369 G CA 1.009 46.239 45.100 0.218 0.000 0.767 369 G HN 0.444 nan 8.290 nan 0.000 0.550 370 E N -0.033 120.288 120.200 0.200 0.000 2.106 370 E HA -0.018 4.333 4.350 0.002 0.000 0.192 370 E C 2.434 179.144 176.600 0.184 0.000 0.984 370 E CA 0.342 56.852 56.400 0.184 0.000 0.806 370 E CB -0.104 29.709 29.700 0.189 0.000 0.750 370 E HN 0.471 nan 8.360 nan 0.000 0.458 371 I N 1.507 122.258 120.570 0.301 0.000 2.163 371 I HA -0.287 3.884 4.170 0.002 0.000 0.243 371 I C 1.829 178.078 176.117 0.220 0.000 1.085 371 I CA 1.279 62.805 61.300 0.377 0.000 1.347 371 I CB -0.163 38.126 38.000 0.483 0.000 1.044 371 I HN 0.018 nan 8.210 nan 0.000 0.408 372 D N 0.420 120.968 120.400 0.247 0.000 2.117 372 D HA -0.168 4.473 4.640 0.002 0.000 0.197 372 D C 1.931 178.264 176.300 0.054 0.000 0.987 372 D CA 0.944 55.031 54.000 0.145 0.000 0.829 372 D CB -0.203 40.700 40.800 0.171 0.000 0.961 372 D HN 0.099 nan 8.370 nan 0.000 0.460 373 L N 0.535 121.780 121.223 0.037 0.000 2.083 373 L HA -0.069 4.271 4.340 0.002 0.000 0.209 373 L C 2.011 178.793 176.870 -0.146 0.000 1.083 373 L CA 1.632 56.459 54.840 -0.022 0.000 0.752 373 L CB -0.814 41.260 42.059 0.025 0.000 0.899 373 L HN 0.002 nan 8.230 nan 0.000 0.433 374 A N -1.375 121.255 122.820 -0.317 0.000 1.873 374 A HA -0.131 4.190 4.320 0.002 0.000 0.215 374 A C 2.256 179.737 177.584 -0.171 0.000 1.186 374 A CA 1.908 53.603 52.037 -0.569 0.000 0.616 374 A CB -1.034 17.082 19.000 -1.474 0.000 0.823 374 A HN 0.271 nan 8.150 nan 0.000 0.442 375 V N 0.410 120.318 119.914 -0.010 0.000 2.295 375 V HA -0.218 3.902 4.120 0.002 0.000 0.246 375 V C 2.554 178.649 176.094 0.002 0.000 1.049 375 V CA 2.120 64.463 62.300 0.071 0.000 1.024 375 V CB -0.767 31.094 31.823 0.063 0.000 0.648 375 V HN 0.510 nan 8.190 nan 0.000 0.447 376 E N 0.155 120.348 120.200 -0.011 0.000 2.110 376 E HA -0.175 4.176 4.350 0.002 0.000 0.193 376 E C 2.318 178.905 176.600 -0.022 0.000 0.988 376 E CA 1.846 58.241 56.400 -0.009 0.000 0.804 376 E CB -0.600 29.102 29.700 0.004 0.000 0.745 376 E HN 0.611 nan 8.360 nan 0.000 0.458 377 T N 1.875 116.402 114.554 -0.046 0.000 2.777 377 T HA -0.122 4.229 4.350 0.002 0.000 0.266 377 T C 1.916 176.597 174.700 -0.032 0.000 1.040 377 T CA 0.874 62.943 62.100 -0.051 0.000 1.141 377 T CB -0.271 68.537 68.868 -0.099 0.000 0.868 377 T HN 0.042 nan 8.240 nan 0.000 0.444 378 L N 1.376 122.593 121.223 -0.010 0.000 2.017 378 L HA -0.024 4.317 4.340 0.002 0.000 0.208 378 L C 2.180 179.004 176.870 -0.076 0.000 1.073 378 L CA 1.813 56.660 54.840 0.012 0.000 0.745 378 L CB -0.539 41.585 42.059 0.109 0.000 0.894 378 L HN 0.084 nan 8.230 nan 0.000 0.432 379 K N -0.656 119.668 120.400 -0.126 0.000 2.063 379 K HA -0.242 4.079 4.320 0.002 0.000 0.208 379 K C 2.337 178.910 176.600 -0.045 0.000 1.048 379 K CA 1.868 58.026 56.287 -0.216 0.000 0.928 379 K CB -0.329 32.103 32.500 -0.112 0.000 0.713 379 K HN 0.236 nan 8.250 nan 0.000 0.442 380 K N 1.035 121.433 120.400 -0.003 0.000 2.057 380 K HA -0.109 4.212 4.320 0.002 0.000 0.207 380 K C 2.060 178.673 176.600 0.021 0.000 1.049 380 K CA 1.434 57.737 56.287 0.026 0.000 0.931 380 K CB -0.732 31.775 32.500 0.012 0.000 0.714 380 K HN 0.122 nan 8.250 nan 0.000 0.440 381 V N 1.457 121.369 119.914 -0.003 0.000 2.332 381 V HA -0.191 3.930 4.120 0.002 0.000 0.248 381 V C 2.485 178.575 176.094 -0.007 0.000 1.055 381 V CA 2.277 64.573 62.300 -0.006 0.000 1.038 381 V CB -0.495 31.320 31.823 -0.013 0.000 0.651 381 V HN 0.415 nan 8.190 nan 0.000 0.450 382 L N -0.763 120.448 121.223 -0.020 0.000 2.141 382 L HA -0.193 4.148 4.340 0.002 0.000 0.209 382 L C 2.606 179.561 176.870 0.141 0.000 1.094 382 L CA 1.303 56.154 54.840 0.019 0.000 0.763 382 L CB -0.616 41.407 42.059 -0.060 0.000 0.908 382 L HN 0.373 nan 8.230 nan 0.000 0.437 383 Q N -0.095 119.812 119.800 0.179 0.000 2.170 383 Q HA -0.131 4.210 4.340 0.002 0.000 0.203 383 Q C 1.978 178.030 176.000 0.086 0.000 0.976 383 Q CA 1.397 57.303 55.803 0.172 0.000 0.858 383 Q CB -0.211 28.618 28.738 0.152 0.000 0.907 383 Q HN 0.573 nan 8.270 nan 0.000 0.433 384 G N -0.597 108.237 108.800 0.057 0.000 3.189 384 G HA2 0.178 4.139 3.960 0.002 0.000 0.225 384 G HA3 0.178 4.139 3.960 0.002 0.000 0.225 384 G C 0.247 175.160 174.900 0.021 0.000 1.159 384 G CA -0.306 44.814 45.100 0.033 0.000 0.763 384 G HN 0.063 nan 8.290 nan 0.000 0.549 385 I N 0.000 120.581 120.570 0.018 0.000 2.984 385 I HA 0.000 4.171 4.170 0.002 0.000 0.288 385 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 385 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494