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 3oyh_1_A DATA FIRST_RESID 8 DATA SEQUENCE LDAELDQLLQ GHYIKGYPKQ YTYFLEDGKV KVSRPEGVKI IPPQSDRQKI DATA SEQUENCE VLQAHNLAHT GREATLLKIA NLYWWPNMRK DVVKQLGRCQ QCLITNASNK DATA SEQUENCE ASGPILRPDR PQKPFDKFFI DYIGPLPPSQ GYLYVLVVVD GMTGFTWLYP DATA SEQUENCE TKAPSTSATV KSLNVLTSIA IPKVIHSDQG AAFTSSTFAE WAKERGIHLE DATA SEQUENCE FSTPYHPQSS GKVERKNSDI KRLLTKLLVG RPTKWYDLLP VVQLALNNTY DATA SEQUENCE SPVLKYTPHQ LLFGIDSNTP FANQDTLDLT REEELSLLQE IRTSLYHPST DATA SEQUENCE PPASSRSWSP VVGQLVQERV ARPASLRPRW HKPSTVLKVL NPRTVVILDH DATA SEQUENCE LGNNRTVSID NLKPTSHQ 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.826 176.870 -0.074 0.000 1.165 8 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 8 L CB 0.000 42.008 42.059 -0.085 0.000 0.961 9 D N 0.439 120.800 120.400 -0.064 0.000 2.183 9 D HA 0.171 4.811 4.640 0.001 0.000 0.203 9 D C 2.125 178.391 176.300 -0.057 0.000 0.969 9 D CA 1.641 55.609 54.000 -0.054 0.000 0.842 9 D CB 0.396 41.171 40.800 -0.042 0.000 0.957 9 D HN 0.761 nan 8.370 nan 0.000 0.484 10 A N 1.540 124.324 122.820 -0.060 0.000 1.855 10 A HA -0.191 4.129 4.320 0.001 0.000 0.215 10 A C 2.089 179.621 177.584 -0.085 0.000 1.191 10 A CA 1.226 53.225 52.037 -0.063 0.000 0.613 10 A CB -0.521 18.444 19.000 -0.058 0.000 0.829 10 A HN 0.118 nan 8.150 nan 0.000 0.442 11 E N -0.639 119.502 120.200 -0.098 0.000 2.049 11 E HA -0.225 4.126 4.350 0.001 0.000 0.198 11 E C 1.847 178.320 176.600 -0.213 0.000 1.007 11 E CA 1.425 57.740 56.400 -0.143 0.000 0.809 11 E CB -0.310 29.320 29.700 -0.117 0.000 0.749 11 E HN 0.409 nan 8.360 nan 0.000 0.450 12 L N 1.327 122.441 121.223 -0.181 0.000 2.201 12 L HA -0.143 4.197 4.340 0.001 0.000 0.212 12 L C 1.967 178.756 176.870 -0.135 0.000 1.105 12 L CA 1.401 56.124 54.840 -0.194 0.000 0.775 12 L CB -0.520 41.473 42.059 -0.111 0.000 0.913 12 L HN 0.070 nan 8.230 nan 0.000 0.440 13 D N -0.588 119.758 120.400 -0.091 0.000 2.075 13 D HA -0.208 4.432 4.640 0.001 0.000 0.196 13 D C 2.085 178.364 176.300 -0.034 0.000 0.985 13 D CA 1.072 55.044 54.000 -0.048 0.000 0.834 13 D CB 0.157 40.937 40.800 -0.034 0.000 0.987 13 D HN 0.240 nan 8.370 nan 0.000 0.452 14 Q N -0.118 119.652 119.800 -0.050 0.000 2.242 14 Q HA -0.185 4.155 4.340 0.001 0.000 0.211 14 Q C 2.115 178.132 176.000 0.028 0.000 0.992 14 Q CA 1.021 56.823 55.803 -0.001 0.000 0.889 14 Q CB -0.202 28.483 28.738 -0.088 0.000 0.913 14 Q HN 0.243 nan 8.270 nan 0.000 0.422 15 L N -0.703 120.449 121.223 -0.117 0.000 2.044 15 L HA -0.093 4.247 4.340 0.001 0.000 0.205 15 L C 1.799 178.625 176.870 -0.074 0.000 1.075 15 L CA 1.314 56.032 54.840 -0.204 0.000 0.747 15 L CB -0.246 41.519 42.059 -0.490 0.000 0.903 15 L HN 0.243 nan 8.230 nan 0.000 0.435 16 L N -0.307 120.896 121.223 -0.034 0.000 2.042 16 L HA -0.256 4.084 4.340 0.001 0.000 0.210 16 L C 2.215 179.119 176.870 0.058 0.000 1.076 16 L CA 1.709 56.575 54.840 0.043 0.000 0.749 16 L CB -0.571 41.512 42.059 0.040 0.000 0.893 16 L HN 0.521 nan 8.230 nan 0.000 0.432 17 Q N -0.006 119.824 119.800 0.051 0.000 2.344 17 Q HA 0.086 4.426 4.340 0.001 0.000 0.212 17 Q C 1.085 177.053 176.000 -0.054 0.000 0.943 17 Q CA 0.584 56.408 55.803 0.035 0.000 0.955 17 Q CB -0.075 28.712 28.738 0.082 0.000 1.000 17 Q HN 0.422 nan 8.270 nan 0.000 0.488 18 G N 0.630 109.420 108.800 -0.017 0.000 2.184 18 G HA2 -0.307 3.654 3.960 0.001 0.000 0.264 18 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 18 G C -0.255 174.597 174.900 -0.080 0.000 0.975 18 G CA 0.462 45.538 45.100 -0.040 0.000 0.642 18 G HN 0.679 nan 8.290 nan 0.000 0.536 19 H N -1.299 117.794 119.070 0.038 0.000 2.603 19 H HA 0.496 5.053 4.556 0.001 0.000 0.370 19 H C 0.091 175.466 175.328 0.079 0.000 1.225 19 H CA 0.222 56.302 56.048 0.054 0.000 1.410 19 H CB 0.545 30.317 29.762 0.017 0.000 1.495 19 H HN 0.285 nan 8.280 nan 0.000 0.602 20 Y N 1.436 121.827 120.300 0.151 0.000 2.326 20 Y HA 0.358 4.909 4.550 0.001 0.000 0.337 20 Y C -1.243 174.702 175.900 0.074 0.000 1.023 20 Y CA -0.831 57.328 58.100 0.098 0.000 1.143 20 Y CB 0.153 38.674 38.460 0.102 0.000 1.183 20 Y HN 0.400 nan 8.280 nan 0.000 0.485 21 I N 6.486 126.667 120.570 -0.647 0.000 2.433 21 I HA 0.245 4.415 4.170 0.001 0.000 0.292 21 I C -0.378 175.324 176.117 -0.691 0.000 1.001 21 I CA -0.930 60.070 61.300 -0.500 0.000 1.119 21 I CB 1.638 39.463 38.000 -0.292 0.000 1.289 21 I HN 0.511 nan 8.210 nan 0.000 0.438 22 K N 4.635 124.804 120.400 -0.384 0.000 2.491 22 K HA 0.200 4.521 4.320 0.001 0.000 0.279 22 K C 1.074 177.669 176.600 -0.009 0.000 1.026 22 K CA 1.371 57.582 56.287 -0.127 0.000 1.070 22 K CB -0.055 32.482 32.500 0.061 0.000 0.887 22 K HN 0.946 nan 8.250 nan 0.000 0.481 23 G N 3.751 112.585 108.800 0.056 0.000 2.284 23 G HA2 -0.263 3.698 3.960 0.001 0.000 0.216 23 G HA3 -0.263 3.698 3.960 0.001 0.000 0.216 23 G C -0.562 174.383 174.900 0.075 0.000 1.009 23 G CA -0.127 44.995 45.100 0.037 0.000 0.625 23 G HN 0.634 nan 8.290 nan 0.000 0.501 24 Y N 3.516 123.886 120.300 0.116 0.000 2.454 24 Y HA 0.485 5.035 4.550 0.001 0.000 0.345 24 Y C -1.714 174.398 175.900 0.353 0.000 0.970 24 Y CA -2.006 56.269 58.100 0.293 0.000 1.204 24 Y CB 1.147 39.597 38.460 -0.018 0.000 1.122 24 Y HN 0.043 nan 8.280 nan 0.000 0.514 25 P HA 0.026 nan 4.420 nan 0.000 0.266 25 P C 0.453 178.064 177.300 0.518 0.000 1.195 25 P CA 0.077 63.482 63.100 0.509 0.000 0.768 25 P CB 1.005 32.959 31.700 0.424 0.000 0.838 26 K N 2.777 123.415 120.400 0.397 0.000 2.217 26 K HA -0.150 4.171 4.320 0.001 0.000 0.202 26 K C 1.880 178.571 176.600 0.151 0.000 1.051 26 K CA 1.881 58.372 56.287 0.341 0.000 0.952 26 K CB -1.310 31.324 32.500 0.224 0.000 0.736 26 K HN 0.789 nan 8.250 nan 0.000 0.453 27 Q N -1.289 118.469 119.800 -0.070 0.000 2.482 27 Q HA 0.061 4.402 4.340 0.001 0.000 0.209 27 Q C -0.577 175.185 176.000 -0.397 0.000 0.961 27 Q CA 0.078 55.723 55.803 -0.264 0.000 0.945 27 Q CB -0.466 28.040 28.738 -0.386 0.000 1.012 27 Q HN 0.617 nan 8.270 nan 0.000 0.515 28 Y N 1.157 121.396 120.300 -0.101 0.000 2.409 28 Y HA 0.323 4.873 4.550 0.001 0.000 0.339 28 Y C 0.163 175.820 175.900 -0.405 0.000 1.033 28 Y CA -1.444 56.473 58.100 -0.305 0.000 1.094 28 Y CB 1.770 39.917 38.460 -0.520 0.000 1.210 28 Y HN -0.017 nan 8.280 nan 0.000 0.456 29 T N -0.415 114.082 114.554 -0.096 0.000 2.749 29 T HA 0.392 4.742 4.350 0.001 0.000 0.295 29 T C -1.018 173.654 174.700 -0.048 0.000 0.936 29 T CA -0.587 61.506 62.100 -0.011 0.000 1.060 29 T CB -0.342 68.582 68.868 0.094 0.000 0.904 29 T HN 0.377 nan 8.240 nan 0.000 0.500 30 Y N 4.404 124.809 120.300 0.175 0.000 2.518 30 Y HA 0.467 5.017 4.550 0.001 0.000 0.344 30 Y C 0.275 176.255 175.900 0.133 0.000 0.982 30 Y CA -1.645 56.507 58.100 0.086 0.000 1.234 30 Y CB -0.045 38.444 38.460 0.048 0.000 1.114 30 Y HN 0.759 nan 8.280 nan 0.000 0.515 31 F N 0.976 121.009 119.950 0.137 0.000 2.561 31 F HA 0.850 5.378 4.527 0.001 0.000 0.384 31 F C -1.156 174.697 175.800 0.089 0.000 1.131 31 F CA -1.665 56.392 58.000 0.094 0.000 1.133 31 F CB 0.744 39.776 39.000 0.052 0.000 1.506 31 F HN 0.207 nan 8.300 nan 0.000 0.499 32 L N 0.157 121.561 121.223 0.302 0.000 2.341 32 L HA 0.666 5.006 4.340 0.001 0.000 0.267 32 L C -1.314 175.716 176.870 0.266 0.000 1.009 32 L CA -0.408 54.530 54.840 0.163 0.000 0.819 32 L CB 2.085 44.215 42.059 0.118 0.000 1.323 32 L HN 0.922 nan 8.230 nan 0.000 0.425 33 E N 2.128 122.423 120.200 0.158 0.000 2.552 33 E HA 0.108 4.458 4.350 0.001 0.000 0.297 33 E C -1.299 175.358 176.600 0.095 0.000 1.038 33 E CA -0.482 56.018 56.400 0.167 0.000 0.856 33 E CB 0.925 30.791 29.700 0.277 0.000 1.222 33 E HN 0.770 nan 8.360 nan 0.000 0.422 34 D N 2.727 123.174 120.400 0.078 0.000 2.860 34 D HA -0.236 4.404 4.640 0.001 0.000 0.229 34 D C 0.630 176.959 176.300 0.047 0.000 1.169 34 D CA 2.049 56.083 54.000 0.055 0.000 0.737 34 D CB -1.124 39.706 40.800 0.050 0.000 1.080 34 D HN 1.052 nan 8.370 nan 0.000 0.424 35 G N -0.496 108.333 108.800 0.049 0.000 2.137 35 G HA2 -0.329 3.631 3.960 0.001 0.000 0.237 35 G HA3 -0.329 3.631 3.960 0.001 0.000 0.237 35 G C 0.106 175.029 174.900 0.038 0.000 1.002 35 G CA 0.742 45.866 45.100 0.040 0.000 0.702 35 G HN 0.473 nan 8.290 nan 0.000 0.515 36 K N -0.894 119.531 120.400 0.041 0.000 2.502 36 K HA 0.593 4.913 4.320 0.001 0.000 0.257 36 K C 0.026 176.634 176.600 0.012 0.000 0.938 36 K CA -0.857 55.451 56.287 0.036 0.000 0.819 36 K CB 2.791 35.322 32.500 0.051 0.000 1.333 36 K HN 0.104 nan 8.250 nan 0.000 0.434 37 V N 3.619 123.543 119.914 0.016 0.000 2.470 37 V HA 0.182 4.302 4.120 0.001 0.000 0.276 37 V C 0.007 176.066 176.094 -0.059 0.000 1.040 37 V CA -0.015 62.278 62.300 -0.012 0.000 1.008 37 V CB 0.240 32.080 31.823 0.029 0.000 0.990 37 V HN 0.616 nan 8.190 nan 0.000 0.477 38 K N 3.429 123.655 120.400 -0.289 0.000 2.313 38 K HA 0.900 5.220 4.320 0.001 0.000 0.235 38 K C -1.260 175.051 176.600 -0.482 0.000 1.035 38 K CA -0.929 55.093 56.287 -0.440 0.000 0.868 38 K CB 2.692 34.757 32.500 -0.727 0.000 1.232 38 K HN 0.388 nan 8.250 nan 0.000 0.459 39 V N -0.216 119.478 119.914 -0.366 0.000 2.969 39 V HA 0.237 4.358 4.120 0.001 0.000 0.304 39 V C -1.508 174.456 176.094 -0.217 0.000 1.192 39 V CA -0.477 61.646 62.300 -0.295 0.000 0.962 39 V CB 2.241 33.898 31.823 -0.277 0.000 1.045 39 V HN 0.759 nan 8.190 nan 0.000 0.428 40 S N 6.277 121.894 115.700 -0.139 0.000 2.592 40 S HA 0.539 5.010 4.470 0.001 0.000 0.305 40 S C -0.006 174.437 174.600 -0.261 0.000 1.118 40 S CA -0.538 57.617 58.200 -0.074 0.000 1.075 40 S CB -0.388 62.858 63.200 0.076 0.000 1.107 40 S HN 0.685 nan 8.310 nan 0.000 0.503 41 R N 3.461 123.739 120.500 -0.370 0.000 2.532 41 R HA 0.307 4.647 4.340 0.001 0.000 0.272 41 R C -1.646 174.509 176.300 -0.242 0.000 1.032 41 R CA -2.072 53.705 56.100 -0.539 0.000 1.089 41 R CB 0.271 30.192 30.300 -0.633 0.000 1.098 41 R HN 0.291 nan 8.270 nan 0.000 0.526 42 P HA -0.256 nan 4.420 nan 0.000 0.219 42 P C 0.390 177.655 177.300 -0.058 0.000 1.161 42 P CA 1.616 64.684 63.100 -0.053 0.000 0.909 42 P CB 0.247 31.937 31.700 -0.016 0.000 0.793 43 E N -1.095 119.061 120.200 -0.074 0.000 2.171 43 E HA 0.092 4.443 4.350 0.001 0.000 0.197 43 E C 1.399 177.971 176.600 -0.047 0.000 0.997 43 E CA 1.340 57.710 56.400 -0.050 0.000 0.810 43 E CB -0.610 29.064 29.700 -0.044 0.000 0.738 43 E HN 0.384 nan 8.360 nan 0.000 0.467 44 G N -1.567 107.193 108.800 -0.067 0.000 2.356 44 G HA2 0.126 4.086 3.960 0.001 0.000 0.266 44 G HA3 0.126 4.086 3.960 0.001 0.000 0.266 44 G C -1.564 173.300 174.900 -0.060 0.000 1.312 44 G CA -0.551 44.521 45.100 -0.047 0.000 0.922 44 G HN -0.018 nan 8.290 nan 0.000 0.480 45 V N 2.174 122.072 119.914 -0.027 0.000 2.350 45 V HA 0.607 4.728 4.120 0.001 0.000 0.276 45 V C -0.451 175.620 176.094 -0.037 0.000 1.028 45 V CA -0.600 61.690 62.300 -0.017 0.000 0.860 45 V CB 1.255 33.120 31.823 0.069 0.000 0.990 45 V HN 0.569 nan 8.190 nan 0.000 0.453 46 K N 4.693 125.065 120.400 -0.047 0.000 2.318 46 K HA 0.617 4.938 4.320 0.001 0.000 0.249 46 K C -0.652 175.976 176.600 0.047 0.000 0.942 46 K CA -0.818 55.471 56.287 0.002 0.000 0.808 46 K CB 2.911 35.464 32.500 0.088 0.000 1.189 46 K HN 0.442 nan 8.250 nan 0.000 0.428 47 I N 2.607 123.214 120.570 0.062 0.000 2.588 47 I HA 0.098 4.269 4.170 0.001 0.000 0.283 47 I C 0.451 176.811 176.117 0.404 0.000 1.119 47 I CA 0.003 61.406 61.300 0.171 0.000 1.419 47 I CB 0.275 38.368 38.000 0.156 0.000 1.394 47 I HN 0.294 nan 8.210 nan 0.000 0.562 48 I N 8.894 129.675 120.570 0.351 0.000 2.310 48 I HA 0.252 4.423 4.170 0.001 0.000 0.287 48 I C -2.044 174.244 176.117 0.285 0.000 1.073 48 I CA -1.884 59.681 61.300 0.441 0.000 1.216 48 I CB 0.432 38.718 38.000 0.476 0.000 1.415 48 I HN 0.308 nan 8.210 nan 0.000 0.480 49 P HA 0.204 nan 4.420 nan 0.000 0.274 49 P C -2.576 174.663 177.300 -0.101 0.000 1.231 49 P CA -1.696 61.405 63.100 0.002 0.000 0.790 49 P CB -0.154 31.410 31.700 -0.227 0.000 0.951 50 P HA 0.020 nan 4.420 nan 0.000 0.267 50 P C 1.071 178.230 177.300 -0.236 0.000 1.205 50 P CA 0.177 63.198 63.100 -0.131 0.000 0.765 50 P CB 0.602 32.244 31.700 -0.097 0.000 0.828 51 Q N 3.244 122.903 119.800 -0.235 0.000 2.224 51 Q HA -0.259 4.082 4.340 0.001 0.000 0.213 51 Q C 1.657 177.491 176.000 -0.276 0.000 0.998 51 Q CA 2.608 58.229 55.803 -0.303 0.000 0.895 51 Q CB -0.312 28.306 28.738 -0.200 0.000 0.926 51 Q HN 0.582 nan 8.270 nan 0.000 0.417 52 S N -1.038 114.544 115.700 -0.197 0.000 2.603 52 S HA -0.073 4.398 4.470 0.001 0.000 0.229 52 S C 0.765 175.260 174.600 -0.176 0.000 0.972 52 S CA 0.975 59.078 58.200 -0.160 0.000 0.935 52 S CB 0.247 63.379 63.200 -0.113 0.000 0.769 52 S HN 0.341 nan 8.310 nan 0.000 0.536 53 D N 0.973 121.232 120.400 -0.235 0.000 2.423 53 D HA 0.236 4.876 4.640 0.001 0.000 0.208 53 D C 1.973 178.075 176.300 -0.330 0.000 1.068 53 D CA 0.074 53.932 54.000 -0.238 0.000 0.860 53 D CB 0.073 40.742 40.800 -0.219 0.000 0.992 53 D HN 0.350 nan 8.370 nan 0.000 0.504 54 R N 0.678 120.892 120.500 -0.477 0.000 2.066 54 R HA -0.128 4.212 4.340 0.001 0.000 0.232 54 R C 2.205 178.304 176.300 -0.335 0.000 1.131 54 R CA 1.273 56.965 56.100 -0.681 0.000 0.955 54 R CB -0.189 29.434 30.300 -1.128 0.000 0.851 54 R HN 0.200 nan 8.270 nan 0.000 0.432 55 Q N 1.500 121.156 119.800 -0.240 0.000 2.077 55 Q HA -0.253 4.087 4.340 0.001 0.000 0.206 55 Q C 2.056 177.994 176.000 -0.102 0.000 0.989 55 Q CA 1.939 57.661 55.803 -0.135 0.000 0.853 55 Q CB -0.073 28.595 28.738 -0.117 0.000 0.907 55 Q HN 0.169 nan 8.270 nan 0.000 0.418 56 K N 0.019 120.349 120.400 -0.117 0.000 2.097 56 K HA -0.150 4.170 4.320 0.001 0.000 0.206 56 K C 2.049 178.611 176.600 -0.063 0.000 1.049 56 K CA 1.538 57.776 56.287 -0.081 0.000 0.933 56 K CB -0.136 32.314 32.500 -0.084 0.000 0.717 56 K HN 0.359 nan 8.250 nan 0.000 0.442 57 I N 0.410 120.922 120.570 -0.098 0.000 2.163 57 I HA -0.269 3.901 4.170 0.001 0.000 0.240 57 I C 2.193 178.329 176.117 0.031 0.000 1.081 57 I CA 0.867 62.130 61.300 -0.062 0.000 1.353 57 I CB -0.164 37.708 38.000 -0.213 0.000 1.054 57 I HN -0.039 nan 8.210 nan 0.000 0.407 58 V N 0.772 120.722 119.914 0.060 0.000 2.392 58 V HA -0.294 3.826 4.120 0.001 0.000 0.249 58 V C 2.379 178.497 176.094 0.040 0.000 1.059 58 V CA 1.789 64.136 62.300 0.079 0.000 1.051 58 V CB -0.554 31.317 31.823 0.080 0.000 0.658 58 V HN 0.368 nan 8.190 nan 0.000 0.455 59 L N -0.585 120.642 121.223 0.007 0.000 2.109 59 L HA -0.149 4.191 4.340 0.001 0.000 0.207 59 L C 2.477 179.359 176.870 0.019 0.000 1.086 59 L CA 1.808 56.651 54.840 0.005 0.000 0.760 59 L CB -0.465 41.581 42.059 -0.021 0.000 0.910 59 L HN 0.298 nan 8.230 nan 0.000 0.437 60 Q N -0.984 118.824 119.800 0.014 0.000 2.084 60 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 60 Q C 2.262 178.269 176.000 0.011 0.000 0.978 60 Q CA 1.610 57.420 55.803 0.012 0.000 0.844 60 Q CB -0.299 28.454 28.738 0.026 0.000 0.898 60 Q HN 0.685 nan 8.270 nan 0.000 0.426 61 A N 0.388 123.231 122.820 0.037 0.000 1.845 61 A HA -0.283 4.037 4.320 0.001 0.000 0.215 61 A C 1.794 179.371 177.584 -0.011 0.000 1.195 61 A CA 2.009 54.065 52.037 0.031 0.000 0.616 61 A CB -1.078 17.957 19.000 0.058 0.000 0.832 61 A HN 0.537 nan 8.150 nan 0.000 0.443 62 H N 0.286 119.307 119.070 -0.083 0.000 2.353 62 H HA -0.125 4.431 4.556 0.001 0.000 0.298 62 H C 1.687 176.862 175.328 -0.255 0.000 1.103 62 H CA 2.132 58.097 56.048 -0.138 0.000 1.293 62 H CB -0.107 29.572 29.762 -0.139 0.000 1.372 62 H HN 0.412 nan 8.280 nan 0.000 0.501 63 N N 0.187 118.730 118.700 -0.262 0.000 2.520 63 N HA -0.077 4.663 4.740 0.001 0.000 0.185 63 N C 1.836 177.175 175.510 -0.285 0.000 1.068 63 N CA 0.702 53.488 53.050 -0.440 0.000 0.911 63 N CB -0.109 38.263 38.487 -0.190 0.000 0.961 63 N HN 0.431 nan 8.380 nan 0.000 0.446 64 L N -0.055 121.060 121.223 -0.180 0.000 1.970 64 L HA -0.138 4.202 4.340 0.001 0.000 0.212 64 L C 1.554 178.381 176.870 -0.073 0.000 1.071 64 L CA 1.658 56.445 54.840 -0.088 0.000 0.751 64 L CB -0.258 41.765 42.059 -0.059 0.000 0.889 64 L HN 0.115 nan 8.230 nan 0.000 0.432 65 A N -3.485 119.266 122.820 -0.115 0.000 2.609 65 A HA 0.178 4.499 4.320 0.001 0.000 0.286 65 A C 0.059 177.609 177.584 -0.056 0.000 1.138 65 A CA -0.397 51.609 52.037 -0.050 0.000 0.960 65 A CB -0.244 18.735 19.000 -0.035 0.000 1.208 65 A HN 0.475 nan 8.150 nan 0.000 0.541 66 H N 1.432 120.297 119.070 -0.343 0.000 2.692 66 H HA -0.146 4.410 4.556 0.001 0.000 0.316 66 H C 0.328 175.383 175.328 -0.454 0.000 1.176 66 H CA 1.243 56.935 56.048 -0.594 0.000 1.142 66 H CB -1.906 27.731 29.762 -0.208 0.000 1.475 66 H HN 0.739 nan 8.280 nan 0.000 0.423 67 T N -2.082 112.240 114.554 -0.387 0.000 2.868 67 T HA 0.501 4.852 4.350 0.001 0.000 0.292 67 T C 1.358 176.098 174.700 0.067 0.000 1.028 67 T CA -0.257 61.786 62.100 -0.095 0.000 1.059 67 T CB 2.378 71.205 68.868 -0.068 0.000 0.991 67 T HN 0.393 nan 8.240 nan 0.000 0.531 68 G N 0.258 109.109 108.800 0.085 0.000 2.489 68 G HA2 0.237 4.197 3.960 0.001 0.000 0.271 68 G HA3 0.237 4.197 3.960 0.001 0.000 0.271 68 G C 0.848 175.788 174.900 0.067 0.000 1.427 68 G CA -0.640 44.525 45.100 0.109 0.000 1.057 68 G HN 0.831 nan 8.290 nan 0.000 0.532 69 R N -0.520 120.008 120.500 0.045 0.000 2.147 69 R HA -0.108 4.232 4.340 0.001 0.000 0.225 69 R C 2.471 178.769 176.300 -0.003 0.000 1.120 69 R CA 1.931 58.034 56.100 0.006 0.000 0.891 69 R CB -0.561 29.747 30.300 0.013 0.000 0.822 69 R HN 0.545 nan 8.270 nan 0.000 0.433 70 E N 0.271 120.472 120.200 0.001 0.000 2.070 70 E HA -0.207 4.144 4.350 0.001 0.000 0.197 70 E C 1.851 178.447 176.600 -0.008 0.000 1.004 70 E CA 1.559 57.954 56.400 -0.008 0.000 0.805 70 E CB -0.440 29.259 29.700 -0.002 0.000 0.744 70 E HN 0.513 nan 8.360 nan 0.000 0.451 71 A N 0.750 123.570 122.820 0.001 0.000 1.969 71 A HA -0.117 4.203 4.320 0.001 0.000 0.218 71 A C 2.410 179.989 177.584 -0.007 0.000 1.169 71 A CA 1.874 53.909 52.037 -0.004 0.000 0.635 71 A CB -0.666 18.333 19.000 -0.002 0.000 0.810 71 A HN 0.256 nan 8.150 nan 0.000 0.445 72 T N 0.101 114.656 114.554 0.003 0.000 2.770 72 T HA -0.103 4.248 4.350 0.001 0.000 0.263 72 T C 1.864 176.556 174.700 -0.014 0.000 1.039 72 T CA 1.360 63.464 62.100 0.008 0.000 1.142 72 T CB -0.414 68.486 68.868 0.052 0.000 0.868 72 T HN 0.346 nan 8.240 nan 0.000 0.435 73 L N 1.040 122.242 121.223 -0.035 0.000 2.013 73 L HA -0.062 4.279 4.340 0.001 0.000 0.212 73 L C 2.180 179.017 176.870 -0.056 0.000 1.073 73 L CA 1.652 56.449 54.840 -0.072 0.000 0.753 73 L CB -0.611 41.395 42.059 -0.088 0.000 0.890 73 L HN 0.211 nan 8.230 nan 0.000 0.432 74 L N -0.643 120.560 121.223 -0.034 0.000 2.127 74 L HA -0.211 4.129 4.340 0.001 0.000 0.211 74 L C 2.627 179.488 176.870 -0.014 0.000 1.089 74 L CA 1.008 55.834 54.840 -0.024 0.000 0.757 74 L CB -0.672 41.377 42.059 -0.016 0.000 0.899 74 L HN 0.228 nan 8.230 nan 0.000 0.434 75 K N 0.223 120.619 120.400 -0.006 0.000 2.001 75 K HA -0.060 4.261 4.320 0.001 0.000 0.208 75 K C 2.084 178.705 176.600 0.035 0.000 1.048 75 K CA 1.429 57.723 56.287 0.011 0.000 0.932 75 K CB -0.378 32.131 32.500 0.015 0.000 0.715 75 K HN 0.275 nan 8.250 nan 0.000 0.437 76 I N 1.196 121.791 120.570 0.041 0.000 2.163 76 I HA -0.284 3.887 4.170 0.001 0.000 0.243 76 I C 2.379 178.540 176.117 0.073 0.000 1.085 76 I CA 1.358 62.720 61.300 0.104 0.000 1.347 76 I CB -0.456 37.544 38.000 -0.001 0.000 1.044 76 I HN 0.056 nan 8.210 nan 0.000 0.408 77 A N 0.762 123.571 122.820 -0.019 0.000 2.076 77 A HA -0.223 4.098 4.320 0.001 0.000 0.220 77 A C 1.991 179.568 177.584 -0.012 0.000 1.160 77 A CA 1.746 53.770 52.037 -0.022 0.000 0.653 77 A CB -0.704 18.274 19.000 -0.036 0.000 0.801 77 A HN 0.441 nan 8.150 nan 0.000 0.455 78 N N -0.187 118.502 118.700 -0.020 0.000 2.149 78 N HA -0.097 4.643 4.740 0.001 0.000 0.188 78 N C 1.450 176.899 175.510 -0.101 0.000 1.019 78 N CA 1.531 54.555 53.050 -0.044 0.000 0.857 78 N CB -0.222 38.244 38.487 -0.034 0.000 0.997 78 N HN 0.568 nan 8.380 nan 0.000 0.426 79 L N -2.181 118.930 121.223 -0.185 0.000 2.577 79 L HA 0.190 4.530 4.340 0.001 0.000 0.225 79 L C -0.161 176.391 176.870 -0.531 0.000 1.053 79 L CA 0.148 54.709 54.840 -0.465 0.000 0.866 79 L CB 0.160 41.725 42.059 -0.823 0.000 1.132 79 L HN -0.014 nan 8.230 nan 0.000 0.486 80 Y N -1.860 118.488 120.300 0.079 0.000 2.621 80 Y HA 0.440 4.990 4.550 0.001 0.000 0.334 80 Y C -0.809 175.176 175.900 0.143 0.000 1.074 80 Y CA -1.140 57.049 58.100 0.149 0.000 1.149 80 Y CB 1.491 40.102 38.460 0.252 0.000 1.302 80 Y HN -0.098 nan 8.280 nan 0.000 0.501 81 W N 2.047 123.479 121.300 0.220 0.000 3.256 81 W HA 0.567 5.228 4.660 0.001 0.000 0.324 81 W C -2.281 174.385 176.519 0.245 0.000 1.196 81 W CA -1.175 56.191 57.345 0.036 0.000 1.206 81 W CB 1.359 30.815 29.460 -0.007 0.000 1.385 81 W HN 0.650 nan 8.180 nan 0.000 0.522 82 W N 3.627 124.306 121.300 -1.036 0.000 2.923 82 W HA 0.799 5.459 4.660 0.001 0.000 0.373 82 W C -3.065 172.327 176.519 -1.878 0.000 1.205 82 W CA -2.416 54.187 57.345 -1.238 0.000 1.180 82 W CB -0.056 29.125 29.460 -0.465 0.000 1.477 82 W HN 0.158 nan 8.180 nan 0.000 0.581 83 P HA 0.178 nan 4.420 nan 0.000 0.281 83 P C -0.746 176.352 177.300 -0.336 0.000 1.252 83 P CA 0.151 62.860 63.100 -0.651 0.000 0.778 83 P CB 0.560 31.986 31.700 -0.457 0.000 0.895 84 N N 2.105 120.606 118.700 -0.331 0.000 2.681 84 N HA -0.169 4.572 4.740 0.001 0.000 0.259 84 N C 0.608 175.983 175.510 -0.225 0.000 1.066 84 N CA 0.579 53.510 53.050 -0.199 0.000 0.717 84 N CB -1.374 37.059 38.487 -0.089 0.000 0.885 84 N HN 0.545 nan 8.380 nan 0.000 0.547 85 M N 0.123 119.440 119.600 -0.472 0.000 2.132 85 M HA -0.086 4.394 4.480 0.001 0.000 0.263 85 M C 2.079 178.226 176.300 -0.255 0.000 1.065 85 M CA 1.566 56.507 55.300 -0.598 0.000 1.122 85 M CB -0.085 31.943 32.600 -0.953 0.000 1.365 85 M HN 0.241 nan 8.290 nan 0.000 0.411 86 R N 0.170 120.546 120.500 -0.206 0.000 2.152 86 R HA -0.119 4.221 4.340 0.001 0.000 0.232 86 R C 2.103 178.355 176.300 -0.080 0.000 1.117 86 R CA 1.126 57.151 56.100 -0.124 0.000 0.981 86 R CB -0.238 30.004 30.300 -0.097 0.000 0.870 86 R HN 0.351 nan 8.270 nan 0.000 0.451 87 K N 0.442 120.804 120.400 -0.063 0.000 2.057 87 K HA -0.136 4.185 4.320 0.001 0.000 0.207 87 K C 1.513 178.100 176.600 -0.022 0.000 1.049 87 K CA 1.562 57.828 56.287 -0.035 0.000 0.931 87 K CB 0.037 32.522 32.500 -0.024 0.000 0.714 87 K HN 0.193 nan 8.250 nan 0.000 0.440 88 D N 0.169 120.584 120.400 0.024 0.000 2.144 88 D HA -0.118 4.522 4.640 0.001 0.000 0.200 88 D C 1.945 178.242 176.300 -0.005 0.000 0.978 88 D CA 0.927 54.955 54.000 0.047 0.000 0.833 88 D CB 0.036 40.954 40.800 0.197 0.000 0.961 88 D HN -0.021 nan 8.370 nan 0.000 0.470 89 V N 1.160 121.057 119.914 -0.028 0.000 2.295 89 V HA -0.204 3.916 4.120 0.001 0.000 0.246 89 V C 2.729 178.731 176.094 -0.154 0.000 1.049 89 V CA 1.063 63.317 62.300 -0.076 0.000 1.024 89 V CB -0.448 31.327 31.823 -0.080 0.000 0.648 89 V HN 0.039 nan 8.190 nan 0.000 0.447 90 V N -0.248 119.574 119.914 -0.152 0.000 2.343 90 V HA -0.295 3.825 4.120 0.001 0.000 0.247 90 V C 2.450 178.409 176.094 -0.224 0.000 1.051 90 V CA 2.232 64.392 62.300 -0.232 0.000 1.036 90 V CB -0.692 31.063 31.823 -0.113 0.000 0.654 90 V HN 0.540 nan 8.190 nan 0.000 0.451 91 K N -0.576 119.746 120.400 -0.129 0.000 2.089 91 K HA -0.277 4.044 4.320 0.001 0.000 0.210 91 K C 2.322 178.838 176.600 -0.141 0.000 1.048 91 K CA 1.768 57.993 56.287 -0.103 0.000 0.926 91 K CB -0.082 32.377 32.500 -0.070 0.000 0.714 91 K HN 0.380 nan 8.250 nan 0.000 0.448 92 Q N 0.428 120.122 119.800 -0.177 0.000 2.083 92 Q HA -0.073 4.267 4.340 0.001 0.000 0.198 92 Q C 2.262 178.070 176.000 -0.319 0.000 0.969 92 Q CA 1.058 56.728 55.803 -0.221 0.000 0.838 92 Q CB -0.177 28.427 28.738 -0.224 0.000 0.900 92 Q HN 0.389 nan 8.270 nan 0.000 0.436 93 L N -0.449 120.525 121.223 -0.415 0.000 2.042 93 L HA -0.142 4.199 4.340 0.001 0.000 0.210 93 L C 2.280 179.003 176.870 -0.245 0.000 1.076 93 L CA 1.326 55.883 54.840 -0.471 0.000 0.749 93 L CB -0.935 40.651 42.059 -0.790 0.000 0.893 93 L HN 0.261 nan 8.230 nan 0.000 0.432 94 G N -0.162 108.515 108.800 -0.204 0.000 2.470 94 G HA2 -0.192 3.768 3.960 0.001 0.000 0.220 94 G HA3 -0.192 3.768 3.960 0.001 0.000 0.220 94 G C 1.680 176.562 174.900 -0.030 0.000 1.121 94 G CA 0.263 45.365 45.100 0.004 0.000 0.766 94 G HN 0.366 nan 8.290 nan 0.000 0.553 95 R N -1.174 119.278 120.500 -0.080 0.000 2.362 95 R HA 0.175 4.515 4.340 0.001 0.000 0.227 95 R C 0.167 176.435 176.300 -0.054 0.000 0.905 95 R CA -0.340 55.723 56.100 -0.062 0.000 1.067 95 R CB 0.165 30.424 30.300 -0.068 0.000 1.078 95 R HN 0.222 nan 8.270 nan 0.000 0.516 96 C N 2.290 121.549 119.300 -0.068 0.000 2.383 96 C HA 0.117 4.578 4.460 0.001 0.000 0.350 96 C C 1.828 176.839 174.990 0.036 0.000 1.173 96 C CA -0.552 58.463 59.018 -0.004 0.000 1.645 96 C CB -0.051 27.689 27.740 -0.001 0.000 2.221 96 C HN 0.458 nan 8.230 nan 0.000 0.528 97 Q N 2.679 122.496 119.800 0.028 0.000 2.062 97 Q HA -0.245 4.096 4.340 0.001 0.000 0.209 97 Q C 2.085 178.100 176.000 0.025 0.000 0.996 97 Q CA 2.435 58.248 55.803 0.015 0.000 0.859 97 Q CB -0.136 28.606 28.738 0.008 0.000 0.920 97 Q HN 0.912 nan 8.270 nan 0.000 0.415 98 Q N -1.449 118.369 119.800 0.031 0.000 2.096 98 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 98 Q C 2.393 178.396 176.000 0.005 0.000 0.982 98 Q CA 1.741 57.532 55.803 -0.021 0.000 0.850 98 Q CB -0.345 28.310 28.738 -0.139 0.000 0.901 98 Q HN 