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 1dce_1_B DATA FIRST_RESID 3 DATA SEQUENCE TQQKDVTIKS DAPDTLLLEK HADYIASYGS KKDDYEYCMS EYLRMSGVYW DATA SEQUENCE GLTVMDLMGQ LHRMNKEEIL VFIKSCQHEC GGVSASIGHD PHLLYTLSAV DATA SEQUENCE QILTLYDSIH VINVDKVVAY VQSLQKEDGS FAGDIWGEID TRFSFCAVAT DATA SEQUENCE LALLGKLDAI NVEKAIEFVL SCMNFDGGFG CRPGSESHAG QIYCCTGFLA DATA SEQUENCE ITSQLHQVNS DLLGWWLCER QLPSGGLNGR PEKLPDVCYS WWVLASLKII DATA SEQUENCE GRLHWIDREK LRSFILACQD EETGGFADRP GDMVDPFHTL FGIAGLSLLG DATA SEQUENCE EEQIKPVSPV FCMPEEVLQR VNVQPELVS 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.720 174.700 0.033 0.000 1.109 3 T CA 0.000 62.114 62.100 0.024 0.000 1.349 3 T CB 0.000 68.887 68.868 0.032 0.000 0.612 4 Q N 0.640 120.459 119.800 0.033 0.000 2.429 4 Q HA 0.454 4.794 4.340 0.000 0.000 0.247 4 Q C -1.816 174.201 176.000 0.028 0.000 0.915 4 Q CA -0.529 55.296 55.803 0.037 0.000 0.971 4 Q CB 1.945 30.704 28.738 0.035 0.000 1.468 4 Q HN 0.776 nan 8.270 nan 0.000 0.439 5 Q N 2.569 122.386 119.800 0.027 0.000 2.712 5 Q HA 0.441 4.781 4.340 0.000 0.000 0.267 5 Q C 0.017 176.027 176.000 0.017 0.000 1.062 5 Q CA -0.568 55.245 55.803 0.018 0.000 0.888 5 Q CB 1.363 30.110 28.738 0.014 0.000 1.374 5 Q HN 0.690 nan 8.270 nan 0.000 0.498 6 K N 0.123 120.530 120.400 0.011 0.000 2.032 6 K HA -0.179 4.141 4.320 0.000 0.000 0.209 6 K C 1.265 177.867 176.600 0.003 0.000 1.048 6 K CA 1.827 58.119 56.287 0.008 0.000 0.927 6 K CB 0.015 32.517 32.500 0.003 0.000 0.712 6 K HN 0.545 nan 8.250 nan 0.000 0.441 7 D N -0.208 120.191 120.400 -0.003 0.000 2.197 7 D HA 0.023 4.663 4.640 0.000 0.000 0.212 7 D C 0.630 176.923 176.300 -0.013 0.000 0.963 7 D CA 0.583 54.574 54.000 -0.015 0.000 0.864 7 D CB 0.692 41.480 40.800 -0.020 0.000 1.009 7 D HN -0.078 nan 8.370 nan 0.000 0.479 8 V N -1.490 118.425 119.914 0.002 0.000 3.153 8 V HA 0.281 4.402 4.120 0.000 0.000 0.306 8 V C -1.226 174.891 176.094 0.038 0.000 1.550 8 V CA -0.557 61.750 62.300 0.011 0.000 1.027 8 V CB 1.654 33.473 31.823 -0.007 0.000 1.071 8 V HN -0.016 nan 8.190 nan 0.000 0.475 9 T N 1.120 115.714 114.554 0.066 0.000 2.918 9 T HA 0.715 5.066 4.350 0.000 0.000 0.286 9 T C -0.795 173.950 174.700 0.076 0.000 1.026 9 T CA -0.244 61.909 62.100 0.088 0.000 1.031 9 T CB 0.990 69.954 68.868 0.160 0.000 1.046 9 T HN 0.473 nan 8.240 nan 0.000 0.479 10 I N 3.147 123.751 120.570 0.056 0.000 2.392 10 I HA 0.386 4.557 4.170 0.000 0.000 0.295 10 I C 0.358 176.503 176.117 0.045 0.000 0.985 10 I CA -0.634 60.694 61.300 0.046 0.000 1.221 10 I CB 1.427 39.443 38.000 0.027 0.000 1.366 10 I HN 0.367 nan 8.210 nan 0.000 0.467 11 K N 5.364 125.794 120.400 0.049 0.000 2.310 11 K HA 0.259 4.579 4.320 0.000 0.000 0.290 11 K C -0.757 175.850 176.600 0.012 0.000 1.077 11 K CA -0.115 56.191 56.287 0.033 0.000 0.922 11 K CB 0.581 33.112 32.500 0.052 0.000 1.057 11 K HN 0.556 nan 8.250 nan 0.000 0.479 12 S N 4.914 120.612 115.700 -0.004 0.000 2.399 12 S HA 0.021 4.491 4.470 0.000 0.000 0.301 12 S C -0.969 173.621 174.600 -0.015 0.000 1.093 12 S CA -0.773 57.422 58.200 -0.009 0.000 1.077 12 S CB 0.429 63.621 63.200 -0.014 0.000 0.980 12 S HN 0.741 nan 8.310 nan 0.000 0.494 13 D N 2.521 122.915 120.400 -0.010 0.000 8.055 13 D HA -0.108 4.532 4.640 0.000 0.000 0.185 13 D C 0.393 176.678 176.300 -0.024 0.000 1.453 13 D CA 0.382 54.373 54.000 -0.014 0.000 0.911 13 D CB -0.450 40.344 40.800 -0.010 0.000 1.701 13 D HN 0.470 nan 8.370 nan 0.000 0.977 14 A N 2.793 125.593 122.820 -0.033 0.000 4.015 14 A HA 0.712 5.033 4.320 0.000 0.000 0.233 14 A C -2.667 174.885 177.584 -0.053 0.000 0.909 14 A CA -1.047 50.962 52.037 -0.047 0.000 0.683 14 A CB 0.132 19.098 19.000 -0.057 0.000 1.540 14 A HN 0.254 nan 8.150 nan 0.000 0.809 15 P HA 0.239 nan 4.420 nan 0.000 0.267 15 P C -1.228 176.040 177.300 -0.053 0.000 1.209 15 P CA 0.595 63.650 63.100 -0.074 0.000 0.763 15 P CB 0.313 31.947 31.700 -0.110 0.000 0.816 16 D N -0.060 120.320 120.400 -0.034 0.000 2.650 16 D HA 0.121 4.761 4.640 0.000 0.000 0.265 16 D C -0.467 175.831 176.300 -0.003 0.000 1.339 16 D CA -0.340 53.653 54.000 -0.012 0.000 0.816 16 D CB -0.069 40.728 40.800 -0.005 0.000 1.091 16 D HN 0.057 nan 8.370 nan 0.000 0.483 17 T N 0.329 114.875 114.554 -0.013 0.000 2.903 17 T HA 0.428 4.778 4.350 0.000 0.000 0.299 17 T C -1.183 173.521 174.700 0.006 0.000 1.093 17 T CA -0.736 61.362 62.100 -0.003 0.000 1.002 17 T CB 2.038 70.895 68.868 -0.018 0.000 1.127 17 T HN 0.055 nan 8.240 nan 0.000 0.488 18 L N 2.911 124.154 121.223 0.033 0.000 2.290 18 L HA 0.498 4.838 4.340 0.000 0.000 0.284 18 L C -0.660 176.230 176.870 0.034 0.000 1.078 18 L CA -0.128 54.755 54.840 0.073 0.000 0.815 18 L CB 0.057 42.179 42.059 0.105 0.000 1.162 18 L HN 0.606 nan 8.230 nan 0.000 0.435 19 L N 6.488 127.717 121.223 0.010 0.000 2.843 19 L HA 0.146 4.486 4.340 0.000 0.000 0.234 19 L C 0.942 177.644 176.870 -0.280 0.000 1.264 19 L CA -0.380 54.352 54.840 -0.180 0.000 1.052 19 L CB 0.647 42.529 42.059 -0.295 0.000 1.372 19 L HN 0.683 nan 8.230 nan 0.000 0.466 20 L N 0.459 121.663 121.223 -0.032 0.000 2.046 20 L HA -0.200 4.140 4.340 0.000 0.000 0.208 20 L C 2.489 179.352 176.870 -0.013 0.000 1.077 20 L CA 1.867 56.749 54.840 0.070 0.000 0.747 20 L CB -0.222 41.892 42.059 0.090 0.000 0.896 20 L HN 0.536 nan 8.230 nan 0.000 0.432 21 E N -0.520 119.647 120.200 -0.055 0.000 2.051 21 E HA -0.290 4.060 4.350 0.000 0.000 0.192 21 E C 2.184 178.740 176.600 -0.073 0.000 0.991 21 E CA 1.380 57.755 56.400 -0.043 0.000 0.799 21 E CB -0.026 29.652 29.700 -0.037 0.000 0.748 21 E HN 0.409 nan 8.360 nan 0.000 0.449 22 K N -0.454 119.845 120.400 -0.169 0.000 2.113 22 K HA -0.180 4.140 4.320 0.000 0.000 0.208 22 K C 2.246 178.745 176.600 -0.168 0.000 1.047 22 K CA 1.714 57.877 56.287 -0.207 0.000 0.928 22 K CB -0.156 32.144 32.500 -0.332 0.000 0.716 22 K HN 0.332 nan 8.250 nan 0.000 0.446 23 H N -0.586 118.503 119.070 0.031 0.000 2.357 23 H HA 0.007 4.563 4.556 0.000 0.000 0.301 23 H C 2.024 177.427 175.328 0.125 0.000 1.082 23 H CA 1.368 57.474 56.048 0.097 0.000 1.342 23 H CB -0.257 29.582 29.762 0.129 0.000 1.389 23 H HN 0.251 nan 8.280 nan 0.000 0.511 24 A N 1.137 124.046 122.820 0.148 0.000 1.969 24 A HA -0.131 4.190 4.320 0.000 0.000 0.218 24 A C 1.969 179.589 177.584 0.060 0.000 1.169 24 A CA 1.537 53.625 52.037 0.084 0.000 0.635 24 A CB -0.113 18.909 19.000 0.037 0.000 0.810 24 A HN 0.231 nan 8.150 nan 0.000 0.445 25 D N -1.672 118.764 120.400 0.059 0.000 2.183 25 D HA -0.120 4.520 4.640 0.000 0.000 0.203 25 D C 1.605 177.954 176.300 0.082 0.000 0.969 25 D CA 1.213 55.241 54.000 0.047 0.000 0.842 25 D CB -0.358 40.461 40.800 0.033 0.000 0.957 25 D HN 0.573 nan 8.370 nan 0.000 0.484 26 Y N 1.724 122.041 120.300 0.027 0.000 2.097 26 Y HA -0.213 4.337 4.550 0.000 0.000 0.282 26 Y C 2.076 178.032 175.900 0.092 0.000 1.152 26 Y CA 1.342 59.481 58.100 0.064 0.000 1.136 26 Y CB -0.293 38.222 38.460 0.092 0.000 0.975 26 Y HN -0.134 nan 8.280 nan 0.000 0.498 27 I N 0.355 120.893 120.570 -0.053 0.000 2.353 27 I HA -0.203 3.967 4.170 0.000 0.000 0.248 27 I C 2.665 178.722 176.117 -0.100 0.000 1.119 27 I CA 1.328 62.531 61.300 -0.162 0.000 1.417 27 I CB -2.029 35.937 38.000 -0.058 0.000 1.078 27 I HN 0.361 nan 8.210 nan 0.000 0.421 28 A N 1.106 123.891 122.820 -0.058 0.000 1.883 28 A HA -0.197 4.124 4.320 0.000 0.000 0.217 28 A C 2.286 179.832 177.584 -0.064 0.000 1.186 28 A CA 2.301 54.306 52.037 -0.054 0.000 0.624 28 A CB -0.801 18.174 19.000 -0.043 0.000 0.822 28 A HN 0.524 nan 8.150 nan 0.000 0.444 29 S N -2.149 113.507 115.700 -0.073 0.000 2.614 29 S HA 0.093 4.564 4.470 0.000 0.000 0.230 29 S C 1.259 175.767 174.600 -0.153 0.000 0.952 29 S CA 0.317 58.460 58.200 -0.096 0.000 0.949 29 S CB -0.611 62.548 63.200 -0.069 0.000 0.786 29 S HN 0.538 nan 8.310 nan 0.000 0.478 30 Y N 2.606 122.727 120.300 -0.298 0.000 2.163 30 Y HA 0.125 4.675 4.550 0.000 0.000 0.288 30 Y C 2.211 177.909 175.900 -0.337 0.000 1.136 30 Y CA 1.713 59.584 58.100 -0.382 0.000 1.147 30 Y CB -0.893 37.291 38.460 -0.461 0.000 0.987 30 Y HN 0.378 nan 8.280 nan 0.000 0.509 31 G N -1.664 106.968 108.800 -0.280 0.000 2.776 31 G HA2 -0.059 3.901 3.960 0.000 0.000 0.209 31 G HA3 -0.059 3.901 3.960 0.000 0.000 0.209 31 G C 1.081 175.656 174.900 -0.541 0.000 1.145 31 G CA 0.835 45.587 45.100 -0.579 0.000 0.791 31 G HN 0.413 nan 8.290 nan 0.000 0.530 32 S N -0.813 114.662 115.700 -0.375 0.000 2.666 32 S HA 0.165 4.635 4.470 0.000 0.000 0.239 32 S C 1.727 176.194 174.600 -0.222 0.000 1.031 32 S CA -0.425 57.623 58.200 -0.252 0.000 1.015 32 S CB 0.516 63.617 63.200 -0.165 0.000 0.981 32 S HN 0.320 nan 8.310 nan 0.000 0.547 33 K N 1.489 121.717 120.400 -0.287 0.000 2.074 33 K HA -0.076 4.244 4.320 0.000 0.000 0.209 33 K C 1.358 177.871 176.600 -0.146 0.000 1.048 33 K CA 1.374 57.536 56.287 -0.209 0.000 0.926 33 K CB 0.075 32.414 32.500 -0.269 0.000 0.713 33 K HN 0.170 nan 8.250 nan 0.000 0.444 34 K N -2.627 117.664 120.400 -0.183 0.000 1.618 34 K HA 0.046 4.366 4.320 0.000 0.000 0.282 34 K C -1.187 175.348 176.600 -0.108 0.000 0.754 34 K CA -0.206 56.021 56.287 -0.101 0.000 0.374 34 K CB 0.981 33.466 32.500 -0.024 0.000 2.724 34 K HN -0.115 nan 8.250 nan 0.000 0.958 35 D N 0.222 120.594 120.400 -0.047 0.000 2.848 35 D HA 0.188 4.828 4.640 0.000 0.000 0.303 35 D C -1.164 175.155 176.300 0.031 0.000 1.665 35 D CA 0.249 54.235 54.000 -0.022 0.000 0.807 35 D CB 0.638 41.426 40.800 -0.020 0.000 1.288 35 D HN 0.336 nan 8.370 nan 0.000 0.441 36 D N -1.133 119.307 120.400 0.068 0.000 4.269 36 D HA 0.140 4.780 4.640 0.000 0.000 0.211 36 D C 0.077 176.503 176.300 0.210 0.000 1.635 36 D CA -0.149 53.914 54.000 0.104 0.000 1.197 36 D CB 0.535 41.364 40.800 0.049 0.000 1.592 36 D HN -0.103 nan 8.370 nan 0.000 0.558 37 Y N 1.126 121.452 120.300 0.045 0.000 3.188 37 Y HA -0.357 4.193 4.550 0.000 0.000 0.372 37 Y C 1.429 177.388 175.900 0.099 0.000 1.057 37 Y CA 1.730 59.868 58.100 0.063 0.000 1.371 37 Y CB -0.681 37.804 38.460 0.041 0.000 0.965 37 Y HN 0.387 nan 8.280 nan 0.000 0.588 38 E N -0.362 120.199 120.200 0.602 0.000 2.401 38 E HA -0.154 4.196 4.350 0.000 0.000 0.199 38 E C 1.631 178.369 176.600 0.229 0.000 1.023 38 E CA 1.646 58.248 56.400 0.337 0.000 0.859 38 E CB -0.823 29.055 29.700 0.298 0.000 0.780 38 E HN 0.638 nan 8.360 nan 0.000 0.523 39 Y N 0.789 121.153 120.300 0.107 0.000 2.193 39 Y HA -0.329 4.221 4.550 0.000 0.000 0.285 39 Y C 2.564 178.495 175.900 0.051 0.000 1.166 39 Y CA 1.356 59.477 58.100 0.035 0.000 1.181 39 Y CB -0.560 37.878 38.460 -0.037 0.000 0.976 39 Y HN 0.423 nan 8.280 nan 0.000 0.520 40 C N 0.040 119.445 119.300 0.174 0.000 2.489 40 C HA -0.135 4.325 4.460 0.000 0.000 0.279 40 C C 2.480 177.533 174.990 0.104 0.000 1.266 40 C CA 1.035 60.123 59.018 0.115 0.000 1.707 40 C CB -1.124 26.693 27.740 0.128 0.000 2.059 40 C HN 0.534 nan 8.230 nan 0.000 0.481 41 M N 1.256 120.939 119.600 0.138 0.000 2.630 41 M HA -0.004 4.476 4.480 0.000 0.000 0.254 41 M C 1.685 178.112 176.300 0.213 0.000 1.092 41 M CA 0.822 56.227 55.300 0.175 0.000 1.087 41 M CB -0.415 32.289 32.600 0.174 0.000 1.453 41 M HN 0.468 nan 8.290 nan 0.000 0.509 42 S N -0.465 115.277 115.700 0.070 0.000 2.539 42 S HA 0.034 4.504 4.470 0.000 0.000 0.221 42 S C 1.304 175.735 174.600 -0.281 0.000 0.987 42 S CA -0.105 58.031 58.200 -0.107 0.000 0.929 42 S CB 0.247 63.375 63.200 -0.121 0.000 0.832 42 S HN 0.306 nan 8.310 nan 0.000 0.492 43 E N 1.942 122.056 120.200 -0.143 0.000 2.187 43 E HA -0.233 4.117 4.350 0.000 0.000 0.199 43 E C 