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 2jer_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKRIVGSTPK QDGFRMPGEF EPQEKVWMIW PERPDNWRDG GKPVQEAFTN DATA SEQUENCE VAKAISQFTP MNVVVSQQQF QNCRRQLPPE ITVYEMSNND AWVRDCGPSF DATA SEQUENCE VINDHGEIRG VDWTFNAWGG LVDGLYFPWD QDDLVAQKIC EIEHVDSYRT DATA SEQUENCE DDFVLEGGSF HVDGQGTVLT TEMCLLSEGR NPQLSKEAIE QKLCDYLNVE DATA SEQUENCE KVLWLGDGID PEETNGHVDD VACFIAPGEV ACIYTEDQNS PFYEAAQDAY DATA SEQUENCE QRLLKMTDAK GRQLKVHKLC CPVKNVTIKG SFKIDFVEGT MPREDGDICI DATA SEQUENCE ASYMNFLITN DGVIVPQYGD ENDRLALEQV QTMFPDKKIV GVNTVEVVYG DATA SEQUENCE GGNIHXITQQ EPKRVGG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.527 177.584 -0.095 0.000 1.274 2 A CA 0.000 51.977 52.037 -0.100 0.000 0.836 2 A CB 0.000 18.955 19.000 -0.074 0.000 0.831 3 K N 0.116 120.455 120.400 -0.103 0.000 2.156 3 K HA 0.642 4.962 4.320 -0.000 0.000 0.254 3 K C -0.376 176.135 176.600 -0.148 0.000 0.950 3 K CA -0.725 55.495 56.287 -0.113 0.000 0.849 3 K CB 1.453 33.887 32.500 -0.110 0.000 1.100 3 K HN 0.646 nan 8.250 nan 0.000 0.434 4 R N 3.055 123.473 120.500 -0.137 0.000 2.298 4 R HA 0.224 4.564 4.340 -0.000 0.000 0.310 4 R C -0.316 175.860 176.300 -0.206 0.000 1.068 4 R CA -0.322 55.681 56.100 -0.162 0.000 0.957 4 R CB 0.407 30.645 30.300 -0.103 0.000 1.003 4 R HN 0.450 nan 8.270 nan 0.000 0.454 5 I N 6.338 126.701 120.570 -0.345 0.000 2.352 5 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 5 I C -0.052 175.952 176.117 -0.188 0.000 1.036 5 I CA -0.314 60.756 61.300 -0.382 0.000 1.336 5 I CB 0.744 38.225 38.000 -0.864 0.000 1.407 5 I HN 0.363 nan 8.210 nan 0.000 0.497 6 V N 2.196 122.060 119.914 -0.083 0.000 2.680 6 V HA 0.954 5.074 4.120 -0.000 0.000 0.309 6 V C 0.670 176.777 176.094 0.022 0.000 1.052 6 V CA -0.250 62.048 62.300 -0.004 0.000 0.908 6 V CB 1.285 33.101 31.823 -0.011 0.000 1.001 6 V HN 1.021 nan 8.190 nan 0.000 0.431 7 G N 2.457 111.289 108.800 0.053 0.000 2.143 7 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.249 7 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.249 7 G C 0.172 175.102 174.900 0.049 0.000 0.981 7 G CA 0.728 45.854 45.100 0.044 0.000 0.665 7 G HN 2.234 nan 8.290 nan 0.000 0.528 8 S N -1.534 114.216 115.700 0.084 0.000 2.625 8 S HA 0.883 5.353 4.470 -0.000 0.000 0.271 8 S C -0.474 174.159 174.600 0.055 0.000 1.161 8 S CA 0.399 58.641 58.200 0.070 0.000 0.820 8 S CB 2.292 65.550 63.200 0.097 0.000 1.137 8 S HN 1.639 nan 8.310 nan 0.000 0.470 9 T N -2.250 112.217 114.554 -0.144 0.000 2.942 9 T HA 0.670 5.020 4.350 -0.000 0.000 0.289 9 T C -2.439 171.902 174.700 -0.599 0.000 1.044 9 T CA -2.136 59.615 62.100 -0.581 0.000 1.023 9 T CB 1.110 69.572 68.868 -0.677 0.000 1.123 9 T HN 0.270 nan 8.240 nan 0.000 0.512 10 P HA -0.155 nan 4.420 nan 0.000 0.216 10 P C 1.537 178.738 177.300 -0.165 0.000 1.157 10 P CA 1.320 64.065 63.100 -0.592 0.000 0.880 10 P CB 0.109 31.477 31.700 -0.554 0.000 0.791 11 K N -0.113 120.150 120.400 -0.227 0.000 2.032 11 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 11 K C 2.162 178.732 176.600 -0.050 0.000 1.048 11 K CA 1.606 57.829 56.287 -0.107 0.000 0.927 11 K CB -0.349 32.074 32.500 -0.129 0.000 0.712 11 K HN 0.125 nan 8.250 nan 0.000 0.441 12 Q N -0.120 119.634 119.800 -0.076 0.000 2.291 12 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 12 Q C 0.661 176.692 176.000 0.051 0.000 0.976 12 Q CA 1.087 56.878 55.803 -0.020 0.000 0.875 12 Q CB 0.186 28.904 28.738 -0.032 0.000 0.927 12 Q HN 0.362 nan 8.270 nan 0.000 0.450 13 D N -1.241 119.229 120.400 0.117 0.000 2.349 13 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 13 D C 0.792 177.286 176.300 0.324 0.000 1.063 13 D CA 0.650 54.810 54.000 0.267 0.000 0.847 13 D CB 0.780 41.814 40.800 0.389 0.000 0.933 13 D HN 0.331 nan 8.370 nan 0.000 0.513 14 G N 0.711 109.612 108.800 0.168 0.000 2.137 14 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.237 14 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.237 14 G C -0.061 174.772 174.900 -0.111 0.000 1.002 14 G CA -0.341 44.769 45.100 0.017 0.000 0.702 14 G HN 0.213 nan 8.290 nan 0.000 0.515 15 F N 0.621 120.573 119.950 0.004 0.000 2.422 15 F HA 0.763 5.290 4.527 0.000 0.000 0.333 15 F C 0.943 176.727 175.800 -0.027 0.000 1.095 15 F CA -0.646 57.360 58.000 0.011 0.000 1.038 15 F CB 1.403 40.436 39.000 0.054 0.000 1.156 15 F HN 0.373 nan 8.300 nan 0.000 0.483 16 R N 2.810 123.395 120.500 0.142 0.000 2.771 16 R HA 0.658 4.998 4.340 -0.000 0.000 0.274 16 R C -1.381 174.989 176.300 0.117 0.000 0.987 16 R CA -1.012 55.136 56.100 0.081 0.000 0.908 16 R CB 1.944 32.256 30.300 0.020 0.000 1.213 16 R HN 0.771 nan 8.270 nan 0.000 0.468 17 M N 4.147 123.813 119.600 0.110 0.000 2.146 17 M HA 0.316 4.796 4.480 -0.000 0.000 0.352 17 M C -2.172 174.181 176.300 0.088 0.000 1.343 17 M CA -1.697 53.692 55.300 0.148 0.000 1.115 17 M CB 1.105 33.834 32.600 0.215 0.000 1.657 17 M HN 0.519 nan 8.290 nan 0.000 0.471 18 P HA 0.252 nan 4.420 nan 0.000 0.276 18 P C -0.185 177.044 177.300 -0.119 0.000 1.252 18 P CA -0.253 62.832 63.100 -0.024 0.000 0.802 18 P CB 0.428 32.118 31.700 -0.016 0.000 1.035 19 G N 0.358 108.946 108.800 -0.353 0.000 2.614 19 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.239 19 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.239 19 G C 0.780 175.273 174.900 -0.678 0.000 1.240 19 G CA -0.222 44.406 45.100 -0.787 0.000 0.842 19 G HN 0.648 nan 8.290 nan 0.000 0.584 20 E N 0.447 120.378 120.200 -0.448 0.000 2.338 20 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 20 E C 1.624 178.166 176.600 -0.097 0.000 1.007 20 E CA 0.859 57.194 56.400 -0.109 0.000 0.849 20 E CB -0.108 29.673 29.700 0.136 0.000 0.774 20 E HN 0.630 nan 8.360 nan 0.000 0.506 21 F N 0.082 120.120 119.950 0.146 0.000 2.797 21 F HA 0.346 4.873 4.527 -0.000 0.000 0.302 21 F C 0.398 176.252 175.800 0.091 0.000 1.130 21 F CA -0.413 57.663 58.000 0.126 0.000 1.387 21 F CB -0.308 38.814 39.000 0.203 0.000 1.107 21 F HN -0.243 nan 8.300 nan 0.000 0.577 22 E N 2.031 122.172 120.200 -0.098 0.000 2.349 22 E HA 0.235 4.585 4.350 -0.000 0.000 0.262 22 E C -2.302 174.318 176.600 0.033 0.000 1.088 22 E CA -2.128 54.285 56.400 0.021 0.000 0.899 22 E CB 0.175 29.840 29.700 -0.059 0.000 1.044 22 E HN -0.032 nan 8.360 nan 0.000 0.420 23 P HA -0.046 nan 4.420 nan 0.000 0.266 23 P C -1.141 176.174 177.300 0.025 0.000 1.195 23 P CA 0.537 63.660 63.100 0.039 0.000 0.768 23 P CB 0.422 32.144 31.700 0.036 0.000 0.838 24 Q N 1.181 120.997 119.800 0.026 0.000 2.337 24 Q HA 0.187 4.527 4.340 -0.000 0.000 0.266 24 Q C 0.581 176.583 176.000 0.004 0.000 1.023 24 Q CA -0.489 55.325 55.803 0.018 0.000 0.829 24 Q CB 1.964 30.721 28.738 0.033 0.000 1.306 24 Q HN 0.339 nan 8.270 nan 0.000 0.449 25 E N 2.578 122.767 120.200 -0.019 0.000 2.086 25 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 25 E C -0.507 176.065 176.600 -0.047 0.000 0.975 25 E CA 1.265 57.646 56.400 -0.032 0.000 0.813 25 E CB 0.497 30.166 29.700 -0.051 0.000 0.768 25 E HN 0.491 nan 8.360 nan 0.000 0.457 26 K N -2.437 117.930 120.400 -0.056 0.000 2.615 26 K HA 0.518 4.838 4.320 -0.000 0.000 0.291 26 K C -1.451 175.084 176.600 -0.107 0.000 1.017 26 K CA -0.974 55.239 56.287 -0.124 0.000 0.882 26 K CB 1.553 33.917 32.500 -0.226 0.000 1.522 26 K HN -0.148 nan 8.250 nan 0.000 0.412 27 V N 0.249 120.038 119.914 -0.208 0.000 2.914 27 V HA 0.560 4.680 4.120 -0.000 0.000 0.314 27 V C -1.486 174.422 176.094 -0.309 0.000 1.084 27 V CA -0.636 61.605 62.300 -0.097 0.000 0.963 27 V CB 1.621 33.442 31.823 -0.003 0.000 1.025 27 V HN 0.760 nan 8.190 nan 0.000 0.432 28 W N 3.137 124.494 121.300 0.095 0.000 2.781 28 W HA 0.866 5.526 4.660 -0.000 0.000 0.345 28 W C -0.179 176.397 176.519 0.094 0.000 1.085 28 W CA -0.460 56.949 57.345 0.107 0.000 1.198 28 W CB 1.810 31.342 29.460 0.120 0.000 1.423 28 W HN 0.487 nan 8.180 nan 0.000 0.532 29 M N 2.826 122.643 119.600 0.363 0.000 2.471 29 M HA 0.540 5.020 4.480 -0.000 0.000 0.284 29 M C -2.091 174.405 176.300 0.326 0.000 1.203 29 M CA -0.480 54.984 55.300 0.274 0.000 0.915 29 M CB 1.733 34.456 32.600 0.205 0.000 1.734 29 M HN 0.435 nan 8.290 nan 0.000 0.485 30 I N 2.775 123.527 120.570 0.303 0.000 2.437 30 I HA 0.306 4.476 4.170 -0.000 0.000 0.298 30 I C -0.775 175.516 176.117 0.290 0.000 0.984 30 I CA -0.472 60.995 61.300 0.279 0.000 1.214 30 I CB 1.397 39.514 38.000 0.195 0.000 1.365 30 I HN 0.664 nan 8.210 nan 0.000 0.469 31 W N 8.446 129.747 121.300 0.001 0.000 2.304 31 W HA 0.258 4.918 4.660 0.000 0.000 0.313 31 W C -2.409 173.889 176.519 -0.368 0.000 1.323 31 W CA -1.461 55.775 57.345 -0.181 0.000 1.223 31 W CB 1.242 30.638 29.460 -0.107 0.000 1.237 31 W HN 0.245 nan 8.180 nan 0.000 0.535 32 P HA 0.129 nan 4.420 nan 0.000 0.284 32 P C -0.515 176.246 177.300 -0.898 0.000 1.258 32 P CA 0.300 62.689 63.100 -1.185 0.000 0.824 32 P CB 1.852 32.209 31.700 -2.239 0.000 1.038 33 E N 0.934 120.893 120.200 -0.401 0.000 2.370 33 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 33 E C 0.078 176.746 176.600 0.114 0.000 1.001 33 E CA -0.464 55.848 56.400 -0.147 0.000 1.531 33 E CB -0.321 29.352 29.700 -0.046 0.000 2.982 33 E HN 0.383 nan 8.360 nan 0.000 1.057 34 R N 2.832 123.487 120.500 0.259 0.000 2.484 34 R HA 0.200 4.540 4.340 -0.000 0.000 0.293 34 R C -1.779 174.624 176.300 0.173 0.000 1.023 34 R CA -0.820 55.380 56.100 0.166 0.000 1.037 34 R CB 0.279 30.626 30.300 0.079 0.000 0.951 34 R HN -0.054 nan 8.270 nan 0.000 0.418 35 P HA -0.081 nan 4.420 nan 0.000 0.241 35 P C -0.219 177.117 177.300 0.060 0.000 1.191 35 P CA 0.675 63.831 63.100 0.093 0.000 0.771 35 P CB 0.160 31.901 31.700 0.069 0.000 0.929 36 D N -1.556 118.859 120.400 0.027 0.000 2.339 36 D HA -0.031 4.609 4.640 -0.000 0.000 0.217 36 D C 1.203 177.478 176.300 -0.041 0.000 1.050 36 D CA 0.027 54.027 54.000 0.001 0.000 0.856 36 D CB -0.827 39.961 40.800 -0.021 0.000 0.922 36 D HN 0.251 nan 8.370 