0.458 nan 8.270 nan 0.000 0.422 99 C N 0.074 119.430 119.300 0.093 0.000 2.429 99 C HA -0.110 4.351 4.460 0.001 0.000 0.277 99 C C 2.445 177.474 174.990 0.064 0.000 1.262 99 C CA 0.601 59.695 59.018 0.127 0.000 1.733 99 C CB -0.902 26.985 27.740 0.246 0.000 2.010 99 C HN 0.487 nan 8.230 nan 0.000 0.483 100 L N 0.964 122.210 121.223 0.037 0.000 2.156 100 L HA -0.048 4.293 4.340 0.001 0.000 0.208 100 L C 2.248 179.101 176.870 -0.028 0.000 1.095 100 L CA 1.416 56.245 54.840 -0.019 0.000 0.770 100 L CB -0.484 41.560 42.059 -0.025 0.000 0.914 100 L HN 0.486 nan 8.230 nan 0.000 0.439 101 I N -5.215 115.376 120.570 0.035 0.000 3.603 101 I HA 0.045 4.215 4.170 0.001 0.000 0.297 101 I C 1.678 177.904 176.117 0.183 0.000 1.269 101 I CA 0.469 61.836 61.300 0.112 0.000 1.361 101 I CB -0.070 37.982 38.000 0.086 0.000 1.063 101 I HN -0.061 nan 8.210 nan 0.000 0.448 102 T N 0.251 114.875 114.554 0.117 0.000 3.046 102 T HA 0.185 4.535 4.350 0.001 0.000 0.242 102 T C 0.788 175.586 174.700 0.164 0.000 1.018 102 T CA -0.070 62.106 62.100 0.126 0.000 1.131 102 T CB -0.206 68.686 68.868 0.040 0.000 0.904 102 T HN 0.230 nan 8.240 nan 0.000 0.459 103 N N 2.134 120.893 118.700 0.098 0.000 2.416 103 N HA 0.395 5.135 4.740 0.001 0.000 0.246 103 N C 0.025 175.602 175.510 0.111 0.000 1.260 103 N CA -0.017 53.078 53.050 0.075 0.000 0.897 103 N CB 0.356 38.856 38.487 0.021 0.000 1.110 103 N HN 0.397 nan 8.380 nan 0.000 0.439 104 A N 0.699 123.598 122.820 0.133 0.000 2.327 104 A HA 0.315 4.636 4.320 0.001 0.000 0.255 104 A C 0.725 178.301 177.584 -0.014 0.000 1.099 104 A CA -0.314 51.834 52.037 0.184 0.000 0.801 104 A CB 0.168 19.265 19.000 0.162 0.000 1.062 104 A HN 0.571 nan 8.150 nan 0.000 0.496 105 S N -0.317 115.369 115.700 -0.024 0.000 2.617 105 S HA 0.336 4.806 4.470 0.001 0.000 0.269 105 S C 0.408 174.982 174.600 -0.043 0.000 1.292 105 S CA -0.092 58.022 58.200 -0.143 0.000 1.010 105 S CB 0.149 63.270 63.200 -0.132 0.000 0.944 105 S HN 0.879 nan 8.310 nan 0.000 0.536 106 N N 1.332 119.990 118.700 -0.070 0.000 2.377 106 N HA 0.265 5.005 4.740 0.001 0.000 0.259 106 N C -1.475 174.036 175.510 0.002 0.000 1.332 106 N CA -0.484 52.558 53.050 -0.014 0.000 0.877 106 N CB 0.013 38.490 38.487 -0.018 0.000 1.299 106 N HN 0.304 nan 8.380 nan 0.000 0.501 107 K N 0.442 120.846 120.400 0.006 0.000 2.376 107 K HA 0.741 5.061 4.320 0.001 0.000 0.257 107 K C -0.722 176.019 176.600 0.236 0.000 0.939 107 K CA -0.532 55.811 56.287 0.094 0.000 0.809 107 K CB 2.362 34.884 32.500 0.036 0.000 1.121 107 K HN 0.261 nan 8.250 nan 0.000 0.425 108 A N 1.717 124.677 122.820 0.233 0.000 2.286 108 A HA 0.479 4.800 4.320 0.001 0.000 0.286 108 A C -0.178 177.551 177.584 0.242 0.000 1.097 108 A CA -0.462 51.710 52.037 0.226 0.000 0.821 108 A CB 0.503 19.581 19.000 0.130 0.000 1.076 108 A HN 0.679 nan 8.150 nan 0.000 0.490 109 S N 0.044 115.830 115.700 0.143 0.000 2.559 109 S HA 0.333 4.804 4.470 0.001 0.000 0.282 109 S C 1.029 175.548 174.600 -0.135 0.000 1.336 109 S CA 0.242 58.382 58.200 -0.100 0.000 1.037 109 S CB 0.417 63.605 63.200 -0.020 0.000 0.853 109 S HN 1.129 nan 8.310 nan 0.000 0.523 110 G N 2.107 110.747 108.800 -0.267 0.000 2.667 110 G HA2 0.378 4.339 3.960 0.001 0.000 0.250 110 G HA3 0.378 4.339 3.960 0.001 0.000 0.250 110 G C -2.690 172.157 174.900 -0.088 0.000 1.212 110 G CA -1.154 43.850 45.100 -0.160 0.000 0.874 110 G HN 0.453 nan 8.290 nan 0.000 0.561 111 P HA 0.136 nan 4.420 nan 0.000 0.268 111 P C 0.573 177.861 177.300 -0.019 0.000 1.204 111 P CA -0.124 62.962 63.100 -0.023 0.000 0.768 111 P CB 0.501 32.193 31.700 -0.014 0.000 0.842 112 I N 0.294 120.864 120.570 0.000 0.000 2.872 112 I HA 0.047 4.218 4.170 0.001 0.000 0.291 112 I C 0.102 176.225 176.117 0.011 0.000 1.216 112 I CA -0.123 61.186 61.300 0.015 0.000 1.424 112 I CB -0.318 37.698 38.000 0.027 0.000 1.351 112 I HN 0.125 nan 8.210 nan 0.000 0.592 113 L N 5.317 126.554 121.223 0.022 0.000 2.395 113 L HA 0.387 4.727 4.340 0.001 0.000 0.269 113 L C 0.310 177.199 176.870 0.031 0.000 1.133 113 L CA -0.577 54.280 54.840 0.028 0.000 0.812 113 L CB 0.450 42.532 42.059 0.038 0.000 1.125 113 L HN 0.600 nan 8.230 nan 0.000 0.452 114 R N 2.563 123.088 120.500 0.041 0.000 2.423 114 R HA 0.352 4.693 4.340 0.001 0.000 0.293 114 R C -2.405 173.992 176.300 0.161 0.000 1.196 114 R CA -2.291 53.832 56.100 0.038 0.000 1.262 114 R CB 0.104 30.365 30.300 -0.066 0.000 1.116 114 R HN 0.292 nan 8.270 nan 0.000 0.566 115 P HA -0.092 nan 4.420 nan 0.000 0.266 115 P C -0.166 177.251 177.300 0.194 0.000 1.186 115 P CA 0.349 63.529 63.100 0.134 0.000 0.767 115 P CB 0.618 32.388 31.700 0.116 0.000 0.820 116 D N 1.700 122.118 120.400 0.029 0.000 2.443 116 D HA -0.008 4.632 4.640 0.001 0.000 0.239 116 D C 0.741 177.047 176.300 0.009 0.000 1.136 116 D CA 0.303 54.214 54.000 -0.148 0.000 0.879 116 D CB 0.418 41.119 40.800 -0.165 0.000 1.195 116 D HN 0.240 nan 8.370 nan 0.000 0.443 117 R N 2.769 123.277 120.500 0.012 0.000 2.522 117 R HA 0.074 4.415 4.340 0.001 0.000 0.284 117 R C -2.127 174.202 176.300 0.047 0.000 1.032 117 R CA -0.996 55.153 56.100 0.083 0.000 1.049 117 R CB 0.143 30.502 30.300 0.098 0.000 0.956 117 R HN 0.130 nan 8.270 nan 0.000 0.422 118 P HA -0.123 nan 4.420 nan 0.000 0.264 118 P C -0.226 177.092 177.300 0.031 0.000 1.173 118 P CA 0.411 63.551 63.100 0.066 0.000 0.761 118 P CB 0.535 32.297 31.700 0.104 0.000 0.794 119 Q N 1.122 120.929 119.800 0.012 0.000 2.187 119 Q HA -0.047 4.293 4.340 0.001 0.000 0.199 119 Q C 0.159 176.155 176.000 -0.005 0.000 0.957 119 Q CA 1.285 57.086 55.803 -0.003 0.000 0.857 119 Q CB 0.189 28.922 28.738 -0.010 0.000 0.929 119 Q HN 0.443 nan 8.270 nan 0.000 0.453 120 K N -0.000 120.401 120.400 0.002 0.000 2.385 120 K HA 0.391 4.712 4.320 0.001 0.000 0.248 120 K C -2.733 173.857 176.600 -0.015 0.000 0.955 120 K CA -2.319 53.967 56.287 -0.002 0.000 0.816 120 K CB 1.965 34.476 32.500 0.019 0.000 1.250 120 K HN -0.249 nan 8.250 nan 0.000 0.434 121 P HA -0.021 nan 4.420 nan 0.000 0.264 121 P C -0.613 176.629 177.300 -0.095 0.000 1.183 121 P CA 0.604 63.563 63.100 -0.234 0.000 0.763 121 P CB 0.042 31.536 31.700 -0.343 0.000 0.807 122 F N -0.563 119.433 119.950 0.076 0.000 2.656 122 F HA -0.273 4.254 4.527 0.001 0.000 0.381 122 F C 1.378 177.064 175.800 -0.191 0.000 0.603 122 F CA 0.712 58.645 58.000 -0.111 0.000 1.335 122 F CB -1.912 37.007 39.000 -0.134 0.000 1.836 122 F HN 0.272 nan 8.300 nan 0.000 0.290 123 D N 0.711 121.130 120.400 0.031 0.000 2.097 123 D HA -0.056 4.584 4.640 0.001 0.000 0.195 123 D C 1.026 177.294 176.300 -0.053 0.000 0.989 123 D CA 1.694 55.688 54.000 -0.010 0.000 0.827 123 D CB 0.065 40.871 40.800 0.010 0.000 0.966 123 D HN 0.344 nan 8.370 nan 0.000 0.456 124 K N -0.270 120.120 120.400 -0.015 0.000 2.565 124 K HA 0.191 4.512 4.320 0.001 0.000 0.249 124 K C -1.424 175.254 176.600 0.130 0.000 0.958 124 K CA -0.561 55.693 56.287 -0.055 0.000 0.806 124 K CB 1.212 33.657 32.500 -0.092 0.000 1.194 124 K HN -0.277 nan 8.250 nan 0.000 0.434 125 F N 3.351 123.222 119.950 -0.133 0.000 2.385 125 F HA 0.448 4.975 4.527 0.000 0.000 0.336 125 F C -0.033 175.599 175.800 -0.280 0.000 1.100 125 F CA -0.909 57.050 58.000 -0.069 0.000 1.116 125 F CB 0.617 39.613 39.000 -0.007 0.000 1.166 125 F HN 0.329 nan 8.300 nan 0.000 0.511 126 F N 3.984 124.043 119.950 0.181 0.000 2.444 126 F HA 0.582 5.109 4.527 0.001 0.000 0.342 126 F C 0.256 176.046 175.800 -0.017 0.000 1.121 126 F CA -0.851 57.187 58.000 0.064 0.000 0.997 126 F CB 1.333 40.335 39.000 0.003 0.000 1.130 126 F HN 0.252 nan 8.300 nan 0.000 0.454 127 I N -0.398 120.194 120.570 0.037 0.000 2.785 127 I HA 0.889 5.059 4.170 0.001 0.000 0.302 127 I C -1.592 174.432 176.117 -0.155 0.000 1.069 127 I CA -0.670 60.551 61.300 -0.131 0.000 1.045 127 I CB 2.472 40.286 38.000 -0.311 0.000 1.236 127 I HN 0.435 nan 8.210 nan 0.000 0.429 128 D N 1.765 122.129 120.400 -0.060 0.000 2.683 128 D HA 0.416 5.056 4.640 0.001 0.000 0.246 128 D C -2.069 174.282 176.300 0.085 0.000 1.238 128 D CA -0.314 53.778 54.000 0.153 0.000 0.759 128 D CB 1.659 42.543 40.800 0.140 0.000 1.349 128 D HN 0.563 nan 8.370 nan 0.000 0.426 129 Y N 0.530 120.985 120.300 0.259 0.000 2.420 129 Y HA 0.644 5.194 4.550 0.001 0.000 0.334 129 Y C 0.130 176.124 175.900 0.156 0.000 1.094 129 Y CA -0.634 57.582 58.100 0.193 0.000 1.126 129 Y CB 1.589 40.128 38.460 0.132 0.000 1.217 129 Y HN 0.218 nan 8.280 nan 0.000 0.462 130 I N 2.139 122.912 120.570 0.339 0.000 2.474 130 I HA 0.720 4.891 4.170 0.001 0.000 0.294 130 I C 0.195 176.408 176.117 0.161 0.000 1.005 130 I CA -0.178 61.220 61.300 0.163 0.000 1.113 130 I CB 1.641 39.649 38.000 0.014 0.000 1.289 130 I HN 0.806 nan 8.210 nan 0.000 0.436 131 G N 6.484 115.290 108.800 0.010 0.000 2.347 131 G HA2 0.036 3.997 3.960 0.001 0.000 0.341 131 G HA3 0.036 3.997 3.960 0.001 0.000 0.341 131 G C -3.203 171.533 174.900 -0.273 0.000 1.287 131 G CA -1.032 43.880 45.100 -0.314 0.000 0.984 131 G HN 0.390 nan 8.290 nan 0.000 0.526 132 P HA 0.526 nan 4.420 nan 0.000 0.275 132 P C 0.017 177.080 177.300 -0.395 0.000 1.227 132 P CA -0.165 62.444 63.100 -0.818 0.000 0.781 132 P CB 0.915 32.338 31.700 -0.462 0.000 0.906 133 L N 3.793 124.809 121.223 -0.344 0.000 2.416 133 L HA 0.471 4.811 4.340 0.001 0.000 0.263 133 L C -2.058 174.849 176.870 0.061 0.000 1.065 133 L CA -2.570 52.154 54.840 -0.192 0.000 0.798 133 L CB 0.550 42.316 42.059 -0.487 0.000 1.267 133 L HN 0.165 nan 8.230 nan 0.000 0.467 134 P HA 0.107 nan 4.420 nan 0.000 0.267 134 P C -2.474 175.038 177.300 0.353 0.000 1.205 134 P CA -0.876 62.353 63.100 0.215 0.000 0.765 134 P CB -0.208 31.615 31.700 0.204 0.000 0.828 135 P HA -0.033 nan 4.420 nan 0.000 0.260 135 P C -0.232 177.103 177.300 0.058 0.000 1.172 135 P CA 0.928 64.112 63.100 0.141 0.000 0.760 135 P CB 0.296 32.030 31.700 0.057 0.000 0.773 136 S N 3.101 118.752 115.700 -0.083 0.000 2.672 136 S HA 0.150 4.620 4.470 0.001 0.000 0.291 136 S C -0.175 174.254 174.600 -0.286 0.000 1.145 136 S CA -0.411 57.578 58.200 -0.352 0.000 1.013 136 S CB 0.228 62.801 63.200 -1.045 0.000 1.017 136 S HN 0.442 nan 8.310 nan 0.000 0.487 137 Q N 2.417 122.069 119.800 -0.248 0.000 2.436 137 Q HA -0.256 4.084 4.340 0.001 0.000 0.264 137 Q C 0.988 176.870 176.000 -0.197 0.000 1.093 137 Q CA 1.395 57.042 55.803 -0.260 0.000 0.994 137 Q CB -2.096 26.302 28.738 -0.567 0.000 1.434 137 Q HN 1.735 nan 8.270 nan 0.000 0.520 138 G N -1.805 106.898 108.800 -0.163 0.000 2.176 138 G HA2 -0.348 3.612 3.960 0.001 0.000 0.253 138 G HA3 -0.348 3.612 3.960 0.001 0.000 0.253 138 G C -0.185 174.555 174.900 -0.267 0.000 0.979 138 G CA 0.385 45.355 45.100 -0.218 0.000 0.641 138 G HN 0.357 nan 8.290 nan 0.000 0.530 139 Y N -0.661 119.620 120.300 -0.032 0.000 2.352 139 Y HA 0.680 5.231 4.550 0.001 0.000 0.326 139 Y C 1.506 177.605 175.900 0.332 0.000 1.166 139 Y CA -0.421 57.774 58.100 0.157 0.000 1.182 139 Y CB 1.301 39.869 38.460 0.179 0.000 1.216 139 Y HN -0.019 nan 8.280 nan 0.000 0.474 140 L N 1.025 122.601 121.223 0.589 0.000 2.948 140 L HA 0.280 4.621 4.340 0.001 0.000 0.259 140 L C -0.835 176.134 176.870 0.164 0.000 1.136 140 L CA -0.079 54.996 54.840 0.391 0.000 0.959 140 L CB 0.432 42.578 42.059 0.146 0.000 1.370 140 L HN 0.555 nan 8.230 nan 0.000 0.552 141 Y N -0.938 119.604 120.300 0.404 0.000 2.659 141 Y HA 0.650 5.200 4.550 0.000 0.000 0.333 141 Y C -0.289 175.806 175.900 0.324 0.000 1.064 141 Y CA -1.158 57.099 58.100 0.261 0.000 1.141 141 Y CB 2.195 40.777 38.460 0.203 0.000 1.316 141 Y HN -0.477 nan 8.280 nan 0.000 0.509 142 V N 2.399 122.562 119.914 0.416 0.000 2.577 142 V HA 0.264 4.384 4.120 0.001 0.000 0.303 142 V C -1.119 175.125 176.094 0.251 0.000 1.042 142 V CA -0.745 61.728 62.300 0.290 0.000 0.872 142 V CB 1.861 33.716 31.823 0.053 0.000 0.998 142 V HN 0.490 nan 8.190 nan 0.000 0.423 143 L N 6.920 128.236 121.223 0.156 0.000 2.313 143 L HA 0.562 4.902 4.340 0.001 0.000 0.282 143 L C -0.387 176.489 176.870 0.011 0.000 1.092 143 L CA 0.540 55.267 54.840 -0.188 0.000 0.831 143 L CB 1.211 43.164 42.059 -0.175 0.000 1.159 143 L HN 0.460 nan 8.230 nan 0.000 0.442 144 V N 6.171 126.050 119.914 -0.059 0.000 2.409 144 V HA 0.484 4.604 4.120 0.001 0.000 0.291 144 V C -0.444 175.656 176.094 0.010 0.000 1.020 144 V CA -0.679 61.628 62.300 0.012 0.000 0.848 144 V CB 1.747 33.566 31.823 -0.007 0.000 0.990 144 V HN 0.501 nan 8.190 nan 0.000 0.430 145 V N 5.685 125.646 119.914 0.077 0.000 2.409 145 V HA 0.539 4.660 4.120 0.001 0.000 0.291 145 V C -0.340 175.791 176.094 0.061 0.000 1.020 145 V CA -0.575 61.737 62.300 0.021 0.000 0.848 145 V CB 1.909 33.725 31.823 -0.011 0.000 0.990 145 V HN 0.596 nan 8.190 nan 0.000 0.430 146 V N 