1.455 177.922 176.600 -0.221 0.000 1.004 43 E CA 1.573 57.861 56.400 -0.188 0.000 0.813 43 E CB -0.492 29.191 29.700 -0.029 0.000 0.736 43 E HN 0.844 nan 8.360 nan 0.000 0.468 44 Y N -0.592 119.687 120.300 -0.034 0.000 2.556 44 Y HA -0.055 4.495 4.550 0.000 0.000 0.290 44 Y C 1.169 176.934 175.900 -0.226 0.000 1.149 44 Y CA 0.910 58.996 58.100 -0.022 0.000 1.329 44 Y CB -0.298 38.227 38.460 0.110 0.000 0.975 44 Y HN 0.120 nan 8.280 nan 0.000 0.561 45 L N -2.625 118.127 121.223 -0.784 0.000 3.016 45 L HA 0.547 4.888 4.340 0.000 0.000 0.267 45 L C 1.712 178.280 176.870 -0.503 0.000 1.182 45 L CA -0.270 54.215 54.840 -0.592 0.000 0.997 45 L CB -0.371 41.411 42.059 -0.462 0.000 1.354 45 L HN -0.107 nan 8.230 nan 0.000 0.569 46 R N 1.223 121.434 120.500 -0.482 0.000 2.159 46 R HA -0.256 4.084 4.340 0.000 0.000 0.252 46 R C 2.008 178.146 176.300 -0.270 0.000 1.144 46 R CA 2.728 58.594 56.100 -0.390 0.000 0.961 46 R CB -0.715 29.387 30.300 -0.330 0.000 0.877 46 R HN 0.509 nan 8.270 nan 0.000 0.444 47 M N -0.289 119.233 119.600 -0.129 0.000 2.202 47 M HA -0.082 4.398 4.480 0.000 0.000 0.262 47 M C 1.836 178.090 176.300 -0.076 0.000 1.063 47 M CA 1.848 57.169 55.300 0.034 0.000 1.097 47 M CB -0.150 32.502 32.600 0.086 0.000 1.382 47 M HN 0.172 nan 8.290 nan 0.000 0.413 48 S N -0.440 115.129 115.700 -0.219 0.000 2.388 48 S HA 0.114 4.584 4.470 0.000 0.000 0.223 48 S C 1.937 175.748 174.600 -1.315 0.000 1.034 48 S CA 0.855 58.743 58.200 -0.521 0.000 0.963 48 S CB -0.885 62.114 63.200 -0.333 0.000 0.827 48 S HN 0.692 nan 8.310 nan 0.000 0.481 49 G N 1.844 109.929 108.800 -1.192 0.000 2.469 49 G HA2 -0.204 3.756 3.960 0.000 0.000 0.219 49 G HA3 -0.204 3.756 3.960 0.000 0.000 0.219 49 G C 1.435 176.101 174.900 -0.390 0.000 1.150 49 G CA 1.292 45.919 45.100 -0.787 0.000 0.763 49 G HN 0.414 nan 8.290 nan 0.000 0.561 50 V N 0.198 119.946 119.914 -0.277 0.000 2.343 50 V HA -0.231 3.889 4.120 0.000 0.000 0.247 50 V C 2.336 178.369 176.094 -0.103 0.000 1.051 50 V CA 1.885 64.107 62.300 -0.130 0.000 1.036 50 V CB -0.836 30.955 31.823 -0.054 0.000 0.654 50 V HN 0.563 nan 8.190 nan 0.000 0.451 51 Y N -0.023 120.135 120.300 -0.237 0.000 2.224 51 Y HA -0.222 4.328 4.550 0.000 0.000 0.289 51 Y C 2.222 178.078 175.900 -0.073 0.000 1.146 51 Y CA 1.488 59.496 58.100 -0.152 0.000 1.182 51 Y CB -0.403 37.984 38.460 -0.121 0.000 0.983 51 Y HN 0.249 nan 8.280 nan 0.000 0.524 52 W N 0.638 121.641 121.300 -0.496 0.000 2.379 52 W HA 0.016 4.676 4.660 0.000 0.000 0.307 52 W C 2.731 178.955 176.519 -0.492 0.000 1.200 52 W CA 1.225 58.175 57.345 -0.659 0.000 1.297 52 W CB -1.510 27.679 29.460 -0.450 0.000 1.140 52 W HN 0.250 nan 8.180 nan 0.000 0.507 53 G N 0.669 109.393 108.800 -0.126 0.000 2.402 53 G HA2 -0.176 3.785 3.960 0.000 0.000 0.216 53 G HA3 -0.176 3.785 3.960 0.000 0.000 0.216 53 G C 1.722 176.528 174.900 -0.155 0.000 1.162 53 G CA 0.880 45.893 45.100 -0.145 0.000 0.777 53 G HN 0.124 nan 8.290 nan 0.000 0.539 54 L N 0.471 121.602 121.223 -0.154 0.000 1.989 54 L HA -0.127 4.213 4.340 0.000 0.000 0.211 54 L C 3.218 179.969 176.870 -0.198 0.000 1.071 54 L CA 1.802 56.542 54.840 -0.166 0.000 0.749 54 L CB -1.086 40.869 42.059 -0.172 0.000 0.890 54 L HN 0.189 nan 8.230 nan 0.000 0.431 55 T N -0.629 113.769 114.554 -0.259 0.000 2.684 55 T HA -0.219 4.131 4.350 0.000 0.000 0.267 55 T C 1.899 176.459 174.700 -0.232 0.000 1.036 55 T CA 1.567 63.516 62.100 -0.252 0.000 1.148 55 T CB -0.388 68.224 68.868 -0.428 0.000 0.863 55 T HN 0.135 nan 8.240 nan 0.000 0.436 56 V N 1.456 121.209 119.914 -0.268 0.000 2.407 56 V HA -0.147 3.973 4.120 0.000 0.000 0.248 56 V C 2.319 178.331 176.094 -0.137 0.000 1.055 56 V CA 1.456 63.620 62.300 -0.226 0.000 1.049 56 V CB -0.473 31.203 31.823 -0.245 0.000 0.662 56 V HN 0.397 nan 8.190 nan 0.000 0.455 57 M N -0.475 119.049 119.600 -0.125 0.000 2.086 57 M HA -0.146 4.334 4.480 0.000 0.000 0.261 57 M C 2.063 178.315 176.300 -0.081 0.000 1.067 57 M CA 2.135 57.379 55.300 -0.092 0.000 1.116 57 M CB -1.524 31.016 32.600 -0.101 0.000 1.348 57 M HN 0.408 nan 8.290 nan 0.000 0.407 58 D N 0.405 120.749 120.400 -0.094 0.000 2.144 58 D HA -0.070 4.570 4.640 0.000 0.000 0.200 58 D C 2.182 178.456 176.300 -0.043 0.000 0.978 58 D CA 0.826 54.787 54.000 -0.064 0.000 0.833 58 D CB -0.058 40.691 40.800 -0.085 0.000 0.961 58 D HN 0.286 nan 8.370 nan 0.000 0.470 59 L N -0.411 120.774 121.223 -0.064 0.000 2.127 59 L HA -0.095 4.245 4.340 0.000 0.000 0.211 59 L C 2.094 178.951 176.870 -0.022 0.000 1.089 59 L CA 0.760 55.571 54.840 -0.048 0.000 0.757 59 L CB -0.254 41.750 42.059 -0.092 0.000 0.899 59 L HN 0.123 nan 8.230 nan 0.000 0.434 60 M N -0.820 118.766 119.600 -0.022 0.000 2.505 60 M HA 0.175 4.655 4.480 0.000 0.000 0.230 60 M C 1.221 177.533 176.300 0.021 0.000 1.153 60 M CA 0.417 55.721 55.300 0.007 0.000 0.997 60 M CB 0.290 32.901 32.600 0.019 0.000 1.606 60 M HN 0.341 nan 8.290 nan 0.000 0.481 61 G N 1.399 110.211 108.800 0.021 0.000 2.203 61 G HA2 -0.279 3.681 3.960 0.000 0.000 0.263 61 G HA3 -0.279 3.681 3.960 0.000 0.000 0.263 61 G C 0.337 175.283 174.900 0.078 0.000 1.012 61 G CA 0.392 45.522 45.100 0.051 0.000 0.749 61 G HN 0.612 nan 8.290 nan 0.000 0.512 62 Q N -1.265 118.535 119.800 0.001 0.000 2.106 62 Q HA 0.348 4.688 4.340 0.000 0.000 0.273 62 Q C 1.866 177.715 176.000 -0.252 0.000 0.853 62 Q CA -0.524 55.199 55.803 -0.132 0.000 1.118 62 Q CB 0.348 29.016 28.738 -0.116 0.000 1.240 62 Q HN 0.342 nan 8.270 nan 0.000 0.445 63 L N 1.476 122.639 121.223 -0.101 0.000 2.079 63 L HA -0.219 4.121 4.340 0.000 0.000 0.210 63 L C 2.380 179.212 176.870 -0.064 0.000 1.081 63 L CA 2.175 56.970 54.840 -0.075 0.000 0.752 63 L CB -0.438 41.609 42.059 -0.021 0.000 0.896 63 L HN 0.494 nan 8.230 nan 0.000 0.433 64 H N -0.843 118.262 119.070 0.058 0.000 2.518 64 H HA -0.125 4.431 4.556 0.000 0.000 0.289 64 H C 1.751 177.109 175.328 0.050 0.000 1.051 64 H CA 1.103 57.190 56.048 0.065 0.000 1.280 64 H CB -0.507 29.282 29.762 0.045 0.000 1.380 64 H HN 0.417 nan 8.280 nan 0.000 0.566 65 R N -0.121 120.087 120.500 -0.487 0.000 2.328 65 R HA 0.050 4.390 4.340 0.000 0.000 0.207 65 R C 0.318 176.573 176.300 -0.075 0.000 1.056 65 R CA 0.339 56.310 56.100 -0.214 0.000 1.016 65 R CB 0.112 30.269 30.300 -0.238 0.000 0.872 65 R HN 0.245 nan 8.270 nan 0.000 0.471 66 M N 0.085 119.670 119.600 -0.026 0.000 2.573 66 M HA 0.169 4.649 4.480 0.000 0.000 0.309 66 M C -0.248 176.092 176.300 0.066 0.000 1.202 66 M CA -0.778 54.537 55.300 0.025 0.000 0.975 66 M CB 0.913 33.543 32.600 0.050 0.000 1.600 66 M HN -0.056 nan 8.290 nan 0.000 0.479 67 N N 1.514 120.244 118.700 0.051 0.000 2.555 67 N HA 0.055 4.795 4.740 0.000 0.000 0.244 67 N C 0.882 176.397 175.510 0.008 0.000 1.114 67 N CA -0.168 52.897 53.050 0.024 0.000 0.963 67 N CB 1.202 39.692 38.487 0.004 0.000 1.276 67 N HN 0.535 nan 8.380 nan 0.000 0.510 68 K N 2.498 122.859 120.400 -0.066 0.000 2.026 68 K HA -0.236 4.084 4.320 0.000 0.000 0.208 68 K C 1.743 178.196 176.600 -0.245 0.000 1.048 68 K CA 1.370 57.443 56.287 -0.357 0.000 0.929 68 K CB 0.150 32.253 32.500 -0.661 0.000 0.713 68 K HN 0.485 nan 8.250 nan 0.000 0.439 69 E N 0.622 120.736 120.200 -0.145 0.000 2.038 69 E HA -0.247 4.103 4.350 0.000 0.000 0.195 69 E C 1.750 178.326 176.600 -0.040 0.000 1.000 69 E CA 1.733 58.075 56.400 -0.095 0.000 0.803 69 E CB -0.004 29.660 29.700 -0.061 0.000 0.750 69 E HN 0.386 nan 8.360 nan 0.000 0.448 70 E N 0.453 120.644 120.200 -0.014 0.000 2.118 70 E HA -0.180 4.170 4.350 0.000 0.000 0.195 70 E C 2.179 178.824 176.600 0.076 0.000 0.992 70 E CA 1.450 57.866 56.400 0.026 0.000 0.804 70 E CB -0.105 29.602 29.700 0.013 0.000 0.741 70 E HN 0.411 nan 8.360 nan 0.000 0.458 71 I N 0.314 120.923 120.570 0.065 0.000 2.226 71 I HA -0.258 3.912 4.170 0.000 0.000 0.245 71 I C 2.039 178.256 176.117 0.168 0.000 1.100 71 I CA 0.653 62.042 61.300 0.148 0.000 1.374 71 I CB -0.146 37.960 38.000 0.175 0.000 1.057 71 I HN 0.156 nan 8.210 nan 0.000 0.413 72 L N 0.088 121.343 121.223 0.054 0.000 2.083 72 L HA -0.153 4.187 4.340 0.000 0.000 0.209 72 L C 2.362 179.260 176.870 0.046 0.000 1.083 72 L CA 1.494 56.352 54.840 0.030 0.000 0.752 72 L CB -0.620 41.409 42.059 -0.050 0.000 0.899 72 L HN 0.009 nan 8.230 nan 0.000 0.433 73 V N -1.349 118.600 119.914 0.058 0.000 2.283 73 V HA -0.291 3.829 4.120 0.000 0.000 0.243 73 V C 2.243 178.389 176.094 0.086 0.000 1.039 73 V CA 1.602 63.935 62.300 0.056 0.000 1.016 73 V CB -0.732 31.123 31.823 0.052 0.000 0.650 73 V HN 0.359 nan 8.190 nan 0.000 0.449 74 F N 0.664 120.610 119.950 -0.008 0.000 2.063 74 F HA -0.311 4.216 4.527 0.000 0.000 0.297 74 F C 2.115 177.910 175.800 -0.009 0.000 1.099 74 F CA 2.095 60.089 58.000 -0.009 0.000 1.220 74 F CB -0.349 38.648 39.000 -0.004 0.000 0.972 74 F HN 0.054 nan 8.300 nan 0.000 0.487 75 I N -0.226 120.316 120.570 -0.047 0.000 2.163 75 I HA -0.316 3.854 4.170 0.000 0.000 0.240 75 I C 2.546 178.568 176.117 -0.158 0.000 1.081 75 I CA 1.599 62.814 61.300 -0.142 0.000 1.353 75 I CB -0.585 37.433 38.000 0.030 0.000 1.054 75 I HN 0.086 nan 8.210 nan 0.000 0.407 76 K N 0.718 121.070 120.400 -0.081 0.000 2.089 76 K HA -0.222 4.098 4.320 0.000 0.000 0.210 76 K C 2.052 178.582 176.600 -0.116 0.000 1.048 76 K CA 2.120 58.363 56.287 -0.074 0.000 0.926 76 K CB -0.044 32.433 32.500 -0.039 0.000 0.714 76 K HN 0.249 nan 8.250 nan 0.000 0.448 77 S N -0.329 115.281 115.700 -0.151 0.000 2.481 77 S HA -0.083 4.387 4.470 0.000 0.000 0.231 77 S C 1.601 176.056 174.600 -0.241 0.000 0.996 77 S CA 0.768 58.865 58.200 -0.172 0.000 0.942 77 S CB -0.018 63.097 63.200 -0.141 0.000 0.768 77 S HN 0.389 nan 8.310 nan 0.000 0.520 78 C N 1.421 120.536 119.300 -0.307 0.000 2.697 78 C HA 0.269 4.730 4.460 0.000 0.000 0.267 78 C C 1.089 176.052 174.990 -0.045 0.000 1.278 78 C CA -0.735 58.145 59.018 -0.230 0.000 1.708 78 C CB -1.454 26.062 27.740 -0.374 0.000 1.860 78 C HN 0.573 nan 8.230 nan 0.000 0.589 79 Q N 1.414 121.166 119.800 -0.080 0.000 2.304 79 Q HA 0.132 4.473 4.340 0.000 0.000 0.260 79 Q C -0.232 175.762 176.000 -0.010 0.000 0.965 79 Q CA 0.348 56.140 55.803 -0.018 0.000 0.898 79 Q CB 0.457 29.165 28.738 -0.050 0.000 1.196 79 Q HN 0.642 nan 8.270 nan 0.000 0.402 80 H N 2.376 121.367 119.070 -0.132 0.000 2.495 80 H HA 0.057 4.613 4.556 0.000 0.000 0.350 80 H C 0.427 175.707 175.328 -0.080 0.000 1.202 80 H CA -0.939 55.052 56.048 -0.094 0.000 1.322 80 H CB 1.401 31.108 29.762 -0.091 0.000 1.544 80 H HN 0.728 nan 8.280 nan 0.000 0.565 81 E N 0.943 121.163 120.200 0.034 0.000 2.267 81 E HA -0.127 4.223 4.350 0.000 0.000 0.197 81 E C 2.108 178.728 176.600 0.033 0.000 0.998 81 E CA 0.745 57.155 56.400 0.017 0.000 0.830 81 E CB -0.632 29.072 29.700 0.007 0.000 0.751 81 E HN 0.575 nan 8.360 nan 0.000 0.491 82 C N -1.629 117.703 119.300 0.054 0.000 2.472 82 C HA 0.446 4.906 4.460 0.000 0.000 0.278 82 C C 1.898 176.918 174.990 0.050 0.000 1.447 82 C CA 0.255 59.316 59.018 0.071 0.000 1.773 82 C CB -0.756 27.061 27.740 0.127 0.000 1.793 82 C HN 0.463 nan 8.230 nan 0.000 0.544 83 G N -0.060 108.720 108.800 -0.032 0.000 2.259 83 G HA2 0.050 4.011 3.960 0.000 0.000 0.217 83 G HA3 0.050 4.011 3.960 0.000 0.000 0.217 83 G C 0.454 175.202 174.900 -0.253 0.000 1.001 83 G CA 0.065 45.128 45.100 -0.061 0.000 0.627 83 G HN 1.174 nan 8.290 nan 0.000 0.501 84 G N -0.215 108.145 108.800 -0.732 0.000 2.503 84 G HA2 0.648 4.608 3.960 0.000 0.000 0.257 84 G HA3 0.648 4.608 3.960 0.000 0.000 0.257 84 G C 0.257 174.827 174.900 -0.550 0.000 1.214 84 G CA 0.520 44.807 