nan 0.000 0.518 37 N N -1.268 117.364 118.700 -0.113 0.000 2.677 37 N HA 0.039 4.779 4.740 -0.000 0.000 0.242 37 N C -0.566 174.732 175.510 -0.353 0.000 1.044 37 N CA -0.334 52.514 53.050 -0.336 0.000 0.934 37 N CB 0.500 38.634 38.487 -0.587 0.000 1.595 37 N HN -0.021 nan 8.380 nan 0.000 0.459 38 W N 4.027 125.360 121.300 0.054 0.000 2.361 38 W HA 0.381 5.041 4.660 0.000 0.000 0.309 38 W C 0.251 176.760 176.519 -0.016 0.000 1.122 38 W CA -1.047 56.304 57.345 0.011 0.000 1.208 38 W CB 0.767 30.182 29.460 -0.076 0.000 1.246 38 W HN 0.047 nan 8.180 nan 0.000 0.490 39 R N 2.581 123.197 120.500 0.192 0.000 2.734 39 R HA 0.046 4.386 4.340 -0.000 0.000 0.266 39 R C -0.283 176.046 176.300 0.047 0.000 1.044 39 R CA -0.057 56.078 56.100 0.058 0.000 1.128 39 R CB 0.376 30.603 30.300 -0.121 0.000 1.010 39 R HN 0.635 nan 8.270 nan 0.000 0.461 40 D N 0.852 121.272 120.400 0.033 0.000 2.772 40 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 40 D C 0.767 177.081 176.300 0.023 0.000 1.143 40 D CA 1.896 55.908 54.000 0.021 0.000 0.700 40 D CB -1.451 39.345 40.800 -0.006 0.000 1.076 40 D HN 1.042 nan 8.370 nan 0.000 0.430 41 G N -1.232 107.597 108.800 0.047 0.000 2.258 41 G HA2 0.018 3.978 3.960 -0.000 0.000 0.274 41 G HA3 0.018 3.978 3.960 -0.000 0.000 0.274 41 G C 1.280 176.181 174.900 0.002 0.000 1.021 41 G CA 1.101 46.226 45.100 0.041 0.000 0.798 41 G HN 1.653 nan 8.290 nan 0.000 0.507 42 G N -1.259 107.542 108.800 0.002 0.000 2.179 42 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 42 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 42 G C 1.378 176.130 174.900 -0.245 0.000 0.977 42 G CA 1.288 46.289 45.100 -0.166 0.000 0.641 42 G HN 0.766 nan 8.290 nan 0.000 0.533 43 K N 0.612 120.937 120.400 -0.125 0.000 2.026 43 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 43 K C 0.074 176.590 176.600 -0.140 0.000 1.048 43 K CA 1.894 58.111 56.287 -0.116 0.000 0.929 43 K CB -1.306 31.167 32.500 -0.045 0.000 0.713 43 K HN 0.398 nan 8.250 nan 0.000 0.439 44 P HA -0.110 nan 4.420 nan 0.000 0.216 44 P C 1.771 178.984 177.300 -0.146 0.000 1.153 44 P CA 0.725 63.775 63.100 -0.085 0.000 0.848 44 P CB 0.040 31.717 31.700 -0.038 0.000 0.787 45 V N -0.425 119.345 119.914 -0.240 0.000 2.515 45 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 45 V C 2.212 177.960 176.094 -0.577 0.000 1.058 45 V CA 1.886 63.940 62.300 -0.410 0.000 1.064 45 V CB -0.982 30.372 31.823 -0.780 0.000 0.675 45 V HN 0.095 nan 8.190 nan 0.000 0.461 46 Q N -0.361 119.021 119.800 -0.697 0.000 2.084 46 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 46 Q C 2.231 177.984 176.000 -0.411 0.000 0.978 46 Q CA 2.179 57.444 55.803 -0.897 0.000 0.844 46 Q CB -0.191 28.021 28.738 -0.875 0.000 0.898 46 Q HN 0.797 nan 8.270 nan 0.000 0.426 47 E N 0.271 120.351 120.200 -0.201 0.000 2.077 47 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 47 E C 1.873 178.452 176.600 -0.034 0.000 0.989 47 E CA 0.997 57.360 56.400 -0.061 0.000 0.800 47 E CB -0.064 29.613 29.700 -0.038 0.000 0.746 47 E HN 0.355 nan 8.360 nan 0.000 0.452 48 A N 0.424 123.215 122.820 -0.048 0.000 1.877 48 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 48 A C 1.910 179.517 177.584 0.039 0.000 1.186 48 A CA 1.258 53.293 52.037 -0.002 0.000 0.620 48 A CB -0.901 18.100 19.000 0.002 0.000 0.822 48 A HN 0.352 nan 8.150 nan 0.000 0.443 49 F N 0.952 120.744 119.950 -0.264 0.000 2.161 49 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 49 F C 2.772 178.529 175.800 -0.072 0.000 1.089 49 F CA 1.720 59.589 58.000 -0.219 0.000 1.282 49 F CB -1.159 37.615 39.000 -0.376 0.000 1.010 49 F HN 0.159 nan 8.300 nan 0.000 0.485 50 T N -0.032 114.620 114.554 0.164 0.000 2.684 50 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 50 T C 1.832 176.581 174.700 0.081 0.000 1.036 50 T CA 1.606 63.813 62.100 0.179 0.000 1.148 50 T CB -0.347 68.632 68.868 0.184 0.000 0.863 50 T HN 0.169 nan 8.240 nan 0.000 0.436 51 N N 0.867 119.592 118.700 0.042 0.000 2.166 51 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 51 N C 1.981 177.493 175.510 0.003 0.000 1.019 51 N CA 0.719 53.778 53.050 0.015 0.000 0.856 51 N CB -0.719 37.770 38.487 0.003 0.000 0.993 51 N HN 0.220 nan 8.380 nan 0.000 0.426 52 V N 1.625 121.529 119.914 -0.016 0.000 2.295 52 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 52 V C 2.466 178.556 176.094 -0.008 0.000 1.049 52 V CA 1.798 64.076 62.300 -0.037 0.000 1.024 52 V CB -1.025 30.718 31.823 -0.134 0.000 0.648 52 V HN 0.284 nan 8.190 nan 0.000 0.447 53 A N -0.238 122.588 122.820 0.011 0.000 1.908 53 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 53 A C 2.289 179.877 177.584 0.008 0.000 1.181 53 A CA 2.167 54.220 52.037 0.025 0.000 0.627 53 A CB -0.478 18.565 19.000 0.072 0.000 0.818 53 A HN 0.556 nan 8.150 nan 0.000 0.445 54 K N -0.405 119.999 120.400 0.006 0.000 2.057 54 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 54 K C 2.338 178.917 176.600 -0.034 0.000 1.049 54 K CA 1.173 57.448 56.287 -0.020 0.000 0.931 54 K CB -0.348 32.143 32.500 -0.016 0.000 0.714 54 K HN 0.451 nan 8.250 nan 0.000 0.440 55 A N 1.374 124.192 122.820 -0.003 0.000 1.902 55 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 55 A C 2.135 179.762 177.584 0.070 0.000 1.181 55 A CA 1.393 53.445 52.037 0.026 0.000 0.623 55 A CB -0.611 18.431 19.000 0.070 0.000 0.818 55 A HN 0.186 nan 8.150 nan 0.000 0.443 56 I N 0.711 121.335 120.570 0.089 0.000 2.226 56 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 56 I C 2.838 178.996 176.117 0.069 0.000 1.100 56 I CA 1.566 62.955 61.300 0.149 0.000 1.374 56 I CB -0.283 37.765 38.000 0.080 0.000 1.057 56 I HN 0.505 nan 8.210 nan 0.000 0.413 57 S N 1.149 116.833 115.700 -0.027 0.000 2.440 57 S HA -0.287 4.183 4.470 -0.000 0.000 0.238 57 S C 1.926 176.430 174.600 -0.160 0.000 1.010 57 S CA 1.367 59.521 58.200 -0.078 0.000 0.972 57 S CB -0.722 62.430 63.200 -0.081 0.000 0.774 57 S HN 0.703 nan 8.310 nan 0.000 0.501 58 Q N -0.405 119.208 119.800 -0.311 0.000 2.369 58 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 58 Q C 1.118 176.726 176.000 -0.654 0.000 0.963 58 Q CA 1.053 56.533 55.803 -0.539 0.000 0.894 58 Q CB -0.421 27.881 28.738 -0.726 0.000 0.965 58 Q HN 0.666 nan 8.270 nan 0.000 0.475 59 F N 0.540 120.472 119.950 -0.030 0.000 2.602 59 F HA 0.342 4.869 4.527 -0.000 0.000 0.284 59 F C 0.342 176.125 175.800 -0.029 0.000 1.111 59 F CA 0.123 58.106 58.000 -0.027 0.000 1.405 59 F CB 0.947 39.931 39.000 -0.027 0.000 1.121 59 F HN -0.182 nan 8.300 nan 0.000 0.603 60 T N 0.639 115.260 114.554 0.112 0.000 3.041 60 T HA 0.309 4.659 4.350 -0.000 0.000 0.321 60 T C -2.885 171.805 174.700 -0.015 0.000 1.184 60 T CA -1.405 60.727 62.100 0.052 0.000 1.050 60 T CB 2.363 71.273 68.868 0.071 0.000 1.159 60 T HN -0.422 nan 8.240 nan 0.000 0.469 61 P HA 0.260 nan 4.420 nan 0.000 0.262 61 P C -0.808 176.410 177.300 -0.137 0.000 1.182 61 P CA -0.258 62.788 63.100 -0.090 0.000 0.761 61 P CB 0.334 31.979 31.700 -0.093 0.000 0.795 62 M N 3.750 123.265 119.600 -0.142 0.000 2.528 62 M HA 0.440 4.920 4.480 -0.000 0.000 0.321 62 M C -1.165 175.010 176.300 -0.208 0.000 1.153 62 M CA -0.150 55.055 55.300 -0.158 0.000 0.951 62 M CB 1.372 33.922 32.600 -0.083 0.000 1.705 62 M HN 0.156 nan 8.290 nan 0.000 0.451 63 N N 2.700 121.243 118.700 -0.261 0.000 2.287 63 N HA 0.631 5.371 4.740 -0.000 0.000 0.289 63 N C -1.925 173.592 175.510 0.013 0.000 1.066 63 N CA -0.473 52.436 53.050 -0.235 0.000 0.841 63 N CB 2.459 40.450 38.487 -0.827 0.000 1.599 63 N HN 0.468 nan 8.380 nan 0.000 0.476 64 V N 1.318 121.321 119.914 0.149 0.000 2.656 64 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 64 V C 0.029 176.324 176.094 0.335 0.000 1.051 64 V CA -0.885 61.559 62.300 0.240 0.000 0.893 64 V CB 2.013 33.938 31.823 0.170 0.000 0.999 64 V HN 0.498 nan 8.190 nan 0.000 0.426 65 V N 3.189 123.327 119.914 0.373 0.000 2.667 65 V HA 0.983 5.103 4.120 -0.000 0.000 0.308 65 V C -0.713 175.549 176.094 0.279 0.000 1.048 65 V CA -0.656 61.861 62.300 0.362 0.000 0.928 65 V CB 1.823 33.846 31.823 0.333 0.000 1.004 65 V HN 0.856 nan 8.190 nan 0.000 0.444 66 V N 3.349 123.412 119.914 0.249 0.000 3.048 66 V HA 0.680 4.800 4.120 -0.000 0.000 0.303 66 V C 0.245 176.457 176.094 0.196 0.000 1.214 66 V CA 0.328 62.752 62.300 0.208 0.000 0.984 66 V CB 2.606 34.449 31.823 0.034 0.000 1.054 66 V HN 1.752 nan 8.190 nan 0.000 0.430 67 S N 3.786 119.592 115.700 0.175 0.000 2.572 67 S HA 0.052 4.522 4.470 -0.000 0.000 0.267 67 S C 1.074 175.755 174.600 0.134 0.000 1.361 67 S CA 0.985 59.266 58.200 0.135 0.000 1.009 67 S CB 0.764 64.037 63.200 0.121 0.000 0.888 67 S HN 1.044 nan 8.310 nan 0.000 0.553 68 Q N 0.114 119.966 119.800 0.086 0.000 2.062 68 Q HA -0.276 4.064 4.340 -0.000 0.000 0.209 68 Q C 2.170 178.225 176.000 0.092 0.000 0.996 68 Q CA 1.985 57.825 55.803 0.061 0.000 0.859 68 Q CB -0.278 28.475 28.738 0.025 0.000 0.920 68 Q HN 0.860 nan 8.270 nan 0.000 0.415 69 Q N -0.380 119.470 119.800 0.084 0.000 2.119 69 Q HA -0.148 4.192 4.340 -0.000 0.000 0.201 69 Q C 1.712 177.768 176.000 0.092 0.000 0.972 69 Q CA 1.312 57.163 55.803 0.079 0.000 0.847 69 Q CB 0.143 28.922 28.738 0.068 0.000 0.903 69 Q HN 0.442 nan 8.270 nan 0.000 0.433 70 Q N -0.729 119.136 119.800 0.109 0.000 2.425 70 Q HA -0.004 4.336 4.340 -0.000 0.000 0.204 70 Q C 1.635 177.592 176.000 -0.071 0.000 0.933 70 Q CA -0.086 55.758 55.803 0.069 0.000 0.939 70 Q CB -0.120 28.742 28.738 0.206 0.000 1.044 70 Q HN 0.328 nan 8.270 nan 0.000 0.513 71 F N 2.109 121.989 119.950 -0.116 0.000 2.065 71 F HA -0.321 4.206 4.527 -0.000 0.000 0.298 71 F C 2.149 177.833 175.800 -0.194 0.000 1.112 71 F CA 1.940 59.843 58.000 -0.162 0.000 1.212 71 F CB 0.143 39.090 39.000 -0.089 0.000 0.975 71 F HN 0.107 nan 8.300 nan 0.000 0.476 72 Q N -0.373 119.400 119.800 -0.045 0.000 2.084 72 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 72 Q C 2.009 177.846 