3.342 123.272 119.914 0.026 0.000 2.444 146 V HA 0.326 4.446 4.120 0.001 0.000 0.294 146 V C -0.292 175.887 176.094 0.142 0.000 1.022 146 V CA -0.686 61.659 62.300 0.074 0.000 0.850 146 V CB 1.897 33.758 31.823 0.063 0.000 0.992 146 V HN 0.968 nan 8.190 nan 0.000 0.426 147 D N 3.915 124.420 120.400 0.174 0.000 2.401 147 D HA 0.257 4.897 4.640 0.001 0.000 0.254 147 D C 1.450 177.908 176.300 0.263 0.000 1.192 147 D CA 0.941 55.120 54.000 0.299 0.000 0.885 147 D CB 1.754 42.706 40.800 0.254 0.000 1.147 147 D HN 0.591 nan 8.370 nan 0.000 0.478 148 G N 3.999 113.021 108.800 0.369 0.000 2.513 148 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 148 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 148 G C 1.291 176.296 174.900 0.174 0.000 1.160 148 G CA 0.730 46.047 45.100 0.361 0.000 0.767 148 G HN 0.561 nan 8.290 nan 0.000 0.571 149 M N 1.297 120.965 119.600 0.114 0.000 2.160 149 M HA -0.039 4.442 4.480 0.001 0.000 0.264 149 M C 2.711 179.023 176.300 0.021 0.000 1.073 149 M CA 2.299 57.629 55.300 0.050 0.000 1.142 149 M CB -0.822 31.783 32.600 0.008 0.000 1.358 149 M HN 0.395 nan 8.290 nan 0.000 0.422 150 T N -3.197 111.357 114.554 -0.000 0.000 3.009 150 T HA 0.255 4.605 4.350 0.001 0.000 0.258 150 T C 1.552 176.261 174.700 0.016 0.000 1.063 150 T CA 1.131 63.221 62.100 -0.016 0.000 1.139 150 T CB -0.225 68.601 68.868 -0.071 0.000 0.890 150 T HN 0.602 nan 8.240 nan 0.000 0.471 151 G N 0.934 109.751 108.800 0.028 0.000 2.176 151 G HA2 -0.244 3.717 3.960 0.001 0.000 0.253 151 G HA3 -0.244 3.717 3.960 0.001 0.000 0.253 151 G C -0.046 174.821 174.900 -0.054 0.000 0.979 151 G CA -0.034 45.061 45.100 -0.008 0.000 0.641 151 G HN 0.646 nan 8.290 nan 0.000 0.530 152 F N 2.408 122.235 119.950 -0.205 0.000 2.572 152 F HA 0.489 5.016 4.527 0.000 0.000 0.370 152 F C 0.714 176.241 175.800 -0.454 0.000 1.103 152 F CA 1.396 59.167 58.000 -0.381 0.000 1.286 152 F CB 0.870 39.563 39.000 -0.512 0.000 1.105 152 F HN 0.026 nan 8.300 nan 0.000 0.583 153 T N 5.801 119.837 114.554 -0.865 0.000 2.886 153 T HA 0.288 4.638 4.350 0.001 0.000 0.292 153 T C -1.218 173.130 174.700 -0.586 0.000 1.012 153 T CA -0.497 61.315 62.100 -0.480 0.000 0.982 153 T CB 0.991 69.650 68.868 -0.349 0.000 1.018 153 T HN 0.464 nan 8.240 nan 0.000 0.451 154 W N 3.111 124.338 121.300 -0.122 0.000 2.666 154 W HA 0.645 5.306 4.660 0.001 0.000 0.334 154 W C -1.065 175.344 176.519 -0.183 0.000 1.051 154 W CA -0.875 56.394 57.345 -0.126 0.000 1.224 154 W CB 1.515 31.009 29.460 0.057 0.000 1.405 154 W HN 0.310 nan 8.180 nan 0.000 0.513 155 L N 2.897 124.013 121.223 -0.178 0.000 2.365 155 L HA 0.518 4.858 4.340 0.001 0.000 0.273 155 L C -1.400 175.227 176.870 -0.405 0.000 1.000 155 L CA -1.045 53.696 54.840 -0.165 0.000 0.819 155 L CB 1.595 43.573 42.059 -0.134 0.000 1.284 155 L HN 0.293 nan 8.230 nan 0.000 0.418 156 Y N 2.613 122.958 120.300 0.075 0.000 2.386 156 Y HA 0.386 4.936 4.550 0.000 0.000 0.334 156 Y C -2.330 173.655 175.900 0.143 0.000 1.002 156 Y CA -2.431 55.720 58.100 0.085 0.000 1.068 156 Y CB 1.982 40.500 38.460 0.097 0.000 1.203 156 Y HN 0.359 nan 8.280 nan 0.000 0.443 157 P HA 0.148 nan 4.420 nan 0.000 0.276 157 P C -0.309 177.273 177.300 0.471 0.000 1.230 157 P CA -0.028 63.266 63.100 0.323 0.000 0.776 157 P CB 1.586 33.249 31.700 -0.062 0.000 0.888 158 T N -0.928 114.044 114.554 0.696 0.000 2.887 158 T HA 0.419 4.769 4.350 0.001 0.000 0.292 158 T C 0.699 175.786 174.700 0.645 0.000 1.087 158 T CA -0.787 61.717 62.100 0.672 0.000 1.009 158 T CB 1.867 71.025 68.868 0.483 0.000 1.203 158 T HN 0.200 nan 8.240 nan 0.000 0.518 159 K N -0.095 120.505 120.400 0.333 0.000 2.356 159 K HA 0.559 4.879 4.320 0.001 0.000 0.195 159 K C 0.561 177.252 176.600 0.151 0.000 1.037 159 K CA 0.179 56.567 56.287 0.168 0.000 1.014 159 K CB 0.579 33.054 32.500 -0.043 0.000 0.815 159 K HN 0.766 nan 8.250 nan 0.000 0.507 160 A N 1.341 124.150 122.820 -0.019 0.000 2.612 160 A HA 0.386 4.706 4.320 0.001 0.000 0.293 160 A C -2.780 174.317 177.584 -0.811 0.000 1.075 160 A CA -1.191 50.599 52.037 -0.412 0.000 0.680 160 A CB 1.180 20.015 19.000 -0.276 0.000 1.279 160 A HN -0.167 nan 8.150 nan 0.000 0.411 161 P HA 0.166 nan 4.420 nan 0.000 0.220 161 P C -0.127 176.593 177.300 -0.967 0.000 1.806 161 P CA 0.223 62.264 63.100 -1.765 0.000 0.976 161 P CB -0.413 30.326 31.700 -1.601 0.000 1.952 162 S N -1.027 114.335 115.700 -0.564 0.000 2.617 162 S HA 0.312 4.782 4.470 0.001 0.000 0.283 162 S C 1.383 175.869 174.600 -0.189 0.000 1.189 162 S CA -0.334 57.680 58.200 -0.310 0.000 1.036 162 S CB 0.721 63.802 63.200 -0.197 0.000 1.014 162 S HN 0.040 nan 8.310 nan 0.000 0.522 163 T N 2.404 116.860 114.554 -0.164 0.000 2.635 163 T HA -0.187 4.164 4.350 0.001 0.000 0.267 163 T C 2.283 176.960 174.700 -0.037 0.000 1.040 163 T CA 2.232 64.278 62.100 -0.090 0.000 1.156 163 T CB -0.893 67.971 68.868 -0.008 0.000 0.863 163 T HN 0.934 nan 8.240 nan 0.000 0.430 164 S N 1.968 117.650 115.700 -0.030 0.000 2.387 164 S HA -0.088 4.382 4.470 0.001 0.000 0.230 164 S C 2.332 176.928 174.600 -0.007 0.000 1.035 164 S CA 1.199 59.392 58.200 -0.010 0.000 1.014 164 S CB -0.584 62.613 63.200 -0.004 0.000 0.836 164 S HN 0.534 nan 8.310 nan 0.000 0.466 165 A N 1.254 124.076 122.820 0.004 0.000 1.970 165 A HA 0.112 4.432 4.320 0.001 0.000 0.216 165 A C 2.367 179.979 177.584 0.047 0.000 1.170 165 A CA 1.527 53.599 52.037 0.058 0.000 0.645 165 A CB -1.317 17.749 19.000 0.110 0.000 0.816 165 A HN 0.572 nan 8.150 nan 0.000 0.447 166 T N -0.224 114.351 114.554 0.035 0.000 2.708 166 T HA -0.124 4.226 4.350 0.001 0.000 0.266 166 T C 1.885 176.474 174.700 -0.186 0.000 1.037 166 T CA 1.650 63.732 62.100 -0.030 0.000 1.146 166 T CB -0.416 68.426 68.868 -0.044 0.000 0.865 166 T HN 0.129 nan 8.240 nan 0.000 0.435 167 V N 1.608 121.396 119.914 -0.211 0.000 2.295 167 V HA -0.191 3.929 4.120 0.001 0.000 0.246 167 V C 2.514 178.483 176.094 -0.209 0.000 1.049 167 V CA 1.597 63.650 62.300 -0.412 0.000 1.024 167 V CB -0.493 31.134 31.823 -0.327 0.000 0.648 167 V HN 0.479 nan 8.190 nan 0.000 0.447 168 K N 0.080 120.428 120.400 -0.087 0.000 2.044 168 K HA -0.198 4.123 4.320 0.001 0.000 0.210 168 K C 2.371 178.915 176.600 -0.094 0.000 1.049 168 K CA 1.979 58.249 56.287 -0.029 0.000 0.927 168 K CB -0.446 32.068 32.500 0.024 0.000 0.713 168 K HN 0.410 nan 8.250 nan 0.000 0.443 169 S N 1.472 117.046 115.700 -0.209 0.000 2.368 169 S HA -0.080 4.391 4.470 0.001 0.000 0.225 169 S C 1.971 176.238 174.600 -0.555 0.000 1.030 169 S CA 1.072 58.937 58.200 -0.559 0.000 0.999 169 S CB -0.198 62.530 63.200 -0.787 0.000 0.844 169 S HN 0.205 nan 8.310 nan 0.000 0.459 170 L N 1.556 122.582 121.223 -0.328 0.000 2.291 170 L HA -0.032 4.308 4.340 0.001 0.000 0.214 170 L C 2.016 178.957 176.870 0.118 0.000 1.120 170 L CA 0.488 55.252 54.840 -0.127 0.000 0.799 170 L CB -0.612 41.360 42.059 -0.144 0.000 0.925 170 L HN 0.250 nan 8.230 nan 0.000 0.446 171 N N 0.117 118.895 118.700 0.130 0.000 2.084 171 N HA -0.151 4.589 4.740 0.001 0.000 0.190 171 N C 1.901 177.470 175.510 0.099 0.000 1.030 171 N CA 1.241 54.406 53.050 0.191 0.000 0.849 171 N CB -0.472 38.124 38.487 0.181 0.000 1.012 171 N HN 0.098 nan 8.380 nan 0.000 0.423 172 V N 1.402 121.345 119.914 0.048 0.000 2.407 172 V HA -0.159 3.961 4.120 0.001 0.000 0.248 172 V C 2.268 178.421 176.094 0.098 0.000 1.055 172 V CA 1.033 63.388 62.300 0.091 0.000 1.049 172 V CB -0.472 31.441 31.823 0.149 0.000 0.662 172 V HN 0.214 nan 8.190 nan 0.000 0.455 173 L N 1.123 122.365 121.223 0.031 0.000 2.095 173 L HA -0.057 4.284 4.340 0.001 0.000 0.204 173 L C 2.521 179.374 176.870 -0.028 0.000 1.080 173 L CA 2.644 57.466 54.840 -0.030 0.000 0.759 173 L CB -1.135 40.825 42.059 -0.165 0.000 0.914 173 L HN 0.519 nan 8.230 nan 0.000 0.439 174 T N -4.038 110.537 114.554 0.035 0.000 3.160 174 T HA 0.002 4.352 4.350 0.001 0.000 0.257 174 T C 1.781 176.467 174.700 -0.023 0.000 1.147 174 T CA 0.839 62.946 62.100 0.011 0.000 1.064 174 T CB -0.666 68.234 68.868 0.053 0.000 0.949 174 T HN 0.299 nan 8.240 nan 0.000 0.526 175 S N 1.382 117.091 115.700 0.014 0.000 2.420 175 S HA -0.039 4.431 4.470 0.001 0.000 0.237 175 S C 1.695 176.290 174.600 -0.008 0.000 1.023 175 S CA 0.877 59.084 58.200 0.012 0.000 0.991 175 S CB -0.309 62.922 63.200 0.052 0.000 0.792 175 S HN 0.436 nan 8.310 nan 0.000 0.488 176 I N 0.393 120.957 120.570 -0.010 0.000 2.429 176 I HA 0.295 4.465 4.170 0.001 0.000 0.247 176 I C 1.077 177.084 176.117 -0.183 0.000 1.099 176 I CA 0.361 61.655 61.300 -0.011 0.000 1.422 176 I CB -1.328 36.751 38.000 0.130 0.000 1.112 176 I HN 0.222 nan 8.210 nan 0.000 0.430 177 A N 0.096 122.724 122.820 -0.320 0.000 2.586 177 A HA 0.673 4.993 4.320 0.001 0.000 0.290 177 A C -1.269 176.052 177.584 -0.439 0.000 1.086 177 A CA -0.478 51.200 52.037 -0.600 0.000 0.665 177 A CB 1.279 19.354 19.000 -1.541 0.000 1.279 177 A HN -0.032 nan 8.150 nan 0.000 0.423 178 I N 1.907 122.222 120.570 -0.425 0.000 2.433 178 I HA 0.438 4.608 4.170 0.001 0.000 0.292 178 I C -2.336 173.573 176.117 -0.347 0.000 1.001 178 I CA -1.771 59.341 61.300 -0.313 0.000 1.119 178 I CB 1.901 39.747 38.000 -0.256 0.000 1.289 178 I HN 0.485 nan 8.210 nan 0.000 0.438 179 P HA 0.363 nan 4.420 nan 0.000 0.284 179 P C 0.027 177.153 177.300 -0.291 0.000 1.258 179 P CA -0.605 62.209 63.100 -0.476 0.000 0.824 179 P CB 1.756 32.819 31.700 -1.061 0.000 1.038 180 K N 0.153 120.434 120.400 -0.198 0.000 2.026 180 K HA 0.039 4.359 4.320 0.001 0.000 0.208 180 K C 0.418 176.950 176.600 -0.114 0.000 1.048 180 K CA 1.200 57.409 56.287 -0.129 0.000 0.929 180 K CB -0.083 32.370 32.500 -0.079 0.000 0.713 180 K HN 0.272 nan 8.250 nan 0.000 0.439 181 V N 1.264 121.092 119.914 -0.144 0.000 2.760 181 V HA 0.348 4.469 4.120 0.001 0.000 0.309 181 V C -0.806 175.176 176.094 -0.188 0.000 1.077 181 V CA -0.789 61.435 62.300 -0.127 0.000 0.910 181 V CB 2.188 33.967 31.823 -0.074 0.000 1.008 181 V HN 0.074 nan 8.190 nan 0.000 0.424 182 I N 3.123 123.578 120.570 -0.192 0.000 2.389 182 I HA 0.422 4.593 4.170 0.001 0.000 0.288 182 I C -0.585 175.357 176.117 -0.291 0.000 0.999 182 I CA -0.436 60.775 61.300 -0.148 0.000 1.129 182 I CB 1.485 39.471 38.000 -0.024 0.000 1.288 182 I HN 0.741 nan 8.210 nan 0.000 0.444 183 H N 5.479 124.287 119.070 -0.437 0.000 2.467 183 H HA 0.619 5.175 4.556 0.001 0.000 0.326 183 H C -0.429 174.712 175.328 -0.313 0.000 1.094 183 H CA -0.194 55.586 56.048 -0.445 0.000 1.253 183 H CB 1.137 30.521 29.762 -0.631 0.000 1.439 183 H HN 0.627 nan 8.280 nan 0.000 0.479 184 S N 2.891 118.385 115.700 -0.342 0.000 2.651 184 S HA 0.299 4.770 4.470 0.001 0.000 0.279 184 S C -0.885 173.777 174.600 0.102 0.000 1.148 184 S CA -0.928 57.198 58.200 -0.123 0.000 0.837 184 S CB 1.529 64.372 63.200 -0.594 0.000 1.138 184 S HN 0.785 nan 8.310 nan 0.000 0.478 185 D N 0.214 120.783 120.400 0.282 0.000 2.414 185 D HA 0.179 4.819 4.640 0.001 0.000 0.259 185 D C 0.229 176.769 176.300 0.400 0.000 1.269 185 D CA -0.328 53.864 54.000 0.320 0.000 1.028 185 D CB -0.007 40.950 40.800 0.262 0.000 1.093 185 D HN 0.649 nan 8.370 nan 0.000 0.545 186 Q N -0.771 119.162 119.800 0.221 0.000 2.244 186 Q HA 0.258 4.598 4.340 0.001 0.000 0.239 186 Q C 0.418 176.440 176.000 0.036 0.000 0.890 186 Q CA -0.439 55.439 55.803 0.125 0.000 0.964 186 Q CB 0.440 29.153 28.738 -0.043 0.000 1.076 186 Q HN 0.558 nan 8.270 nan 0.000 0.447 187 G N 0.121 108.973 108.800 0.087 0.000 2.484 187 G HA2 0.108 4.069 3.960 0.001 0.000 0.235 187 G HA3 0.108 4.069 3.960 0.001 0.000 0.235 187 G C 1.033 175.811 174.900 -0.203 0.000 1.282 187 G CA 0.247 45.280 45.100 -0.112 0.000 0.857 187 G HN 0.369 nan 8.290 nan 0.000 0.571 188 A N 2.533 125.222 122.820 -0.217 0.000 1.915 188 A HA -0.082 4.238 4.320 0.001 0.000 0.220 188 A C 2.847 180.274 177.584 -0.261 0.000 1.198 188 A CA 3.001 54.920 52.037 -0.197 0.000 0.647 188 A CB -0.941 17.949 19.000 -0.183 0.000 0.825 188 A HN 1.620 nan 8.150 nan 0.000 0.456 189 A N -1.585 120.948 122.820 -0.478 0.000 1.986 189 A HA -0.021 4.299 4.320 0.001 0.000 0.220 189 A C 1.742 179.024 177.584 -0.503 0.000 1.171 189 A CA 1.820 53.514 52.037 -0.572 0.000 0.640 189 A CB -0.643 17.863 19.000 -0.822 0.000 0.811 189 A HN 0.547 nan 8.150 nan 0.000 0.451 190 F N -0.353 119.490 119.950 -0.177 0.000 2.746 190 F HA 0.103 4.631 4.527 0.001 0.000 0.297 190 F C 2.177 178.161 175.800 0.307 0.000 1.113 190 F CA 1.054 58.929 58.000 -0.208 0.000 1.367 190 F CB -0.626 38.334 39.000 -0.067 0.000 1.111 190 F HN 0.250 nan 8.300 nan 0.000 0.590 191 T N -3.072 111.655 114.554 0.289 0.000 3.069 191 T HA 0.137 4.487 4.350 0.001 0.000 0.252 191 T C 0.845 175.616 174.700 0.118 0.000 1.053 191 T CA 0.111 62.298 62.100 0.144 