45.100 -1.354 0.000 0.839 84 G HN 1.587 nan 8.290 nan 0.000 0.559 85 V N 0.165 119.890 119.914 -0.315 0.000 2.732 85 V HA 0.857 4.978 4.120 0.000 0.000 0.310 85 V C 0.257 176.332 176.094 -0.031 0.000 1.053 85 V CA -0.203 62.038 62.300 -0.099 0.000 0.957 85 V CB 1.617 33.411 31.823 -0.048 0.000 1.018 85 V HN 1.087 nan 8.190 nan 0.000 0.452 86 S N 3.705 119.404 115.700 -0.002 0.000 2.687 86 S HA 0.745 5.215 4.470 0.000 0.000 0.283 86 S C 1.229 175.766 174.600 -0.106 0.000 1.170 86 S CA -0.180 58.026 58.200 0.010 0.000 1.008 86 S CB 1.461 64.694 63.200 0.054 0.000 1.026 86 S HN 1.840 nan 8.310 nan 0.000 0.541 87 A N 0.926 123.495 122.820 -0.418 0.000 1.978 87 A HA 0.218 4.538 4.320 0.000 0.000 0.220 87 A C 1.328 178.693 177.584 -0.366 0.000 1.170 87 A CA 1.603 53.180 52.037 -0.767 0.000 0.636 87 A CB -0.782 17.535 19.000 -1.138 0.000 0.810 87 A HN 1.257 nan 8.150 nan 0.000 0.448 88 S N -2.979 112.483 115.700 -0.396 0.000 2.703 88 S HA 0.502 4.972 4.470 0.000 0.000 0.273 88 S C -1.159 173.346 174.600 -0.158 0.000 1.178 88 S CA -0.747 57.296 58.200 -0.261 0.000 0.838 88 S CB -0.023 63.017 63.200 -0.268 0.000 1.178 88 S HN 0.285 nan 8.310 nan 0.000 0.494 89 I N 2.421 122.981 120.570 -0.017 0.000 2.517 89 I HA 0.406 4.577 4.170 0.000 0.000 0.285 89 I C 1.587 177.810 176.117 0.177 0.000 1.106 89 I CA 1.302 62.617 61.300 0.025 0.000 1.402 89 I CB 0.361 38.382 38.000 0.034 0.000 1.399 89 I HN 1.129 nan 8.210 nan 0.000 0.535 90 G N 3.922 112.821 108.800 0.164 0.000 2.195 90 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 90 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 90 G C 0.219 175.291 174.900 0.285 0.000 0.984 90 G CA -0.315 44.901 45.100 0.193 0.000 0.633 90 G HN 0.627 nan 8.290 nan 0.000 0.525 91 H N 0.871 120.013 119.070 0.121 0.000 2.509 91 H HA 0.578 5.134 4.556 0.000 0.000 0.360 91 H C 0.049 175.430 175.328 0.088 0.000 1.398 91 H CA -0.182 55.919 56.048 0.089 0.000 1.429 91 H CB 0.367 30.148 29.762 0.032 0.000 1.611 91 H HN 0.168 nan 8.280 nan 0.000 0.606 92 D N 1.634 122.124 120.400 0.150 0.000 2.225 92 D HA 0.184 4.824 4.640 0.000 0.000 0.249 92 D C -2.157 174.088 176.300 -0.090 0.000 1.052 92 D CA -1.599 52.399 54.000 -0.004 0.000 0.909 92 D CB 0.513 41.392 40.800 0.132 0.000 1.186 92 D HN 0.272 nan 8.370 nan 0.000 0.431 93 P HA 0.070 nan 4.420 nan 0.000 0.268 93 P C -0.789 176.599 177.300 0.147 0.000 1.208 93 P CA 0.269 63.219 63.100 -0.251 0.000 0.777 93 P CB 0.562 31.964 31.700 -0.497 0.000 0.875 94 H N 0.163 119.296 119.070 0.106 0.000 3.079 94 H HA 0.194 4.750 4.556 0.000 0.000 0.356 94 H C 0.508 175.899 175.328 0.105 0.000 1.221 94 H CA -0.749 55.394 56.048 0.158 0.000 1.185 94 H CB 0.906 30.770 29.762 0.169 0.000 1.882 94 H HN 0.143 nan 8.280 nan 0.000 0.543 95 L N 2.907 124.001 121.223 -0.216 0.000 2.079 95 L HA -0.144 4.196 4.340 0.000 0.000 0.210 95 L C 1.274 178.161 176.870 0.028 0.000 1.081 95 L CA 1.521 56.317 54.840 -0.074 0.000 0.752 95 L CB -0.688 41.180 42.059 -0.318 0.000 0.896 95 L HN 0.737 nan 8.230 nan 0.000 0.433 96 L N -0.993 120.331 121.223 0.168 0.000 1.997 96 L HA -0.295 4.045 4.340 0.000 0.000 0.216 96 L C 2.485 179.221 176.870 -0.224 0.000 1.074 96 L CA 2.128 56.906 54.840 -0.103 0.000 0.763 96 L CB -1.669 40.066 42.059 -0.540 0.000 0.890 96 L HN 0.384 nan 8.230 nan 0.000 0.434 97 Y N -1.200 119.205 120.300 0.176 0.000 2.475 97 Y HA -0.085 4.465 4.550 0.000 0.000 0.289 97 Y C 2.471 178.387 175.900 0.028 0.000 1.121 97 Y CA 0.670 58.812 58.100 0.070 0.000 1.257 97 Y CB -0.642 37.846 38.460 0.047 0.000 1.026 97 Y HN 0.154 nan 8.280 nan 0.000 0.555 98 T N 1.032 115.658 114.554 0.120 0.000 2.674 98 T HA -0.220 4.130 4.350 0.000 0.000 0.265 98 T C 1.921 176.634 174.700 0.021 0.000 1.039 98 T CA 1.574 63.705 62.100 0.052 0.000 1.150 98 T CB -0.617 68.291 68.868 0.066 0.000 0.864 98 T HN 0.224 nan 8.240 nan 0.000 0.427 99 L N 1.415 122.641 121.223 0.005 0.000 2.046 99 L HA -0.069 4.271 4.340 0.000 0.000 0.208 99 L C 2.442 179.272 176.870 -0.066 0.000 1.077 99 L CA 1.751 56.571 54.840 -0.034 0.000 0.747 99 L CB -0.956 41.080 42.059 -0.039 0.000 0.896 99 L HN 0.124 nan 8.230 nan 0.000 0.432 100 S N 0.314 115.982 115.700 -0.053 0.000 2.359 100 S HA -0.255 4.216 4.470 0.000 0.000 0.223 100 S C 2.132 176.717 174.600 -0.026 0.000 1.039 100 S CA 1.396 59.533 58.200 -0.104 0.000 1.042 100 S CB -0.972 62.239 63.200 0.019 0.000 0.915 100 S HN 0.714 nan 8.310 nan 0.000 0.439 101 A N 1.323 124.162 122.820 0.032 0.000 1.883 101 A HA -0.092 4.229 4.320 0.000 0.000 0.217 101 A C 2.392 179.986 177.584 0.016 0.000 1.186 101 A CA 1.836 53.896 52.037 0.039 0.000 0.624 101 A CB -1.128 17.886 19.000 0.025 0.000 0.822 101 A HN 0.345 nan 8.150 nan 0.000 0.444 102 V N 0.094 120.002 119.914 -0.011 0.000 2.392 102 V HA -0.350 3.771 4.120 0.000 0.000 0.249 102 V C 2.653 178.730 176.094 -0.028 0.000 1.059 102 V CA 2.358 64.642 62.300 -0.027 0.000 1.051 102 V CB -0.966 30.834 31.823 -0.039 0.000 0.658 102 V HN 0.663 nan 8.190 nan 0.000 0.455 103 Q N -0.579 119.194 119.800 -0.044 0.000 2.079 103 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 103 Q C 2.276 178.304 176.000 0.047 0.000 0.974 103 Q CA 1.684 57.471 55.803 -0.027 0.000 0.840 103 Q CB -0.232 28.407 28.738 -0.165 0.000 0.898 103 Q HN 0.579 nan 8.270 nan 0.000 0.430 104 I N 0.670 121.286 120.570 0.076 0.000 2.226 104 I HA -0.289 3.881 4.170 0.000 0.000 0.245 104 I C 2.046 178.209 176.117 0.077 0.000 1.100 104 I CA 1.165 62.514 61.300 0.082 0.000 1.374 104 I CB -0.207 37.873 38.000 0.133 0.000 1.057 104 I HN 0.182 nan 8.210 nan 0.000 0.413 105 L N -0.254 121.020 121.223 0.085 0.000 2.217 105 L HA -0.117 4.223 4.340 0.000 0.000 0.211 105 L C 2.514 179.419 176.870 0.059 0.000 1.107 105 L CA 0.976 55.876 54.840 0.100 0.000 0.783 105 L CB -0.862 41.224 42.059 0.044 0.000 0.919 105 L HN 0.240 nan 8.230 nan 0.000 0.442 106 T N 0.188 114.748 114.554 0.010 0.000 2.701 106 T HA -0.148 4.202 4.350 0.000 0.000 0.263 106 T C 1.902 176.599 174.700 -0.005 0.000 1.040 106 T CA 0.975 63.065 62.100 -0.015 0.000 1.147 106 T CB -0.193 68.642 68.868 -0.055 0.000 0.865 106 T HN 0.020 nan 8.240 nan 0.000 0.426 107 L N 0.211 121.417 121.223 -0.027 0.000 2.051 107 L HA -0.102 4.238 4.340 0.000 0.000 0.214 107 L C 1.711 178.548 176.870 -0.056 0.000 1.076 107 L CA 1.650 56.436 54.840 -0.089 0.000 0.758 107 L CB -0.983 40.942 42.059 -0.223 0.000 0.890 107 L HN 0.463 nan 8.230 nan 0.000 0.433 108 Y N -1.403 118.913 120.300 0.026 0.000 2.493 108 Y HA 0.053 4.604 4.550 0.000 0.000 0.275 108 Y C 0.551 176.461 175.900 0.018 0.000 1.183 108 Y CA -0.564 57.551 58.100 0.025 0.000 1.258 108 Y CB 0.158 38.635 38.460 0.028 0.000 1.108 108 Y HN 0.160 nan 8.280 nan 0.000 0.521 109 D N 1.033 121.516 120.400 0.138 0.000 2.810 109 D HA -0.217 4.423 4.640 0.000 0.000 0.224 109 D C -0.380 175.973 176.300 0.088 0.000 1.222 109 D CA 0.986 55.037 54.000 0.084 0.000 0.698 109 D CB -0.858 39.986 40.800 0.073 0.000 0.961 109 D HN 0.156 nan 8.370 nan 0.000 0.403 110 S N -0.145 115.607 115.700 0.087 0.000 2.949 110 S HA 0.160 4.630 4.470 0.000 0.000 0.246 110 S C 1.506 176.125 174.600 0.033 0.000 0.899 110 S CA -0.107 58.134 58.200 0.070 0.000 1.091 110 S CB -0.239 63.008 63.200 0.078 0.000 1.199 110 S HN 0.525 nan 8.310 nan 0.000 0.507 111 I N -1.005 119.548 120.570 -0.027 0.000 2.335 111 I HA -0.093 4.077 4.170 0.000 0.000 0.251 111 I C 1.458 177.471 176.117 -0.174 0.000 1.129 111 I CA 1.564 62.784 61.300 -0.134 0.000 1.402 111 I CB -0.370 37.473 38.000 -0.261 0.000 1.069 111 I HN 0.291 nan 8.210 nan 0.000 0.424 112 H N 0.817 119.894 119.070 0.013 0.000 2.555 112 H HA 0.264 4.820 4.556 0.000 0.000 0.283 112 H C 2.067 177.396 175.328 0.002 0.000 1.037 112 H CA 0.219 56.270 56.048 0.005 0.000 1.169 112 H CB 0.419 30.183 29.762 0.003 0.000 1.375 112 H HN 0.296 nan 8.280 nan 0.000 0.582 113 V N 0.565 120.520 119.914 0.069 0.000 2.720 113 V HA -0.119 4.001 4.120 0.000 0.000 0.256 113 V C 1.244 177.352 176.094 0.024 0.000 1.082 113 V CA 1.283 63.607 62.300 0.039 0.000 1.101 113 V CB -0.029 31.809 31.823 0.025 0.000 0.693 113 V HN 0.240 nan 8.190 nan 0.000 0.479 114 I N -0.795 119.785 120.570 0.017 0.000 2.846 114 I HA 0.258 4.428 4.170 0.000 0.000 0.307 114 I C 0.102 176.233 176.117 0.024 0.000 1.053 114 I CA -0.616 60.685 61.300 0.003 0.000 1.050 114 I CB 2.185 40.174 38.000 -0.019 0.000 1.239 114 I HN 0.042 nan 8.210 nan 0.000 0.439 115 N N 2.674 121.386 118.700 0.020 0.000 2.405 115 N HA 0.070 4.810 4.740 0.000 0.000 0.260 115 N C 0.652 176.183 175.510 0.036 0.000 1.152 115 N CA -0.148 52.928 53.050 0.042 0.000 0.948 115 N CB 1.253 39.757 38.487 0.027 0.000 1.111 115 N HN 0.483 nan 8.380 nan 0.000 0.485 116 V N 3.625 123.575 119.914 0.060 0.000 2.591 116 V HA -0.100 4.020 4.120 0.000 0.000 0.249 116 V C 1.045 177.163 176.094 0.039 0.000 1.053 116 V CA 1.601 63.915 62.300 0.024 0.000 1.068 116 V CB -0.247 31.571 31.823 -0.009 0.000 0.689 116 V HN 0.733 nan 8.190 nan 0.000 0.462 117 D N -0.004 120.430 120.400 0.056 0.000 2.219 117 D HA -0.141 4.499 4.640 0.000 0.000 0.205 117 D C 2.017 178.344 176.300 0.044 0.000 0.970 117 D CA 1.017 55.045 54.000 0.046 0.000 0.851 117 D CB -0.028 40.797 40.800 0.043 0.000 0.943 117 D HN 0.356 nan 8.370 nan 0.000 0.488 118 K N 0.699 121.124 120.400 0.042 0.000 2.031 118 K HA -0.038 4.282 4.320 0.000 0.000 0.205 118 K C 2.055 178.695 176.600 0.067 0.000 1.049 118 K CA 0.351 56.666 56.287 0.046 0.000 0.939 118 K CB -0.501 32.016 32.500 0.027 0.000 0.717 118 K HN -0.113 nan 8.250 nan 0.000 0.438 119 V N 0.325 120.267 119.914 0.045 0.000 2.278 119 V HA -0.314 3.806 4.120 0.000 0.000 0.251 119 V C 2.210 178.363 176.094 0.098 0.000 1.062 119 V CA 2.040 64.377 62.300 0.062 0.000 1.038 119 V CB -0.563 31.271 31.823 0.018 0.000 0.646 119 V HN 0.112 nan 8.190 nan 0.000 0.447 120 V N 0.071 120.022 119.914 0.062 0.000 2.287 120 V HA -0.287 3.834 4.120 0.000 0.000 0.248 120 V C 2.636 178.772 176.094 0.069 0.000 1.053 120 V CA 2.259 64.591 62.300 0.054 0.000 1.027 120 V CB -1.125 30.721 31.823 0.037 0.000 0.646 120 V HN 0.595 nan 8.190 nan 0.000 0.447 121 A N -1.530 121.336 122.820 0.076 0.000 1.968 121 A HA -0.191 4.129 4.320 0.000 0.000 0.217 121 A C 2.120 179.760 177.584 0.094 0.000 1.169 121 A CA 1.486 53.563 52.037 0.066 0.000 0.638 121 A CB -0.665 18.368 19.000 0.055 0.000 0.812 121 A HN 0.610 nan 8.150 nan 0.000 0.446 122 Y N 0.882 121.179 120.300 -0.006 0.000 2.128 122 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 122 Y C 2.356 178.250 175.900 -0.010 0.000 1.154 122 Y CA 2.013 60.102 58.100 -0.018 0.000 1.149 122 Y CB -0.427 38.017 38.460 -0.025 0.000 0.976 122 Y HN 0.078 nan 8.280 nan 0.000 0.505 123 V N 0.628 120.575 119.914 0.056 0.000 2.287 123 V HA -0.374 3.746 4.120 0.000 0.000 0.248 123 V C 2.249 178.367 176.094 0.039 0.000 1.053 123 V CA 2.373 64.661 62.300 -0.020 0.000 1.027 123 V CB -0.901 30.919 31.823 -0.004 0.000 0.646 123 V HN 0.449 nan 8.190 nan 0.000 0.447 124 Q N 0.589 120.419 119.800 0.049 0.000 2.197 124 Q HA -0.200 4.141 4.340 0.000 0.000 0.207 124 Q C 2.340 178.327 176.000 -0.021 0.000 0.984 124 Q CA 1.954 57.789 55.803 0.054 0.000 0.869 124 Q CB -0.330 28.424 28.738 0.027 0.000 0.906 124 Q HN 0.835 nan 8.270 nan 0.000 0.426 125 S N 0.026 115.671 115.700 -0.091 0.000 2.481 125 S HA 0.006 4.476 4.470 0.000 0.000 0.231 125 S C 1.669 176.157 174.600 -0.187 0.000 0.996 125 S CA 0.461 58.578 58.200 -0.138 0.000 0.942 125 S CB -0.071 63.031 63.200 -0.163 0.000 0.768 125 S HN 0.278 nan 8.310 nan 