176.000 -0.271 0.000 0.978 72 Q CA 1.671 57.384 55.803 -0.150 0.000 0.844 72 Q CB -0.525 28.231 28.738 0.029 0.000 0.898 72 Q HN 0.496 nan 8.270 nan 0.000 0.426 73 N N 0.581 119.156 118.700 -0.210 0.000 2.084 73 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 73 N C 1.865 177.127 175.510 -0.414 0.000 1.030 73 N CA 1.450 54.380 53.050 -0.200 0.000 0.849 73 N CB -0.539 37.914 38.487 -0.058 0.000 1.012 73 N HN 0.283 nan 8.380 nan 0.000 0.423 74 C N 0.452 119.301 119.300 -0.751 0.000 2.413 74 C HA -0.027 4.433 4.460 -0.000 0.000 0.276 74 C C 2.790 177.266 174.990 -0.857 0.000 1.236 74 C CA 1.516 59.737 59.018 -1.327 0.000 1.735 74 C CB -1.253 25.556 27.740 -1.551 0.000 2.031 74 C HN 0.558 nan 8.230 nan 0.000 0.474 75 R N 0.641 120.672 120.500 -0.782 0.000 2.096 75 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 75 R C 2.479 178.549 176.300 -0.384 0.000 1.127 75 R CA 1.620 57.349 56.100 -0.620 0.000 0.968 75 R CB -0.680 29.147 30.300 -0.789 0.000 0.861 75 R HN 0.496 nan 8.270 nan 0.000 0.440 76 R N 0.101 120.405 120.500 -0.327 0.000 2.075 76 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 76 R C 2.028 178.230 176.300 -0.163 0.000 1.126 76 R CA 1.280 57.261 56.100 -0.199 0.000 0.963 76 R CB -0.243 29.967 30.300 -0.149 0.000 0.858 76 R HN 0.405 nan 8.270 nan 0.000 0.435 77 Q N 0.397 120.083 119.800 -0.190 0.000 2.123 77 Q HA 0.042 4.381 4.340 -0.000 0.000 0.199 77 Q C 0.843 176.799 176.000 -0.074 0.000 0.966 77 Q CA 0.679 56.433 55.803 -0.082 0.000 0.845 77 Q CB -0.037 28.719 28.738 0.030 0.000 0.907 77 Q HN 0.268 nan 8.270 nan 0.000 0.439 78 L N 3.217 124.347 121.223 -0.155 0.000 2.350 78 L HA 0.246 4.586 4.340 -0.000 0.000 0.275 78 L C -1.999 174.805 176.870 -0.109 0.000 1.099 78 L CA -1.984 52.791 54.840 -0.109 0.000 0.808 78 L CB 0.658 42.626 42.059 -0.151 0.000 1.149 78 L HN -0.030 nan 8.230 nan 0.000 0.442 79 P HA 0.082 nan 4.420 nan 0.000 0.269 79 P C -2.213 175.030 177.300 -0.094 0.000 1.215 79 P CA -1.367 61.686 63.100 -0.078 0.000 0.780 79 P CB 0.112 31.774 31.700 -0.063 0.000 0.898 80 P HA -0.162 nan 4.420 nan 0.000 0.222 80 P C 1.186 178.430 177.300 -0.093 0.000 1.147 80 P CA 1.401 64.444 63.100 -0.095 0.000 0.790 80 P CB -0.064 31.589 31.700 -0.080 0.000 0.780 81 E N 0.380 120.529 120.200 -0.084 0.000 2.409 81 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 81 E C 0.751 177.295 176.600 -0.093 0.000 1.024 81 E CA 0.389 56.739 56.400 -0.083 0.000 0.861 81 E CB -0.583 29.071 29.700 -0.077 0.000 0.788 81 E HN 0.340 nan 8.360 nan 0.000 0.521 82 I N 2.628 123.138 120.570 -0.099 0.000 2.325 82 I HA 0.089 4.259 4.170 -0.000 0.000 0.291 82 I C -0.003 176.036 176.117 -0.130 0.000 1.019 82 I CA -0.466 60.772 61.300 -0.105 0.000 1.302 82 I CB 1.446 39.395 38.000 -0.084 0.000 1.401 82 I HN -0.197 nan 8.210 nan 0.000 0.485 83 T N 5.997 120.467 114.554 -0.140 0.000 2.869 83 T HA 0.351 4.701 4.350 -0.000 0.000 0.295 83 T C -0.034 174.552 174.700 -0.189 0.000 0.987 83 T CA -0.336 61.646 62.100 -0.197 0.000 1.109 83 T CB 1.387 70.130 68.868 -0.208 0.000 0.932 83 T HN 0.218 nan 8.240 nan 0.000 0.518 84 V N 3.921 123.679 119.914 -0.260 0.000 2.540 84 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 84 V C -1.192 174.841 176.094 -0.100 0.000 1.035 84 V CA -0.906 61.309 62.300 -0.141 0.000 0.873 84 V CB 1.117 32.771 31.823 -0.281 0.000 0.992 84 V HN 0.797 nan 8.190 nan 0.000 0.428 85 Y N 1.446 121.884 120.300 0.228 0.000 2.468 85 Y HA 0.464 5.014 4.550 -0.000 0.000 0.342 85 Y C 0.375 176.441 175.900 0.276 0.000 1.021 85 Y CA -0.826 57.433 58.100 0.264 0.000 1.079 85 Y CB 1.585 40.196 38.460 0.251 0.000 1.226 85 Y HN 0.653 nan 8.280 nan 0.000 0.460 86 E N 3.655 124.051 120.200 0.327 0.000 2.338 86 E HA 0.395 4.745 4.350 -0.000 0.000 0.272 86 E C -1.132 175.579 176.600 0.184 0.000 1.029 86 E CA -0.251 56.268 56.400 0.199 0.000 0.872 86 E CB 0.625 30.302 29.700 -0.038 0.000 1.015 86 E HN 0.727 nan 8.360 nan 0.000 0.417 87 M N 3.326 123.022 119.600 0.161 0.000 2.296 87 M HA 0.187 4.667 4.480 -0.000 0.000 0.268 87 M C -1.354 175.003 176.300 0.095 0.000 1.048 87 M CA -0.288 55.078 55.300 0.110 0.000 0.966 87 M CB 1.789 34.456 32.600 0.112 0.000 1.912 87 M HN 0.403 nan 8.290 nan 0.000 0.484 88 S N 3.478 119.216 115.700 0.063 0.000 2.568 88 S HA 0.411 4.881 4.470 -0.000 0.000 0.282 88 S C -0.506 174.133 174.600 0.066 0.000 1.338 88 S CA -0.015 58.220 58.200 0.058 0.000 1.045 88 S CB 0.157 63.378 63.200 0.035 0.000 0.873 88 S HN 0.796 nan 8.310 nan 0.000 0.516 89 N N 0.337 119.081 118.700 0.075 0.000 2.961 89 N HA 0.333 5.073 4.740 -0.000 0.000 0.245 89 N C -0.518 175.046 175.510 0.091 0.000 1.404 89 N CA -0.865 52.241 53.050 0.094 0.000 0.880 89 N CB 0.567 39.120 38.487 0.111 0.000 1.461 89 N HN 0.287 nan 8.380 nan 0.000 0.510 90 N N -0.759 118.019 118.700 0.130 0.000 2.482 90 N HA 0.087 4.827 4.740 -0.000 0.000 0.179 90 N C -0.822 174.662 175.510 -0.043 0.000 1.039 90 N CA 0.758 53.836 53.050 0.046 0.000 0.884 90 N CB 0.099 38.666 38.487 0.133 0.000 1.113 90 N HN 0.680 nan 8.380 nan 0.000 0.440 91 D N -1.322 119.193 120.400 0.191 0.000 2.812 91 D HA 0.480 5.120 4.640 -0.000 0.000 0.318 91 D C -1.399 175.100 176.300 0.331 0.000 1.234 91 D CA -0.586 53.602 54.000 0.313 0.000 0.989 91 D CB 1.248 42.397 40.800 0.581 0.000 1.442 91 D HN -0.063 nan 8.370 nan 0.000 0.537 92 A N 0.613 123.524 122.820 0.152 0.000 3.106 92 A HA 0.399 4.719 4.320 -0.000 0.000 0.306 92 A C -1.149 176.321 177.584 -0.191 0.000 1.192 92 A CA -0.534 51.460 52.037 -0.071 0.000 0.994 92 A CB -0.634 18.194 19.000 -0.287 0.000 1.107 92 A HN 0.328 nan 8.150 nan 0.000 0.585 93 W N -0.150 121.406 121.300 0.426 0.000 2.165 93 W HA 0.370 5.030 4.660 -0.000 0.000 0.288 93 W C 0.821 177.484 176.519 0.240 0.000 0.900 93 W CA -0.459 57.133 57.345 0.411 0.000 1.914 93 W CB 0.871 30.717 29.460 0.645 0.000 2.091 93 W HN 0.109 nan 8.180 nan 0.000 0.399 94 V N 1.936 122.025 119.914 0.291 0.000 2.970 94 V HA -0.230 3.890 4.120 -0.000 0.000 0.260 94 V C 2.568 178.744 176.094 0.137 0.000 1.100 94 V CA 1.777 64.176 62.300 0.165 0.000 1.122 94 V CB -0.114 31.809 31.823 0.167 0.000 0.721 94 V HN 0.386 nan 8.190 nan 0.000 0.483 95 R N 0.949 121.553 120.500 0.175 0.000 2.139 95 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 95 R C 1.585 177.946 176.300 0.102 0.000 1.145 95 R CA 2.450 58.598 56.100 0.082 0.000 0.976 95 R CB -0.515 29.819 30.300 0.056 0.000 0.866 95 R HN 0.555 nan 8.270 nan 0.000 0.449 96 D N -1.857 118.670 120.400 0.210 0.000 2.394 96 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 96 D C 1.508 177.773 176.300 -0.058 0.000 0.990 96 D CA 1.200 55.325 54.000 0.210 0.000 0.902 96 D CB -0.030 41.122 40.800 0.587 0.000 1.038 96 D HN 0.477 nan 8.370 nan 0.000 0.499 97 C N -0.063 119.030 119.300 -0.344 0.000 2.926 97 C HA 0.620 5.080 4.460 -0.000 0.000 0.272 97 C C 1.466 176.311 174.990 -0.242 0.000 1.249 97 C CA -0.486 58.142 59.018 -0.649 0.000 1.691 97 C CB -0.642 26.381 27.740 -1.195 0.000 1.983 97 C HN 0.051 nan 8.230 nan 0.000 0.615 98 G N 2.239 110.970 108.800 -0.114 0.000 2.684 98 G HA2 0.481 4.441 3.960 -0.000 0.000 0.255 98 G HA3 0.481 4.441 3.960 -0.000 0.000 0.255 98 G C -2.474 172.342 174.900 -0.140 0.000 1.219 98 G CA -0.472 44.556 45.100 -0.120 0.000 0.901 98 G HN 0.406 nan 8.290 nan 0.000 0.548 99 P HA 0.244 nan 4.420 nan 0.000 0.277 99 P C -0.628 176.444 177.300 -0.381 0.000 1.240 99 P CA -0.399 62.424 63.100 -0.462 0.000 0.798 99 P CB 1.381 32.570 31.700 -0.852 0.000 0.979 100 S N 1.877 117.437 115.700 -0.234 0.000 2.420 100 S HA 0.389 4.859 4.470 -0.000 0.000 0.313 100 S C -0.167 174.384 174.600 -0.082 0.000 1.079 100 S CA -0.299 57.922 58.200 0.035 0.000 1.104 100 S CB -0.688 62.809 63.200 0.497 0.000 0.969 100 S HN 0.230 nan 8.310 nan 0.000 0.471 101 F N 2.665 122.684 119.950 0.116 0.000 2.429 101 F HA 0.404 4.931 4.527 0.000 0.000 0.348 101 F C 0.726 176.606 175.800 0.134 0.000 1.109 101 F CA -0.484 57.576 58.000 0.100 0.000 1.232 101 F CB 0.829 39.892 39.000 0.106 0.000 1.157 101 F HN 0.311 nan 8.300 nan 0.000 0.564 102 V N 2.745 122.873 119.914 0.357 0.000 2.769 102 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 102 V C -0.574 175.790 176.094 0.449 0.000 1.061 102 V CA -1.060 61.436 62.300 0.326 0.000 0.931 102 V CB 1.766 33.746 31.823 0.263 0.000 1.010 102 V HN 0.704 nan 8.190 nan 0.000 0.433 103 I N 0.943 121.723 120.570 0.349 0.000 2.785 103 I HA 0.704 4.874 4.170 -0.000 0.000 0.302 103 I C 0.239 176.320 176.117 -0.060 0.000 1.069 103 I CA -0.755 60.696 61.300 0.252 0.000 1.045 103 I CB 2.537 40.607 38.000 0.116 0.000 1.236 103 I HN 0.671 nan 8.210 nan 0.000 0.429 104 N N 1.851 120.300 118.700 -0.418 0.000 2.230 104 N HA 0.086 4.826 4.740 -0.000 0.000 0.202 104 N C 0.580 175.868 175.510 -0.369 0.000 1.119 104 N CA 0.768 53.430 53.050 -0.647 0.000 0.851 104 N CB -0.165 37.599 38.487 -1.205 0.000 0.990 104 N HN 0.966 nan 8.380 nan 0.000 0.497 105 D N -0.223 120.045 120.400 -0.220 0.000 3.070 105 D HA -0.233 4.407 4.640 -0.000 0.000 0.220 105 D C 0.167 176.299 176.300 -0.279 0.000 1.176 105 D CA 1.545 55.420 54.000 -0.207 0.000 0.924 105 D CB -2.691 37.980 40.800 -0.215 0.000 1.124 105 D HN 0.646 nan 8.370 nan 0.000 0.411 106 H N -1.237 117.761 119.070 -0.119 0.000 2.472 106 H HA 0.509 5.065 4.556 -0.000 0.000 0.287 106 H C 2.155 177.456 175.328 -0.044 0.000 1.112 106 H CA 0.666 56.667 56.048 -0.078 0.000 1.021 106 H CB 0.532 30.239 29.762 -0.092 0.000 1.635 106 H HN 1.328 nan 8.280 nan 0.000 0.559 107 G N 1.169 110.006 108.800 0.061 0.000 2.159 107 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.256 107 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.256 107 G C 0.097 175.049 174.900 0.087 0.000 0.977 107 G CA 0.092 45.229 45.100 0.063 0.000 0.652 107 G HN 0.456 nan 8.290 nan 0.000 0.531 108 E N -0.723 119.541 120.200 0.107 0.000 2.235 108 E HA 0.790 5.140 4.350 -0.000 0.000 0.265 108 E C -0.436 176.370 176.600 0.343 0.000 0.940 108 E CA -0.885 55.651 56.400 0.228 0.000 0.819 108 E CB 2.634 32.538 29.700 0.340 0.000 1.206 108 E HN 0.340 nan 8.360 nan 0.000 0.409 109 I N 0.754 121.559 120.570 0.390 0.000 2.656 109 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 109 I C -1.311 174.978 176.117 0.286 0.000 1.144 109 I CA -0.473 61.053 61.300 0.377 0.000 1.038 109 I CB 1.411 39.526 38.000 0.191 0.000 1.244 109 I HN 0.478 nan 8.210 nan 0.000 0.420 110 R N 3.575 124.209 120.500 0.224 0.000 2.905 110 R HA 0.765 5.105 4.340 -0.000 0.000 0.260 110 R C -0.805 175.599 176.300 0.173 0.000 1.086 110 R CA -1.066 55.050 56.100 0.027 0.000 0.978 110 R CB 2.078 32.176 30.300 -0.337 0.000 1.215 110 R HN 0.735 nan 8.270 nan 0.000 0.480 111 G N 0.171 108.989 108.800 0.031 0.000 2.495 111 G HA2 0.510 4.470 3.960 -0.000 0.000 0.318 111 G HA3 0.510 4.470 3.960 -0.000 0.000 0.318 111 G C -1.204 173.610 174.900 -0.143 0.000 1.257 111 G CA -0.395 44.613 45.100 -0.153 0.000 0.962 111 G HN 0.245 nan 8.290 nan 0.000 0.483 112 V N 1.943 121.676 119.914 -0.301 0.000 2.394 112 V HA 0.319 4.439 4.120 -0.000 0.000 0.282 112 V C -0.691 174.978 176.094 -0.708 0.000 1.031 112 V CA -0.655 61.335 62.300 -0.516 0.000 0.881 112 V CB 1.610 32.912 31.823 -0.868 0.000 0.982 112 V HN 0.737 nan 8.190 nan 0.000 0.451 113 D N 4.943 125.021 120.400 -0.537 0.000 2.472 113 D HA 0.269 4.909 4.640 -0.000 0.000 0.234 113 D C -0.520 175.616 176.300 -0.272 0.000 1.088 113 D CA -0.436 53.351 54.000 -0.355 0.000 0.882 113 D CB 0.512 41.190 40.800 -0.203 0.000 1.037 113 D HN 0.408 nan 8.370 nan 0.000 0.520 114 W N 1.800 123.084 121.300 -0.027 0.000 2.215 114 W HA 0.283 4.943 4.660 0.000 0.000 0.342 114 W C 1.074 177.580 176.519 -0.021 0.000 1.237 114 W CA -0.777 56.551 57.345 -0.028 0.000 1.283 114 W CB 0.405 29.847 29.460 -0.029 0.000 1.131 114 W HN 0.089 nan 8.180 nan 0.000 0.606 115 T N 2.836 117.517 114.554 0.213 0.000 2.834 115 T HA 0.088 4.438 4.350 -0.000 0.000 0.298 115 T C -0.911 173.832 174.700 0.071 0.000 0.966 115 T CA -0.085 62.082 62.100 0.112 0.000 1.141 115 T CB -0.183 68.716 68.868 0.052 0.000 0.905 115 T HN 0.188 nan 8.240 nan 0.000 0.535 116 F N 4.519 124.421 119.950 -0.080 0.000 2.421 116 F HA 0.479 5.006 4.527 0.000 0.000 0.337 116 F C 0.647 176.178 175.800 -0.449 0.000 1.105 116 F CA -1.293 56.560 58.000 -0.245 0.000 1.049 116 F CB 1.053 39.949 39.000 -0.173 0.000 1.139 116 F HN 0.570 nan 8.300 nan 0.000 0.479 117 N N 3.974 121.708 118.700 -1.610 0.000 2.387 117 N HA 0.216 4.956 4.740 -0.000 0.000 0.259 117 N C -0.250 173.879 175.510 -2.302 0.000 1.369 117 N CA 0.210 52.010 53.050 -2.084 0.000 0.867 117 N CB 0.242 37.983 38.487 -1.242 0.000 1.341 117 N HN 0.911 nan 8.380 nan 0.000 0.495 118 A N 0.219 121.485 122.820 -2.590 0.000 2.791 118 A HA -0.160 4.160 4.320 -0.000 0.000 0.292 118 A C 0.432 177.497 177.584 -0.864 0.000 1.487 118 A CA 0.529 51.556 52.037 -1.682 0.000 0.760 118 A CB -2.658 15.749 19.000 -0.989 0.000 1.031 118 A HN 0.597 nan 8.150 nan 0.000 0.503 119 W N -3.240 117.554 121.300 -0.842 0.000 5.563 119 W HA -0.119 4.541 4.660 -0.000 0.000 0.396 119 W C 1.178 177.419 176.519 -0.464 0.000 1.519 119 W CA 0.977 58.005 57.345 -0.528 0.000 0.953 119 W CB -2.124 27.074 29.460 -0.437 0.000 2.691 119 W HN 2.444 nan 8.180 nan 0.000 1.444 120 G N -1.925 106.630 108.800 -0.408 0.000 2.273 120 G HA2 0.286 4.246 3.960 -0.000 0.000 0.162 120 G HA3 0.286 4.246 3.960 -0.000 0.000 0.162 120 G C 0.945 175.645 174.900 -0.334 0.000 1.006 120 G CA 0.540 45.463 45.100 -0.294 0.000 0.704 120 G HN 1.538 nan 8.290 nan 0.000 0.487 121 G N 0.252 108.693 108.800 -0.599 0.000 2.611 121 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.301 121 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.301 121 G C 1.077 175.937 174.900 -0.067 0.000 1.233 121 G CA 0.649 45.385 45.100 -0.607 0.000 0.993 121 G HN 1.152 nan 8.290 nan 0.000 0.553 122 L N 0.895 122.191 121.223 0.122 0.000 2.599 122 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 122 L C 2.760 179.634 176.870 0.006 0.000 1.141 122 L CA 0.208 55.105 54.840 0.095 0.000 0.877 122 L CB -0.158 41.947 42.059 0.076 0.000 1.009 122 L HN 0.352 nan 8.230 nan 0.000 0.447 123 V N 0.563 120.461 119.914 -0.027 0.000 2.300 123 V HA -0.131 3.989 4.120 -0.000 0.000 0.241 123 V C 1.030 177.098 176.094 -0.043 0.000 1.034 123 V CA 2.015 64.292 62.300 -0.039 0.000 1.021 123 V CB -0.133 31.659 31.823 -0.051 0.000 0.662 123 V HN 0.645 nan 8.190 nan 0.000 0.458 124 D N -1.285 119.075 120.400 -0.066 0.000 2.740 124 D HA 0.198 4.838 4.640 -0.000 0.000 0.305 124 D C 0.518 176.768 176.300 -0.082 0.000 1.583 124 D CA 0.235 54.198 54.000 -0.062 0.000 0.790 124 D CB -0.568 40.196 40.800 -0.060 0.000 1.187 124 D HN 0.266 nan 8.370 nan 0.000 0.447 125 G N 0.214 108.951 108.800 -0.105 0.000 2.667 125 G HA2 0.308 4.268 3.960 -0.000 0.000 0.250 125 G HA3 0.308 4.268 3.960 -0.000 0.000 0.250 125 G C 0.491 175.350 174.900 -0.068 0.000 1.212 125 G CA -0.461 44.550 45.100 -0.148 0.000 0.874 125 G HN 0.126 nan 8.290 nan 0.000 0.561 126 L N -0.392 120.769 121.223 -0.103 0.000 2.554 126 L HA 0.319 4.659 4.340 -0.000 0.000 0.225 126 L C 0.141 177.077 176.870 0.110 0.000 1.104 126 L CA 0.234 55.046 54.840 -0.047 0.000 0.866 126 L CB -1.625 40.380 42.059 -0.090 0.000 1.047 126 L HN 0.676 nan 8.230 nan 0.000 0.468 127 Y N -4.238 116.222 120.300 0.267 0.000 2.741 127 Y HA 0.559 5.109 4.550 -0.000 0.000 0.339 127 Y C -1.458 174.729 175.900 0.478 0.000 1.226 127 Y CA -2.629 55.647 58.100 0.293 0.000 1.072 127 Y CB 0.842 39.456 38.460 0.258 0.000 1.331 127 Y HN -0.180 nan 8.280 nan 0.000 0.453 128 F N 3.433 123.662 119.950 0.464 0.000 2.574 128 F HA 0.870 5.397 4.527 0.000 0.000 0.313 128 F C -2.894 173.005 175.800 0.164 0.000 1.130 128 F CA -1.853 56.329 58.000 0.304 0.000 0.936 128 F CB 1.920 41.010 39.000 0.151 0.000 1.219 128 F HN 0.606 nan 8.300 nan 0.000 0.445 129 P HA 0.451 nan 4.420 nan 0.000 0.304 129 P C -1.213 176.036 177.300 -0.083 0.000 1.310 129 P CA -0.279 62.225 63.100 -0.993 0.000 0.796 129 P CB 1.325 32.272 31.700 -1.255 0.000 1.297 130 W N -1.206 120.092 121.300 -0.002 0.000 2.252 130 W HA 0.245 4.905 4.660 -0.000 0.000 0.338 130 W C 0.684 177.289 176.519 0.144 0.000 0.914 130 W CA -0.141 57.337 57.345 0.221 0.000 1.754 130 W CB -0.979 28.598 29.460 0.195 0.000 1.135 130 W HN 0.168 nan 8.180 nan 0.000 0.531 131 D N 0.729 121.056 120.400 -0.121 0.000 2.144 131 D HA -0.255 4.385 4.640 -0.000 0.000 0.199 131 D C 1.432 177.767 176.300 0.058 0.000 0.984 131 D CA 1.540 55.506 54.000 -0.057 0.000 0.834 131 D CB -0.382 40.312 40.800 -0.176 0.000 0.955 131 D HN 0.231 nan 8.370 nan 0.000 0.465 132 Q N 0.610 120.450 119.800 0.065 0.000 2.096 132 Q HA -0.069 4.271 4.340 -0.000 0.000 0.197 132 Q C 1.819 177.880 176.000 0.102 0.000 0.964 132 Q CA 0.912 56.755 55.803 0.067 0.000 0.838 132 Q CB -0.411 28.356 28.738 0.048 0.000 0.906 132 Q HN 0.387 nan 8.270 nan 0.000 0.444 133 D N 1.344 121.854 120.400 0.183 0.000 2.149 133 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 133 D C 1.390 177.727 176.300 0.060 0.000 1.001 133 D CA 1.487 55.563 54.000 0.126 0.000 0.849 133 D CB -0.239 40.719 40.800 0.263 0.000 0.939 133 D HN 0.246 nan 8.370 nan 0.000 0.449 134 D N -0.518 120.021 120.400 0.232 0.000 2.348 134 D HA -0.032 4.608 4.640 -0.000 0.000 0.216 134 D C 1.789 178.137 176.300 0.080 0.000 0.970 134 D CA 0.263 54.392 54.000 0.215 0.000 0.889 134 D CB -0.001 41.002 40.800 0.338 0.000 0.912 134 D HN 0.188 nan 8.370 nan 0.000 0.524 135 L N -0.875 120.374 121.223 0.043 0.000 2.529 135 L HA 0.075 4.415 4.340 -0.000 0.000 0.223 135 L C 2.084 178.924 176.870 -0.049 0.000 1.113 135 L CA -0.095 54.742 54.840 -0.005 0.000 0.861 135 L CB 0.313 42.372 42.059 -0.001 0.000 1.012 135 L HN -0.060 nan 8.230 nan 0.000 0.461 136 V N 0.622 120.499 119.914 -0.061 0.000 2.343 136 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 136 V C 2.799 178.791 176.094 -0.170 0.000 1.051 136 V CA 1.975 64.214 62.300 -0.103 0.000 1.036 136 V CB -0.705 31.062 31.823 -0.094 0.000 0.654 136 V HN 0.509 nan 8.190 nan 0.000 0.451 137 A N -0.696 122.023 122.820 -0.169 0.000 1.883 137 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 137 A C 2.266 179.710 177.584 -0.232 0.000 1.186 137 A CA 2.274 54.172 52.037 -0.232 0.000 0.624 137 A CB -0.603 18.275 19.000 -0.203 0.000 0.822 137 A HN 0.603 nan 8.150 nan 0.000 0.444 138 Q N -0.316 119.387 119.800 -0.162 0.000 2.084 138 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 138 Q C 1.980 177.895 176.000 -0.142 0.000 0.978 138 Q CA 1.890 57.609 55.803 -0.140 0.000 0.844 138 Q CB -0.125 28.556 28.738 -0.096 0.000 0.898 138 Q HN 0.687 nan 8.270 nan 0.000 0.426 139 K N 0.075 120.390 120.400 -0.142 0.000 2.057 139 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 139 K C 2.050 178.517 176.600 -0.223 0.000 1.049 139 K CA 1.351 57.553 56.287 -0.141 0.000 0.931 139 K CB -0.064 32.371 32.500 -0.109 0.000 0.714 139 K HN 0.283 nan 8.250 nan 0.000 0.440 140 I N 0.715 121.080 120.570 -0.342 0.000 2.252 140 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 140 I C 2.334 178.259 176.117 -0.321 0.000 1.102 140 I CA 0.858 61.814 61.300 -0.573 0.000 1.385 140 I CB -0.318 37.157 38.000 -0.875 0.000 1.064 140 I HN 0.260 nan 8.210 nan 0.000 0.414 141 C N 0.493 119.668 119.300 -0.208 0.000 2.429 141 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 141 C C 2.728 177.711 174.990 -0.011 0.000 1.262 141 C CA 0.574 59.558 59.018 -0.056 0.000 1.733 141 C CB -0.939 26.741 27.740 -0.100 0.000 2.010 141 C HN 0.480 nan 8.230 nan 0.000 0.483 142 E N 0.838 121.006 120.200 -0.053 0.000 2.049 142 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 142 E C 1.949 178.595 176.600 0.077 0.000 1.007 142 E CA 1.340 57.731 56.400 -0.014 0.000 0.809 142 E CB -0.498 29.177 29.700 -0.043 0.000 0.749 142 E HN 0.659 nan 8.360 nan 