0.000 0.964 191 T CB -0.593 68.216 68.868 -0.098 0.000 1.005 191 T HN 0.097 nan 8.240 nan 0.000 0.532 192 S N 1.799 117.590 115.700 0.151 0.000 2.585 192 S HA 0.265 4.735 4.470 0.001 0.000 0.273 192 S C 1.587 176.298 174.600 0.185 0.000 1.339 192 S CA -0.084 58.188 58.200 0.120 0.000 1.028 192 S CB 1.310 64.563 63.200 0.087 0.000 0.906 192 S HN 0.396 nan 8.310 nan 0.000 0.528 193 S N 1.954 117.727 115.700 0.121 0.000 2.402 193 S HA -0.118 4.352 4.470 0.001 0.000 0.229 193 S C 1.722 176.409 174.600 0.145 0.000 1.021 193 S CA 1.223 59.495 58.200 0.120 0.000 0.974 193 S CB -1.480 61.763 63.200 0.072 0.000 0.800 193 S HN 0.808 nan 8.310 nan 0.000 0.484 194 T N 1.831 116.473 114.554 0.147 0.000 2.699 194 T HA -0.066 4.284 4.350 0.001 0.000 0.268 194 T C 1.258 176.107 174.700 0.247 0.000 1.036 194 T CA 1.619 63.818 62.100 0.164 0.000 1.147 194 T CB -0.559 68.391 68.868 0.136 0.000 0.862 194 T HN 0.473 nan 8.240 nan 0.000 0.446 195 F N 1.861 121.894 119.950 0.138 0.000 2.206 195 F HA 0.139 4.666 4.527 0.000 0.000 0.298 195 F C 2.415 178.378 175.800 0.272 0.000 1.090 195 F CA 0.634 58.747 58.000 0.189 0.000 1.323 195 F CB -0.657 38.441 39.000 0.164 0.000 1.028 195 F HN 0.133 nan 8.300 nan 0.000 0.492 196 A N -0.030 122.923 122.820 0.221 0.000 1.940 196 A HA -0.232 4.088 4.320 0.001 0.000 0.219 196 A C 2.127 179.737 177.584 0.044 0.000 1.176 196 A CA 2.030 54.139 52.037 0.120 0.000 0.631 196 A CB -0.873 18.223 19.000 0.160 0.000 0.814 196 A HN 0.529 nan 8.150 nan 0.000 0.446 197 E N -1.659 118.588 120.200 0.078 0.000 2.031 197 E HA -0.232 4.119 4.350 0.001 0.000 0.193 197 E C 1.745 178.359 176.600 0.023 0.000 0.994 197 E CA 1.382 57.811 56.400 0.049 0.000 0.800 197 E CB -0.289 29.458 29.700 0.077 0.000 0.752 197 E HN 0.855 nan 8.360 nan 0.000 0.447 198 W N 1.304 122.524 121.300 -0.134 0.000 2.342 198 W HA -0.248 4.413 4.660 0.000 0.000 0.297 198 W C 2.169 178.546 176.519 -0.237 0.000 1.213 198 W CA 2.074 59.320 57.345 -0.164 0.000 1.251 198 W CB -0.173 29.192 29.460 -0.158 0.000 1.136 198 W HN 0.047 nan 8.180 nan 0.000 0.526 199 A N 0.333 123.054 122.820 -0.164 0.000 1.897 199 A HA -0.159 4.161 4.320 0.001 0.000 0.215 199 A C 2.059 179.444 177.584 -0.332 0.000 1.181 199 A CA 1.767 53.590 52.037 -0.355 0.000 0.620 199 A CB -0.886 17.983 19.000 -0.217 0.000 0.821 199 A HN 0.350 nan 8.150 nan 0.000 0.443 200 K N -0.239 120.044 120.400 -0.196 0.000 2.026 200 K HA -0.178 4.142 4.320 0.001 0.000 0.208 200 K C 1.854 178.341 176.600 -0.188 0.000 1.048 200 K CA 1.553 57.754 56.287 -0.144 0.000 0.929 200 K CB -0.234 32.222 32.500 -0.073 0.000 0.713 200 K HN 0.568 nan 8.250 nan 0.000 0.439 201 E N -0.223 119.849 120.200 -0.213 0.000 2.279 201 E HA -0.240 4.111 4.350 0.001 0.000 0.205 201 E C 1.404 177.821 176.600 -0.305 0.000 1.028 201 E CA 1.429 57.684 56.400 -0.241 0.000 0.830 201 E CB 0.055 29.595 29.700 -0.268 0.000 0.736 201 E HN 0.250 nan 8.360 nan 0.000 0.478 202 R N -1.860 118.400 120.500 -0.401 0.000 2.476 202 R HA 0.158 4.498 4.340 0.001 0.000 0.276 202 R C 0.893 177.016 176.300 -0.295 0.000 0.941 202 R CA 0.427 56.287 56.100 -0.401 0.000 1.088 202 R CB 1.308 31.235 30.300 -0.621 0.000 1.216 202 R HN 0.166 nan 8.270 nan 0.000 0.533 203 G N 1.809 110.468 108.800 -0.236 0.000 2.153 203 G HA2 -0.283 3.678 3.960 0.001 0.000 0.252 203 G HA3 -0.283 3.678 3.960 0.001 0.000 0.252 203 G C 0.094 174.899 174.900 -0.159 0.000 0.994 203 G CA 0.025 45.024 45.100 -0.168 0.000 0.698 203 G HN 0.237 nan 8.290 nan 0.000 0.521 204 I N 0.723 121.170 120.570 -0.204 0.000 2.371 204 I HA 0.302 4.472 4.170 0.001 0.000 0.290 204 I C 0.744 176.812 176.117 -0.082 0.000 1.028 204 I CA -1.046 60.154 61.300 -0.166 0.000 1.345 204 I CB 0.899 38.765 38.000 -0.224 0.000 1.407 204 I HN 0.224 nan 8.210 nan 0.000 0.501 205 H N 7.179 126.165 119.070 -0.140 0.000 2.742 205 H HA 0.365 4.922 4.556 0.001 0.000 0.302 205 H C -0.791 174.458 175.328 -0.133 0.000 1.069 205 H CA -0.292 55.690 56.048 -0.111 0.000 1.446 205 H CB 0.545 30.253 29.762 -0.091 0.000 1.462 205 H HN 0.440 nan 8.280 nan 0.000 0.499 206 L N 5.104 126.011 121.223 -0.527 0.000 2.319 206 L HA 0.228 4.568 4.340 0.001 0.000 0.280 206 L C 0.462 176.774 176.870 -0.930 0.000 1.099 206 L CA 0.059 54.524 54.840 -0.624 0.000 0.828 206 L CB 0.640 42.483 42.059 -0.360 0.000 1.150 206 L HN 0.678 nan 8.230 nan 0.000 0.442 207 E N 3.532 123.198 120.200 -0.890 0.000 2.191 207 E HA 0.449 4.799 4.350 0.001 0.000 0.263 207 E C -1.581 174.490 176.600 -0.881 0.000 0.881 207 E CA -0.625 55.380 56.400 -0.659 0.000 0.757 207 E CB 1.305 30.768 29.700 -0.396 0.000 1.147 207 E HN 0.274 nan 8.360 nan 0.000 0.414 208 F N 1.476 121.214 119.950 -0.355 0.000 2.480 208 F HA 0.333 4.860 4.527 0.000 0.000 0.329 208 F C 0.733 176.399 175.800 -0.225 0.000 1.091 208 F CA -0.710 57.100 58.000 -0.315 0.000 0.972 208 F CB 1.971 40.907 39.000 -0.107 0.000 1.150 208 F HN 0.260 nan 8.300 nan 0.000 0.467 209 S N 0.742 116.503 115.700 0.100 0.000 2.568 209 S HA 0.150 4.620 4.470 0.001 0.000 0.282 209 S C 0.045 174.785 174.600 0.234 0.000 1.338 209 S CA -0.742 57.650 58.200 0.320 0.000 1.045 209 S CB 0.331 63.776 63.200 0.409 0.000 0.873 209 S HN 0.707 nan 8.310 nan 0.000 0.516 210 T N 2.174 116.858 114.554 0.217 0.000 2.937 210 T HA 0.213 4.563 4.350 0.001 0.000 0.316 210 T C -2.438 172.362 174.700 0.167 0.000 1.079 210 T CA -1.221 60.972 62.100 0.154 0.000 1.131 210 T CB -0.290 68.641 68.868 0.105 0.000 1.000 210 T HN 0.327 nan 8.240 nan 0.000 0.549 211 P HA 0.147 nan 4.420 nan 0.000 0.274 211 P C -0.551 176.856 177.300 0.179 0.000 1.231 211 P CA -0.467 62.660 63.100 0.044 0.000 0.790 211 P CB -0.085 31.618 31.700 0.005 0.000 0.951 212 Y N -1.007 119.383 120.300 0.150 0.000 3.078 212 Y HA -0.231 4.319 4.550 0.001 0.000 0.202 212 Y C 0.546 176.574 175.900 0.213 0.000 1.322 212 Y CA 1.185 59.370 58.100 0.141 0.000 1.118 212 Y CB -2.681 35.840 38.460 0.101 0.000 1.343 212 Y HN 0.596 nan 8.280 nan 0.000 0.499 213 H N 0.322 119.500 119.070 0.180 0.000 2.733 213 H HA 0.155 4.711 4.556 0.001 0.000 0.230 213 H C -2.271 173.134 175.328 0.128 0.000 1.402 213 H CA -1.097 55.041 56.048 0.150 0.000 1.464 213 H CB 1.401 31.251 29.762 0.147 0.000 1.877 213 H HN 0.035 nan 8.280 nan 0.000 0.593 214 P HA -0.120 nan 4.420 nan 0.000 0.225 214 P C 1.039 178.277 177.300 -0.102 0.000 1.148 214 P CA 0.702 63.796 63.100 -0.010 0.000 0.779 214 P CB 0.492 32.198 31.700 0.011 0.000 0.780 215 Q N 0.092 119.714 119.800 -0.297 0.000 2.197 215 Q HA -0.119 4.221 4.340 0.001 0.000 0.207 215 Q C 2.434 178.363 176.000 -0.118 0.000 0.984 215 Q CA 1.799 57.449 55.803 -0.254 0.000 0.869 215 Q CB -1.129 27.380 28.738 -0.382 0.000 0.906 215 Q HN 0.230 nan 8.270 nan 0.000 0.426 216 S N -0.150 115.546 115.700 -0.008 0.000 2.382 216 S HA -0.079 4.391 4.470 0.001 0.000 0.228 216 S C 1.474 176.088 174.600 0.024 0.000 1.027 216 S CA 1.109 59.399 58.200 0.150 0.000 0.991 216 S CB -0.114 63.307 63.200 0.368 0.000 0.823 216 S HN 0.268 nan 8.310 nan 0.000 0.469 217 S N 1.006 116.738 115.700 0.053 0.000 2.743 217 S HA 0.211 4.681 4.470 0.001 0.000 0.230 217 S C 1.791 176.297 174.600 -0.157 0.000 0.950 217 S CA 0.086 58.286 58.200 0.001 0.000 0.976 217 S CB -0.132 63.163 63.200 0.159 0.000 0.779 217 S HN 0.609 nan 8.310 nan 0.000 0.487 218 G N 2.680 111.361 108.800 -0.199 0.000 2.545 218 G HA2 -0.297 3.664 3.960 0.001 0.000 0.222 218 G HA3 -0.297 3.664 3.960 0.001 0.000 0.222 218 G C 1.610 176.344 174.900 -0.277 0.000 1.126 218 G CA 0.881 45.856 45.100 -0.207 0.000 0.754 218 G HN 0.389 nan 8.290 nan 0.000 0.583 219 K N -0.281 119.813 120.400 -0.509 0.000 2.002 219 K HA -0.028 4.292 4.320 0.001 0.000 0.209 219 K C 2.605 179.039 176.600 -0.276 0.000 1.048 219 K CA 1.394 57.383 56.287 -0.497 0.000 0.930 219 K CB -0.747 31.206 32.500 -0.911 0.000 0.714 219 K HN 0.275 nan 8.250 nan 0.000 0.438 220 V N 1.637 121.425 119.914 -0.210 0.000 2.488 220 V HA -0.142 3.978 4.120 0.001 0.000 0.246 220 V C 1.957 178.018 176.094 -0.055 0.000 1.046 220 V CA 1.543 63.809 62.300 -0.056 0.000 1.053 220 V CB -0.105 31.749 31.823 0.051 0.000 0.679 220 V HN 0.242 nan 8.190 nan 0.000 0.458 221 E N 0.579 120.741 120.200 -0.063 0.000 2.058 221 E HA -0.275 4.076 4.350 0.001 0.000 0.194 221 E C 2.332 178.898 176.600 -0.057 0.000 0.997 221 E CA 1.724 58.099 56.400 -0.042 0.000 0.801 221 E CB -0.443 29.230 29.700 -0.044 0.000 0.746 221 E HN 0.508 nan 8.360 nan 0.000 0.450 222 R N 1.477 121.927 120.500 -0.084 0.000 2.148 222 R HA -0.102 4.238 4.340 0.001 0.000 0.227 222 R C 1.974 178.230 176.300 -0.074 0.000 1.103 222 R CA 1.465 57.518 56.100 -0.078 0.000 0.983 222 R CB -0.141 30.104 30.300 -0.090 0.000 0.874 222 R HN -0.087 nan 8.270 nan 0.000 0.451 223 K N 0.195 120.548 120.400 -0.078 0.000 2.167 223 K HA 0.036 4.357 4.320 0.001 0.000 0.203 223 K C 1.413 177.971 176.600 -0.070 0.000 1.052 223 K CA 1.322 57.562 56.287 -0.078 0.000 0.956 223 K CB -0.124 32.326 32.500 -0.084 0.000 0.735 223 K HN 0.186 nan 8.250 nan 0.000 0.451 224 N N 0.326 118.993 118.700 -0.055 0.000 2.061 224 N HA -0.210 4.531 4.740 0.001 0.000 0.193 224 N C 1.731 177.206 175.510 -0.058 0.000 1.030 224 N CA 1.576 54.596 53.050 -0.050 0.000 0.856 224 N CB -0.915 37.555 38.487 -0.028 0.000 1.023 224 N HN 0.204 nan 8.380 nan 0.000 0.424 225 S N 0.965 116.632 115.700 -0.053 0.000 2.368 225 S HA -0.181 4.290 4.470 0.001 0.000 0.226 225 S C 1.270 175.835 174.600 -0.058 0.000 1.044 225 S CA 1.641 59.809 58.200 -0.053 0.000 1.062 225 S CB -0.333 62.838 63.200 -0.049 0.000 0.931 225 S HN 0.244 nan 8.310 nan 0.000 0.440 226 D N 0.856 121.218 120.400 -0.064 0.000 2.144 226 D HA -0.048 4.593 4.640 0.001 0.000 0.199 226 D C 1.926 178.183 176.300 -0.071 0.000 0.984 226 D CA 1.116 55.076 54.000 -0.067 0.000 0.834 226 D CB -0.414 40.342 40.800 -0.074 0.000 0.955 226 D HN 0.487 nan 8.370 nan 0.000 0.465 227 I N 0.835 121.358 120.570 -0.079 0.000 2.179 227 I HA -0.236 3.935 4.170 0.001 0.000 0.242 227 I C 2.384 178.452 176.117 -0.082 0.000 1.088 227 I CA 1.132 62.382 61.300 -0.084 0.000 1.357 227 I CB -0.102 37.844 38.000 -0.090 0.000 1.051 227 I HN -0.112 nan 8.210 nan 0.000 0.409 228 K N 0.287 120.637 120.400 -0.084 0.000 2.097 228 K HA -0.171 4.149 4.320 0.001 0.000 0.205 228 K C 2.295 178.857 176.600 -0.064 0.000 1.050 228 K CA 1.061 57.295 56.287 -0.087 0.000 0.938 228 K CB -0.126 32.323 32.500 -0.086 0.000 0.718 228 K HN 0.169 nan 8.250 nan 0.000 0.442 229 R N 0.929 121.396 120.500 -0.056 0.000 2.073 229 R HA -0.146 4.194 4.340 0.001 0.000 0.234 229 R C 2.274 178.551 176.300 -0.039 0.000 1.134 229 R CA 1.215 57.288 56.100 -0.044 0.000 0.952 229 R CB -0.275 29.999 30.300 -0.044 0.000 0.850 229 R HN 0.077 nan 8.270 nan 0.000 0.433 230 L N 0.854 122.051 121.223 -0.043 0.000 2.056 230 L HA -0.070 4.270 4.340 0.001 0.000 0.207 230 L C 1.996 178.853 176.870 -0.023 0.000 1.078 230 L CA 1.532 56.350 54.840 -0.036 0.000 0.749 230 L CB -0.370 41.661 42.059 -0.046 0.000 0.901 230 L HN 0.266 nan 8.230 nan 0.000 0.433 231 L N -1.169 120.039 121.223 -0.025 0.000 2.042 231 L HA -0.259 4.081 4.340 0.001 0.000 0.210 231 L C 2.370 179.244 176.870 0.007 0.000 1.076 231 L CA 1.894 56.734 54.840 -0.001 0.000 0.749 231 L CB -0.946 41.102 42.059 -0.018 0.000 0.893 231 L HN 0.291 nan 8.230 nan 0.000 0.432 232 T N -0.364 114.183 114.554 -0.012 0.000 2.652 232 T HA -0.221 4.130 4.350 0.001 0.000 0.267 232 T C 1.863 176.564 174.700 0.000 0.000 1.039 232 T CA 1.484 63.580 62.100 -0.006 0.000 1.153 232 T CB -0.118 68.739 68.868 -0.018 0.000 0.863 232 T HN 0.302 nan 8.240 nan 0.000 0.428 233 K N 0.797 121.193 120.400 -0.007 0.000 2.103 233 K HA 0.000 4.321 4.320 0.001 0.000 0.207 233 K C 2.168 178.770 176.600 0.002 0.000 1.048 233 K CA 1.074 57.358 56.287 -0.006 0.000 0.930 233 K CB -0.350 32.142 32.500 -0.013 0.000 0.716 233 K HN 0.318 nan 8.250 nan 0.000 0.444 234 L N 0.604 121.831 121.223 0.007 0.000 2.395 234 L HA -0.058 4.282 4.340 0.001 0.000 0.218 234 L C 1.694 178.580 176.870 0.026 0.000 1.130 234 L CA 0.563 55.412 54.840 0.014 0.000 0.826 234 L CB -0.061 42.008 42.059 0.016 0.000 0.941 234 L HN 0.158 nan 8.230 nan 0.000 0.451 235 L N -0.963 120.279 121.223 0.032 0.000 2.640 235 L HA 0.151 4.491 4.340 0.001 0.000 0.230 235 L C 0.504 177.391 176.870 0.030 0.000 1.123 235 L CA -0.427 54.438 54.840 0.042 0.000 0.900 235 L CB 0.641 42.740 42.059 0.066 0.000 1.146 235 L HN -0.108 nan 8.230 nan 0.000 0.484 236 V N 1.478 121.403 119.914 0.019 0.000 2.617 236 V HA 0.039 4.159 4.120 0.001 0.000 0.304 236 V C 1.587 177.689 176.094 0.014 0.000 1.040 236 V CA 1.322 63.630 62.300 0.013 0.000 1.149 236 V CB 0.391 32.218 31.823 0.006 0.000 0.914 236 V HN 0.684 nan 8.190 nan 