0.000 0.520 126 L N 0.481 121.596 121.223 -0.179 0.000 2.567 126 L HA 0.246 4.586 4.340 0.000 0.000 0.225 126 L C 1.299 178.041 176.870 -0.214 0.000 1.119 126 L CA 0.043 54.780 54.840 -0.172 0.000 0.871 126 L CB -0.209 41.746 42.059 -0.174 0.000 1.036 126 L HN 0.358 nan 8.230 nan 0.000 0.459 127 Q N 1.444 121.043 119.800 -0.335 0.000 2.304 127 Q HA 0.119 4.459 4.340 0.000 0.000 0.260 127 Q C -0.491 175.211 176.000 -0.498 0.000 0.965 127 Q CA -0.202 55.122 55.803 -0.799 0.000 0.898 127 Q CB 0.858 29.109 28.738 -0.811 0.000 1.196 127 Q HN -0.058 nan 8.270 nan 0.000 0.402 128 K N 2.611 122.698 120.400 -0.522 0.000 2.132 128 K HA 0.112 4.432 4.320 0.000 0.000 0.241 128 K C 0.775 177.204 176.600 -0.284 0.000 1.000 128 K CA -0.318 55.767 56.287 -0.337 0.000 0.911 128 K CB 0.609 32.928 32.500 -0.303 0.000 1.093 128 K HN 0.596 nan 8.250 nan 0.000 0.460 129 E N 0.932 121.016 120.200 -0.192 0.000 2.086 129 E HA -0.260 4.090 4.350 0.000 0.000 0.200 129 E C 0.851 177.379 176.600 -0.120 0.000 1.012 129 E CA 2.176 58.496 56.400 -0.133 0.000 0.812 129 E CB -0.162 29.480 29.700 -0.096 0.000 0.743 129 E HN 0.656 nan 8.360 nan 0.000 0.453 130 D N -1.298 119.020 120.400 -0.138 0.000 2.349 130 D HA 0.069 4.709 4.640 0.000 0.000 0.224 130 D C 1.314 177.566 176.300 -0.080 0.000 1.029 130 D CA 0.779 54.737 54.000 -0.070 0.000 0.879 130 D CB 0.242 41.029 40.800 -0.021 0.000 0.906 130 D HN 0.320 nan 8.370 nan 0.000 0.528 131 G N -0.079 108.598 108.800 -0.205 0.000 2.238 131 G HA2 -0.271 3.690 3.960 0.000 0.000 0.217 131 G HA3 -0.271 3.690 3.960 0.000 0.000 0.217 131 G C 0.528 175.171 174.900 -0.429 0.000 0.996 131 G CA 0.228 45.205 45.100 -0.205 0.000 0.632 131 G HN 0.735 nan 8.290 nan 0.000 0.503 132 S N -0.092 115.145 115.700 -0.772 0.000 2.606 132 S HA 0.707 5.177 4.470 0.000 0.000 0.257 132 S C -0.277 173.904 174.600 -0.700 0.000 1.327 132 S CA -0.057 57.578 58.200 -0.942 0.000 0.984 132 S CB 1.020 63.267 63.200 -1.589 0.000 0.941 132 S HN 0.552 nan 8.310 nan 0.000 0.576 133 F N -0.109 119.703 119.950 -0.231 0.000 2.529 133 F HA 0.658 5.186 4.527 0.000 0.000 0.320 133 F C 0.553 176.360 175.800 0.013 0.000 1.118 133 F CA -0.707 57.236 58.000 -0.096 0.000 0.915 133 F CB 1.727 40.719 39.000 -0.013 0.000 1.161 133 F HN 0.894 nan 8.300 nan 0.000 0.445 134 A N 1.483 124.348 122.820 0.075 0.000 2.286 134 A HA 0.548 4.868 4.320 0.000 0.000 0.286 134 A C 1.339 178.789 177.584 -0.223 0.000 1.097 134 A CA 0.102 52.164 52.037 0.042 0.000 0.821 134 A CB 0.343 19.309 19.000 -0.057 0.000 1.076 134 A HN 1.013 nan 8.150 nan 0.000 0.490 135 G N -0.239 108.185 108.800 -0.626 0.000 2.471 135 G HA2 0.275 4.235 3.960 0.000 0.000 0.219 135 G HA3 0.275 4.235 3.960 0.000 0.000 0.219 135 G C 0.196 174.426 174.900 -1.117 0.000 1.125 135 G CA 1.368 45.532 45.100 -1.561 0.000 0.775 135 G HN 1.108 nan 8.290 nan 0.000 0.548 136 D N -2.253 117.854 120.400 -0.487 0.000 2.827 136 D HA -0.049 4.592 4.640 0.000 0.000 0.336 136 D C 1.301 177.515 176.300 -0.142 0.000 1.374 136 D CA -0.310 53.549 54.000 -0.235 0.000 0.794 136 D CB -0.367 40.446 40.800 0.022 0.000 1.364 136 D HN 0.076 nan 8.370 nan 0.000 0.464 137 I N -2.437 118.038 120.570 -0.158 0.000 2.700 137 I HA -0.015 4.155 4.170 0.000 0.000 0.261 137 I C 0.836 176.735 176.117 -0.363 0.000 1.219 137 I CA 0.833 61.945 61.300 -0.314 0.000 1.463 137 I CB -1.177 36.523 38.000 -0.500 0.000 1.092 137 I HN 0.409 nan 8.210 nan 0.000 0.452 138 W N 1.975 123.273 121.300 -0.003 0.000 3.180 138 W HA 0.372 5.032 4.660 0.000 0.000 0.254 138 W C 1.938 178.468 176.519 0.017 0.000 1.318 138 W CA 1.116 58.471 57.345 0.018 0.000 1.608 138 W CB -0.085 29.402 29.460 0.045 0.000 1.124 138 W HN 0.490 nan 8.180 nan 0.000 0.694 139 G N 0.091 108.971 108.800 0.133 0.000 2.213 139 G HA2 -0.322 3.638 3.960 0.000 0.000 0.236 139 G HA3 -0.322 3.638 3.960 0.000 0.000 0.236 139 G C 0.253 175.231 174.900 0.131 0.000 0.991 139 G CA -0.040 45.114 45.100 0.089 0.000 0.629 139 G HN 0.306 nan 8.290 nan 0.000 0.517 140 E N 1.339 121.664 120.200 0.207 0.000 2.480 140 E HA 0.267 4.617 4.350 0.000 0.000 0.258 140 E C 0.223 177.022 176.600 0.333 0.000 0.984 140 E CA -0.263 56.298 56.400 0.268 0.000 0.930 140 E CB 0.110 30.031 29.700 0.369 0.000 0.936 140 E HN 0.228 nan 8.360 nan 0.000 0.466 141 I N 4.680 125.389 120.570 0.232 0.000 2.331 141 I HA 0.305 4.475 4.170 0.000 0.000 0.292 141 I C 0.044 176.251 176.117 0.151 0.000 0.998 141 I CA -0.090 61.327 61.300 0.195 0.000 1.267 141 I CB 1.112 39.152 38.000 0.067 0.000 1.386 141 I HN 0.615 nan 8.210 nan 0.000 0.476 142 D N 3.345 123.787 120.400 0.069 0.000 2.837 142 D HA 0.123 4.763 4.640 0.000 0.000 0.220 142 D C 0.846 177.071 176.300 -0.125 0.000 1.236 142 D CA -0.212 53.664 54.000 -0.206 0.000 0.838 142 D CB 2.340 42.659 40.800 -0.802 0.000 1.647 142 D HN 0.631 nan 8.370 nan 0.000 0.486 143 T N 0.774 115.307 114.554 -0.036 0.000 2.897 143 T HA -0.188 4.162 4.350 0.000 0.000 0.271 143 T C 1.700 176.329 174.700 -0.119 0.000 1.084 143 T CA 0.984 63.054 62.100 -0.050 0.000 1.123 143 T CB -0.021 68.760 68.868 -0.145 0.000 0.865 143 T HN 0.473 nan 8.240 nan 0.000 0.496 144 R N 0.427 120.782 120.500 -0.242 0.000 2.159 144 R HA -0.043 4.297 4.340 0.000 0.000 0.237 144 R C 1.702 178.049 176.300 0.078 0.000 1.131 144 R CA 1.404 57.421 56.100 -0.138 0.000 0.982 144 R CB -0.494 29.656 30.300 -0.249 0.000 0.868 144 R HN 0.596 nan 8.270 nan 0.000 0.453 145 F N -0.674 119.336 119.950 0.099 0.000 2.569 145 F HA 0.074 4.601 4.527 0.000 0.000 0.295 145 F C 2.419 178.176 175.800 -0.071 0.000 1.115 145 F CA -0.188 57.836 58.000 0.040 0.000 1.450 145 F CB 0.158 39.202 39.000 0.073 0.000 1.107 145 F HN 0.025 nan 8.300 nan 0.000 0.563 146 S N 1.070 116.861 115.700 0.152 0.000 2.353 146 S HA -0.226 4.244 4.470 0.000 0.000 0.222 146 S C 1.755 176.397 174.600 0.071 0.000 1.035 146 S CA 1.452 59.673 58.200 0.036 0.000 1.025 146 S CB -0.639 62.481 63.200 -0.135 0.000 0.902 146 S HN 0.366 nan 8.310 nan 0.000 0.440 147 F N 2.008 121.965 119.950 0.011 0.000 2.025 147 F HA -0.240 4.288 4.527 0.000 0.000 0.297 147 F C 2.583 178.376 175.800 -0.013 0.000 1.132 147 F CA 1.075 59.093 58.000 0.030 0.000 1.191 147 F CB -1.111 37.836 39.000 -0.088 0.000 0.963 147 F HN 0.208 nan 8.300 nan 0.000 0.481 148 C N 0.645 119.825 119.300 -0.200 0.000 2.403 148 C HA -0.181 4.279 4.460 0.000 0.000 0.277 148 C C 3.143 177.945 174.990 -0.314 0.000 1.248 148 C CA 1.191 60.065 59.018 -0.239 0.000 1.762 148 C CB -1.964 25.809 27.740 0.054 0.000 2.014 148 C HN 0.680 nan 8.230 nan 0.000 0.486 149 A N -0.508 122.077 122.820 -0.392 0.000 1.845 149 A HA -0.140 4.180 4.320 0.000 0.000 0.215 149 A C 2.367 179.721 177.584 -0.385 0.000 1.195 149 A CA 2.100 53.806 52.037 -0.551 0.000 0.616 149 A CB -1.035 17.140 19.000 -1.375 0.000 0.832 149 A HN 0.337 nan 8.150 nan 0.000 0.443 150 V N -0.294 119.419 119.914 -0.335 0.000 2.515 150 V HA -0.145 3.975 4.120 0.000 0.000 0.250 150 V C 2.922 178.873 176.094 -0.238 0.000 1.058 150 V CA 1.876 64.037 62.300 -0.231 0.000 1.064 150 V CB -0.699 31.012 31.823 -0.186 0.000 0.675 150 V HN 0.624 nan 8.190 nan 0.000 0.461 151 A N -0.776 121.806 122.820 -0.396 0.000 1.877 151 A HA -0.224 4.096 4.320 0.000 0.000 0.216 151 A C 2.366 179.932 177.584 -0.030 0.000 1.186 151 A CA 2.627 54.522 52.037 -0.238 0.000 0.620 151 A CB -1.099 17.527 19.000 -0.623 0.000 0.822 151 A HN 0.508 nan 8.150 nan 0.000 0.443 152 T N 0.637 115.112 114.554 -0.132 0.000 2.652 152 T HA -0.122 4.228 4.350 0.000 0.000 0.267 152 T C 1.841 176.506 174.700 -0.057 0.000 1.039 152 T CA 1.596 63.650 62.100 -0.076 0.000 1.153 152 T CB -0.454 68.364 68.868 -0.083 0.000 0.863 152 T HN 0.356 nan 8.240 nan 0.000 0.428 153 L N 0.743 121.923 121.223 -0.071 0.000 2.083 153 L HA -0.094 4.246 4.340 0.000 0.000 0.209 153 L C 3.078 179.928 176.870 -0.033 0.000 1.083 153 L CA 1.130 55.942 54.840 -0.047 0.000 0.752 153 L CB -0.754 41.274 42.059 -0.051 0.000 0.899 153 L HN 0.256 nan 8.230 nan 0.000 0.433 154 A N 0.322 123.132 122.820 -0.016 0.000 1.908 154 A HA -0.195 4.125 4.320 0.000 0.000 0.218 154 A C 2.204 179.763 177.584 -0.042 0.000 1.181 154 A CA 1.573 53.617 52.037 0.012 0.000 0.627 154 A CB -0.751 18.327 19.000 0.130 0.000 0.818 154 A HN 0.399 nan 8.150 nan 0.000 0.445 155 L N -0.938 120.241 121.223 -0.073 0.000 2.376 155 L HA -0.032 4.309 4.340 0.000 0.000 0.219 155 L C 1.842 178.654 176.870 -0.098 0.000 1.133 155 L CA 0.486 55.240 54.840 -0.144 0.000 0.816 155 L CB -0.223 41.744 42.059 -0.154 0.000 0.933 155 L HN 0.361 nan 8.230 nan 0.000 0.449 156 L N -1.110 120.073 121.223 -0.067 0.000 2.616 156 L HA 0.266 4.606 4.340 0.000 0.000 0.229 156 L C 1.416 178.266 176.870 -0.034 0.000 1.110 156 L CA 0.461 55.267 54.840 -0.056 0.000 0.884 156 L CB 0.008 42.039 42.059 -0.046 0.000 1.115 156 L HN 0.373 nan 8.230 nan 0.000 0.481 157 G N 0.982 109.764 108.800 -0.031 0.000 2.136 157 G HA2 -0.288 3.672 3.960 0.000 0.000 0.242 157 G HA3 -0.288 3.672 3.960 0.000 0.000 0.242 157 G C 0.502 175.398 174.900 -0.007 0.000 0.989 157 G CA 0.090 45.180 45.100 -0.017 0.000 0.682 157 G HN 0.351 nan 8.290 nan 0.000 0.522 158 K N -0.232 120.163 120.400 -0.009 0.000 3.084 158 K HA 0.326 4.647 4.320 0.000 0.000 0.210 158 K C 1.592 178.191 176.600 -0.000 0.000 1.137 158 K CA -0.582 55.705 56.287 -0.000 0.000 1.010 158 K CB 0.223 32.727 32.500 0.006 0.000 0.806 158 K HN 0.189 nan 8.250 nan 0.000 0.460 159 L N 1.055 122.274 121.223 -0.007 0.000 2.265 159 L HA -0.112 4.228 4.340 0.000 0.000 0.215 159 L C 1.205 178.080 176.870 0.008 0.000 1.117 159 L CA 1.944 56.778 54.840 -0.012 0.000 0.782 159 L CB -0.120 41.922 42.059 -0.027 0.000 0.914 159 L HN 0.220 nan 8.230 nan 0.000 0.441 160 D N -0.126 120.280 120.400 0.010 0.000 2.309 160 D HA -0.086 4.554 4.640 0.000 0.000 0.212 160 D C 2.044 178.360 176.300 0.028 0.000 0.968 160 D CA 1.118 55.129 54.000 0.018 0.000 0.882 160 D CB 0.165 40.974 40.800 0.014 0.000 0.918 160 D HN 0.522 nan 8.370 nan 0.000 0.503 161 A N 0.458 123.297 122.820 0.031 0.000 2.119 161 A HA 0.067 4.387 4.320 0.000 0.000 0.217 161 A C 1.291 178.908 177.584 0.055 0.000 1.153 161 A CA 0.299 52.358 52.037 0.037 0.000 0.692 161 A CB -0.343 18.677 19.000 0.033 0.000 0.799 161 A HN 0.339 nan 8.150 nan 0.000 0.458 162 I N -4.685 115.934 120.570 0.082 0.000 3.100 162 I HA 0.359 4.529 4.170 0.000 0.000 0.312 162 I C 0.004 176.179 176.117 0.096 0.000 1.063 162 I CA -1.178 60.196 61.300 0.123 0.000 1.031 162 I CB 1.386 39.553 38.000 0.279 0.000 1.243 162 I HN 0.044 nan 8.210 nan 0.000 0.483 163 N N 1.236 119.985 118.700 0.081 0.000 2.508 163 N HA 0.198 4.938 4.740 0.000 0.000 0.253 163 N C 0.667 176.244 175.510 0.112 0.000 1.145 163 N CA -0.338 52.748 53.050 0.060 0.000 0.973 163 N CB 0.724 39.220 38.487 0.014 0.000 1.305 163 N HN 0.576 nan 8.380 nan 0.000 0.506 164 V N 3.004 122.980 119.914 0.105 0.000 2.407 164 V HA -0.225 3.895 4.120 0.000 0.000 0.248 164 V C 2.240 178.415 176.094 0.136 0.000 1.055 164 V CA 1.751 64.126 62.300 0.124 0.000 1.049 164 V CB -0.703 31.155 31.823 0.059 0.000 0.662 164 V HN 0.752 nan 8.190 nan 0.000 0.455 165 E N 0.652 120.910 120.200 0.097 0.000 2.038 165 E HA -0.321 4.030 4.350 0.000 0.000 0.195 165 E C 2.204 178.874 176.600 0.116 0.000 1.000 165 E CA 1.791 58.248 56.400 0.096 0.000 0.803 165 E CB -0.106 29.633 29.700 0.065 0.000 0.750 165 E HN 0.405 nan 8.360 nan 0.000 0.448 166 K N 0.396 120.853 120.400 0.095 0.000 2.097 166 K HA -0.032 4.288 4.320 0.000 0.000 0.205 166 K C 1.818 178.503 176.600 0.142 0.000 1.050 166 K CA 