0.000 0.450 143 I N 1.396 121.982 120.570 0.027 0.000 2.194 143 I HA -0.251 3.919 4.170 -0.000 0.000 0.246 143 I C 1.956 178.195 176.117 0.204 0.000 1.093 143 I CA 1.232 62.590 61.300 0.097 0.000 1.355 143 I CB -0.158 37.792 38.000 -0.085 0.000 1.046 143 I HN -0.015 nan 8.210 nan 0.000 0.413 144 E N -0.406 119.892 120.200 0.164 0.000 2.502 144 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 144 E C -0.136 176.594 176.600 0.217 0.000 1.062 144 E CA 0.183 56.686 56.400 0.171 0.000 0.867 144 E CB -0.259 29.545 29.700 0.173 0.000 0.888 144 E HN 0.439 nan 8.360 nan 0.000 0.510 145 H N -1.419 117.681 119.070 0.049 0.000 2.791 145 H HA -0.153 4.403 4.556 -0.000 0.000 0.302 145 H C -0.116 175.231 175.328 0.031 0.000 1.198 145 H CA 0.647 56.715 56.048 0.033 0.000 1.145 145 H CB -2.399 27.386 29.762 0.038 0.000 1.385 145 H HN 0.072 nan 8.280 nan 0.000 0.409 146 V N -0.412 119.586 119.914 0.140 0.000 2.398 146 V HA 0.459 4.579 4.120 -0.000 0.000 0.286 146 V C 0.265 176.361 176.094 0.005 0.000 1.026 146 V CA -0.900 61.461 62.300 0.100 0.000 0.868 146 V CB 1.776 33.715 31.823 0.194 0.000 0.982 146 V HN 0.168 nan 8.190 nan 0.000 0.443 147 D N 4.469 124.837 120.400 -0.052 0.000 2.372 147 D HA 0.474 5.114 4.640 -0.000 0.000 0.243 147 D C 0.226 176.391 176.300 -0.224 0.000 1.121 147 D CA 0.494 54.400 54.000 -0.157 0.000 0.898 147 D CB 1.623 42.300 40.800 -0.204 0.000 1.202 147 D HN 0.986 nan 8.370 nan 0.000 0.428 148 S N 0.421 115.953 115.700 -0.279 0.000 2.570 148 S HA 0.569 5.039 4.470 -0.000 0.000 0.286 148 S C -1.201 173.188 174.600 -0.352 0.000 1.099 148 S CA -0.949 57.092 58.200 -0.265 0.000 0.913 148 S CB 0.893 63.983 63.200 -0.185 0.000 1.085 148 S HN 0.280 nan 8.310 nan 0.000 0.480 149 Y N 0.648 120.853 120.300 -0.158 0.000 2.335 149 Y HA 0.650 5.200 4.550 -0.000 0.000 0.339 149 Y C 0.489 176.305 175.900 -0.141 0.000 0.987 149 Y CA -0.694 57.354 58.100 -0.086 0.000 1.140 149 Y CB 1.185 39.660 38.460 0.025 0.000 1.173 149 Y HN 0.738 nan 8.280 nan 0.000 0.486 150 R N 1.631 122.147 120.500 0.027 0.000 2.312 150 R HA 0.349 4.689 4.340 -0.000 0.000 0.311 150 R C -0.469 175.823 176.300 -0.014 0.000 1.004 150 R CA -0.518 55.565 56.100 -0.028 0.000 0.902 150 R CB 0.564 30.853 30.300 -0.019 0.000 1.073 150 R HN 0.697 nan 8.270 nan 0.000 0.457 151 T N 1.446 115.962 114.554 -0.063 0.000 3.151 151 T HA 0.241 4.591 4.350 -0.000 0.000 0.332 151 T C -0.483 174.270 174.700 0.089 0.000 1.245 151 T CA -0.950 61.119 62.100 -0.051 0.000 1.019 151 T CB -0.131 68.715 68.868 -0.036 0.000 1.109 151 T HN 0.454 nan 8.240 nan 0.000 0.621 152 D N 3.671 124.115 120.400 0.073 0.000 2.493 152 D HA 0.064 4.704 4.640 -0.000 0.000 0.240 152 D C 0.737 177.108 176.300 0.118 0.000 1.142 152 D CA 0.779 54.830 54.000 0.085 0.000 0.872 152 D CB 0.321 41.162 40.800 0.069 0.000 1.173 152 D HN 0.599 nan 8.370 nan 0.000 0.467 153 D N 0.721 121.188 120.400 0.113 0.000 3.059 153 D HA -0.277 4.363 4.640 -0.000 0.000 0.220 153 D C -0.202 176.209 176.300 0.185 0.000 1.169 153 D CA 0.733 54.804 54.000 0.118 0.000 0.902 153 D CB -1.577 39.282 40.800 0.099 0.000 1.116 153 D HN 0.421 nan 8.370 nan 0.000 0.417 154 F N 0.904 120.866 119.950 0.019 0.000 2.496 154 F HA 0.424 4.951 4.527 0.000 0.000 0.341 154 F C -0.398 175.420 175.800 0.029 0.000 1.134 154 F CA -0.830 57.179 58.000 0.015 0.000 0.968 154 F CB 1.170 40.175 39.000 0.008 0.000 1.205 154 F HN -0.280 nan 8.300 nan 0.000 0.436 155 V N 7.217 126.804 119.914 -0.545 0.000 2.465 155 V HA 0.525 4.645 4.120 -0.000 0.000 0.279 155 V C -0.562 175.052 176.094 -0.800 0.000 1.045 155 V CA -0.343 61.655 62.300 -0.503 0.000 0.938 155 V CB 1.197 32.793 31.823 -0.380 0.000 0.986 155 V HN 0.685 nan 8.190 nan 0.000 0.467 156 L N 4.778 125.673 121.223 -0.546 0.000 2.582 156 L HA 0.667 5.007 4.340 -0.000 0.000 0.257 156 L C -1.191 175.453 176.870 -0.376 0.000 0.974 156 L CA -0.255 54.208 54.840 -0.629 0.000 0.851 156 L CB 2.697 44.087 42.059 -1.115 0.000 1.424 156 L HN 0.677 nan 8.230 nan 0.000 0.412 157 E N 0.742 120.766 120.200 -0.294 0.000 2.266 157 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 157 E C 0.588 177.029 176.600 -0.265 0.000 0.879 157 E CA -0.033 56.303 56.400 -0.108 0.000 0.762 157 E CB 1.742 31.514 29.700 0.121 0.000 1.199 157 E HN 0.687 nan 8.360 nan 0.000 0.422 158 G N 1.702 110.400 108.800 -0.169 0.000 2.462 158 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 158 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 158 G C 1.185 175.615 174.900 -0.783 0.000 1.121 158 G CA 0.676 45.489 45.100 -0.478 0.000 0.758 158 G HN 0.617 nan 8.290 nan 0.000 0.559 159 G N 0.411 108.919 108.800 -0.486 0.000 2.744 159 G HA2 0.040 4.000 3.960 -0.000 0.000 0.211 159 G HA3 0.040 4.000 3.960 -0.000 0.000 0.211 159 G C 1.856 176.164 174.900 -0.986 0.000 1.143 159 G CA 1.240 46.026 45.100 -0.524 0.000 0.788 159 G HN 0.642 nan 8.290 nan 0.000 0.534 160 S N -0.291 114.768 115.700 -1.069 0.000 2.558 160 S HA 0.412 4.882 4.470 -0.000 0.000 0.217 160 S C 0.360 174.774 174.600 -0.309 0.000 0.975 160 S CA -0.479 57.294 58.200 -0.713 0.000 0.912 160 S CB -0.324 62.644 63.200 -0.386 0.000 0.776 160 S HN 0.487 nan 8.310 nan 0.000 0.526 161 F N -0.925 118.811 119.950 -0.357 0.000 2.645 161 F HA 0.773 5.300 4.527 -0.000 0.000 0.310 161 F C -0.919 174.749 175.800 -0.219 0.000 1.102 161 F CA -1.357 56.504 58.000 -0.232 0.000 0.952 161 F CB 0.754 39.638 39.000 -0.193 0.000 1.326 161 F HN -0.104 nan 8.300 nan 0.000 0.456 162 H N 1.026 120.269 119.070 0.289 0.000 2.806 162 H HA 0.694 5.250 4.556 -0.000 0.000 0.367 162 H C -1.100 174.537 175.328 0.516 0.000 1.136 162 H CA -0.739 55.505 56.048 0.327 0.000 1.178 162 H CB 2.361 32.253 29.762 0.217 0.000 1.718 162 H HN 0.821 nan 8.280 nan 0.000 0.540 163 V N 0.316 120.574 119.914 0.573 0.000 2.815 163 V HA 0.356 4.476 4.120 -0.000 0.000 0.314 163 V C 0.630 176.656 176.094 -0.114 0.000 1.064 163 V CA -0.829 61.613 62.300 0.236 0.000 0.952 163 V CB 2.149 34.081 31.823 0.182 0.000 1.020 163 V HN 0.802 nan 8.190 nan 0.000 0.439 164 D N 0.691 120.739 120.400 -0.587 0.000 2.349 164 D HA 0.209 4.849 4.640 -0.000 0.000 0.214 164 D C 1.410 177.649 176.300 -0.102 0.000 1.063 164 D CA 0.653 54.322 54.000 -0.552 0.000 0.847 164 D CB 0.357 40.529 40.800 -1.048 0.000 0.933 164 D HN 1.655 nan 8.370 nan 0.000 0.513 165 G N 0.510 109.240 108.800 -0.117 0.000 2.168 165 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 165 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 165 G C 0.534 175.416 174.900 -0.031 0.000 0.977 165 G CA 0.435 45.502 45.100 -0.054 0.000 0.659 165 G HN 0.483 nan 8.290 nan 0.000 0.533 166 Q N -1.210 118.556 119.800 -0.057 0.000 2.106 166 Q HA 0.459 4.799 4.340 -0.000 0.000 0.273 166 Q C 1.278 177.249 176.000 -0.048 0.000 0.853 166 Q CA 0.295 56.075 55.803 -0.039 0.000 1.118 166 Q CB 1.013 29.736 28.738 -0.025 0.000 1.240 166 Q HN 1.388 nan 8.270 nan 0.000 0.445 167 G N 0.485 109.254 108.800 -0.052 0.000 2.179 167 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 167 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 167 G C 0.201 175.081 174.900 -0.034 0.000 0.990 167 G CA 0.092 45.170 45.100 -0.036 0.000 0.646 167 G HN 0.276 nan 8.290 nan 0.000 0.517 168 T N -0.126 114.391 114.554 -0.061 0.000 2.885 168 T HA 0.699 5.049 4.350 -0.000 0.000 0.285 168 T C -0.631 174.079 174.700 0.016 0.000 1.019 168 T CA -0.148 61.942 62.100 -0.015 0.000 1.010 168 T CB 2.885 71.765 68.868 0.020 0.000 1.022 168 T HN 0.977 nan 8.240 nan 0.000 0.466 169 V N 3.586 123.545 119.914 0.075 0.000 2.735 169 V HA 0.695 4.815 4.120 -0.000 0.000 0.310 169 V C -1.282 174.899 176.094 0.146 0.000 1.061 169 V CA -1.017 61.364 62.300 0.135 0.000 0.913 169 V CB 1.820 33.632 31.823 -0.019 0.000 1.005 169 V HN 0.823 nan 8.190 nan 0.000 0.428 170 L N 5.487 126.862 121.223 0.253 0.000 2.341 170 L HA 0.809 5.149 4.340 -0.000 0.000 0.278 170 L C -0.280 176.596 176.870 0.010 0.000 1.005 170 L CA 0.186 55.079 54.840 0.089 0.000 0.818 170 L CB 1.956 44.049 42.059 0.057 0.000 1.259 170 L HN 0.918 nan 8.230 nan 0.000 0.418 171 T N 1.235 115.715 114.554 -0.124 0.000 2.645 171 T HA 0.564 4.914 4.350 -0.000 0.000 0.300 171 T C -1.098 173.592 174.700 -0.016 0.000 1.210 171 T CA -0.046 61.981 62.100 -0.122 0.000 1.034 171 T CB 1.899 70.596 68.868 -0.285 0.000 1.537 171 T HN 0.715 nan 8.240 nan 0.000 0.492 172 T N -0.381 114.228 114.554 0.092 0.000 2.861 172 T HA 0.542 4.892 4.350 -0.000 0.000 0.287 172 T C 0.685 175.634 174.700 0.415 0.000 1.003 172 T CA -0.653 61.582 62.100 0.226 0.000 0.977 172 T CB 1.767 70.712 68.868 0.129 0.000 0.996 172 T HN 0.635 nan 8.240 nan 0.000 0.448 173 E N 1.346 121.808 120.200 0.436 0.000 2.110 173 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 173 E C 1.900 178.577 176.600 0.129 0.000 0.988 173 E CA 1.000 57.541 56.400 0.235 0.000 0.804 173 E CB -0.143 29.567 29.700 0.018 0.000 0.745 173 E HN 0.756 nan 8.360 nan 0.000 0.458 174 M N 0.511 120.174 119.600 0.106 0.000 2.106 174 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 174 M C 2.382 178.720 176.300 0.062 0.000 1.068 174 M CA 1.534 56.869 55.300 0.057 0.000 1.100 174 M CB -0.177 32.448 32.600 0.041 0.000 1.351 174 M HN 0.320 nan 8.290 nan 0.000 0.404 175 C N 0.358 119.721 119.300 0.106 0.000 2.631 175 C HA 0.008 4.468 4.460 -0.000 0.000 0.283 175 C C 2.536 177.584 174.990 0.096 0.000 1.295 175 C CA 0.401 59.481 59.018 0.103 0.000 1.697 175 C CB -1.033 26.804 27.740 0.162 0.000 2.128 175 C HN 0.645 nan 8.230 nan 0.000 0.503 176 L N 0.895 122.221 121.223 0.171 0.000 2.201 176 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 176 L C 1.923 178.872 176.870 0.131 0.000 1.105 176 L CA 1.190 56.137 54.840 0.178 0.000 0.775 176 L CB -0.543 41.730 42.059 0.358 0.000 0.913 176 L HN 0.444 nan 8.230 nan 0.000 0.440 177 L N -0.476 120.801 121.223 0.090 0.000 2.628 177 L HA 0.105 4.445 4.340 -0.000 0.000 0.229 177 L C 1.229 