0.000 0.487 237 G N 4.669 113.477 108.800 0.013 0.000 2.186 237 G HA2 -0.292 3.668 3.960 0.001 0.000 0.266 237 G HA3 -0.292 3.668 3.960 0.001 0.000 0.266 237 G C 0.309 175.218 174.900 0.016 0.000 0.982 237 G CA 0.840 45.948 45.100 0.012 0.000 0.670 237 G HN 0.696 nan 8.290 nan 0.000 0.533 238 R N 0.061 120.574 120.500 0.021 0.000 2.892 238 R HA 0.556 4.897 4.340 0.001 0.000 0.265 238 R C -2.438 173.881 176.300 0.032 0.000 1.025 238 R CA -1.936 54.178 56.100 0.025 0.000 0.982 238 R CB 1.377 31.693 30.300 0.027 0.000 1.185 238 R HN 0.079 nan 8.270 nan 0.000 0.484 239 P HA -0.027 nan 4.420 nan 0.000 0.268 239 P C -0.007 177.330 177.300 0.061 0.000 1.204 239 P CA -0.048 63.076 63.100 0.039 0.000 0.768 239 P CB 0.464 32.180 31.700 0.028 0.000 0.842 240 T N -1.519 113.087 114.554 0.086 0.000 4.622 240 T HA 0.215 4.565 4.350 0.001 0.000 0.223 240 T C 0.720 175.525 174.700 0.175 0.000 0.939 240 T CA -0.403 61.786 62.100 0.149 0.000 1.070 240 T CB -1.389 67.583 68.868 0.174 0.000 1.391 240 T HN 0.529 nan 8.240 nan 0.000 1.063 241 K N 3.532 123.993 120.400 0.101 0.000 2.222 241 K HA 0.308 4.628 4.320 0.001 0.000 0.243 241 K C 0.985 177.610 176.600 0.043 0.000 1.160 241 K CA -0.771 55.524 56.287 0.013 0.000 1.090 241 K CB -0.957 31.543 32.500 -0.001 0.000 1.694 241 K HN 0.900 nan 8.250 nan 0.000 0.361 242 W N -0.424 120.922 121.300 0.077 0.000 2.576 242 W HA -0.117 4.544 4.660 0.001 0.000 0.270 242 W C 1.279 177.840 176.519 0.071 0.000 1.255 242 W CA 0.467 57.846 57.345 0.057 0.000 1.314 242 W CB -0.467 29.017 29.460 0.039 0.000 1.101 242 W HN 0.640 nan 8.180 nan 0.000 0.595 243 Y N 3.060 122.986 120.300 -0.623 0.000 2.139 243 Y HA -0.296 4.255 4.550 0.001 0.000 0.282 243 Y C 1.765 177.564 175.900 -0.169 0.000 1.179 243 Y CA 2.584 60.369 58.100 -0.525 0.000 1.161 243 Y CB -0.626 37.449 38.460 -0.642 0.000 0.970 243 Y HN -0.205 nan 8.280 nan 0.000 0.511 244 D N -0.388 120.009 120.400 -0.005 0.000 2.363 244 D HA 0.002 4.642 4.640 0.001 0.000 0.220 244 D C 1.595 177.864 176.300 -0.051 0.000 0.994 244 D CA 0.683 54.668 54.000 -0.025 0.000 0.890 244 D CB 0.033 40.867 40.800 0.056 0.000 0.906 244 D HN 0.439 nan 8.370 nan 0.000 0.530 245 L N -0.511 120.705 121.223 -0.012 0.000 2.556 245 L HA 0.150 4.490 4.340 0.001 0.000 0.226 245 L C 2.145 179.003 176.870 -0.020 0.000 1.089 245 L CA -0.020 54.824 54.840 0.007 0.000 0.864 245 L CB 0.335 42.430 42.059 0.061 0.000 1.067 245 L HN -0.010 nan 8.230 nan 0.000 0.477 246 L N 0.783 121.989 121.223 -0.029 0.000 2.010 246 L HA -0.234 4.107 4.340 0.001 0.000 0.219 246 L C -0.182 176.622 176.870 -0.110 0.000 1.077 246 L CA 2.109 56.916 54.840 -0.054 0.000 0.773 246 L CB -1.785 40.227 42.059 -0.078 0.000 0.892 246 L HN 0.237 nan 8.230 nan 0.000 0.436 247 P HA -0.146 nan 4.420 nan 0.000 0.215 247 P C 1.913 179.155 177.300 -0.096 0.000 1.157 247 P CA 1.279 64.306 63.100 -0.121 0.000 0.874 247 P CB 0.007 31.641 31.700 -0.108 0.000 0.790 248 V N -0.532 119.338 119.914 -0.074 0.000 2.295 248 V HA -0.210 3.911 4.120 0.001 0.000 0.246 248 V C 2.499 178.549 176.094 -0.073 0.000 1.049 248 V CA 1.796 64.061 62.300 -0.060 0.000 1.024 248 V CB -1.426 30.374 31.823 -0.037 0.000 0.648 248 V HN -0.040 nan 8.190 nan 0.000 0.447 249 V N -0.240 119.632 119.914 -0.070 0.000 2.255 249 V HA -0.391 3.729 4.120 0.001 0.000 0.247 249 V C 2.493 178.509 176.094 -0.129 0.000 1.051 249 V CA 2.569 64.820 62.300 -0.082 0.000 1.018 249 V CB -0.728 31.057 31.823 -0.063 0.000 0.641 249 V HN 0.636 nan 8.190 nan 0.000 0.445 250 Q N -0.624 119.083 119.800 -0.155 0.000 2.029 250 Q HA -0.311 4.030 4.340 0.001 0.000 0.209 250 Q C 2.297 178.143 176.000 -0.258 0.000 0.999 250 Q CA 2.717 58.380 55.803 -0.233 0.000 0.857 250 Q CB -0.342 28.253 28.738 -0.238 0.000 0.926 250 Q HN 0.548 nan 8.270 nan 0.000 0.415 251 L N 0.434 121.547 121.223 -0.184 0.000 2.042 251 L HA -0.157 4.184 4.340 0.001 0.000 0.210 251 L C 2.195 178.976 176.870 -0.148 0.000 1.076 251 L CA 2.282 57.031 54.840 -0.153 0.000 0.749 251 L CB -0.724 41.281 42.059 -0.089 0.000 0.893 251 L HN 0.316 nan 8.230 nan 0.000 0.432 252 A N -0.554 122.192 122.820 -0.125 0.000 1.873 252 A HA -0.140 4.180 4.320 0.001 0.000 0.215 252 A C 2.238 179.748 177.584 -0.124 0.000 1.186 252 A CA 1.911 53.888 52.037 -0.100 0.000 0.616 252 A CB -0.871 18.084 19.000 -0.076 0.000 0.823 252 A HN 0.490 nan 8.150 nan 0.000 0.442 253 L N -0.338 120.790 121.223 -0.158 0.000 2.046 253 L HA -0.180 4.160 4.340 0.001 0.000 0.208 253 L C 2.100 178.837 176.870 -0.223 0.000 1.077 253 L CA 1.215 55.950 54.840 -0.175 0.000 0.747 253 L CB -0.700 41.246 42.059 -0.187 0.000 0.896 253 L HN 0.352 nan 8.230 nan 0.000 0.432 254 N N 0.198 118.704 118.700 -0.324 0.000 2.364 254 N HA -0.132 4.608 4.740 0.001 0.000 0.183 254 N C 1.034 176.447 175.510 -0.161 0.000 1.022 254 N CA 0.898 53.704 53.050 -0.407 0.000 0.883 254 N CB -0.205 37.805 38.487 -0.795 0.000 0.965 254 N HN 0.374 nan 8.380 nan 0.000 0.438 255 N N -0.278 118.336 118.700 -0.143 0.000 2.238 255 N HA 0.059 4.799 4.740 0.001 0.000 0.222 255 N C -0.517 174.912 175.510 -0.135 0.000 1.133 255 N CA 0.141 53.118 53.050 -0.122 0.000 0.854 255 N CB 0.826 39.237 38.487 -0.127 0.000 1.041 255 N HN -0.020 nan 8.380 nan 0.000 0.510 256 T N 0.709 115.188 114.554 -0.125 0.000 2.837 256 T HA 0.284 4.635 4.350 0.001 0.000 0.285 256 T C -0.152 174.500 174.700 -0.080 0.000 0.984 256 T CA -0.219 61.838 62.100 -0.072 0.000 1.049 256 T CB 0.850 69.683 68.868 -0.059 0.000 0.947 256 T HN -0.010 nan 8.240 nan 0.000 0.472 257 Y N 1.865 122.142 120.300 -0.039 0.000 2.425 257 Y HA 0.240 4.790 4.550 0.001 0.000 0.331 257 Y C 1.213 177.090 175.900 -0.039 0.000 1.157 257 Y CA 0.148 58.228 58.100 -0.033 0.000 1.372 257 Y CB 0.742 39.164 38.460 -0.063 0.000 1.253 257 Y HN 0.516 nan 8.280 nan 0.000 0.536 258 S N 5.373 121.148 115.700 0.124 0.000 2.430 258 S HA 0.252 4.722 4.470 0.001 0.000 0.289 258 S C -1.834 172.804 174.600 0.064 0.000 1.143 258 S CA -1.574 56.667 58.200 0.068 0.000 1.067 258 S CB 0.814 64.047 63.200 0.055 0.000 0.964 258 S HN 0.431 nan 8.310 nan 0.000 0.485 259 P HA -0.102 nan 4.420 nan 0.000 0.219 259 P C 1.412 178.676 177.300 -0.059 0.000 1.146 259 P CA 0.486 63.566 63.100 -0.034 0.000 0.808 259 P CB 0.159 31.825 31.700 -0.056 0.000 0.779 260 V N -1.097 118.780 119.914 -0.062 0.000 2.649 260 V HA -0.098 4.023 4.120 0.001 0.000 0.248 260 V C 1.899 177.973 176.094 -0.033 0.000 1.054 260 V CA 1.385 63.614 62.300 -0.118 0.000 1.073 260 V CB -0.711 30.975 31.823 -0.229 0.000 0.699 260 V HN -0.014 nan 8.190 nan 0.000 0.463 261 L N -0.440 120.815 121.223 0.054 0.000 2.209 261 L HA 0.160 4.501 4.340 0.001 0.000 0.207 261 L C 1.338 178.269 176.870 0.101 0.000 1.094 261 L CA 0.590 55.528 54.840 0.163 0.000 0.790 261 L CB -0.243 41.957 42.059 0.234 0.000 0.932 261 L HN 0.202 nan 8.230 nan 0.000 0.447 262 K N -1.124 119.267 120.400 -0.015 0.000 3.230 262 K HA -0.203 4.117 4.320 0.001 0.000 0.285 262 K C -1.235 175.108 176.600 -0.429 0.000 1.196 262 K CA 0.849 57.011 56.287 -0.208 0.000 0.838 262 K CB -2.385 29.879 32.500 -0.393 0.000 1.262 262 K HN 0.279 nan 8.250 nan 0.000 0.492 263 Y N -0.498 119.949 120.300 0.245 0.000 2.562 263 Y HA 0.330 4.880 4.550 0.001 0.000 0.345 263 Y C 0.846 176.661 175.900 -0.141 0.000 1.045 263 Y CA -0.641 57.499 58.100 0.067 0.000 1.028 263 Y CB 1.677 40.170 38.460 0.055 0.000 1.297 263 Y HN 0.105 nan 8.280 nan 0.000 0.463 264 T N -1.447 112.990 114.554 -0.194 0.000 2.918 264 T HA 0.350 4.701 4.350 0.001 0.000 0.283 264 T C -2.301 172.403 174.700 0.008 0.000 1.001 264 T CA -2.241 59.743 62.100 -0.193 0.000 1.041 264 T CB 1.800 70.471 68.868 -0.328 0.000 1.028 264 T HN 0.291 nan 8.240 nan 0.000 0.511 265 P HA -0.101 nan 4.420 nan 0.000 0.216 265 P C 1.235 178.653 177.300 0.196 0.000 1.150 265 P CA 1.296 64.434 63.100 0.062 0.000 0.837 265 P CB -0.158 31.528 31.700 -0.023 0.000 0.786 266 H N 0.136 119.316 119.070 0.182 0.000 2.290 266 H HA -0.170 4.387 4.556 0.001 0.000 0.298 266 H C 2.012 177.461 175.328 0.201 0.000 1.087 266 H CA 2.022 58.272 56.048 0.337 0.000 1.291 266 H CB -0.404 29.552 29.762 0.323 0.000 1.369 266 H HN 0.091 nan 8.280 nan 0.000 0.492 267 Q N 0.017 119.974 119.800 0.262 0.000 2.096 267 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 267 Q C 2.535 178.535 176.000 -0.000 0.000 0.982 267 Q CA 1.815 57.717 55.803 0.165 0.000 0.850 267 Q CB -0.100 28.765 28.738 0.210 0.000 0.901 267 Q HN 0.522 nan 8.270 nan 0.000 0.422 268 L N -0.044 121.155 121.223 -0.040 0.000 2.201 268 L HA -0.158 4.183 4.340 0.001 0.000 0.212 268 L C 2.206 178.956 176.870 -0.199 0.000 1.105 268 L CA 0.324 55.089 54.840 -0.126 0.000 0.775 268 L CB -0.288 41.719 42.059 -0.087 0.000 0.913 268 L HN 0.245 nan 8.230 nan 0.000 0.440 269 L N -1.272 119.763 121.223 -0.315 0.000 2.162 269 L HA 0.008 4.348 4.340 0.001 0.000 0.205 269 L C 1.673 178.121 176.870 -0.704 0.000 1.086 269 L CA 1.804 56.253 54.840 -0.651 0.000 0.778 269 L CB -0.109 41.265 42.059 -1.142 0.000 0.928 269 L HN 0.055 nan 8.230 nan 0.000 0.446 270 F N -1.670 118.117 119.950 -0.271 0.000 2.752 270 F HA 0.392 4.919 4.527 0.000 0.000 0.310 270 F C 1.811 177.541 175.800 -0.116 0.000 1.097 270 F CA 0.286 58.148 58.000 -0.229 0.000 1.238 270 F CB 0.205 38.969 39.000 -0.394 0.000 1.061 270 F HN 0.044 nan 8.300 nan 0.000 0.591 271 G N 2.081 110.922 108.800 0.067 0.000 2.189 271 G HA2 -0.336 3.624 3.960 0.001 0.000 0.267 271 G HA3 -0.336 3.624 3.960 0.001 0.000 0.267 271 G C 0.023 174.993 174.900 0.115 0.000 0.975 271 G CA 0.604 45.741 45.100 0.062 0.000 0.644 271 G HN 0.421 nan 8.290 nan 0.000 0.537 272 I N -0.276 120.397 120.570 0.170 0.000 2.743 272 I HA 0.377 4.547 4.170 0.001 0.000 0.292 272 I C -1.339 174.973 176.117 0.324 0.000 1.343 272 I CA -1.043 60.371 61.300 0.190 0.000 1.038 272 I CB 1.493 39.567 38.000 0.124 0.000 1.311 272 I HN -0.086 nan 8.210 nan 0.000 0.426 273 D N 4.579 125.141 120.400 0.270 0.000 2.423 273 D HA 0.200 4.840 4.640 0.001 0.000 0.238 273 D C 0.235 176.609 176.300 0.123 0.000 1.142 273 D CA 0.394 54.505 54.000 0.185 0.000 0.884 273 D CB 1.341 42.180 40.800 0.065 0.000 1.199 273 D HN 0.592 nan 8.370 nan 0.000 0.438 274 S N 1.420 117.080 115.700 -0.067 0.000 2.623 274 S HA 0.122 4.592 4.470 0.001 0.000 0.278 274 S C 0.471 175.029 174.600 -0.070 0.000 1.148 274 S CA -0.698 57.470 58.200 -0.054 0.000 1.028 274 S CB 0.436 63.594 63.200 -0.070 0.000 1.145 274 S HN 0.340 nan 8.310 nan 0.000 0.523 275 N N 1.769 120.436 118.700 -0.056 0.000 3.103 275 N HA 0.212 4.952 4.740 0.001 0.000 0.305 275 N C -0.364 175.115 175.510 -0.052 0.000 1.232 275 N CA -0.016 53.008 53.050 -0.044 0.000 1.190 275 N CB -0.946 37.521 38.487 -0.033 0.000 1.461 275 N HN 0.744 nan 8.380 nan 0.000 0.538 276 T N -1.250 113.268 114.554 -0.060 0.000 2.926 276 T HA 0.632 4.982 4.350 0.001 0.000 0.289 276 T C -2.708 171.986 174.700 -0.009 0.000 1.054 276 T CA -2.061 60.012 62.100 -0.045 0.000 1.015 276 T CB 1.197 70.020 68.868 -0.076 0.000 1.167 276 T HN -0.014 nan 8.240 nan 0.000 0.526 277 P HA 0.366 nan 4.420 nan 0.000 0.268 277 P C -0.322 177.110 177.300 0.221 0.000 1.205 277 P CA -0.046 63.091 63.100 0.061 0.000 0.771 277 P CB -0.287 31.516 31.700 0.171 0.000 0.858 278 F N -1.250 118.703 119.950 0.005 0.000 3.057 278 F HA -0.246 4.282 4.527 0.001 0.000 0.287 278 F C 0.950 176.774 175.800 0.041 0.000 0.834 278 F CA 0.369 58.384 58.000 0.025 0.000 1.147 278 F CB -2.209 36.813 39.000 0.037 0.000 1.245 278 F HN 0.328 nan 8.300 nan 0.000 0.509 279 A N 1.136 124.023 122.820 0.112 0.000 2.567 279 A HA 0.136 4.456 4.320 0.001 0.000 0.240 279 A C 0.816 178.470 177.584 0.117 0.000 1.053 279 A CA 0.353 52.444 52.037 0.090 0.000 0.755 279 A CB 0.103 19.122 19.000 0.032 0.000 0.978 279 A HN 0.476 nan 8.150 nan 0.000 0.507 280 N N 2.020 120.808 118.700 0.146 0.000 2.513 280 N HA 0.044 4.784 4.740 0.001 0.000 0.268 280 N C 0.353 175.929 175.510 0.110 0.000 1.180 280 N CA 0.041 53.182 53.050 0.151 0.000 0.948 280 N CB 0.682 39.291 38.487 0.204 0.000 1.083 280 N HN 0.708 nan 8.380 nan 0.000 0.455 281 Q N 1.675 121.528 119.800 0.090 0.000 2.246 281 Q HA 0.030 4.370 4.340 0.001 0.000 0.222 281 Q C 0.138 176.177 176.000 0.066 0.000 0.851 281 Q CA -0.217 55.626 55.803 0.067 0.000 0.945 281 Q CB 0.501 29.268 28.738 0.047 0.000 1.122 281 Q HN 0.619 nan 8.270 nan 0.000 0.508 282 D N 1.694 122.141 120.400 0.078 0.000 2.191 282 D HA -0.152 4.488 4.640 0.001 0.000 0.195 282 D C 1.593 177.934 176.300 0.067 0.000 1.003 282 D CA 2.074 56.118 54.000 0.073 0.000 0.867 282 D CB -0.158 40.695 40.800 0.088 0.000 0.926 282 D HN 0.350 nan 8.370 nan 0.000 0.450 283 T N -1.609 112.989 114.554 0.074 0.000 3.273 283 T HA 0.162 