1.277 57.615 56.287 0.086 0.000 0.938 166 K CB -0.533 31.982 32.500 0.025 0.000 0.718 166 K HN 0.272 nan 8.250 nan 0.000 0.442 167 A N 0.723 123.661 122.820 0.197 0.000 1.892 167 A HA -0.206 4.114 4.320 0.000 0.000 0.218 167 A C 2.226 180.032 177.584 0.370 0.000 1.188 167 A CA 1.978 54.218 52.037 0.339 0.000 0.631 167 A CB -0.798 18.540 19.000 0.565 0.000 0.822 167 A HN 0.323 nan 8.150 nan 0.000 0.447 168 I N -0.843 119.978 120.570 0.418 0.000 2.226 168 I HA -0.264 3.906 4.170 0.000 0.000 0.245 168 I C 2.599 178.840 176.117 0.205 0.000 1.100 168 I CA 1.817 63.358 61.300 0.402 0.000 1.374 168 I CB -0.286 37.870 38.000 0.260 0.000 1.057 168 I HN 0.542 nan 8.210 nan 0.000 0.413 169 E N 0.714 121.012 120.200 0.163 0.000 2.077 169 E HA -0.274 4.077 4.350 0.000 0.000 0.193 169 E C 2.202 178.854 176.600 0.086 0.000 0.989 169 E CA 1.284 57.748 56.400 0.107 0.000 0.800 169 E CB -0.111 29.650 29.700 0.102 0.000 0.746 169 E HN 0.405 nan 8.360 nan 0.000 0.452 170 F N 0.724 120.664 119.950 -0.016 0.000 2.126 170 F HA -0.209 4.318 4.527 0.000 0.000 0.299 170 F C 2.010 177.758 175.800 -0.087 0.000 1.096 170 F CA 1.220 59.187 58.000 -0.054 0.000 1.255 170 F CB -0.264 38.692 39.000 -0.073 0.000 0.997 170 F HN -0.114 nan 8.300 nan 0.000 0.479 171 V N 0.739 120.530 119.914 -0.205 0.000 2.307 171 V HA -0.301 3.819 4.120 0.000 0.000 0.245 171 V C 2.454 178.466 176.094 -0.138 0.000 1.045 171 V CA 1.980 64.076 62.300 -0.339 0.000 1.024 171 V CB -0.709 30.763 31.823 -0.585 0.000 0.651 171 V HN 0.359 nan 8.190 nan 0.000 0.449 172 L N 0.981 122.190 121.223 -0.024 0.000 2.191 172 L HA -0.137 4.203 4.340 0.000 0.000 0.212 172 L C 2.495 179.334 176.870 -0.051 0.000 1.103 172 L CA 1.703 56.579 54.840 0.060 0.000 0.769 172 L CB -0.787 41.304 42.059 0.053 0.000 0.908 172 L HN 0.546 nan 8.230 nan 0.000 0.438 173 S N -1.907 113.696 115.700 -0.162 0.000 2.603 173 S HA -0.085 4.386 4.470 0.000 0.000 0.229 173 S C 1.327 175.771 174.600 -0.261 0.000 0.972 173 S CA 0.197 58.278 58.200 -0.198 0.000 0.935 173 S CB -0.687 62.387 63.200 -0.210 0.000 0.769 173 S HN 0.431 nan 8.310 nan 0.000 0.536 174 C N 1.916 121.056 119.300 -0.266 0.000 2.492 174 C HA 0.510 4.970 4.460 0.000 0.000 0.317 174 C C 0.467 175.364 174.990 -0.154 0.000 1.347 174 C CA -0.851 58.045 59.018 -0.203 0.000 1.759 174 C CB -1.933 25.666 27.740 -0.235 0.000 2.127 174 C HN 0.696 nan 8.230 nan 0.000 0.579 175 M N 1.986 121.421 119.600 -0.275 0.000 2.233 175 M HA 0.310 4.790 4.480 0.000 0.000 0.355 175 M C -0.422 175.618 176.300 -0.435 0.000 1.191 175 M CA 0.414 55.317 55.300 -0.661 0.000 1.101 175 M CB 0.542 32.749 32.600 -0.656 0.000 1.592 175 M HN 0.392 nan 8.290 nan 0.000 0.461 176 N N 1.847 120.257 118.700 -0.483 0.000 2.530 176 N HA 0.360 5.100 4.740 0.000 0.000 0.283 176 N C 0.196 175.555 175.510 -0.252 0.000 1.238 176 N CA -0.711 52.174 53.050 -0.276 0.000 0.971 176 N CB 0.724 39.038 38.487 -0.288 0.000 1.195 176 N HN 0.691 nan 8.380 nan 0.000 0.583 177 F N 0.069 119.912 119.950 -0.179 0.000 2.365 177 F HA 0.035 4.562 4.527 0.000 0.000 0.300 177 F C 1.042 176.786 175.800 -0.094 0.000 1.090 177 F CA 0.599 58.531 58.000 -0.113 0.000 1.408 177 F CB -0.286 38.674 39.000 -0.066 0.000 1.060 177 F HN 0.393 nan 8.300 nan 0.000 0.534 178 D N -0.778 118.817 120.400 -1.342 0.000 2.328 178 D HA 0.226 4.866 4.640 0.000 0.000 0.221 178 D C 1.873 177.822 176.300 -0.585 0.000 1.072 178 D CA 0.446 53.852 54.000 -0.990 0.000 0.850 178 D CB -0.067 40.018 40.800 -1.191 0.000 0.922 178 D HN 0.457 nan 8.370 nan 0.000 0.516 179 G N -0.951 107.535 108.800 -0.522 0.000 2.199 179 G HA2 -0.182 3.778 3.960 0.000 0.000 0.254 179 G HA3 -0.182 3.778 3.960 0.000 0.000 0.254 179 G C 0.669 175.200 174.900 -0.614 0.000 0.982 179 G CA 0.093 44.935 45.100 -0.429 0.000 0.632 179 G HN 0.816 nan 8.290 nan 0.000 0.529 180 G N -0.909 107.413 108.800 -0.797 0.000 2.532 180 G HA2 0.698 4.658 3.960 0.000 0.000 0.291 180 G HA3 0.698 4.658 3.960 0.000 0.000 0.291 180 G C -0.656 173.717 174.900 -0.877 0.000 1.349 180 G CA -0.919 43.709 45.100 -0.786 0.000 1.038 180 G HN 0.370 nan 8.290 nan 0.000 0.518 181 F N -1.349 118.343 119.950 -0.430 0.000 2.563 181 F HA 0.647 5.174 4.527 0.000 0.000 0.316 181 F C 0.761 176.352 175.800 -0.348 0.000 1.076 181 F CA -0.482 57.310 58.000 -0.346 0.000 0.921 181 F CB 2.318 41.127 39.000 -0.318 0.000 1.209 181 F HN 0.693 nan 8.300 nan 0.000 0.462 182 G N -0.494 108.250 108.800 -0.093 0.000 2.601 182 G HA2 0.399 4.359 3.960 0.000 0.000 0.317 182 G HA3 0.399 4.359 3.960 0.000 0.000 0.317 182 G C 0.727 175.572 174.900 -0.091 0.000 1.246 182 G CA -0.258 44.780 45.100 -0.103 0.000 1.012 182 G HN 1.035 nan 8.290 nan 0.000 0.494 183 C N -1.692 117.576 119.300 -0.053 0.000 2.435 183 C HA 0.377 4.837 4.460 0.000 0.000 0.279 183 C C 1.156 176.149 174.990 0.005 0.000 1.321 183 C CA 0.028 59.020 59.018 -0.044 0.000 1.752 183 C CB -1.091 26.644 27.740 -0.008 0.000 1.959 183 C HN 0.562 nan 8.230 nan 0.000 0.500 184 R N -0.551 119.956 120.500 0.011 0.000 2.885 184 R HA 0.491 4.831 4.340 0.000 0.000 0.260 184 R C -3.073 173.192 176.300 -0.058 0.000 1.107 184 R CA -1.902 54.226 56.100 0.048 0.000 0.978 184 R CB 0.579 30.951 30.300 0.122 0.000 1.227 184 R HN -0.091 nan 8.270 nan 0.000 0.473 185 P HA 0.061 nan 4.420 nan 0.000 0.271 185 P C 0.212 177.483 177.300 -0.048 0.000 1.220 185 P CA 1.015 64.049 63.100 -0.110 0.000 0.768 185 P CB 0.682 32.329 31.700 -0.088 0.000 0.848 186 G N 1.839 110.605 108.800 -0.055 0.000 2.184 186 G HA2 -0.243 3.718 3.960 0.000 0.000 0.264 186 G HA3 -0.243 3.718 3.960 0.000 0.000 0.264 186 G C 0.392 175.284 174.900 -0.012 0.000 0.975 186 G CA 0.083 45.167 45.100 -0.027 0.000 0.642 186 G HN 0.552 nan 8.290 nan 0.000 0.536 187 S N 0.389 116.079 115.700 -0.016 0.000 2.601 187 S HA 0.490 4.960 4.470 0.000 0.000 0.271 187 S C 0.358 174.959 174.600 0.002 0.000 1.305 187 S CA -0.538 57.666 58.200 0.008 0.000 1.022 187 S CB 1.548 64.761 63.200 0.022 0.000 0.940 187 S HN 0.475 nan 8.310 nan 0.000 0.525 188 E N 1.065 121.287 120.200 0.038 0.000 2.390 188 E HA 0.160 4.511 4.350 0.000 0.000 0.261 188 E C -0.295 176.315 176.600 0.017 0.000 1.076 188 E CA -0.074 56.354 56.400 0.046 0.000 0.905 188 E CB 0.544 30.299 29.700 0.091 0.000 0.984 188 E HN 0.419 nan 8.360 nan 0.000 0.427 189 S N 1.413 117.048 115.700 -0.108 0.000 2.562 189 S HA 0.170 4.640 4.470 0.000 0.000 0.281 189 S C -0.628 173.928 174.600 -0.074 0.000 1.333 189 S CA -0.161 57.858 58.200 -0.302 0.000 1.052 189 S CB 0.057 62.791 63.200 -0.776 0.000 0.884 189 S HN 0.513 nan 8.310 nan 0.000 0.506 190 H N -1.795 117.185 119.070 -0.151 0.000 3.042 190 H HA 0.664 5.220 4.556 0.000 0.000 0.346 190 H C 0.428 175.755 175.328 -0.000 0.000 1.294 190 H CA -0.511 55.547 56.048 0.017 0.000 1.141 190 H CB 0.430 30.175 29.762 -0.028 0.000 1.872 190 H HN 0.396 nan 8.280 nan 0.000 0.541 191 A N 1.475 124.416 122.820 0.201 0.000 1.883 191 A HA -0.093 4.227 4.320 0.000 0.000 0.217 191 A C 2.346 179.942 177.584 0.021 0.000 1.186 191 A CA 2.196 54.338 52.037 0.175 0.000 0.624 191 A CB -1.615 17.556 19.000 0.285 0.000 0.822 191 A HN 0.966 nan 8.150 nan 0.000 0.444 192 G N -1.349 107.458 108.800 0.011 0.000 2.442 192 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 192 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 192 G C 1.612 176.213 174.900 -0.499 0.000 1.141 192 G CA 1.322 46.083 45.100 -0.565 0.000 0.763 192 G HN 0.545 nan 8.290 nan 0.000 0.554 193 Q N -0.199 119.235 119.800 -0.610 0.000 2.230 193 Q HA 0.160 4.501 4.340 0.000 0.000 0.202 193 Q C 2.372 178.132 176.000 -0.400 0.000 0.963 193 Q CA 0.739 56.191 55.803 -0.585 0.000 0.866 193 Q CB -0.175 28.016 28.738 -0.912 0.000 0.931 193 Q HN 0.600 nan 8.270 nan 0.000 0.452 194 I N -0.938 119.445 120.570 -0.313 0.000 2.480 194 I HA -0.184 3.986 4.170 0.000 0.000 0.251 194 I C 1.726 177.701 176.117 -0.236 0.000 1.124 194 I CA 0.613 61.805 61.300 -0.181 0.000 1.444 194 I CB -0.243 37.695 38.000 -0.103 0.000 1.098 194 I HN 0.240 nan 8.210 nan 0.000 0.428 195 Y N 1.307 121.398 120.300 -0.348 0.000 2.097 195 Y HA -0.370 4.180 4.550 0.000 0.000 0.282 195 Y C 2.691 178.234 175.900 -0.596 0.000 1.152 195 Y CA 1.657 59.506 58.100 -0.419 0.000 1.136 195 Y CB -0.709 37.499 38.460 -0.420 0.000 0.975 195 Y HN 0.173 nan 8.280 nan 0.000 0.498 196 C N -0.346 118.484 119.300 -0.784 0.000 2.413 196 C HA -0.251 4.209 4.460 0.000 0.000 0.276 196 C C 3.021 177.625 174.990 -0.643 0.000 1.236 196 C CA 1.250 59.700 59.018 -0.947 0.000 1.735 196 C CB -1.724 25.754 27.740 -0.437 0.000 2.031 196 C HN 0.817 nan 8.230 nan 0.000 0.474 197 C N 0.794 119.749 119.300 -0.575 0.000 2.466 197 C HA -0.078 4.382 4.460 0.000 0.000 0.278 197 C C 2.970 177.634 174.990 -0.544 0.000 1.288 197 C CA 1.840 60.456 59.018 -0.671 0.000 1.722 197 C CB -1.644 25.335 27.740 -1.268 0.000 2.017 197 C HN 0.824 nan 8.230 nan 0.000 0.488 198 T N -0.865 113.385 114.554 -0.508 0.000 2.904 198 T HA 0.028 4.378 4.350 0.000 0.000 0.267 198 T C 1.941 176.466 174.700 -0.290 0.000 1.059 198 T CA 1.621 63.525 62.100 -0.327 0.000 1.137 198 T CB -0.676 68.059 68.868 -0.221 0.000 0.879 198 T HN 0.495 nan 8.240 nan 0.000 0.467 199 G N 0.790 109.313 108.800 -0.463 0.000 2.433 199 G HA2 -0.141 3.819 3.960 0.000 0.000 0.216 199 G HA3 -0.141 3.819 3.960 0.000 0.000 0.216 199 G C 1.222 176.095 174.900 -0.045 0.000 1.186 199 G CA 0.731 45.610 45.100 -0.369 0.000 0.779 199 G HN 0.467 nan 8.290 nan 0.000 0.543 200 F N 0.853 120.763 119.950 -0.066 0.000 2.063 200 F HA -0.142 4.385 4.527 0.000 0.000 0.298 200 F C 2.315 178.053 175.800 -0.104 0.000 1.109 200 F CA 1.334 59.318 58.000 -0.027 0.000 1.212 200 F CB -0.151 38.804 39.000 -0.074 0.000 0.973 200 F HN 0.020 nan 8.300 nan 0.000 0.480 201 L N 0.206 121.416 121.223 -0.023 0.000 2.201 201 L HA -0.056 4.284 4.340 0.000 0.000 0.212 201 L C 2.691 179.467 176.870 -0.156 0.000 1.105 201 L CA 1.554 56.339 54.840 -0.093 0.000 0.775 201 L CB -2.304 39.726 42.059 -0.049 0.000 0.913 201 L HN 0.325 nan 8.230 nan 0.000 0.440 202 A N 0.161 122.896 122.820 -0.142 0.000 1.845 202 A HA -0.191 4.129 4.320 0.000 0.000 0.215 202 A C 2.313 179.826 177.584 -0.118 0.000 1.195 202 A CA 1.631 53.603 52.037 -0.108 0.000 0.616 202 A CB -0.688 18.259 19.000 -0.089 0.000 0.832 202 A HN 0.323 nan 8.150 nan 0.000 0.443 203 I N 0.420 120.888 120.570 -0.169 0.000 2.248 203 I HA -0.236 3.934 4.170 0.000 0.000 0.248 203 I C 2.082 178.078 176.117 -0.202 0.000 1.107 203 I CA 1.848 63.052 61.300 -0.160 0.000 1.373 203 I CB -0.408 37.464 38.000 -0.214 0.000 1.055 203 I HN 0.539 nan 8.210 nan 0.000 0.418 204 T N -3.155 111.206 114.554 -0.322 0.000 3.186 204 T HA 0.214 4.564 4.350 0.000 0.000 0.257 204 T C 0.671 175.293 174.700 -0.129 0.000 1.029 204 T CA 0.118 62.052 62.100 -0.277 0.000 0.916 204 T CB 0.097 68.676 68.868 -0.482 0.000 1.041 204 T HN 0.220 nan 8.240 nan 0.000 0.562 205 S N 1.701 117.351 115.700 -0.083 0.000 3.706 205 S HA -0.139 4.331 4.470 0.000 0.000 0.363 205 S C 0.638 175.261 174.600 0.039 0.000 0.999 205 S CA 0.414 58.611 58.200 -0.006 0.000 1.143 205 S CB -1.412 61.800 63.200 0.020 0.000 0.902 205 S HN 0.625 nan 8.310 nan 0.000 0.476 206 Q N -0.588 119.186 119.800 -0.044 0.000 2.155 206 Q HA 0.316 4.656 4.340 0.000 0.000 0.220 206 Q C 1.359 177.196 176.000 -0.272 0.000 0.819 206 Q CA -0.464 55.247 55.803 -0.153 0.000 1.032 206 Q CB 0.145 28.817 28.738 -0.109 0.000 1.151 206 Q HN 0.426 nan 8.270 nan 0.000 0.487 207 L N 1.169 122.327 121.223 -0.108 0.000 2.265 207 L HA -0.166 4.174 4.340 0.000 