178.094 176.870 -0.008 0.000 1.137 177 L CA -0.342 54.503 54.840 0.008 0.000 0.909 177 L CB -0.168 41.844 42.059 -0.079 0.000 1.137 177 L HN 0.203 nan 8.230 nan 0.000 0.470 178 S N -1.261 114.438 115.700 -0.001 0.000 2.592 178 S HA 0.013 4.483 4.470 -0.000 0.000 0.271 178 S C 1.054 175.634 174.600 -0.033 0.000 1.326 178 S CA -0.523 57.664 58.200 -0.021 0.000 1.024 178 S CB 1.642 64.827 63.200 -0.024 0.000 0.921 178 S HN 0.304 nan 8.310 nan 0.000 0.527 179 E N 2.044 122.223 120.200 -0.036 0.000 2.160 179 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 179 E C 1.672 178.241 176.600 -0.051 0.000 0.991 179 E CA 1.154 57.532 56.400 -0.037 0.000 0.810 179 E CB -0.766 28.914 29.700 -0.033 0.000 0.742 179 E HN 0.935 nan 8.360 nan 0.000 0.466 180 G N -0.155 108.602 108.800 -0.071 0.000 2.985 180 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.209 180 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.209 180 G C 1.278 176.090 174.900 -0.147 0.000 1.165 180 G CA -0.271 44.765 45.100 -0.106 0.000 0.776 180 G HN -0.026 nan 8.290 nan 0.000 0.541 181 R N 0.641 121.068 120.500 -0.122 0.000 1.864 181 R HA 0.172 4.512 4.340 -0.000 0.000 0.174 181 R C -0.002 176.224 176.300 -0.124 0.000 1.773 181 R CA 0.398 56.403 56.100 -0.159 0.000 1.381 181 R CB -0.870 29.345 30.300 -0.141 0.000 1.066 181 R HN 0.186 nan 8.270 nan 0.000 0.482 182 N N 1.793 120.454 118.700 -0.064 0.000 2.813 182 N HA 0.198 4.938 4.740 -0.000 0.000 0.282 182 N C -2.193 173.332 175.510 0.025 0.000 1.748 182 N CA -0.782 52.269 53.050 0.001 0.000 0.860 182 N CB 1.657 40.190 38.487 0.076 0.000 1.204 182 N HN 0.102 nan 8.380 nan 0.000 0.490 183 P HA -0.214 nan 4.420 nan 0.000 0.225 183 P C 1.002 178.310 177.300 0.014 0.000 1.148 183 P CA 1.164 64.266 63.100 0.003 0.000 0.779 183 P CB 0.384 32.078 31.700 -0.009 0.000 0.780 184 Q N -0.203 119.613 119.800 0.027 0.000 2.432 184 Q HA 0.033 4.373 4.340 -0.000 0.000 0.205 184 Q C 0.579 176.603 176.000 0.039 0.000 0.945 184 Q CA 0.452 56.273 55.803 0.030 0.000 0.924 184 Q CB -0.526 28.233 28.738 0.035 0.000 1.016 184 Q HN 0.309 nan 8.270 nan 0.000 0.503 185 L N 2.791 124.048 121.223 0.056 0.000 2.325 185 L HA 0.310 4.650 4.340 -0.000 0.000 0.279 185 L C 0.539 177.437 176.870 0.047 0.000 1.054 185 L CA -0.730 54.151 54.840 0.068 0.000 0.804 185 L CB 1.600 43.733 42.059 0.123 0.000 1.200 185 L HN 0.088 nan 8.230 nan 0.000 0.436 186 S N 1.587 117.308 115.700 0.034 0.000 2.624 186 S HA 0.104 4.574 4.470 -0.000 0.000 0.263 186 S C 0.929 175.544 174.600 0.025 0.000 1.287 186 S CA -0.529 57.678 58.200 0.013 0.000 0.990 186 S CB 1.322 64.526 63.200 0.006 0.000 0.950 186 S HN 0.746 nan 8.310 nan 0.000 0.561 187 K N 0.505 120.890 120.400 -0.026 0.000 2.063 187 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 187 K C 1.663 178.314 176.600 0.084 0.000 1.048 187 K CA 1.880 58.143 56.287 -0.039 0.000 0.928 187 K CB -0.312 32.046 32.500 -0.237 0.000 0.713 187 K HN 0.703 nan 8.250 nan 0.000 0.442 188 E N 0.284 120.513 120.200 0.049 0.000 2.106 188 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 188 E C 1.798 178.442 176.600 0.073 0.000 0.984 188 E CA 1.305 57.750 56.400 0.074 0.000 0.806 188 E CB -0.231 29.493 29.700 0.040 0.000 0.750 188 E HN 0.440 nan 8.360 nan 0.000 0.458 189 A N 0.513 123.366 122.820 0.055 0.000 1.933 189 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 189 A C 2.221 179.824 177.584 0.032 0.000 1.175 189 A CA 1.149 53.207 52.037 0.035 0.000 0.628 189 A CB -0.608 18.412 19.000 0.033 0.000 0.814 189 A HN 0.202 nan 8.150 nan 0.000 0.444 190 I N -0.568 120.070 120.570 0.113 0.000 2.252 190 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 190 I C 2.474 178.674 176.117 0.138 0.000 1.102 190 I CA 1.501 62.908 61.300 0.179 0.000 1.385 190 I CB -0.433 37.768 38.000 0.336 0.000 1.064 190 I HN 0.407 nan 8.210 nan 0.000 0.414 191 E N 0.285 120.606 120.200 0.202 0.000 2.097 191 E HA -0.335 4.015 4.350 -0.000 0.000 0.196 191 E C 2.106 178.730 176.600 0.041 0.000 1.000 191 E CA 1.492 57.979 56.400 0.145 0.000 0.804 191 E CB -0.112 29.713 29.700 0.209 0.000 0.740 191 E HN 0.349 nan 8.360 nan 0.000 0.454 192 Q N 1.184 120.998 119.800 0.024 0.000 2.096 192 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 192 Q C 1.804 177.780 176.000 -0.040 0.000 0.982 192 Q CA 1.625 57.421 55.803 -0.011 0.000 0.850 192 Q CB 0.119 28.849 28.738 -0.013 0.000 0.901 192 Q HN 0.014 nan 8.270 nan 0.000 0.422 193 K N 0.015 120.345 120.400 -0.117 0.000 2.057 193 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 193 K C 2.179 178.784 176.600 0.009 0.000 1.049 193 K CA 1.283 57.465 56.287 -0.175 0.000 0.931 193 K CB -0.474 31.496 32.500 -0.883 0.000 0.714 193 K HN 0.322 nan 8.250 nan 0.000 0.440 194 L N 0.535 121.731 121.223 -0.044 0.000 2.017 194 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 194 L C 2.827 179.681 176.870 -0.026 0.000 1.073 194 L CA 1.092 55.900 54.840 -0.054 0.000 0.745 194 L CB -0.671 41.303 42.059 -0.142 0.000 0.894 194 L HN 0.185 nan 8.230 nan 0.000 0.432 195 C N -0.087 119.195 119.300 -0.031 0.000 2.413 195 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 195 C C 2.475 177.430 174.990 -0.060 0.000 1.236 195 C CA 0.722 59.717 59.018 -0.039 0.000 1.735 195 C CB -0.801 26.921 27.740 -0.031 0.000 2.031 195 C HN 0.554 nan 8.230 nan 0.000 0.474 196 D N -0.750 119.605 120.400 -0.075 0.000 2.144 196 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 196 D C 1.693 177.764 176.300 -0.382 0.000 0.978 196 D CA 1.544 55.407 54.000 -0.229 0.000 0.833 196 D CB -0.299 40.329 40.800 -0.287 0.000 0.961 196 D HN 0.599 nan 8.370 nan 0.000 0.470 197 Y N -0.155 120.087 120.300 -0.096 0.000 2.476 197 Y HA 0.215 4.765 4.550 0.000 0.000 0.283 197 Y C 2.175 178.037 175.900 -0.063 0.000 1.109 197 Y CA 0.227 58.254 58.100 -0.121 0.000 1.246 197 Y CB 0.209 38.663 38.460 -0.010 0.000 1.068 197 Y HN -0.121 nan 8.280 nan 0.000 0.552 198 L N -0.695 120.584 121.223 0.094 0.000 2.477 198 L HA 0.077 4.417 4.340 -0.000 0.000 0.220 198 L C 0.208 177.081 176.870 0.004 0.000 1.106 198 L CA 0.333 55.199 54.840 0.043 0.000 0.851 198 L CB -0.255 41.774 42.059 -0.049 0.000 0.994 198 L HN 0.261 nan 8.230 nan 0.000 0.462 199 N N 0.645 119.324 118.700 -0.035 0.000 2.699 199 N HA -0.146 4.594 4.740 -0.000 0.000 0.257 199 N C -0.636 174.855 175.510 -0.032 0.000 1.077 199 N CA 0.167 53.192 53.050 -0.041 0.000 0.702 199 N CB -0.323 38.151 38.487 -0.022 0.000 0.886 199 N HN 0.200 nan 8.380 nan 0.000 0.549 200 V N -2.127 117.764 119.914 -0.038 0.000 3.126 200 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 200 V C 0.568 176.645 176.094 -0.028 0.000 1.138 200 V CA -0.493 61.788 62.300 -0.033 0.000 1.034 200 V CB 2.105 33.905 31.823 -0.038 0.000 1.075 200 V HN 0.170 nan 8.190 nan 0.000 0.442 201 E N 0.188 120.377 120.200 -0.019 0.000 2.508 201 E HA 0.257 4.607 4.350 -0.000 0.000 0.217 201 E C -0.089 176.513 176.600 0.003 0.000 0.896 201 E CA 0.003 56.398 56.400 -0.008 0.000 1.118 201 E CB 1.446 31.143 29.700 -0.005 0.000 1.133 201 E HN 0.718 nan 8.360 nan 0.000 0.526 202 K N 1.422 121.824 120.400 0.003 0.000 2.471 202 K HA 0.404 4.724 4.320 -0.000 0.000 0.252 202 K C -1.309 175.288 176.600 -0.006 0.000 0.938 202 K CA -0.434 55.863 56.287 0.016 0.000 0.796 202 K CB 2.298 34.817 32.500 0.032 0.000 1.161 202 K HN -0.228 nan 8.250 nan 0.000 0.425 203 V N 5.975 125.875 119.914 -0.023 0.000 2.347 203 V HA 0.337 4.457 4.120 -0.000 0.000 0.280 203 V C -0.269 175.729 176.094 -0.161 0.000 1.021 203 V CA -0.819 61.385 62.300 -0.159 0.000 0.847 203 V CB 1.163 32.835 31.823 -0.251 0.000 0.990 203 V HN 0.673 nan 8.190 nan 0.000 0.444 204 L N 4.838 125.967 121.223 -0.157 0.000 2.257 204 L HA 0.408 4.748 4.340 -0.000 0.000 0.290 204 L C -0.828 175.962 176.870 -0.133 0.000 1.044 204 L CA -0.134 54.675 54.840 -0.052 0.000 0.810 204 L CB 0.844 42.922 42.059 0.032 0.000 1.193 204 L HN 0.626 nan 8.230 nan 0.000 0.425 205 W N 5.147 126.472 121.300 0.042 0.000 2.308 205 W HA 0.467 5.127 4.660 0.000 0.000 0.311 205 W C -0.096 176.436 176.519 0.021 0.000 1.088 205 W CA -0.373 56.992 57.345 0.033 0.000 1.309 205 W CB 0.735 30.211 29.460 0.026 0.000 1.229 205 W HN 0.307 nan 8.180 nan 0.000 0.427 206 L N 2.810 124.167 121.223 0.222 0.000 2.466 206 L HA 0.494 4.834 4.340 -0.000 0.000 0.257 206 L C 1.321 178.306 176.870 0.190 0.000 1.189 206 L CA -0.072 54.861 54.840 0.156 0.000 0.813 206 L CB 0.264 42.374 42.059 0.085 0.000 1.118 206 L HN 0.658 nan 8.230 nan 0.000 0.471 207 G N -0.223 108.647 108.800 0.117 0.000 2.568 207 G HA2 0.012 3.972 3.960 -0.000 0.000 0.212 207 G HA3 0.012 3.972 3.960 -0.000 0.000 0.212 207 G C -0.242 174.703 174.900 0.076 0.000 1.821 207 G CA -0.139 45.014 45.100 0.089 0.000 0.904 207 G HN 0.560 nan 8.290 nan 0.000 0.566 208 D N 0.740 121.168 120.400 0.047 0.000 2.345 208 D HA 0.483 5.123 4.640 -0.000 0.000 0.247 208 D C 0.750 177.064 176.300 0.024 0.000 1.108 208 D CA 0.192 54.212 54.000 0.032 0.000 0.894 208 D CB 1.410 42.222 40.800 0.021 0.000 1.203 208 D HN 0.285 nan 8.370 nan 0.000 0.430 209 G N 0.015 108.822 108.800 0.011 0.000 2.532 209 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 209 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 209 G C 0.910 175.779 174.900 -0.052 0.000 1.349 209 G CA -0.618 44.470 45.100 -0.021 0.000 1.038 209 G HN 0.568 nan 8.290 nan 0.000 0.518 210 I N -2.772 117.725 120.570 -0.122 0.000 4.018 210 I HA 0.317 4.487 4.170 -0.000 0.000 0.337 210 I C -0.238 175.814 176.117 -0.109 0.000 1.327 210 I CA -0.101 61.102 61.300 -0.160 0.000 1.100 210 I CB 0.597 38.298 38.000 -0.498 0.000 1.025 210 I HN 0.218 nan 8.210 nan 0.000 0.396 211 D N 1.349 121.680 120.400 -0.116 0.000 2.607 211 D HA 0.232 4.872 4.640 -0.000 0.000 0.318 211 D C -1.926 174.308 176.300 -0.111 0.000 1.212 211 D CA -1.832 52.099 54.000 -0.115 0.000 0.861 211 D CB 0.642 41.334 40.800 -0.180 0.000 1.064 211 D HN 0.119 