4.512 4.350 0.001 0.000 0.254 283 T C 1.499 176.229 174.700 0.050 0.000 1.002 283 T CA -0.396 61.742 62.100 0.063 0.000 0.913 283 T CB -0.099 68.811 68.868 0.071 0.000 1.056 283 T HN -0.145 nan 8.240 nan 0.000 0.576 284 L N 1.541 122.791 121.223 0.045 0.000 2.083 284 L HA 0.055 4.396 4.340 0.001 0.000 0.209 284 L C 1.595 178.483 176.870 0.029 0.000 1.083 284 L CA 1.704 56.565 54.840 0.036 0.000 0.752 284 L CB -0.354 41.724 42.059 0.031 0.000 0.899 284 L HN 0.312 nan 8.230 nan 0.000 0.433 285 D N -1.368 119.049 120.400 0.029 0.000 2.349 285 D HA 0.149 4.790 4.640 0.001 0.000 0.214 285 D C 0.628 176.943 176.300 0.025 0.000 1.063 285 D CA 0.078 54.093 54.000 0.024 0.000 0.847 285 D CB 0.442 41.255 40.800 0.022 0.000 0.933 285 D HN 0.205 nan 8.370 nan 0.000 0.513 286 L N 1.395 122.635 121.223 0.029 0.000 2.418 286 L HA 0.202 4.542 4.340 0.001 0.000 0.265 286 L C 1.261 178.147 176.870 0.026 0.000 1.143 286 L CA -0.381 54.476 54.840 0.028 0.000 0.809 286 L CB 0.975 43.054 42.059 0.033 0.000 1.124 286 L HN -0.054 nan 8.230 nan 0.000 0.456 287 T N -1.344 113.223 114.554 0.023 0.000 2.813 287 T HA 0.085 4.435 4.350 0.001 0.000 0.297 287 T C 1.038 175.752 174.700 0.024 0.000 1.036 287 T CA -0.565 61.547 62.100 0.021 0.000 1.044 287 T CB 1.254 70.132 68.868 0.017 0.000 0.993 287 T HN 0.600 nan 8.240 nan 0.000 0.535 288 R N 0.753 121.267 120.500 0.023 0.000 2.103 288 R HA -0.156 4.184 4.340 0.001 0.000 0.242 288 R C 2.251 178.566 176.300 0.025 0.000 1.142 288 R CA 2.327 58.443 56.100 0.027 0.000 0.960 288 R CB -1.052 29.263 30.300 0.026 0.000 0.858 288 R HN 0.945 nan 8.270 nan 0.000 0.439 289 E N -0.130 120.082 120.200 0.020 0.000 2.077 289 E HA -0.193 4.157 4.350 0.001 0.000 0.193 289 E C 1.706 178.316 176.600 0.018 0.000 0.989 289 E CA 1.485 57.895 56.400 0.018 0.000 0.800 289 E CB -0.010 29.699 29.700 0.014 0.000 0.746 289 E HN 0.516 nan 8.360 nan 0.000 0.452 290 E N 0.332 120.543 120.200 0.019 0.000 2.110 290 E HA -0.228 4.122 4.350 0.001 0.000 0.193 290 E C 1.986 178.601 176.600 0.024 0.000 0.988 290 E CA 1.189 57.601 56.400 0.020 0.000 0.804 290 E CB -0.008 29.705 29.700 0.022 0.000 0.745 290 E HN 0.277 nan 8.360 nan 0.000 0.458 291 E N 0.510 120.727 120.200 0.028 0.000 2.038 291 E HA -0.192 4.158 4.350 0.001 0.000 0.195 291 E C 2.005 178.620 176.600 0.025 0.000 1.000 291 E CA 0.913 57.333 56.400 0.033 0.000 0.803 291 E CB 0.003 29.727 29.700 0.040 0.000 0.750 291 E HN 0.210 nan 8.360 nan 0.000 0.448 292 L N 0.243 121.480 121.223 0.022 0.000 2.201 292 L HA -0.136 4.205 4.340 0.001 0.000 0.212 292 L C 2.624 179.498 176.870 0.006 0.000 1.105 292 L CA 0.736 55.585 54.840 0.015 0.000 0.775 292 L CB -0.315 41.755 42.059 0.018 0.000 0.913 292 L HN 0.169 nan 8.230 nan 0.000 0.440 293 S N 0.353 116.059 115.700 0.009 0.000 2.357 293 S HA -0.156 4.314 4.470 0.001 0.000 0.221 293 S C 1.907 176.510 174.600 0.004 0.000 1.031 293 S CA 0.940 59.144 58.200 0.006 0.000 0.982 293 S CB -0.105 63.101 63.200 0.010 0.000 0.853 293 S HN 0.300 nan 8.310 nan 0.000 0.458 294 L N 1.529 122.757 121.223 0.009 0.000 2.093 294 L HA 0.126 4.466 4.340 0.001 0.000 0.208 294 L C 2.126 178.987 176.870 -0.014 0.000 1.085 294 L CA 1.527 56.373 54.840 0.009 0.000 0.755 294 L CB -0.944 41.130 42.059 0.026 0.000 0.904 294 L HN 0.443 nan 8.230 nan 0.000 0.435 295 L N -0.343 120.867 121.223 -0.022 0.000 2.012 295 L HA -0.274 4.067 4.340 0.001 0.000 0.210 295 L C 2.492 179.323 176.870 -0.065 0.000 1.073 295 L CA 1.915 56.720 54.840 -0.058 0.000 0.748 295 L CB -0.721 41.314 42.059 -0.041 0.000 0.891 295 L HN 0.444 nan 8.230 nan 0.000 0.431 296 Q N -1.011 118.767 119.800 -0.037 0.000 2.135 296 Q HA -0.270 4.070 4.340 0.001 0.000 0.204 296 Q C 2.140 178.121 176.000 -0.032 0.000 0.981 296 Q CA 1.780 57.564 55.803 -0.032 0.000 0.856 296 Q CB -0.122 28.606 28.738 -0.017 0.000 0.902 296 Q HN 0.536 nan 8.270 nan 0.000 0.425 297 E N 0.806 120.991 120.200 -0.025 0.000 2.112 297 E HA -0.090 4.260 4.350 0.001 0.000 0.190 297 E C 1.606 178.191 176.600 -0.025 0.000 0.979 297 E CA 0.742 57.134 56.400 -0.014 0.000 0.814 297 E CB -0.058 29.643 29.700 0.002 0.000 0.762 297 E HN 0.310 nan 8.360 nan 0.000 0.460 298 I N 0.171 120.703 120.570 -0.064 0.000 2.226 298 I HA -0.249 3.921 4.170 0.001 0.000 0.245 298 I C 2.425 178.463 176.117 -0.132 0.000 1.100 298 I CA 1.076 62.297 61.300 -0.131 0.000 1.374 298 I CB -0.151 37.654 38.000 -0.326 0.000 1.057 298 I HN 0.042 nan 8.210 nan 0.000 0.413 299 R N 0.099 120.527 120.500 -0.120 0.000 2.105 299 R HA -0.168 4.172 4.340 0.001 0.000 0.239 299 R C 2.285 178.563 176.300 -0.038 0.000 1.135 299 R CA 2.089 58.138 56.100 -0.085 0.000 0.967 299 R CB -0.602 29.653 30.300 -0.075 0.000 0.861 299 R HN 0.517 nan 8.270 nan 0.000 0.442 300 T N -2.340 112.198 114.554 -0.027 0.000 3.043 300 T HA -0.022 4.328 4.350 0.001 0.000 0.263 300 T C 1.621 176.324 174.700 0.005 0.000 1.094 300 T CA 0.825 62.917 62.100 -0.013 0.000 1.127 300 T CB 0.101 68.961 68.868 -0.013 0.000 0.905 300 T HN 0.192 nan 8.240 nan 0.000 0.490 301 S N 0.806 116.517 115.700 0.018 0.000 2.614 301 S HA 0.387 4.858 4.470 0.001 0.000 0.230 301 S C 0.380 175.032 174.600 0.086 0.000 0.952 301 S CA -0.811 57.417 58.200 0.047 0.000 0.949 301 S CB -0.870 62.363 63.200 0.056 0.000 0.786 301 S HN 0.473 nan 8.310 nan 0.000 0.478 302 L N 2.345 123.619 121.223 0.084 0.000 2.426 302 L HA 0.305 4.646 4.340 0.001 0.000 0.271 302 L C 0.559 177.533 176.870 0.175 0.000 1.169 302 L CA -1.005 53.922 54.840 0.146 0.000 0.836 302 L CB 0.173 42.308 42.059 0.126 0.000 1.112 302 L HN 0.383 nan 8.230 nan 0.000 0.465 303 Y N 3.611 123.968 120.300 0.096 0.000 2.810 303 Y HA -0.096 4.454 4.550 0.001 0.000 0.332 303 Y C -0.105 175.865 175.900 0.116 0.000 1.243 303 Y CA 0.421 58.572 58.100 0.085 0.000 1.537 303 Y CB -0.047 38.445 38.460 0.054 0.000 1.265 303 Y HN 0.419 nan 8.280 nan 0.000 0.572 304 H N 8.594 127.198 119.070 -0.776 0.000 2.658 304 H HA 0.353 4.909 4.556 0.001 0.000 0.337 304 H C -2.586 172.199 175.328 -0.906 0.000 1.009 304 H CA -2.225 53.412 56.048 -0.684 0.000 1.231 304 H CB 1.876 31.465 29.762 -0.289 0.000 1.508 304 H HN 0.620 nan 8.280 nan 0.000 0.517 305 P HA 0.052 nan 4.420 nan 0.000 0.272 305 P C -0.600 176.501 177.300 -0.332 0.000 1.230 305 P CA -0.364 62.390 63.100 -0.577 0.000 0.788 305 P CB 1.174 32.705 31.700 -0.282 0.000 0.949 306 S N -0.741 114.886 115.700 -0.122 0.000 2.578 306 S HA 0.284 4.754 4.470 0.001 0.000 0.301 306 S C 0.071 174.658 174.600 -0.022 0.000 1.091 306 S CA -0.718 57.458 58.200 -0.041 0.000 1.032 306 S CB 0.823 64.021 63.200 -0.003 0.000 1.064 306 S HN 0.521 nan 8.310 nan 0.000 0.508 307 T N 4.327 118.879 114.554 -0.004 0.000 2.718 307 T HA 0.119 4.470 4.350 0.001 0.000 0.265 307 T C -1.875 172.826 174.700 0.001 0.000 1.014 307 T CA -0.427 61.673 62.100 -0.000 0.000 1.172 307 T CB -0.553 68.319 68.868 0.006 0.000 1.007 307 T HN 0.637 nan 8.240 nan 0.000 0.500 308 P HA 0.368 nan 4.420 nan 0.000 0.274 308 P C -2.729 174.574 177.300 0.005 0.000 1.256 308 P CA -1.681 61.422 63.100 0.005 0.000 0.795 308 P CB -0.403 31.300 31.700 0.005 0.000 1.038 309 P HA 0.152 nan 4.420 nan 0.000 0.271 309 P C -0.308 176.996 177.300 0.006 0.000 1.216 309 P CA -0.111 62.993 63.100 0.007 0.000 0.776 309 P CB 0.037 31.743 31.700 0.010 0.000 0.881 310 A N 2.957 125.779 122.820 0.004 0.000 2.531 310 A HA 0.314 4.634 4.320 0.001 0.000 0.236 310 A C 0.882 178.474 177.584 0.012 0.000 1.062 310 A CA 0.097 52.136 52.037 0.003 0.000 0.760 310 A CB -0.634 18.366 19.000 -0.000 0.000 0.995 310 A HN 0.652 nan 8.150 nan 0.000 0.501 311 S N 1.670 117.381 115.700 0.018 0.000 2.585 311 S HA 0.215 4.685 4.470 0.001 0.000 0.273 311 S C 1.195 175.814 174.600 0.031 0.000 1.339 311 S CA 0.054 58.270 58.200 0.027 0.000 1.028 311 S CB 0.848 64.069 63.200 0.036 0.000 0.906 311 S HN 1.676 nan 8.310 nan 0.000 0.528 312 S N 1.495 117.213 115.700 0.030 0.000 2.537 312 S HA 0.018 4.488 4.470 0.001 0.000 0.240 312 S C 0.790 175.413 174.600 0.038 0.000 0.981 312 S CA 0.207 58.425 58.200 0.030 0.000 0.948 312 S CB -0.546 62.669 63.200 0.025 0.000 0.759 312 S HN 0.783 nan 8.310 nan 0.000 0.531 313 R N 1.653 122.183 120.500 0.049 0.000 2.701 313 R HA 0.253 4.594 4.340 0.001 0.000 0.281 313 R C -0.767 175.593 176.300 0.100 0.000 1.367 313 R CA -0.023 56.115 56.100 0.064 0.000 1.510 313 R CB 1.108 31.441 30.300 0.054 0.000 1.306 313 R HN 0.488 nan 8.270 nan 0.000 0.682 314 S N 0.114 115.873 115.700 0.098 0.000 2.713 314 S HA 0.609 5.080 4.470 0.001 0.000 0.283 314 S C -0.225 174.496 174.600 0.202 0.000 1.161 314 S CA -0.827 57.448 58.200 0.125 0.000 0.999 314 S CB 1.465 64.682 63.200 0.029 0.000 1.039 314 S HN 0.440 nan 8.310 nan 0.000 0.548 315 W N -0.485 120.817 121.300 0.003 0.000 2.844 315 W HA 0.767 5.427 4.660 0.001 0.000 0.340 315 W C -1.519 175.003 176.519 0.005 0.000 1.093 315 W CA -1.111 56.233 57.345 -0.003 0.000 1.212 315 W CB 0.819 30.269 29.460 -0.016 0.000 1.422 315 W HN 0.550 nan 8.180 nan 0.000 0.515 316 S N 3.630 119.315 115.700 -0.025 0.000 2.500 316 S HA 0.539 5.010 4.470 0.001 0.000 0.301 316 S C -2.313 172.293 174.600 0.010 0.000 1.092 316 S CA -1.041 57.023 58.200 -0.227 0.000 1.030 316 S CB 2.099 65.223 63.200 -0.126 0.000 1.031 316 S HN 0.232 nan 8.310 nan 0.000 0.483 317 P HA 0.247 nan 4.420 nan 0.000 0.269 317 P C -1.083 176.283 177.300 0.111 0.000 1.209 317 P CA -0.195 63.002 63.100 0.162 0.000 0.776 317 P CB 0.573 32.312 31.700 0.066 0.000 0.876 318 V N 3.437 123.435 119.914 0.139 0.000 2.709 318 V HA 0.121 4.242 4.120 0.001 0.000 0.308 318 V C 0.175 176.316 176.094 0.078 0.000 1.062 318 V CA -1.002 61.351 62.300 0.088 0.000 0.901 318 V CB 2.557 34.431 31.823 0.084 0.000 1.003 318 V HN 0.296 nan 8.190 nan 0.000 0.425 319 V N 4.446 124.393 119.914 0.055 0.000 2.617 319 V HA 0.350 4.471 4.120 0.001 0.000 0.304 319 V C 1.503 177.623 176.094 0.044 0.000 1.040 319 V CA 1.618 63.947 62.300 0.048 0.000 1.149 319 V CB 0.204 32.048 31.823 0.036 0.000 0.914 319 V HN 1.417 nan 8.190 nan 0.000 0.487 320 G N 3.026 111.852 108.800 0.044 0.000 2.179 320 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 320 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 320 G C 0.289 175.209 174.900 0.033 0.000 0.977 320 G CA 0.476 45.597 45.100 0.036 0.000 0.641 320 G HN 0.868 nan 8.290 nan 0.000 0.533 321 Q N -0.084 119.743 119.800 0.045 0.000 2.364 321 Q HA 0.524 4.864 4.340 0.001 0.000 0.267 321 Q C 0.457 176.467 176.000 0.016 0.000 0.999 321 Q CA -0.415 55.408 55.803 0.033 0.000 0.886 321 Q CB 0.304 29.084 28.738 0.069 0.000 1.243 321 Q HN 0.423 nan 8.270 nan 0.000 0.415 322 L N 5.055 126.266 121.223 -0.021 0.000 2.313 322 L HA 0.345 4.686 4.340 0.001 0.000 0.282 322 L C -0.369 176.448 176.870 -0.089 0.000 1.092 322 L CA -0.500 54.316 54.840 -0.040 0.000 0.831 322 L CB 0.767 42.793 42.059 -0.054 0.000 1.159 322 L HN 0.521 nan 8.230 nan 0.000 0.442 323 V N 1.123 121.002 119.914 -0.060 0.000 3.130 323 V HA 0.631 4.752 4.120 0.001 0.000 0.310 323 V C -1.017 175.057 176.094 -0.034 0.000 1.158 323 V CA -0.844 61.397 62.300 -0.099 0.000 1.029 323 V CB 2.159 33.985 31.823 0.005 0.000 1.057 323 V HN 0.757 nan 8.190 nan 0.000 0.436 324 Q N 0.835 120.608 119.800 -0.045 0.000 2.356 324 Q HA 0.524 4.864 4.340 0.001 0.000 0.270 324 Q C -1.134 175.075 176.000 0.349 0.000 1.058 324 Q CA -0.490 55.380 55.803 0.112 0.000 0.802 324 Q CB 3.134 31.892 28.738 0.034 0.000 1.303 324 Q HN 0.885 nan 8.270 nan 0.000 0.444 325 E N 2.105 122.556 120.200 0.418 0.000 2.249 325 E HA 0.165 4.515 4.350 0.001 0.000 0.280 325 E C -0.715 176.180 176.600 0.491 0.000 1.016 325 E CA -0.528 56.142 56.400 0.449 0.000 0.830 325 E CB 1.071 30.975 29.700 0.341 0.000 1.081 325 E HN 0.362 nan 8.360 nan 0.000 0.395 326 R N 3.313 123.941 120.500 0.215 0.000 2.489 326 R HA 0.084 4.425 4.340 0.001 0.000 0.287 326 R C -0.644 175.487 176.300 -0.282 0.000 1.053 326 R CA -0.406 55.444 56.100 -0.417 0.000 1.036 326 R CB 0.550 30.495 30.300 -0.593 0.000 0.966 326 R HN 0.316 nan 8.270 nan 0.000 0.432 327 V N 4.974 124.574 119.914 -0.524 0.000 2.673 327 V HA -0.037 4.083 4.120 0.001 0.000 0.303 327 V C 1.402 177.288 176.094 -0.347 0.000 1.046 327 V CA 0.767 62.766 62.300 -0.502 0.000 1.126 327 V CB 1.004 32.498 31.823 -0.549 0.000 0.934 327 V HN 1.055 nan 8.190 nan 0.000 0.487 328 A N 4.733 127.389 122.820 -0.273 0.000 1.840 328 A HA 0.185 4.506 4.320 0.001 0.000 0.214 328 A C 1.715 179.056 177.584 -0.405 0.000 1.198 328 A CA 1.451 53.190 52.037 -0.498 0.000 0.608 328 A CB -0.220 18.371 19.000 -0.682 0.000 0.839 328 A HN 1.039 nan 8.150 nan 0.000 0.443 329 R N 1.191 121.541 120.500 -0.250 0.000 2.724 329 R HA 0.531 4.871 4.340 0.001 0.000 0.284 