0.000 0.215 207 L C 2.299 179.121 176.870 -0.080 0.000 1.117 207 L CA 1.689 56.483 54.840 -0.077 0.000 0.782 207 L CB -1.245 40.800 42.059 -0.023 0.000 0.914 207 L HN 0.480 nan 8.230 nan 0.000 0.441 208 H N -1.592 117.484 119.070 0.009 0.000 2.545 208 H HA -0.144 4.413 4.556 0.000 0.000 0.282 208 H C 1.729 177.072 175.328 0.024 0.000 1.020 208 H CA 0.861 56.917 56.048 0.013 0.000 1.243 208 H CB 0.069 29.836 29.762 0.009 0.000 1.377 208 H HN 0.276 nan 8.280 nan 0.000 0.581 209 Q N 1.212 120.750 119.800 -0.436 0.000 2.311 209 Q HA 0.118 4.458 4.340 0.000 0.000 0.203 209 Q C 0.453 176.426 176.000 -0.045 0.000 0.954 209 Q CA 0.112 55.799 55.803 -0.194 0.000 0.885 209 Q CB 0.411 29.014 28.738 -0.225 0.000 0.963 209 Q HN 0.255 nan 8.270 nan 0.000 0.471 210 V N 2.413 122.317 119.914 -0.016 0.000 2.637 210 V HA 0.012 4.132 4.120 0.000 0.000 0.296 210 V C 0.293 176.394 176.094 0.012 0.000 1.046 210 V CA -0.386 61.936 62.300 0.036 0.000 1.066 210 V CB 0.978 32.829 31.823 0.047 0.000 0.968 210 V HN 0.277 nan 8.190 nan 0.000 0.483 211 N N 3.513 122.211 118.700 -0.003 0.000 2.555 211 N HA 0.096 4.836 4.740 0.000 0.000 0.244 211 N C 1.117 176.650 175.510 0.038 0.000 1.114 211 N CA 0.310 53.368 53.050 0.013 0.000 0.963 211 N CB 0.998 39.483 38.487 -0.003 0.000 1.276 211 N HN 0.662 nan 8.380 nan 0.000 0.510 212 S N 2.336 118.057 115.700 0.033 0.000 2.359 212 S HA -0.132 4.338 4.470 0.000 0.000 0.224 212 S C 0.980 175.629 174.600 0.081 0.000 1.035 212 S CA 1.037 59.247 58.200 0.016 0.000 1.018 212 S CB 0.035 63.211 63.200 -0.040 0.000 0.876 212 S HN 0.606 nan 8.310 nan 0.000 0.448 213 D N 1.034 121.522 120.400 0.147 0.000 2.104 213 D HA -0.080 4.560 4.640 0.000 0.000 0.194 213 D C 1.925 178.476 176.300 0.417 0.000 0.994 213 D CA 0.736 54.967 54.000 0.385 0.000 0.830 213 D CB -0.474 40.523 40.800 0.329 0.000 0.959 213 D HN 0.241 nan 8.370 nan 0.000 0.452 214 L N 0.443 121.813 121.223 0.244 0.000 2.027 214 L HA -0.065 4.275 4.340 0.000 0.000 0.206 214 L C 2.076 179.133 176.870 0.312 0.000 1.074 214 L CA 1.187 56.185 54.840 0.262 0.000 0.745 214 L CB -0.544 41.593 42.059 0.130 0.000 0.898 214 L HN -0.002 nan 8.230 nan 0.000 0.433 215 L N -0.319 121.014 121.223 0.183 0.000 2.141 215 L HA 0.077 4.417 4.340 0.000 0.000 0.209 215 L C 2.194 179.220 176.870 0.260 0.000 1.094 215 L CA 1.979 56.895 54.840 0.127 0.000 0.763 215 L CB -1.324 40.748 42.059 0.022 0.000 0.908 215 L HN 0.276 nan 8.230 nan 0.000 0.437 216 G N -1.484 107.513 108.800 0.328 0.000 2.421 216 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 216 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 216 G C 1.286 176.566 174.900 0.634 0.000 1.143 216 G CA 0.541 45.874 45.100 0.388 0.000 0.784 216 G HN 0.589 nan 8.290 nan 0.000 0.541 217 W N 0.700 122.265 121.300 0.442 0.000 2.354 217 W HA -0.061 4.599 4.660 0.000 0.000 0.315 217 W C 2.248 178.852 176.519 0.141 0.000 1.206 217 W CA 1.024 58.463 57.345 0.156 0.000 1.290 217 W CB -0.923 28.561 29.460 0.041 0.000 1.152 217 W HN 0.228 nan 8.180 nan 0.000 0.489 218 W N 0.805 122.010 121.300 -0.158 0.000 2.321 218 W HA -0.270 4.390 4.660 0.000 0.000 0.306 218 W C 2.198 178.528 176.519 -0.314 0.000 1.217 218 W CA 2.777 59.846 57.345 -0.461 0.000 1.257 218 W CB -0.475 28.809 29.460 -0.294 0.000 1.145 218 W HN -0.120 nan 8.180 nan 0.000 0.509 219 L N -0.004 121.347 121.223 0.213 0.000 2.109 219 L HA -0.186 4.154 4.340 0.000 0.000 0.207 219 L C 2.750 179.591 176.870 -0.050 0.000 1.086 219 L CA 1.263 56.178 54.840 0.125 0.000 0.760 219 L CB -1.208 40.966 42.059 0.192 0.000 0.910 219 L HN 0.281 nan 8.230 nan 0.000 0.437 220 C N -1.217 118.085 119.300 0.005 0.000 2.446 220 C HA -0.025 4.435 4.460 0.000 0.000 0.279 220 C C 2.266 177.153 174.990 -0.172 0.000 1.366 220 C CA -0.098 58.907 59.018 -0.021 0.000 1.763 220 C CB -0.645 27.166 27.740 0.119 0.000 1.929 220 C HN 0.416 nan 8.230 nan 0.000 0.509 221 E N 1.159 121.145 120.200 -0.356 0.000 2.472 221 E HA -0.062 4.288 4.350 0.000 0.000 0.200 221 E C 2.128 178.459 176.600 -0.448 0.000 1.046 221 E CA 0.434 56.559 56.400 -0.458 0.000 0.871 221 E CB -0.414 28.820 29.700 -0.776 0.000 0.806 221 E HN 0.699 nan 8.360 nan 0.000 0.533 222 R N 0.328 120.575 120.500 -0.421 0.000 2.235 222 R HA -0.017 4.323 4.340 0.000 0.000 0.213 222 R C 1.058 177.213 176.300 -0.242 0.000 1.059 222 R CA 0.121 56.009 56.100 -0.354 0.000 0.997 222 R CB -0.471 29.652 30.300 -0.296 0.000 0.884 222 R HN 0.274 nan 8.270 nan 0.000 0.462 223 Q N 1.285 120.966 119.800 -0.199 0.000 2.286 223 Q HA 0.172 4.512 4.340 0.000 0.000 0.267 223 Q C -0.635 175.269 176.000 -0.160 0.000 1.028 223 Q CA 0.034 55.737 55.803 -0.166 0.000 0.901 223 Q CB 0.489 29.158 28.738 -0.114 0.000 1.183 223 Q HN 0.121 nan 8.270 nan 0.000 0.392 224 L N 5.934 127.055 121.223 -0.169 0.000 2.416 224 L HA 0.309 4.650 4.340 0.000 0.000 0.262 224 L C -1.419 175.393 176.870 -0.097 0.000 1.093 224 L CA -2.181 52.578 54.840 -0.134 0.000 0.801 224 L CB 0.833 42.807 42.059 -0.142 0.000 1.191 224 L HN 0.642 nan 8.230 nan 0.000 0.459 225 P HA -0.198 nan 4.420 nan 0.000 0.217 225 P C 1.398 178.690 177.300 -0.014 0.000 1.148 225 P CA 1.371 64.451 63.100 -0.033 0.000 0.834 225 P CB 0.002 31.688 31.700 -0.023 0.000 0.783 226 S N -1.837 113.856 115.700 -0.010 0.000 2.469 226 S HA 0.058 4.529 4.470 0.000 0.000 0.238 226 S C 1.863 176.494 174.600 0.051 0.000 0.998 226 S CA 1.172 59.402 58.200 0.049 0.000 0.957 226 S CB -1.367 61.902 63.200 0.115 0.000 0.764 226 S HN 0.353 nan 8.310 nan 0.000 0.514 227 G N 0.317 109.086 108.800 -0.053 0.000 2.234 227 G HA2 -0.098 3.862 3.960 0.000 0.000 0.235 227 G HA3 -0.098 3.862 3.960 0.000 0.000 0.235 227 G C 0.449 175.214 174.900 -0.224 0.000 0.997 227 G CA -0.073 44.996 45.100 -0.052 0.000 0.623 227 G HN 1.118 nan 8.290 nan 0.000 0.514 228 G N -0.162 108.240 108.800 -0.664 0.000 2.569 228 G HA2 0.569 4.529 3.960 0.000 0.000 0.249 228 G HA3 0.569 4.529 3.960 0.000 0.000 0.249 228 G C -0.345 174.185 174.900 -0.617 0.000 1.216 228 G CA -0.192 44.076 45.100 -1.386 0.000 0.845 228 G HN 0.524 nan 8.290 nan 0.000 0.568 229 L N 1.221 122.164 121.223 -0.467 0.000 2.325 229 L HA 0.390 4.730 4.340 0.000 0.000 0.278 229 L C 0.322 177.116 176.870 -0.125 0.000 1.023 229 L CA -1.109 53.596 54.840 -0.225 0.000 0.811 229 L CB 1.478 43.464 42.059 -0.123 0.000 1.249 229 L HN 0.783 nan 8.230 nan 0.000 0.431 230 N N 0.310 118.955 118.700 -0.093 0.000 2.530 230 N HA 0.491 5.231 4.740 0.000 0.000 0.283 230 N C 0.699 176.182 175.510 -0.046 0.000 1.238 230 N CA -0.335 52.718 53.050 0.004 0.000 0.971 230 N CB 0.605 39.051 38.487 -0.069 0.000 1.195 230 N HN 0.521 nan 8.380 nan 0.000 0.583 231 G N -1.958 106.688 108.800 -0.255 0.000 2.986 231 G HA2 0.182 4.142 3.960 0.000 0.000 0.213 231 G HA3 0.182 4.142 3.960 0.000 0.000 0.213 231 G C 0.006 174.821 174.900 -0.142 0.000 1.156 231 G CA -0.162 44.677 45.100 -0.434 0.000 0.763 231 G HN 0.845 nan 8.290 nan 0.000 0.547 232 R N -2.107 118.294 120.500 -0.165 0.000 2.774 232 R HA 0.307 4.647 4.340 0.000 0.000 0.279 232 R C -3.546 172.636 176.300 -0.198 0.000 1.022 232 R CA -1.675 54.363 56.100 -0.103 0.000 0.855 232 R CB -0.158 30.203 30.300 0.103 0.000 1.279 232 R HN -0.239 nan 8.270 nan 0.000 0.485 233 P HA -0.057 nan 4.420 nan 0.000 0.263 233 P C -0.528 176.708 177.300 -0.107 0.000 1.175 233 P CA 0.821 63.808 63.100 -0.189 0.000 0.761 233 P CB 0.249 31.874 31.700 -0.125 0.000 0.794 234 E N -1.221 118.918 120.200 -0.102 0.000 3.628 234 E HA -0.229 4.121 4.350 0.000 0.000 0.309 234 E C -0.036 176.539 176.600 -0.041 0.000 0.839 234 E CA 0.882 57.246 56.400 -0.059 0.000 1.123 234 E CB -1.061 28.617 29.700 -0.036 0.000 1.568 234 E HN 0.556 nan 8.360 nan 0.000 0.440 235 K N 0.328 120.698 120.400 -0.050 0.000 2.185 235 K HA 0.547 4.867 4.320 0.000 0.000 0.240 235 K C 0.444 177.046 176.600 0.004 0.000 0.983 235 K CA -0.766 55.515 56.287 -0.010 0.000 0.873 235 K CB 1.370 33.860 32.500 -0.018 0.000 1.118 235 K HN -0.079 nan 8.250 nan 0.000 0.441 236 L N 3.027 124.280 121.223 0.050 0.000 2.464 236 L HA 0.181 4.521 4.340 0.000 0.000 0.264 236 L C -1.854 175.059 176.870 0.072 0.000 1.199 236 L CA -1.628 53.246 54.840 0.056 0.000 0.818 236 L CB 0.299 42.409 42.059 0.085 0.000 1.102 236 L HN 0.433 nan 8.230 nan 0.000 0.473 237 P HA 0.084 nan 4.420 nan 0.000 0.272 237 P C -1.381 175.995 177.300 0.127 0.000 1.223 237 P CA -0.100 62.954 63.100 -0.077 0.000 0.784 237 P CB 1.163 32.606 31.700 -0.429 0.000 0.923 238 D N 0.625 121.107 120.400 0.138 0.000 2.837 238 D HA 0.045 4.685 4.640 0.000 0.000 0.220 238 D C 0.893 177.302 176.300 0.183 0.000 1.236 238 D CA -0.648 53.461 54.000 0.182 0.000 0.838 238 D CB 2.425 43.262 40.800 0.062 0.000 1.647 238 D HN 0.108 nan 8.370 nan 0.000 0.486 239 V N 2.357 122.411 119.914 0.233 0.000 2.407 239 V HA -0.197 3.923 4.120 0.000 0.000 0.248 239 V C 2.312 178.371 176.094 -0.060 0.000 1.055 239 V CA 2.377 64.775 62.300 0.164 0.000 1.049 239 V CB -1.082 30.812 31.823 0.118 0.000 0.662 239 V HN 0.771 nan 8.190 nan 0.000 0.455 240 C N -0.095 119.107 119.300 -0.164 0.000 2.453 240 C HA -0.082 4.378 4.460 0.000 0.000 0.277 240 C C 2.562 176.980 174.990 -0.953 0.000 1.262 240 C CA 1.249 59.763 59.018 -0.839 0.000 1.718 240 C CB -1.998 25.160 27.740 -0.971 0.000 2.031 240 C HN 0.628 nan 8.230 nan 0.000 0.480 241 Y N 2.155 122.326 120.300 -0.216 0.000 2.274 241 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 241 Y C 3.022 178.875 175.900 -0.078 0.000 1.145 241 Y CA 1.142 59.264 58.100 0.036 0.000 1.203 241 Y CB -0.426 38.122 38.460 0.147 0.000 0.984 241 Y HN 0.341 nan 8.280 nan 0.000 0.533 242 S N -0.151 115.545 115.700 -0.006 0.000 2.383 242 S HA -0.192 4.278 4.470 0.000 0.000 0.227 242 S C 1.677 176.220 174.600 -0.095 0.000 1.026 242 S CA 1.030 59.214 58.200 -0.028 0.000 0.981 242 S CB -0.587 62.616 63.200 0.006 0.000 0.818 242 S HN 0.692 nan 8.310 nan 0.000 0.472 243 W N 1.203 122.266 121.300 -0.396 0.000 2.355 243 W HA -0.166 4.494 4.660 0.000 0.000 0.309 243 W C 1.396 177.667 176.519 -0.413 0.000 1.206 243 W CA 1.033 58.073 57.345 -0.507 0.000 1.284 243 W CB -0.446 28.471 29.460 -0.906 0.000 1.145 243 W HN 0.343 nan 8.180 nan 0.000 0.502 244 W N 0.769 121.693 121.300 -0.626 0.000 2.358 244 W HA -0.152 4.508 4.660 0.000 0.000 0.303 244 W C 2.442 178.724 176.519 -0.395 0.000 1.208 244 W CA 1.339 58.300 57.345 -0.640 0.000 1.274 244 W CB -1.446 27.845 29.460 -0.282 0.000 1.138 244 W HN -0.228 nan 8.180 nan 0.000 0.515 245 V N 0.195 120.100 119.914 -0.014 0.000 2.307 245 V HA -0.281 3.839 4.120 0.000 0.000 0.245 245 V C 2.314 178.339 176.094 -0.115 0.000 1.045 245 V CA 1.429 63.722 62.300 -0.013 0.000 1.024 245 V CB -1.243 30.589 31.823 0.016 0.000 0.651 245 V HN -0.022 nan 8.190 nan 0.000 0.449 246 L N 0.432 121.539 121.223 -0.193 0.000 2.043 246 L HA -0.186 4.154 4.340 0.000 0.000 0.212 246 L C 2.512 179.197 176.870 -0.309 0.000 1.075 246 L CA 2.410 57.126 54.840 -0.206 0.000 0.752 246 L CB -1.007 40.947 42.059 -0.175 0.000 0.891 246 L HN 0.293 nan 8.230 nan 0.000 0.432 247 A N -2.025 120.439 122.820 -0.593 0.000 1.858 247 A HA -0.196 4.124 4.320 0.000 0.000 0.216 247 A C 2.430 179.882 177.584 -0.221 0.000 1.190 247 A CA 1.990 53.695 52.037 -0.555 0.000 0.617 247 A CB -0.940 17.539 19.000 -0.868 0.000 0.827 247 A HN 0.448 nan 8.150 nan 0.000 0.443 248 S N -0.237 115.377 115.700 -0.143 0.000 2.359 248 S HA -0.144 4.326 4.470 0.000 0.000 0.224 248 S C 1.826 176.384 174.600 -0.071 0.000 1.035 248 S CA 1.500 59.656 58.200 -0.074 0.000 1.018 248 S CB -0.400 62.784 63.200 -0.026 0.000 0.876 248 S HN 0.350 nan 8.310 nan 0.000 0.448 249 L N 1.683 122.864 121.223 -0.069 0.000 2.042 249 L HA -0.053 4.288 4.340 0.000 0.000 0.210 249 L C 2.310 179.135 176.870 -0.074 0.000 1.076 249 L CA 1.728 56.533 54.840 -0.059 0.000 0.749 249 L CB -1.124 40.912 42.059 -0.040 0.000 0.893 249 L HN 0.175 nan 8.230 nan 0.000 0.432 250 K N 0.170 120.525 120.400 -0.074 0.000 2.057 250 K HA -0.122 4.198 4.320 0.000 0.000 0.207 250 K C 2.047 178.618 176.600 -0.047 0.000 1.049 250 K CA 1.465 57.723 56.287 -0.049 0.000 0.931 250 K CB -0.457 32.018 32.500 -0.041 0.000 0.714 250 K HN 0.264 nan 8.250 nan 0.000 0.440 251 I N 1.064 121.598 120.570 -0.059 0.000 2.226 251 I HA -0.234 3.936 4.170 0.000 0.000 0.245 251 I C 1.882 177.966 176.117 -0.055 0.000 1.100 251 I CA 1.449 62.716 61.300 -0.054 0.000 1.374 251 I CB -0.277 37.675 38.000 -0.080 0.000 1.057 251 I HN 0.232 nan 8.210 nan 0.000 0.413 252 I N -1.792 118.739 120.570 -0.064 0.000 3.812 252 I HA 0.371 4.541 4.170 0.000 0.000 0.320 252 I C 1.225 177.283 176.117 -0.099 0.000 1.276 252 I CA 0.521 61.781 61.300 -0.067 0.000 1.164 252 I CB -0.326 37.641 38.000 -0.056 0.000 1.009 252 I HN 0.290 nan 8.210 nan 0.000 0.431 253 G N 2.410 111.154 108.800 -0.093 0.000 2.137 253 G HA2 -0.223 3.737 3.960 0.000 0.000 0.237 253 G HA3 -0.223 3.737 3.960 0.000 0.000 0.237 253 G C 0.420 175.215 174.900 -0.176 0.000 1.002 253 G CA -0.166 44.872 45.100 -0.103 0.000 0.702 253 G HN 0.415 nan 8.290 nan 0.000 0.515 254 R N -0.758 119.600 120.500 -0.236 0.000 2.629 254 R HA 0.314 4.654 4.340 0.000 0.000 0.408 254 R C 1.725 177.853 176.300 -0.287 0.000 1.057 254 R CA -0.244 55.545 56.100 -0.518 0.000 1.119 254 R CB -0.351 29.488 30.300 -0.768 0.000 1.403 254 R HN 0.399 nan 8.270 nan 0.000 0.576 255 L N 2.135 123.329 121.223 -0.048 0.000 2.265 255 L HA -0.123 4.218 4.340 0.000 0.000 0.215 255 L C 2.012 178.938 176.870 0.092 0.000 1.117 255 L CA 1.868 56.720 54.840 0.020 0.000 0.782 255 L CB -0.417 41.663 42.059 0.036 0.000 0.914 255 L HN 0.319 nan 8.230 nan 0.000 0.441 256 H N -4.210 114.856 119.070 -0.007 0.000 2.556 256 H HA -0.099 4.457 4.556 0.000 0.000 0.268 256 H C 1.014 176.509 175.328 0.279 0.000 0.996 256 H CA 0.259 56.367 56.048 0.100 0.000 1.157 256 H CB -0.683 29.120 29.762 0.069 0.000 1.355 256 H HN 0.388 nan 8.280 nan 0.000 0.597 257 W N 1.035 122.155 121.300 -0.300 0.000 3.047 257 W HA 0.255 4.915 4.660 0.000 0.000 0.250 257 W C 0.289 176.758 176.519 -0.084 0.000 1.314 257 W CA -0.793 56.421 57.345 -0.219 0.000 1.540 257 W CB -0.270 29.058 29.460 -0.220 0.000 1.127 257 W HN 0.088 nan 8.180 nan 0.000 0.679 258 I N 0.863 121.520 120.570 0.146 0.000 2.488 258 I HA 0.058 4.228 4.170 0.000 0.000 0.299 258 I C 0.269 176.426 176.117 0.068 0.000 0.984 258 I CA -0.790 60.556 61.300 0.076 0.000 1.250 258 I CB 0.971 39.002 38.000 0.052 0.000 1.389 258 I HN -0.299 nan 8.210 nan 0.000 0.488 259 D N 5.753 126.177 120.400 0.040 0.000 2.359 259 D HA 0.088 4.728 4.640 0.000 0.000 0.250 259 D C 1.038 177.366 176.300 0.048 0.000 1.264 259 D CA 0.125 54.150 54.000 0.042 0.000 0.911 259 D CB 0.620 41.434 40.800 0.024 0.000 1.056 259 D HN 0.426 nan 8.370 nan 0.000 0.499 260 R N 2.201 122.737 120.500 0.060 0.000 2.075 260 R HA -0.085 4.255 4.340 0.000 0.000 0.232 260 R C 1.842 178.180 176.300 0.063 0.000 1.126 260 R CA 0.841 56.979 56.100 0.063 0.000 0.963 260 R CB 0.213 30.554 30.300 0.069 0.000 0.858 260 R HN 0.402 nan 8.270 nan 0.000 0.435 261 E N 0.971 121.206 120.200 0.059 0.000 2.047 261 E HA -0.161 4.189 4.350 0.000 0.000 0.191 261 E C 1.779 178.418 176.600 0.064 0.000 0.987 261 E CA 1.281 57.715 56.400 0.058 0.000 0.799 261 E CB -0.030 29.699 29.700 0.049 0.000 0.752 261 E HN 0.326 nan 8.360 nan 0.000 0.449 262 K N 0.447 120.881 120.400 0.057 0.000 2.026 262 K HA -0.131 4.189 4.320 0.000 0.000 0.208 262 K C 2.199 178.856 176.600 0.095 0.000 1.048 262 K CA 0.845 57.171 56.287 0.065 0.000 0.929 262 K CB -0.263 32.261 32.500 0.040 0.000 0.713 262 K HN 0.005 nan 8.250 nan 0.000 0.439 263 L N 1.716 122.987 121.223 0.080 0.000 2.141 263 L HA -0.121 4.220 4.340 0.000 0.000 0.209 263 L C 2.346 179.314 176.870 0.163 0.000 1.094 263 L CA 1.493 56.398 54.840 0.109 0.000 0.763 263 L CB -0.440 41.654 42.059 0.059 0.000 0.908 263 L HN 0.048 nan 8.230 nan 0.000 0.437 264 R N -0.960 119.612 120.500 0.121 0.000 2.080 264 R HA -0.171 4.169 4.340 0.000 0.000 0.236 264 R C 2.267 178.642 176.300 0.126 0.000 1.137 264 R CA 1.875 58.045 56.100 0.117 0.000 0.943 264 R CB -0.356 29.996 30.300 0.088 0.000 0.846 264 R HN 0.432 nan 8.270 nan 0.000 0.431 265 S N 0.346 116.115 115.700 0.116 0.000 2.359 265 S HA -0.211 4.260 4.470 0.000 0.000 0.223 265 S C 1.499 176.168 174.600 0.115 0.000 1.039 265 S CA 1.656 59.916 58.200 0.100 0.000 1.042 265 S CB -0.513 62.741 63.200 0.091 0.000 0.915 265 S HN 0.449 nan 8.310 nan 0.000 0.439 266 F N 1.849 121.819 119.950 0.033 0.000 2.126 266 F HA -0.094 4.433 4.527 0.000 0.000 0.299 266 F C 1.852 177.685 175.800 0.055 0.000 1.096 266 F CA 1.323 59.342 58.000 0.031 0.000 1.255 266 F CB -0.264 38.750 39.000 0.024 0.000 0.997 266 F HN 0.140 nan 8.300 nan 0.000 0.479 267 I N -0.154 120.511 120.570 0.158 0.000 2.277 267 I HA -0.266 3.904 4.170 0.000 0.000 0.243 267 I C 2.307 178.495 176.117 0.118 0.000 1.094 267 I CA 0.895 62.265 61.300 0.117 0.000 1.393 267 I CB -0.573 37.542 38.000 0.192 0.000 1.078 267 I HN 0.140 nan 8.210 nan 0.000 0.417 268 L N 0.967 122.255 121.223 0.109 0.000 2.089 268 L HA -0.263 4.078 4.340 0.000 0.000 0.213 268 L C 2.729 179.546 176.870 -0.088 0.000 1.079 268 L CA 1.522 56.383 54.840 0.036 0.000 0.758 268 L CB -0.876 41.205 42.059 0.037 0.000 0.891 268 L HN 0.273 nan 8.230 nan 0.000 0.433 269 A N -1.403 121.336 122.820 -0.134 0.000 2.172 269 A HA -0.149 4.171 4.320 0.000 0.000 0.216 269 A C 2.168 179.596 177.584 -0.260 0.000 1.154 269 A CA 1.290 53.212 52.037 -0.191 0.000 0.701 269 A CB -0.834 18.055 19.000 -0.185 0.000 0.789 269 A HN 0.584 nan 8.150 nan 0.000 0.465 270 C N -0.047 119.078 119.300 -0.291 0.000 2.618 270 C HA 0.126 4.586 4.460 0.000 0.000 0.264 270 C C 1.066 175.899 174.990 -0.262 0.000 1.334 270 C CA -0.516 58.353 59.018 -0.250 0.000 1.731 270 C CB -1.541 26.091 27.740 -0.180 0.000 1.852 270 C HN 0.588 nan 8.230 nan 0.000 0.566 271 Q N 1.694 121.242 119.800 -0.420 0.000 2.364 271 Q HA 0.089 4.429 4.340 0.000 0.000 0.267 271 Q C -0.116 175.701 176.000 -0.305 0.000 0.999 271 Q CA 0.384 55.854 55.803 -0.554 0.000 0.886 271 Q CB 0.494 28.915 28.738 -0.528 0.000 1.243 271 Q HN 0.332 nan 8.270 nan 0.000 0.415 272 D N 2.605 122.843 120.400 -0.271 0.000 2.365 272 D HA 0.007 4.647 4.640 0.000 0.000 0.237 272 D C 0.224 176.412 176.300 -0.188 0.000 1.190 272 D CA 0.138 54.019 54.000 -0.199 0.000 0.867 272 D CB 0.736 41.421 40.800 -0.191 0.000 1.050 272 D HN 0.539 nan 8.370 nan 0.000 0.491 273 E N 2.363 122.470 120.200 -0.156 0.000 2.033 273 E HA -0.169 4.181 4.350 0.000 0.000 0.199 273 E C 0.375 176.900 176.600 -0.125 0.000 1.011 273 E CA 0.966 57.281 56.400 -0.142 0.000 0.815 273 E CB 0.127 29.762 29.700 -0.108 0.000 0.755 273 E HN 0.566 nan 8.360 nan 0.000 0.451 274 E N 0.020 120.163 120.200 -0.095 0.000 2.428 274 E HA -0.075 4.275 4.350 0.000 0.000 0.257 274 E C 0.888 177.441 176.600 -0.078 0.000 1.197 274 E CA 0.398 56.756 56.400 -0.071 0.000 0.974 274 E CB 0.301 29.973 29.700 -0.047 0.000 0.976 274 E HN 0.159 nan 8.360 nan 0.000 0.463 275 T N -0.552 113.976 114.554 -0.044 0.000 11.150 275 T HA -0.318 4.032 4.350 0.000 0.000 0.417 275 T C 0.742 175.411 174.700 -0.052 0.000 1.460 275 T CA 3.210 65.300 62.100 -0.016 0.000 2.433 275 T CB -1.287 67.579 68.868 -0.004 0.000 2.893 275 T HN 1.607 nan 8.240 nan 0.000 1.015 276 G N -0.423 108.282 108.800 -0.159 0.000 2.760 276 G HA2 0.437 4.397 3.960 0.000 0.000 0.246 276 G HA3 0.437 4.397 3.960 0.000 0.000 0.246 276 G C 0.881 175.581 174.900 -0.333 0.000 1.359 276 G CA 0.087 45.068 45.100 -0.199 0.000 0.861 276 G HN 2.502 nan 8.290 nan 0.000 0.541 277 G N -2.420 106.355 108.800 -0.041 0.000 2.699 277 G HA2 0.430 4.390 3.960 0.000 0.000 0.686 277 G HA3 0.430 4.390 3.960 0.000 0.000 0.686 277 G C -0.576 174.182 174.900 -0.236 0.000 1.301 277 G CA 0.180 45.044 45.100 -0.393 0.000 0.816 277 G HN 1.799 nan 8.290 nan 0.000 0.595 278 F N 0.281 120.063 119.950 -0.280 0.000 2.538 278 F HA 0.864 5.391 4.527 0.000 0.000 0.325 278 F C 0.875 176.586 175.800 -0.149 0.000 1.066 278 F CA -0.059 57.813 58.000 -0.213 0.000 0.946 278 F CB 2.034 40.899 39.000 -0.225 0.000 1.199 278 F HN 0.997 nan 8.300 nan 0.000 0.473 279 A N 0.646 123.476 122.820 0.017 0.000 2.312 279 A HA 0.500 4.820 4.320 0.000 0.000 0.310 279 A C 0.625 178.048 177.584 -0.267 0.000 1.139 279 A CA -0.276 51.698 52.037 -0.104 0.000 0.886 279 A CB 0.416 19.345 19.000 -0.119 0.000 1.350 279 A HN 0.747 nan 8.150 nan 0.000 0.479 280 D N -0.382 119.681 120.400 -0.562 0.000 2.117 280 D HA -0.072 4.568 4.640 0.000 0.000 0.197 280 D C 0.568 176.765 176.300 -0.172 0.000 0.987 280 D CA 1.286 54.901 54.000 -0.641 0.000 0.829 280 D CB -0.001 40.429 40.800 -0.615 0.000 0.961 280 D HN 0.509 nan 8.370 nan 0.000 0.460 281 R N -0.818 119.596 120.500 -0.143 0.000 2.817 281 R HA 0.508 4.848 4.340 0.000 0.000 0.268 281 R C -2.829 173.374 176.300 -0.162 0.000 1.027 281 R CA -2.113 53.925 56.100 -0.104 0.000 0.928 281 R CB 1.569 31.889 30.300 0.033 0.000 1.228 281 R HN -0.105 nan 8.270 nan 0.000 0.469 282 P HA 0.018 nan 4.420 nan 0.000 0.265 282 P C 0.428 177.667 177.300 -0.101 0.000 1.193 282 P CA 0.982 63.976 63.100 -0.176 0.000 0.765 282 P CB 0.505 32.100 31.700 -0.174 0.000 0.823 283 G N 1.384 110.126 108.800 -0.097 0.000 2.179 283 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 283 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 283 G C 0.119 174.988 174.900 -0.052 0.000 0.977 283 G CA -0.112 44.950 45.100 -0.064 0.000 0.641 283 G HN 0.490 nan 8.290 nan 0.000 0.533 284 D N -0.213 120.148 120.400 -0.064 0.000 2.478 284 D HA 0.591 5.231 4.640 0.000 0.000 0.263 284 D C 1.235 177.509 176.300 -0.043 0.000 1.153 284 D CA -0.557 53.415 54.000 -0.047 0.000 1.038 284 D CB 0.389 41.154 40.800 -0.058 0.000 1.120 284 D HN 0.168 nan 8.370 nan 0.000 0.564 285 M N 1.083 120.675 119.600 -0.013 0.000 2.200 285 M HA 0.152 4.632 4.480 0.000 0.000 0.355 285 M C 0.186 176.487 176.300 0.002 0.000 1.283 285 M CA -0.635 54.672 55.300 0.012 0.000 1.124 285 M CB 1.010 33.648 32.600 0.064 0.000 1.625 285 M HN 0.152 nan 8.290 nan 0.000 0.463 286 V N 1.164 121.065 119.914 -0.022 0.000 3.133 286 V HA 0.602 4.722 4.120 0.000 0.000 0.305 286 V C -0.590 175.560 176.094 0.094 0.000 1.084 286 V CA -0.309 61.968 62.300 -0.040 0.000 1.089 286 V CB 1.262 32.934 31.823 -0.251 0.000 1.073 286 V HN 1.013 nan 8.190 nan 0.000 0.477 287 D N 0.234 120.730 120.400 0.161 0.000 2.665 287 D HA 0.500 5.140 4.640 0.000 0.000 0.287 287 D C -2.775 173.639 176.300 0.189 0.000 1.266 287 D CA -1.301 52.847 54.000 0.247 0.000 0.830 287 D CB 1.425 42.350 40.800 0.208 0.000 1.356 287 D HN 0.228 nan 8.370 nan 0.000 0.437 288 P HA 0.018 nan 4.420 nan 0.000 0.217 288 P C 1.169 178.352 177.300 -0.195 0.000 1.154 288 P CA 0.511 63.570 63.100 -0.068 0.000 0.841 288 P CB -0.033 31.520 31.700 -0.245 0.000 0.788 289 F N 0.611 120.243 119.950 -0.530 0.000 2.063 289 F HA -0.293 4.234 4.527 0.000 0.000 0.298 289 F C 2.043 177.202 175.800 -1.067 0.000 1.109 289 F CA 2.003 59.251 58.000 -1.255 0.000 1.212 289 F CB -0.974 37.192 39.000 -1.390 0.000 0.973 289 F HN 0.036 