nan 8.370 nan 0.000 0.500 212 P HA -0.149 nan 4.420 nan 0.000 0.218 212 P C 0.956 178.206 177.300 -0.083 0.000 1.148 212 P CA 1.124 64.187 63.100 -0.061 0.000 0.822 212 P CB 0.538 32.219 31.700 -0.031 0.000 0.784 213 E N -0.332 119.816 120.200 -0.088 0.000 2.299 213 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 213 E C 1.761 178.270 176.600 -0.153 0.000 0.998 213 E CA 0.649 56.992 56.400 -0.096 0.000 0.851 213 E CB 0.094 29.751 29.700 -0.071 0.000 0.795 213 E HN 0.340 nan 8.360 nan 0.000 0.492 214 E N 0.928 120.999 120.200 -0.215 0.000 2.046 214 E HA -0.040 4.310 4.350 -0.000 0.000 0.199 214 E C 1.797 178.118 176.600 -0.465 0.000 0.948 214 E CA 1.604 57.793 56.400 -0.351 0.000 0.876 214 E CB -0.139 29.329 29.700 -0.385 0.000 0.901 214 E HN 0.123 nan 8.360 nan 0.000 0.479 215 T N -1.493 112.738 114.554 -0.538 0.000 3.107 215 T HA 0.170 4.520 4.350 -0.000 0.000 0.249 215 T C -0.027 174.494 174.700 -0.297 0.000 1.096 215 T CA 0.273 61.998 62.100 -0.625 0.000 1.012 215 T CB -0.401 67.786 68.868 -1.135 0.000 0.977 215 T HN 0.337 nan 8.240 nan 0.000 0.527 216 N N 1.308 119.892 118.700 -0.193 0.000 2.780 216 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 216 N C 0.671 176.159 175.510 -0.038 0.000 1.102 216 N CA 0.496 53.494 53.050 -0.087 0.000 0.697 216 N CB -1.700 36.760 38.487 -0.044 0.000 1.028 216 N HN 1.016 nan 8.380 nan 0.000 0.554 217 G N 0.213 108.971 108.800 -0.069 0.000 2.255 217 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.239 217 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.239 217 G C -0.121 174.823 174.900 0.073 0.000 1.083 217 G CA 0.109 45.200 45.100 -0.014 0.000 0.826 217 G HN 0.792 nan 8.290 nan 0.000 0.493 218 H N -0.962 118.064 119.070 -0.073 0.000 3.064 218 H HA 0.131 4.687 4.556 0.000 0.000 0.329 218 H C 1.677 176.960 175.328 -0.076 0.000 1.020 218 H CA 0.312 56.319 56.048 -0.068 0.000 1.402 218 H CB 1.607 31.324 29.762 -0.075 0.000 1.379 218 H HN 0.146 nan 8.280 nan 0.000 0.594 219 V N 3.339 123.244 119.914 -0.015 0.000 2.568 219 V HA -0.247 3.873 4.120 -0.000 0.000 0.253 219 V C 1.757 177.828 176.094 -0.037 0.000 1.072 219 V CA 2.374 64.654 62.300 -0.033 0.000 1.084 219 V CB -0.332 31.466 31.823 -0.041 0.000 0.676 219 V HN 0.891 nan 8.190 nan 0.000 0.469 220 D N -1.567 118.776 120.400 -0.095 0.000 2.371 220 D HA -0.122 4.518 4.640 -0.000 0.000 0.221 220 D C 1.307 177.568 176.300 -0.064 0.000 0.986 220 D CA 0.765 54.707 54.000 -0.096 0.000 0.899 220 D CB -0.390 40.307 40.800 -0.172 0.000 0.902 220 D HN 0.440 nan 8.370 nan 0.000 0.530 221 D N -0.361 120.012 120.400 -0.045 0.000 2.350 221 D HA 0.050 4.690 4.640 -0.000 0.000 0.213 221 D C 1.690 177.928 176.300 -0.104 0.000 1.031 221 D CA 0.154 54.103 54.000 -0.085 0.000 0.861 221 D CB 1.200 41.911 40.800 -0.147 0.000 0.926 221 D HN 0.192 nan 8.370 nan 0.000 0.520 222 V N -0.167 119.707 119.914 -0.066 0.000 2.854 222 V HA 0.472 4.592 4.120 -0.000 0.000 0.236 222 V C 0.599 176.688 176.094 -0.008 0.000 1.157 222 V CA 0.518 62.791 62.300 -0.045 0.000 1.187 222 V CB 0.634 32.436 31.823 -0.034 0.000 0.949 222 V HN 0.140 nan 8.190 nan 0.000 0.488 223 A N -0.549 122.257 122.820 -0.023 0.000 2.604 223 A HA 0.752 5.072 4.320 -0.000 0.000 0.295 223 A C -1.024 176.491 177.584 -0.114 0.000 1.067 223 A CA 0.027 52.033 52.037 -0.052 0.000 0.683 223 A CB 1.531 20.497 19.000 -0.057 0.000 1.281 223 A HN 0.852 nan 8.150 nan 0.000 0.407 224 C N -1.350 117.804 119.300 -0.244 0.000 3.332 224 C HA 0.901 5.361 4.460 -0.000 0.000 0.329 224 C C -1.225 173.539 174.990 -0.377 0.000 1.434 224 C CA -1.234 57.481 59.018 -0.506 0.000 1.314 224 C CB 0.259 27.512 27.740 -0.812 0.000 1.664 224 C HN 0.806 nan 8.230 nan 0.000 0.457 225 F N 1.884 121.747 119.950 -0.146 0.000 2.411 225 F HA 0.483 5.010 4.527 0.000 0.000 0.350 225 F C 1.460 177.360 175.800 0.167 0.000 1.114 225 F CA -0.580 57.469 58.000 0.082 0.000 1.135 225 F CB 1.242 40.404 39.000 0.271 0.000 1.120 225 F HN 0.722 nan 8.300 nan 0.000 0.495 226 I N 0.374 121.050 120.570 0.177 0.000 3.228 226 I HA 0.591 4.761 4.170 -0.000 0.000 0.279 226 I C 0.566 176.483 176.117 -0.335 0.000 1.221 226 I CA 0.270 61.577 61.300 0.011 0.000 1.458 226 I CB 0.132 37.840 38.000 -0.486 0.000 1.105 226 I HN 0.443 nan 8.210 nan 0.000 0.445 227 A N 0.561 123.062 122.820 -0.532 0.000 2.566 227 A HA 0.655 4.975 4.320 -0.000 0.000 0.290 227 A C -2.982 174.322 177.584 -0.467 0.000 1.071 227 A CA -1.039 50.409 52.037 -0.982 0.000 0.658 227 A CB 0.016 18.706 19.000 -0.517 0.000 1.285 227 A HN -0.083 nan 8.150 nan 0.000 0.427 228 P HA 0.347 nan 4.420 nan 0.000 0.264 228 P C 1.003 178.296 177.300 -0.012 0.000 1.193 228 P CA 2.284 65.337 63.100 -0.078 0.000 0.763 228 P CB 0.602 32.285 31.700 -0.030 0.000 0.810 229 G N 1.790 110.644 108.800 0.090 0.000 2.179 229 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 229 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 229 G C -0.189 174.788 174.900 0.128 0.000 0.977 229 G CA -0.223 44.944 45.100 0.111 0.000 0.641 229 G HN 0.581 nan 8.290 nan 0.000 0.533 230 E N -0.357 119.940 120.200 0.162 0.000 2.256 230 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 230 E C -0.242 176.437 176.600 0.133 0.000 0.877 230 E CA -0.560 55.919 56.400 0.131 0.000 0.757 230 E CB 2.879 32.607 29.700 0.045 0.000 1.183 230 E HN 0.791 nan 8.360 nan 0.000 0.418 231 V N -1.404 118.567 119.914 0.094 0.000 2.914 231 V HA 0.932 5.052 4.120 -0.000 0.000 0.314 231 V C -0.455 175.685 176.094 0.078 0.000 1.084 231 V CA -0.956 61.323 62.300 -0.034 0.000 0.963 231 V CB 1.659 33.352 31.823 -0.217 0.000 1.025 231 V HN 0.745 nan 8.190 nan 0.000 0.432 232 A N 2.127 124.968 122.820 0.035 0.000 2.312 232 A HA 0.846 5.166 4.320 -0.000 0.000 0.326 232 A C -0.346 177.294 177.584 0.094 0.000 1.172 232 A CA -0.315 51.793 52.037 0.118 0.000 0.821 232 A CB 1.209 20.321 19.000 0.187 0.000 1.166 232 A HN 1.796 nan 8.150 nan 0.000 0.493 233 C N 4.068 123.458 119.300 0.151 0.000 2.535 233 C HA 0.635 5.095 4.460 -0.000 0.000 0.319 233 C C 0.053 175.155 174.990 0.187 0.000 1.171 233 C CA -1.033 58.081 59.018 0.159 0.000 1.394 233 C CB -0.396 27.485 27.740 0.235 0.000 1.990 233 C HN 0.961 nan 8.230 nan 0.000 0.466 234 I N 3.142 123.808 120.570 0.161 0.000 2.872 234 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 234 I C -0.917 175.332 176.117 0.221 0.000 1.216 234 I CA 0.473 61.880 61.300 0.178 0.000 1.424 234 I CB 0.284 38.354 38.000 0.117 0.000 1.351 234 I HN 0.732 nan 8.210 nan 0.000 0.592 235 Y N 3.286 123.610 120.300 0.040 0.000 2.519 235 Y HA 0.574 5.124 4.550 0.000 0.000 0.336 235 Y C -0.448 175.473 175.900 0.036 0.000 1.089 235 Y CA -0.503 57.577 58.100 -0.035 0.000 1.025 235 Y CB 2.204 40.552 38.460 -0.188 0.000 1.318 235 Y HN 0.918 nan 8.280 nan 0.000 0.452 236 T N 3.323 117.631 114.554 -0.410 0.000 2.942 236 T HA 0.320 4.670 4.350 -0.000 0.000 0.327 236 T C -0.710 173.875 174.700 -0.192 0.000 1.360 236 T CA -0.502 61.519 62.100 -0.132 0.000 1.055 236 T CB 1.377 70.266 68.868 0.035 0.000 1.261 236 T HN 0.791 nan 8.240 nan 0.000 0.485 237 E N 1.406 121.618 120.200 0.020 0.000 2.498 237 E HA 0.092 4.442 4.350 -0.000 0.000 0.203 237 E C -0.524 176.107 176.600 0.053 0.000 1.013 237 E CA -0.249 56.221 56.400 0.117 0.000 0.927 237 E CB 0.500 30.267 29.700 0.112 0.000 1.012 237 E HN 0.498 nan 8.360 nan 0.000 0.482 238 D N 1.729 122.144 120.400 0.025 0.000 2.352 238 D HA 0.017 4.657 4.640 -0.000 0.000 0.245 238 D C 0.710 176.855 176.300 -0.258 0.000 1.224 238 D CA 0.128 54.073 54.000 -0.091 0.000 0.879 238 D CB 0.867 41.636 40.800 -0.052 0.000 1.057 238 D HN -0.058 nan 8.370 nan 0.000 0.491 239 Q N 2.341 121.831 119.800 -0.517 0.000 2.500 239 Q HA -0.033 4.307 4.340 -0.000 0.000 0.213 239 Q C 0.736 176.499 176.000 -0.394 0.000 0.974 239 Q CA 0.515 55.804 55.803 -0.857 0.000 0.918 239 Q CB 0.291 28.585 28.738 -0.740 0.000 0.980 239 Q HN 0.436 nan 8.270 nan 0.000 0.505 240 N N 0.066 118.625 118.700 -0.234 0.000 2.373 240 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 240 N C 0.365 175.798 175.510 -0.128 0.000 1.082 240 N CA 0.169 53.129 53.050 -0.150 0.000 0.885 240 N CB 0.368 38.782 38.487 -0.121 0.000 0.977 240 N HN 0.002 nan 8.380 nan 0.000 0.462 241 S N 2.661 118.287 115.700 -0.122 0.000 2.552 241 S HA 0.061 4.531 4.470 -0.000 0.000 0.289 241 S C -1.130 173.401 174.600 -0.116 0.000 1.304 241 S CA -1.077 57.030 58.200 -0.154 0.000 1.063 241 S CB 0.962 64.103 63.200 -0.098 0.000 0.848 241 S HN 0.090 nan 8.310 nan 0.000 0.499 242 P HA -0.046 nan 4.420 nan 0.000 0.225 242 P C 0.639 178.036 177.300 0.161 0.000 1.148 242 P CA 1.008 64.060 63.100 -0.080 0.000 0.779 242 P CB -0.074 31.538 31.700 -0.145 0.000 0.780 243 F N -2.585 117.376 119.950 0.019 0.000 2.776 243 F HA 0.108 4.635 4.527 0.000 0.000 0.300 243 F C 2.352 178.160 175.800 0.013 0.000 1.116 243 F CA -1.252 56.752 58.000 0.007 0.000 1.375 243 F CB -1.796 37.198 39.000 -0.011 0.000 1.109 243 F HN -0.135 nan 8.300 nan 0.000 0.585 244 Y N 1.786 122.128 120.300 0.070 0.000 2.053 244 Y HA -0.313 4.237 4.550 0.000 0.000 0.277 244 Y C 2.426 178.319 175.900 -0.012 0.000 1.159 244 Y CA 2.298 60.388 58.100 -0.016 0.000 1.125 244 Y CB -0.327 38.102 38.460 -0.052 0.000 0.969 244 Y HN -0.021 nan 8.280 nan 0.000 0.492 245 E N 0.077 120.294 120.200 0.030 0.000 2.038 245 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 245 E C 2.337 178.884 176.600 -0.089 0.000 1.000 245 E CA 1.668 58.033 56.400 -0.058 0.000 0.803 245 E CB -0.729 29.012 29.700 0.069 0.000 0.750 245 E HN 0.563 nan 8.360 nan 0.000 0.448 246 A N 0.422 123.232 122.820 -0.017 0.000 1.930 246 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 246 A C 2.339 179.908 177.584 -0.025 0.000 1.175 246 A CA 1.948 53.980 52.037 -0.008 0.000 0.627 246 A CB -0.803 18.204 19.000 0.011 0.000 0.815 246 A HN 0.303 nan 8.150 nan 0.000 0.443 247 A N -0.895 121.893 122.820 -0.053 0.000 1.877 247 