329 R C -2.827 173.394 176.300 -0.131 0.000 1.481 329 R CA -1.375 54.626 56.100 -0.166 0.000 1.652 329 R CB -1.066 29.176 30.300 -0.097 0.000 1.175 329 R HN 0.551 nan 8.270 nan 0.000 0.613 330 P HA 0.403 nan 4.420 nan 0.000 0.276 330 P C -0.111 177.131 177.300 -0.096 0.000 1.230 330 P CA -0.093 62.921 63.100 -0.143 0.000 0.776 330 P CB 1.643 33.232 31.700 -0.185 0.000 0.888 331 A N 2.941 125.718 122.820 -0.072 0.000 2.346 331 A HA 0.242 4.562 4.320 0.001 0.000 0.252 331 A C 0.733 178.289 177.584 -0.048 0.000 1.089 331 A CA -0.291 51.716 52.037 -0.049 0.000 0.797 331 A CB -0.233 18.746 19.000 -0.034 0.000 1.047 331 A HN 0.575 nan 8.150 nan 0.000 0.494 332 S N 0.038 115.716 115.700 -0.036 0.000 2.575 332 S HA 0.220 4.691 4.470 0.001 0.000 0.295 332 S C 0.716 175.299 174.600 -0.029 0.000 1.267 332 S CA 0.565 58.746 58.200 -0.032 0.000 1.074 332 S CB -0.949 62.237 63.200 -0.023 0.000 0.829 332 S HN 1.161 nan 8.310 nan 0.000 0.497 333 L N 2.196 123.401 121.223 -0.030 0.000 4.089 333 L HA -0.192 4.148 4.340 0.001 0.000 0.408 333 L C 0.153 177.005 176.870 -0.030 0.000 1.184 333 L CA 0.403 55.227 54.840 -0.027 0.000 0.947 333 L CB -1.189 40.858 42.059 -0.020 0.000 2.066 333 L HN 0.603 nan 8.230 nan 0.000 0.851 334 R N -0.233 120.244 120.500 -0.039 0.000 2.832 334 R HA 0.645 4.985 4.340 0.001 0.000 0.271 334 R C -2.216 174.051 176.300 -0.054 0.000 0.996 334 R CA -2.058 54.016 56.100 -0.043 0.000 0.977 334 R CB 0.633 30.905 30.300 -0.046 0.000 1.168 334 R HN -0.249 nan 8.270 nan 0.000 0.482 335 P HA 0.163 nan 4.420 nan 0.000 0.267 335 P C 0.326 177.559 177.300 -0.111 0.000 1.200 335 P CA -0.135 62.944 63.100 -0.035 0.000 0.772 335 P CB 0.664 32.363 31.700 -0.002 0.000 0.855 336 R N 0.633 121.054 120.500 -0.132 0.000 2.297 336 R HA 0.173 4.513 4.340 0.001 0.000 0.197 336 R C -0.458 175.436 176.300 -0.677 0.000 0.943 336 R CA 0.318 56.180 56.100 -0.396 0.000 1.038 336 R CB -0.138 29.921 30.300 -0.402 0.000 0.957 336 R HN 0.549 nan 8.270 nan 0.000 0.484 337 W N -0.518 120.697 121.300 -0.143 0.000 2.844 337 W HA 0.391 5.052 4.660 0.001 0.000 0.340 337 W C 0.333 176.751 176.519 -0.168 0.000 1.093 337 W CA -0.845 56.418 57.345 -0.137 0.000 1.212 337 W CB 0.736 30.159 29.460 -0.061 0.000 1.422 337 W HN -0.060 nan 8.180 nan 0.000 0.515 338 H N 1.187 120.404 119.070 0.245 0.000 2.597 338 H HA 0.251 4.807 4.556 0.001 0.000 0.370 338 H C 0.156 175.555 175.328 0.118 0.000 1.281 338 H CA -0.193 55.945 56.048 0.149 0.000 1.422 338 H CB 0.776 30.623 29.762 0.141 0.000 1.524 338 H HN 0.165 nan 8.280 nan 0.000 0.607 339 K N 1.211 121.720 120.400 0.182 0.000 2.286 339 K HA 0.106 4.426 4.320 0.001 0.000 0.256 339 K C -2.170 174.444 176.600 0.023 0.000 0.999 339 K CA -1.086 55.207 56.287 0.010 0.000 0.908 339 K CB -0.376 32.000 32.500 -0.207 0.000 0.981 339 K HN 0.348 nan 8.250 nan 0.000 0.500 340 P HA 0.005 nan 4.420 nan 0.000 0.270 340 P C -0.979 176.330 177.300 0.017 0.000 1.223 340 P CA -0.050 63.042 63.100 -0.013 0.000 0.785 340 P CB 0.921 32.595 31.700 -0.044 0.000 0.923 341 S N -0.943 114.780 115.700 0.038 0.000 2.656 341 S HA 0.696 5.167 4.470 0.001 0.000 0.273 341 S C -1.150 173.481 174.600 0.052 0.000 1.168 341 S CA -0.749 57.491 58.200 0.066 0.000 0.817 341 S CB 1.028 64.288 63.200 0.100 0.000 1.146 341 S HN 0.295 nan 8.310 nan 0.000 0.475 342 T N 1.099 115.688 114.554 0.057 0.000 2.823 342 T HA 0.548 4.899 4.350 0.001 0.000 0.279 342 T C -0.328 174.408 174.700 0.059 0.000 0.998 342 T CA -0.659 61.471 62.100 0.049 0.000 0.994 342 T CB 1.423 70.315 68.868 0.040 0.000 0.960 342 T HN 0.626 nan 8.240 nan 0.000 0.448 343 V N 4.850 124.803 119.914 0.066 0.000 2.403 343 V HA 0.050 4.171 4.120 0.001 0.000 0.265 343 V C 1.424 177.552 176.094 0.057 0.000 1.034 343 V CA 0.229 62.574 62.300 0.075 0.000 1.036 343 V CB -0.795 31.084 31.823 0.094 0.000 1.032 343 V HN 0.816 nan 8.190 nan 0.000 0.478 344 L N 3.268 124.522 121.223 0.051 0.000 2.007 344 L HA 0.101 4.441 4.340 0.001 0.000 0.205 344 L C 1.270 178.163 176.870 0.039 0.000 1.073 344 L CA 1.339 56.203 54.840 0.041 0.000 0.744 344 L CB -0.055 42.026 42.059 0.036 0.000 0.898 344 L HN 0.490 nan 8.230 nan 0.000 0.435 345 K N -0.513 119.912 120.400 0.042 0.000 2.422 345 K HA 0.391 4.711 4.320 0.001 0.000 0.251 345 K C -1.250 175.374 176.600 0.040 0.000 0.933 345 K CA -0.543 55.766 56.287 0.037 0.000 0.798 345 K CB 2.533 35.053 32.500 0.033 0.000 1.238 345 K HN -0.304 nan 8.250 nan 0.000 0.428 346 V N 6.872 126.806 119.914 0.034 0.000 2.267 346 V HA 0.073 4.194 4.120 0.001 0.000 0.254 346 V C 1.442 177.549 176.094 0.022 0.000 1.144 346 V CA -0.150 62.166 62.300 0.027 0.000 0.992 346 V CB 0.056 31.893 31.823 0.022 0.000 1.199 346 V HN 0.854 nan 8.190 nan 0.000 0.493 347 L N 2.608 123.847 121.223 0.026 0.000 2.013 347 L HA -0.143 4.197 4.340 0.001 0.000 0.212 347 L C 1.083 177.966 176.870 0.021 0.000 1.073 347 L CA 1.713 56.570 54.840 0.028 0.000 0.753 347 L CB -0.282 41.800 42.059 0.038 0.000 0.890 347 L HN 0.897 nan 8.230 nan 0.000 0.432 348 N N -3.616 115.091 118.700 0.012 0.000 3.141 348 N HA 0.254 4.995 4.740 0.001 0.000 0.267 348 N C -2.548 172.949 175.510 -0.021 0.000 1.521 348 N CA -1.645 51.406 53.050 0.002 0.000 0.860 348 N CB 0.205 38.699 38.487 0.012 0.000 1.531 348 N HN -0.381 nan 8.380 nan 0.000 0.563 349 P HA 0.059 nan 4.420 nan 0.000 0.239 349 P C 0.179 177.410 177.300 -0.116 0.000 1.184 349 P CA 0.862 63.919 63.100 -0.071 0.000 0.760 349 P CB 0.198 31.859 31.700 -0.064 0.000 0.884 350 R N -2.096 118.355 120.500 -0.082 0.000 2.509 350 R HA 0.248 4.588 4.340 0.001 0.000 0.297 350 R C -0.095 176.156 176.300 -0.082 0.000 0.951 350 R CA 0.428 56.467 56.100 -0.102 0.000 1.103 350 R CB 0.623 30.888 30.300 -0.058 0.000 1.283 350 R HN 0.135 nan 8.270 nan 0.000 0.534 351 T N 1.052 115.580 114.554 -0.043 0.000 2.921 351 T HA 0.481 4.831 4.350 0.001 0.000 0.297 351 T C -0.388 174.317 174.700 0.008 0.000 1.013 351 T CA -0.710 61.382 62.100 -0.013 0.000 0.990 351 T CB 2.508 71.387 68.868 0.019 0.000 1.023 351 T HN 0.003 nan 8.240 nan 0.000 0.447 352 V N -0.230 119.702 119.914 0.029 0.000 3.078 352 V HA 0.944 5.065 4.120 0.001 0.000 0.311 352 V C -1.003 175.126 176.094 0.059 0.000 1.138 352 V CA -1.042 61.287 62.300 0.048 0.000 1.007 352 V CB 1.907 33.772 31.823 0.070 0.000 1.045 352 V HN 0.698 nan 8.190 nan 0.000 0.432 353 V N 3.987 123.935 119.914 0.057 0.000 2.435 353 V HA 0.665 4.785 4.120 0.001 0.000 0.290 353 V C 0.036 176.166 176.094 0.061 0.000 1.030 353 V CA -0.310 62.023 62.300 0.055 0.000 0.881 353 V CB 1.118 32.968 31.823 0.045 0.000 0.983 353 V HN 1.020 nan 8.190 nan 0.000 0.445 354 I N 2.397 123.005 120.570 0.062 0.000 2.689 354 I HA 0.736 4.906 4.170 0.001 0.000 0.299 354 I C -1.100 175.048 176.117 0.052 0.000 1.059 354 I CA -1.174 60.166 61.300 0.066 0.000 1.055 354 I CB 2.128 40.179 38.000 0.086 0.000 1.243 354 I HN 0.492 nan 8.210 nan 0.000 0.425 355 L N 4.471 125.724 121.223 0.050 0.000 2.265 355 L HA 0.449 4.789 4.340 0.001 0.000 0.289 355 L C -0.071 176.833 176.870 0.056 0.000 1.033 355 L CA 0.203 55.067 54.840 0.041 0.000 0.814 355 L CB 0.732 42.813 42.059 0.036 0.000 1.203 355 L HN 0.792 nan 8.230 nan 0.000 0.423 356 D N 2.161 122.587 120.400 0.043 0.000 2.538 356 D HA 0.081 4.721 4.640 0.001 0.000 0.234 356 D C 1.084 177.465 176.300 0.135 0.000 1.191 356 D CA 0.588 54.634 54.000 0.076 0.000 0.828 356 D CB -0.444 40.372 40.800 0.027 0.000 0.981 356 D HN 0.930 nan 8.370 nan 0.000 0.490 357 H N -2.109 116.964 119.070 0.005 0.000 4.188 357 H HA -0.301 4.256 4.556 0.001 0.000 0.157 357 H C 0.142 175.472 175.328 0.003 0.000 0.845 357 H CA 1.645 57.698 56.048 0.007 0.000 1.246 357 H CB -1.718 28.052 29.762 0.014 0.000 0.933 357 H HN 0.343 nan 8.280 nan 0.000 0.413 358 L N 0.345 121.320 121.223 -0.413 0.000 2.072 358 L HA 0.198 4.539 4.340 0.001 0.000 0.205 358 L C 1.736 178.508 176.870 -0.164 0.000 1.079 358 L CA 0.960 55.586 54.840 -0.358 0.000 0.752 358 L CB -0.070 41.834 42.059 -0.259 0.000 0.906 358 L HN 0.586 nan 8.230 nan 0.000 0.436 359 G N -0.430 108.313 108.800 -0.095 0.000 2.478 359 G HA2 0.434 4.394 3.960 0.001 0.000 0.317 359 G HA3 0.434 4.394 3.960 0.001 0.000 0.317 359 G C -1.059 173.813 174.900 -0.046 0.000 1.259 359 G CA -0.458 44.598 45.100 -0.072 0.000 0.933 359 G HN -0.031 nan 8.290 nan 0.000 0.478 360 N N 0.841 119.514 118.700 -0.044 0.000 2.443 360 N HA 0.330 5.070 4.740 0.001 0.000 0.293 360 N C -0.531 174.975 175.510 -0.006 0.000 1.159 360 N CA -0.862 52.173 53.050 -0.026 0.000 0.904 360 N CB 1.095 39.562 38.487 -0.033 0.000 1.214 360 N HN 0.323 nan 8.380 nan 0.000 0.513 361 N N 0.716 119.417 118.700 0.001 0.000 2.458 361 N HA 0.274 5.014 4.740 0.001 0.000 0.270 361 N C -0.557 174.962 175.510 0.015 0.000 1.102 361 N CA 0.012 53.071 53.050 0.014 0.000 0.967 361 N CB 0.693 39.190 38.487 0.015 0.000 1.078 361 N HN 0.233 nan 8.380 nan 0.000 0.471 362 R N 0.847 121.363 120.500 0.027 0.000 2.561 362 R HA 0.444 4.784 4.340 0.001 0.000 0.297 362 R C -0.781 175.548 176.300 0.049 0.000 0.969 362 R CA -0.720 55.401 56.100 0.034 0.000 0.879 362 R CB 1.624 31.947 30.300 0.038 0.000 1.178 362 R HN 0.387 nan 8.270 nan 0.000 0.445 363 T N 2.151 116.735 114.554 0.050 0.000 2.744 363 T HA 0.393 4.743 4.350 0.001 0.000 0.291 363 T C -0.414 174.328 174.700 0.070 0.000 0.957 363 T CA -0.433 61.703 62.100 0.060 0.000 1.002 363 T CB 1.238 70.143 68.868 0.062 0.000 0.919 363 T HN 0.122 nan 8.240 nan 0.000 0.468 364 V N 2.380 122.336 119.914 0.070 0.000 2.888 364 V HA 0.521 4.641 4.120 0.001 0.000 0.309 364 V C -0.011 176.106 176.094 0.038 0.000 1.114 364 V CA -0.911 61.436 62.300 0.079 0.000 0.940 364 V CB 2.518 34.406 31.823 0.108 0.000 1.021 364 V HN 0.924 nan 8.190 nan 0.000 0.426 365 S N 4.072 119.764 115.700 -0.014 0.000 2.548 365 S HA 0.255 4.726 4.470 0.001 0.000 0.277 365 S C 1.250 175.821 174.600 -0.049 0.000 1.315 365 S CA -0.211 57.891 58.200 -0.164 0.000 1.050 365 S CB 0.569 63.417 63.200 -0.586 0.000 0.918 365 S HN 0.743 nan 8.310 nan 0.000 0.497 366 I N 3.017 123.544 120.570 -0.072 0.000 2.423 366 I HA -0.174 3.997 4.170 0.001 0.000 0.254 366 I C 1.097 177.288 176.117 0.122 0.000 1.151 366 I CA 1.613 62.906 61.300 -0.012 0.000 1.421 366 I CB -0.201 37.660 38.000 -0.232 0.000 1.079 366 I HN 0.690 nan 8.210 nan 0.000 0.431 367 D N 1.100 121.535 120.400 0.057 0.000 2.218 367 D HA -0.140 4.501 4.640 0.001 0.000 0.204 367 D C 1.274 177.726 176.300 0.253 0.000 0.976 367 D CA 0.942 55.050 54.000 0.180 0.000 0.853 367 D CB -0.283 40.659 40.800 0.237 0.000 0.939 367 D HN 0.385 nan 8.370 nan 0.000 0.481 368 N N 0.084 118.913 118.700 0.215 0.000 2.313 368 N HA 0.114 4.854 4.740 0.001 0.000 0.207 368 N C -0.187 175.551 175.510 0.380 0.000 1.141 368 N CA 0.104 53.303 53.050 0.248 0.000 0.830 368 N CB 0.854 39.457 38.487 0.193 0.000 1.008 368 N HN 0.228 nan 8.380 nan 0.000 0.481 369 L N 0.505 122.008 121.223 0.468 0.000 2.354 369 L HA 0.468 4.808 4.340 0.001 0.000 0.264 369 L C -0.132 176.999 176.870 0.435 0.000 1.008 369 L CA -0.997 54.152 54.840 0.515 0.000 0.819 369 L CB 2.196 44.550 42.059 0.492 0.000 1.339 369 L HN -0.026 nan 8.230 nan 0.000 0.420 370 K N 1.244 121.604 120.400 -0.068 0.000 2.328 370 K HA 0.675 4.995 4.320 0.001 0.000 0.246 370 K C -2.879 173.254 176.600 -0.778 0.000 0.955 370 K CA -1.964 53.977 56.287 -0.577 0.000 0.817 370 K CB 1.959 33.855 32.500 -1.006 0.000 1.208 370 K HN 0.105 nan 8.250 nan 0.000 0.432 371 P HA 0.047 nan 4.420 nan 0.000 0.282 371 P C -0.673 176.284 177.300 -0.572 0.000 1.262 371 P CA -0.233 62.336 63.100 -0.884 0.000 0.773 371 P CB 0.822 31.913 31.700 -1.015 0.000 0.879 372 T N 2.466 116.782 114.554 -0.396 0.000 2.905 372 T HA 0.048 4.399 4.350 0.001 0.000 0.299 372 T C 0.868 175.380 174.700 -0.313 0.000 1.024 372 T CA 0.574 62.487 62.100 -0.312 0.000 1.151 372 T CB -0.236 68.514 68.868 -0.197 0.000 0.987 372 T HN 0.283 nan 8.240 nan 0.000 0.535 373 S N 2.641 118.123 115.700 -0.363 0.000 2.585 373 S HA 0.130 4.600 4.470 0.001 0.000 0.273 373 S C 0.719 175.060 174.600 -0.432 0.000 1.339 373 S CA -0.564 57.309 58.200 -0.545 0.000 1.028 373 S CB 0.086 62.779 63.200 -0.846 0.000 0.906 373 S HN 0.981 nan 8.310 nan 0.000 0.528 374 H N 0.420 119.431 119.070 -0.098 0.000 2.958 374 H HA -0.170 4.387 4.556 0.001 0.000 0.274 374 H C 0.286 175.572 175.328 -0.071 0.000 1.184 374 H CA 0.947 56.949 56.048 -0.076 0.000 1.143 374 H CB -2.359 27.358 29.762 -0.075 0.000 1.297 374 H HN 0.840 nan 8.280 nan 0.000 0.356 375 Q N 0.000 119.782 119.800 -0.030 0.000 2.315 375 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 375 Q CA 0.000 55.782 55.803 -0.034 0.000 1.022 375 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481