nan 8.300 nan 0.000 0.480 290 H N -1.519 117.366 119.070 -0.308 0.000 2.524 290 H HA -0.042 4.514 4.556 0.000 0.000 0.282 290 H C 2.070 177.153 175.328 -0.409 0.000 1.016 290 H CA 1.489 57.350 56.048 -0.310 0.000 1.270 290 H CB -0.301 29.417 29.762 -0.074 0.000 1.394 290 H HN 0.247 nan 8.280 nan 0.000 0.568 291 T N 0.542 114.930 114.554 -0.278 0.000 2.851 291 T HA -0.086 4.264 4.350 0.000 0.000 0.262 291 T C 1.996 176.356 174.700 -0.566 0.000 1.043 291 T CA 0.722 62.668 62.100 -0.256 0.000 1.140 291 T CB -0.215 68.665 68.868 0.020 0.000 0.872 291 T HN 0.150 nan 8.240 nan 0.000 0.446 292 L N 0.855 121.667 121.223 -0.685 0.000 2.042 292 L HA 0.012 4.352 4.340 0.000 0.000 0.210 292 L C 1.842 178.143 176.870 -0.948 0.000 1.076 292 L CA 1.815 56.141 54.840 -0.857 0.000 0.749 292 L CB -0.822 40.587 42.059 -1.084 0.000 0.893 292 L HN 0.299 nan 8.230 nan 0.000 0.432 293 F N -0.919 118.495 119.950 -0.893 0.000 2.456 293 F HA 0.051 4.578 4.527 0.000 0.000 0.298 293 F C 2.321 177.705 175.800 -0.693 0.000 1.104 293 F CA 0.310 57.777 58.000 -0.887 0.000 1.435 293 F CB -0.696 37.746 39.000 -0.930 0.000 1.078 293 F HN 0.233 nan 8.300 nan 0.000 0.546 294 G N 0.861 109.211 108.800 -0.750 0.000 2.404 294 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 294 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 294 G C 1.622 175.978 174.900 -0.907 0.000 1.174 294 G CA 0.561 44.963 45.100 -1.163 0.000 0.780 294 G HN 0.121 nan 8.290 nan 0.000 0.537 295 I N 1.896 121.951 120.570 -0.858 0.000 2.202 295 I HA -0.101 4.069 4.170 0.000 0.000 0.242 295 I C 3.280 179.223 176.117 -0.290 0.000 1.091 295 I CA 1.266 62.302 61.300 -0.440 0.000 1.368 295 I CB -1.308 36.477 38.000 -0.358 0.000 1.058 295 I HN 0.258 nan 8.210 nan 0.000 0.410 296 A N 0.881 123.465 122.820 -0.393 0.000 1.933 296 A HA -0.108 4.212 4.320 0.000 0.000 0.218 296 A C 2.484 180.077 177.584 0.014 0.000 1.175 296 A CA 1.892 53.719 52.037 -0.349 0.000 0.628 296 A CB -1.280 17.114 19.000 -1.009 0.000 0.814 296 A HN 0.445 nan 8.150 nan 0.000 0.444 297 G N -0.171 108.674 108.800 0.076 0.000 2.404 297 G HA2 -0.133 3.827 3.960 0.000 0.000 0.215 297 G HA3 -0.133 3.827 3.960 0.000 0.000 0.215 297 G C 1.552 176.522 174.900 0.117 0.000 1.174 297 G CA 0.940 46.178 45.100 0.230 0.000 0.780 297 G HN 0.423 nan 8.290 nan 0.000 0.537 298 L N 0.827 122.071 121.223 0.034 0.000 2.013 298 L HA -0.168 4.173 4.340 0.000 0.000 0.212 298 L C 3.130 180.037 176.870 0.062 0.000 1.073 298 L CA 1.561 56.430 54.840 0.048 0.000 0.753 298 L CB -0.518 41.563 42.059 0.037 0.000 0.890 298 L HN 0.393 nan 8.230 nan 0.000 0.432 299 S N -0.020 115.710 115.700 0.051 0.000 2.370 299 S HA -0.192 4.278 4.470 0.000 0.000 0.226 299 S C 1.913 176.575 174.600 0.103 0.000 1.033 299 S CA 1.200 59.440 58.200 0.067 0.000 1.011 299 S CB -0.191 63.037 63.200 0.047 0.000 0.852 299 S HN 0.247 nan 8.310 nan 0.000 0.457 300 L N 1.114 122.429 121.223 0.153 0.000 2.291 300 L HA 0.276 4.616 4.340 0.000 0.000 0.214 300 L C 1.804 178.733 176.870 0.100 0.000 1.120 300 L CA 1.233 56.164 54.840 0.152 0.000 0.799 300 L CB -0.421 41.773 42.059 0.225 0.000 0.925 300 L HN 0.380 nan 8.230 nan 0.000 0.446 301 L N -1.449 119.830 121.223 0.093 0.000 2.599 301 L HA 0.229 4.569 4.340 0.000 0.000 0.230 301 L C 1.403 178.314 176.870 0.068 0.000 1.141 301 L CA 0.672 55.557 54.840 0.076 0.000 0.877 301 L CB -0.316 41.789 42.059 0.077 0.000 1.009 301 L HN 0.449 nan 8.230 nan 0.000 0.447 302 G N 0.049 108.889 108.800 0.068 0.000 2.205 302 G HA2 -0.224 3.737 3.960 0.000 0.000 0.180 302 G HA3 -0.224 3.737 3.960 0.000 0.000 0.180 302 G C 0.090 175.023 174.900 0.054 0.000 1.004 302 G CA -0.247 44.888 45.100 0.058 0.000 0.670 302 G HN 0.297 nan 8.290 nan 0.000 0.496 303 E N 1.924 122.158 120.200 0.057 0.000 2.220 303 E HA 0.394 4.744 4.350 0.000 0.000 0.272 303 E C 1.518 178.147 176.600 0.048 0.000 1.099 303 E CA 0.339 56.771 56.400 0.054 0.000 0.907 303 E CB 0.190 29.925 29.700 0.059 0.000 1.022 303 E HN 0.578 nan 8.360 nan 0.000 0.428 304 E N 3.477 123.703 120.200 0.044 0.000 2.347 304 E HA -0.192 4.158 4.350 0.000 0.000 0.196 304 E C 1.076 177.699 176.600 0.038 0.000 1.008 304 E CA 0.478 56.902 56.400 0.040 0.000 0.852 304 E CB 0.032 29.753 29.700 0.035 0.000 0.783 304 E HN 0.658 nan 8.360 nan 0.000 0.505 305 Q N 0.688 120.512 119.800 0.041 0.000 2.167 305 Q HA 0.017 4.358 4.340 0.000 0.000 0.202 305 Q C 0.670 176.693 176.000 0.039 0.000 0.970 305 Q CA 0.650 56.477 55.803 0.041 0.000 0.855 305 Q CB 0.033 28.799 28.738 0.047 0.000 0.911 305 Q HN 0.306 nan 8.270 nan 0.000 0.438 306 I N 1.543 122.136 120.570 0.039 0.000 2.428 306 I HA 0.069 4.239 4.170 0.000 0.000 0.289 306 I C 0.077 176.212 176.117 0.029 0.000 1.019 306 I CA -0.477 60.840 61.300 0.029 0.000 1.351 306 I CB 1.052 39.064 38.000 0.020 0.000 1.412 306 I HN -0.083 nan 8.210 nan 0.000 0.513 307 K N 5.997 126.410 120.400 0.023 0.000 2.380 307 K HA 0.183 4.503 4.320 0.000 0.000 0.267 307 K C -2.330 174.294 176.600 0.040 0.000 0.990 307 K CA -1.315 54.989 56.287 0.029 0.000 0.946 307 K CB -0.119 32.395 32.500 0.024 0.000 0.937 307 K HN 0.244 nan 8.250 nan 0.000 0.491 308 P HA 0.017 nan 4.420 nan 0.000 0.271 308 P C -0.798 176.557 177.300 0.091 0.000 1.220 308 P CA -0.204 62.940 63.100 0.073 0.000 0.768 308 P CB 0.815 32.558 31.700 0.071 0.000 0.848 309 V N 2.923 122.914 119.914 0.128 0.000 2.667 309 V HA 0.464 4.584 4.120 0.000 0.000 0.308 309 V C 0.003 176.253 176.094 0.260 0.000 1.048 309 V CA -0.641 61.760 62.300 0.168 0.000 0.928 309 V CB 1.948 33.851 31.823 0.133 0.000 1.004 309 V HN 0.588 nan 8.190 nan 0.000 0.444 310 S N 6.660 122.542 115.700 0.304 0.000 2.565 310 S HA 0.449 4.919 4.470 0.000 0.000 0.276 310 S C -1.531 173.350 174.600 0.469 0.000 1.326 310 S CA -0.792 57.618 58.200 0.350 0.000 1.045 310 S CB 1.358 64.810 63.200 0.419 0.000 0.918 310 S HN 0.791 nan 8.310 nan 0.000 0.505 311 P HA 0.093 nan 4.420 nan 0.000 0.245 311 P C 1.112 178.580 177.300 0.280 0.000 1.206 311 P CA 0.193 63.443 63.100 0.249 0.000 0.781 311 P CB 0.118 31.837 31.700 0.031 0.000 0.994 312 V N -1.388 118.663 119.914 0.229 0.000 2.426 312 V HA -0.007 4.113 4.120 0.000 0.000 0.242 312 V C 2.045 178.170 176.094 0.053 0.000 1.036 312 V CA 1.527 63.834 62.300 0.012 0.000 1.044 312 V CB -1.054 30.678 31.823 -0.152 0.000 0.688 312 V HN -0.071 nan 8.190 nan 0.000 0.462 313 F N -1.238 118.980 119.950 0.447 0.000 2.714 313 F HA 0.275 4.803 4.527 0.000 0.000 0.294 313 F C 1.443 177.560 175.800 0.528 0.000 1.120 313 F CA 0.321 58.583 58.000 0.437 0.000 1.398 313 F CB -0.018 39.136 39.000 0.257 0.000 1.120 313 F HN 0.139 nan 8.300 nan 0.000 0.589 314 C N 2.446 122.173 119.300 0.712 0.000 3.727 314 C HA -0.222 4.238 4.460 0.000 0.000 0.293 314 C C -0.115 175.124 174.990 0.414 0.000 1.339 314 C CA 0.121 59.456 59.018 0.528 0.000 2.150 314 C CB -2.375 25.695 27.740 0.551 0.000 1.383 314 C HN 0.417 nan 8.230 nan 0.000 0.614 315 M N 1.170 120.979 119.600 0.348 0.000 2.569 315 M HA 0.451 4.931 4.480 0.000 0.000 0.279 315 M C -2.523 173.867 176.300 0.151 0.000 1.253 315 M CA -1.675 53.768 55.300 0.237 0.000 0.867 315 M CB 1.947 34.697 32.600 0.250 0.000 1.727 315 M HN -0.132 nan 8.290 nan 0.000 0.467 316 P HA -0.006 nan 4.420 nan 0.000 0.260 316 P C -0.069 177.277 177.300 0.077 0.000 1.185 316 P CA 0.481 63.618 63.100 0.061 0.000 0.763 316 P CB 0.524 32.240 31.700 0.026 0.000 0.776 317 E N 3.778 124.034 120.200 0.095 0.000 2.171 317 E HA -0.264 4.086 4.350 0.000 0.000 0.197 317 E C 1.584 178.216 176.600 0.053 0.000 0.997 317 E CA 1.785 58.239 56.400 0.090 0.000 0.810 317 E CB -0.216 29.541 29.700 0.096 0.000 0.738 317 E HN 0.621 nan 8.360 nan 0.000 0.467 318 E N -0.797 119.428 120.200 0.042 0.000 2.208 318 E HA -0.121 4.229 4.350 0.000 0.000 0.193 318 E C 1.926 178.535 176.600 0.015 0.000 0.988 318 E CA 1.152 57.569 56.400 0.028 0.000 0.828 318 E CB -0.154 29.562 29.700 0.027 0.000 0.763 318 E HN 0.130 nan 8.360 nan 0.000 0.478 319 V N 1.772 121.693 119.914 0.011 0.000 2.295 319 V HA -0.259 3.861 4.120 0.000 0.000 0.246 319 V C 2.476 178.551 176.094 -0.031 0.000 1.049 319 V CA 1.686 63.982 62.300 -0.007 0.000 1.024 319 V CB -0.496 31.322 31.823 -0.009 0.000 0.648 319 V HN 0.286 nan 8.190 nan 0.000 0.447 320 L N -0.725 120.474 121.223 -0.040 0.000 2.056 320 L HA -0.195 4.145 4.340 0.000 0.000 0.207 320 L C 2.687 179.528 176.870 -0.049 0.000 1.078 320 L CA 1.464 56.250 54.840 -0.090 0.000 0.749 320 L CB -0.756 41.250 42.059 -0.088 0.000 0.901 320 L HN 0.346 nan 8.230 nan 0.000 0.433 321 Q N -0.051 119.744 119.800 -0.009 0.000 2.029 321 Q HA -0.326 4.014 4.340 0.000 0.000 0.209 321 Q C 2.321 178.317 176.000 -0.007 0.000 0.999 321 Q CA 2.108 57.913 55.803 0.002 0.000 0.857 321 Q CB -0.423 28.325 28.738 0.016 0.000 0.926 321 Q HN 0.368 nan 8.270 nan 0.000 0.415 322 R N 0.680 121.176 120.500 -0.006 0.000 2.133 322 R HA -0.196 4.144 4.340 0.000 0.000 0.245 322 R C 2.098 178.389 176.300 -0.015 0.000 1.137 322 R CA 2.219 58.315 56.100 -0.005 0.000 0.947 322 R CB -0.453 29.847 30.300 -0.001 0.000 0.865 322 R HN 0.370 nan 8.270 nan 0.000 0.437 323 V N -1.087 118.807 119.914 -0.034 0.000 3.592 323 V HA 0.066 4.186 4.120 0.000 0.000 0.272 323 V C -0.080 175.990 176.094 -0.039 0.000 1.228 323 V CA 0.804 63.079 62.300 -0.041 0.000 1.173 323 V CB -0.827 30.953 31.823 -0.072 0.000 0.873 323 V HN 0.502 nan 8.190 nan 0.000 0.476 324 N N -0.691 117.991 118.700 -0.029 0.000 2.780 324 N HA -0.135 4.605 4.740 0.000 0.000 0.248 324 N C -0.145 175.350 175.510 -0.026 0.000 1.102 324 N CA 0.979 54.018 53.050 -0.019 0.000 0.697 324 N CB -1.495 36.986 38.487 -0.010 0.000 1.028 324 N HN 0.564 nan 8.380 nan 0.000 0.554 325 V N 1.519 121.402 119.914 -0.051 0.000 2.250 325 V HA 0.202 4.322 4.120 0.000 0.000 0.268 325 V C 0.070 176.165 176.094 0.002 0.000 1.043 325 V CA -0.221 62.047 62.300 -0.054 0.000 0.814 325 V CB 1.500 33.222 31.823 -0.169 0.000 1.072 325 V HN 0.084 nan 8.190 nan 0.000 0.451 326 Q N 3.776 123.607 119.800 0.053 0.000 2.798 326 Q HA 0.352 4.692 4.340 0.000 0.000 0.250 326 Q C -2.459 173.601 176.000 0.101 0.000 1.006 326 Q CA -1.595 54.265 55.803 0.095 0.000 0.759 326 Q CB 1.937 30.713 28.738 0.063 0.000 1.201 326 Q HN 0.489 nan 8.270 nan 0.000 0.486 327 P HA -0.082 nan 4.420 nan 0.000 0.264 327 P C -0.152 177.186 177.300 0.063 0.000 1.179 327 P CA 0.285 63.438 63.100 0.089 0.000 0.763 327 P CB 0.826 32.580 31.700 0.090 0.000 0.806 328 E N 1.656 121.879 120.200 0.038 0.000 2.289 328 E HA 0.227 4.577 4.350 0.000 0.000 0.278 328 E C -0.227 176.385 176.600 0.020 0.000 1.032 328 E CA -0.410 56.008 56.400 0.029 0.000 0.854 328 E CB 0.375 30.089 29.700 0.024 0.000 1.046 328 E HN 0.347 nan 8.360 nan 0.000 0.409 329 L N 2.567 123.801 121.223 0.018 0.000 2.440 329 L HA 0.413 4.753 4.340 0.000 0.000 0.262 329 L C 0.115 176.986 176.870 0.000 0.000 1.072 329 L CA -1.176 53.667 54.840 0.005 0.000 0.798 329 L CB 0.941 43.004 42.059 0.006 0.000 1.307 329 L HN 0.287 nan 8.230 nan 0.000 0.475 330 V N 0.223 120.130 119.914 -0.011 0.000 2.715 330 V HA 0.322 4.443 4.120 0.000 0.000 0.299 330 V C 0.321 176.405 176.094 -0.017 0.000 1.054 330 V CA 0.594 62.887 62.300 -0.011 0.000 1.077 330 V CB 1.305 33.114 31.823 -0.024 0.000 0.972 330 V HN 0.813 nan 8.190 nan 0.000 0.484 331 S N 0.000 115.693 115.700 -0.012 0.000 2.498 331 S HA 0.000 4.470 4.470 0.000 0.000 0.327 331 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 331 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 331 S HN 0.000 nan 8.310 nan 0.000 0.517