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 247 A C 2.143 179.694 177.584 -0.055 0.000 1.186 247 A CA 1.562 53.571 52.037 -0.047 0.000 0.620 247 A CB -0.514 18.437 19.000 -0.082 0.000 0.822 247 A HN 0.530 nan 8.150 nan 0.000 0.443 248 Q N -0.528 119.122 119.800 -0.250 0.000 2.084 248 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 248 Q C 1.724 177.742 176.000 0.029 0.000 0.978 248 Q CA 1.928 57.629 55.803 -0.169 0.000 0.844 248 Q CB -0.425 28.046 28.738 -0.445 0.000 0.898 248 Q HN 0.811 nan 8.270 nan 0.000 0.426 249 D N 0.143 120.534 120.400 -0.016 0.000 2.123 249 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 249 D C 1.799 178.135 176.300 0.060 0.000 0.976 249 D CA 1.232 55.248 54.000 0.026 0.000 0.831 249 D CB 0.065 40.871 40.800 0.011 0.000 0.974 249 D HN 0.206 nan 8.370 nan 0.000 0.469 250 A N -0.535 122.327 122.820 0.071 0.000 1.902 250 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 250 A C 2.163 179.812 177.584 0.110 0.000 1.181 250 A CA 1.425 53.509 52.037 0.079 0.000 0.623 250 A CB -1.287 17.756 19.000 0.072 0.000 0.818 250 A HN 0.498 nan 8.150 nan 0.000 0.443 251 Y N 0.489 120.824 120.300 0.059 0.000 2.128 251 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 251 Y C 2.612 178.534 175.900 0.037 0.000 1.154 251 Y CA 2.330 60.475 58.100 0.074 0.000 1.149 251 Y CB -0.249 38.332 38.460 0.201 0.000 0.976 251 Y HN 0.311 nan 8.280 nan 0.000 0.505 252 Q N 0.359 120.180 119.800 0.035 0.000 2.084 252 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 252 Q C 2.375 178.323 176.000 -0.086 0.000 0.978 252 Q CA 1.800 57.572 55.803 -0.053 0.000 0.844 252 Q CB -0.420 28.343 28.738 0.043 0.000 0.898 252 Q HN 0.562 nan 8.270 nan 0.000 0.426 253 R N -0.170 120.308 120.500 -0.036 0.000 2.073 253 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 253 R C 2.253 178.517 176.300 -0.061 0.000 1.134 253 R CA 0.838 56.923 56.100 -0.025 0.000 0.952 253 R CB -0.281 30.029 30.300 0.017 0.000 0.850 253 R HN 0.152 nan 8.270 nan 0.000 0.433 254 L N 0.892 122.058 121.223 -0.096 0.000 2.083 254 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 254 L C 2.189 178.963 176.870 -0.160 0.000 1.083 254 L CA 1.518 56.288 54.840 -0.116 0.000 0.752 254 L CB -0.866 41.118 42.059 -0.126 0.000 0.899 254 L HN 0.240 nan 8.230 nan 0.000 0.433 255 L N -0.916 120.151 121.223 -0.259 0.000 2.362 255 L HA -0.190 4.150 4.340 -0.000 0.000 0.219 255 L C 1.867 178.656 176.870 -0.136 0.000 1.134 255 L CA 0.955 55.644 54.840 -0.252 0.000 0.807 255 L CB -0.280 41.569 42.059 -0.350 0.000 0.927 255 L HN 0.272 nan 8.230 nan 0.000 0.447 256 K N -0.784 119.559 120.400 -0.096 0.000 2.358 256 K HA 0.240 4.560 4.320 -0.000 0.000 0.197 256 K C 0.239 176.825 176.600 -0.024 0.000 1.025 256 K CA -0.054 56.203 56.287 -0.050 0.000 1.104 256 K CB 0.505 32.985 32.500 -0.034 0.000 0.855 256 K HN 0.227 nan 8.250 nan 0.000 0.531 257 M N 1.470 121.055 119.600 -0.025 0.000 2.318 257 M HA 0.120 4.600 4.480 -0.000 0.000 0.347 257 M C 0.105 176.414 176.300 0.016 0.000 1.175 257 M CA -0.406 54.898 55.300 0.006 0.000 1.075 257 M CB 1.712 34.320 32.600 0.014 0.000 1.614 257 M HN -0.023 nan 8.290 nan 0.000 0.456 258 T N -1.667 112.906 114.554 0.032 0.000 2.888 258 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 258 T C -0.571 174.168 174.700 0.065 0.000 1.017 258 T CA -1.158 60.966 62.100 0.040 0.000 1.022 258 T CB 1.255 70.140 68.868 0.028 0.000 1.013 258 T HN 0.666 nan 8.240 nan 0.000 0.465 259 D N 1.461 121.908 120.400 0.079 0.000 2.447 259 D HA 0.407 5.047 4.640 -0.000 0.000 0.265 259 D C 1.603 177.934 176.300 0.052 0.000 1.250 259 D CA -0.452 53.603 54.000 0.092 0.000 1.046 259 D CB 0.065 40.934 40.800 0.114 0.000 1.095 259 D HN 0.611 nan 8.370 nan 0.000 0.555 260 A N -0.549 122.293 122.820 0.037 0.000 2.070 260 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 260 A C 1.721 179.313 177.584 0.013 0.000 1.159 260 A CA 1.101 53.150 52.037 0.019 0.000 0.656 260 A CB -0.577 18.426 19.000 0.004 0.000 0.800 260 A HN 0.501 nan 8.150 nan 0.000 0.453 261 K N -1.511 118.897 120.400 0.013 0.000 2.404 261 K HA 0.208 4.528 4.320 -0.000 0.000 0.194 261 K C 1.012 177.620 176.600 0.013 0.000 1.023 261 K CA 0.563 56.856 56.287 0.009 0.000 1.094 261 K CB 0.152 32.654 32.500 0.005 0.000 0.841 261 K HN 0.653 nan 8.250 nan 0.000 0.523 262 G N 2.328 111.140 108.800 0.019 0.000 2.157 262 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 262 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 262 G C -0.120 174.791 174.900 0.018 0.000 0.979 262 G CA -0.173 44.938 45.100 0.018 0.000 0.650 262 G HN 0.280 nan 8.290 nan 0.000 0.529 263 R N 0.261 120.775 120.500 0.023 0.000 2.401 263 R HA 0.367 4.707 4.340 -0.000 0.000 0.299 263 R C 0.570 176.886 176.300 0.027 0.000 1.064 263 R CA -0.383 55.731 56.100 0.023 0.000 1.000 263 R CB 0.548 30.865 30.300 0.028 0.000 0.973 263 R HN 0.323 nan 8.270 nan 0.000 0.438 264 Q N 3.033 122.840 119.800 0.012 0.000 2.289 264 Q HA 0.050 4.390 4.340 -0.000 0.000 0.273 264 Q C -0.673 175.331 176.000 0.006 0.000 1.029 264 Q CA 0.232 56.037 55.803 0.003 0.000 0.896 264 Q CB 0.526 29.256 28.738 -0.013 0.000 1.182 264 Q HN 0.457 nan 8.270 nan 0.000 0.385 265 L N 4.429 125.658 121.223 0.010 0.000 2.453 265 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 265 L C 0.346 177.201 176.870 -0.024 0.000 1.182 265 L CA 0.243 55.095 54.840 0.020 0.000 0.858 265 L CB 0.297 42.366 42.059 0.017 0.000 1.120 265 L HN 0.536 nan 8.230 nan 0.000 0.474 266 K N 3.184 123.579 120.400 -0.008 0.000 2.248 266 K HA 0.413 4.733 4.320 -0.000 0.000 0.281 266 K C -0.937 175.615 176.600 -0.079 0.000 1.054 266 K CA -0.518 55.726 56.287 -0.071 0.000 0.903 266 K CB 1.589 34.063 32.500 -0.043 0.000 1.077 266 K HN 0.281 nan 8.250 nan 0.000 0.474 267 V N 4.299 124.114 119.914 -0.165 0.000 2.370 267 V HA 0.181 4.301 4.120 -0.000 0.000 0.283 267 V C -0.187 175.825 176.094 -0.137 0.000 1.023 267 V CA -0.852 61.404 62.300 -0.073 0.000 0.857 267 V CB 0.991 32.762 31.823 -0.087 0.000 0.985 267 V HN 0.721 nan 8.190 nan 0.000 0.443 268 H N 3.721 122.809 119.070 0.030 0.000 2.511 268 H HA 0.387 4.943 4.556 -0.000 0.000 0.328 268 H C -0.329 175.023 175.328 0.041 0.000 1.044 268 H CA -0.746 55.309 56.048 0.012 0.000 1.212 268 H CB 1.727 31.465 29.762 -0.040 0.000 1.428 268 H HN 0.564 nan 8.280 nan 0.000 0.483 269 K N 2.373 122.819 120.400 0.076 0.000 2.382 269 K HA 0.156 4.476 4.320 -0.000 0.000 0.275 269 K C -0.368 176.289 176.600 0.096 0.000 1.009 269 K CA -0.354 55.948 56.287 0.025 0.000 0.970 269 K CB 0.877 33.287 32.500 -0.150 0.000 0.934 269 K HN 0.180 nan 8.250 nan 0.000 0.479 270 L N 3.987 125.297 121.223 0.145 0.000 2.362 270 L HA 0.289 4.629 4.340 -0.000 0.000 0.275 270 L C -0.298 176.696 176.870 0.206 0.000 0.998 270 L CA -0.640 54.302 54.840 0.170 0.000 0.820 270 L CB 0.906 43.105 42.059 0.235 0.000 1.270 270 L HN 0.944 nan 8.230 nan 0.000 0.415 271 C N 1.835 121.245 119.300 0.184 0.000 2.758 271 C HA 0.599 5.059 4.460 -0.000 0.000 0.371 271 C C 0.658 175.879 174.990 0.386 0.000 1.342 271 C CA -0.969 58.185 59.018 0.226 0.000 2.257 271 C CB -0.459 27.372 27.740 0.151 0.000 2.621 271 C HN 0.902 nan 8.230 nan 0.000 0.730 272 C N 1.961 121.475 119.300 0.356 0.000 2.562 272 C HA 0.696 5.156 4.460 -0.000 0.000 0.332 272 C C -2.303 172.902 174.990 0.358 0.000 1.201 272 C CA -0.705 58.538 59.018 0.376 0.000 1.803 272 C CB 1.133 29.055 27.740 0.304 0.000 2.328 272 C HN 0.763 nan 8.230 nan 0.000 0.500 273 P HA 0.081 nan 4.420 nan 0.000 0.266 273 P C 0.577 177.933 177.300 0.093 0.000 1.195 273 P CA 0.235 63.447 63.100 0.188 0.000 0.768 273 P CB 0.447 32.136 31.700 -0.019 0.000 0.838 274 V N 2.532 122.507 119.914 0.101 0.000 2.358 274 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 274 V C 1.034 177.122 176.094 -0.011 0.000 1.047 274 V CA 1.782 64.108 62.300 0.043 0.000 1.035 274 V CB -0.662 31.195 31.823 0.057 0.000 0.658 274 V HN 0.530 nan 8.190 nan 0.000 0.452 275 K N 0.997 121.397 120.400 -0.001 0.000 2.138 275 K HA 0.304 4.624 4.320 -0.000 0.000 0.263 275 K C -0.461 176.099 176.600 -0.067 0.000 0.965 275 K CA -0.663 55.608 56.287 -0.027 0.000 0.868 275 K CB 0.735 33.240 32.500 0.009 0.000 1.083 275 K HN 0.164 nan 8.250 nan 0.000 0.443 276 N N 1.103 119.745 118.700 -0.097 0.000 2.492 276 N HA 0.030 4.770 4.740 -0.000 0.000 0.262 276 N C -0.577 174.906 175.510 -0.045 0.000 1.202 276 N CA -0.075 52.905 53.050 -0.117 0.000 0.926 276 N CB 0.685 39.099 38.487 -0.122 0.000 1.078 276 N HN 0.164 nan 8.380 nan 0.000 0.454 277 V N 1.697 121.589 119.914 -0.038 0.000 2.465 277 V HA 0.384 4.504 4.120 -0.000 0.000 0.279 277 V C 0.575 176.726 176.094 0.094 0.000 1.045 277 V CA -0.372 61.965 62.300 0.061 0.000 0.938 277 V CB 1.016 32.862 31.823 0.039 0.000 0.986 277 V HN 0.854 nan 8.190 nan 0.000 0.467 278 T N 2.989 117.620 114.554 0.128 0.000 2.893 278 T HA 0.636 4.986 4.350 -0.000 0.000 0.291 278 T C -0.508 174.192 174.700 0.001 0.000 1.028 278 T CA -0.838 61.292 62.100 0.050 0.000 0.995 278 T CB 1.564 70.412 68.868 -0.033 0.000 1.051 278 T HN 0.219 nan 8.240 nan 0.000 0.470 279 I N 2.059 122.587 120.570 -0.071 0.000 2.692 279 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 279 I C 0.667 176.442 176.117 -0.570 0.000 1.159 279 I CA -0.078 61.042 61.300 -0.300 0.000 1.423 279 I CB 0.239 38.169 38.000 -0.118 0.000 1.380 279 I HN 0.709 nan 8.210 nan 0.000 0.580 280 K N 3.779 123.415 120.400 -1.274 0.000 2.159 280 K HA 0.353 4.673 4.320 -0.000 0.000 0.266 280 K C 1.221 177.429 176.600 -0.652 0.000 0.975 280 K CA -0.396 55.330 56.287 -0.935 0.000 0.865 280 K CB 1.507 33.373 32.500 -1.055 0.000 1.087 280 K HN 0.752 nan 8.250 nan 0.000 0.446 281 G N 0.965 109.570 108.800 -0.326 0.000 2.475 281 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 281 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 281 G C 1.367 176.203 174.900 -0.107 0.000 1.125 281 G CA 1.420 46.416 45.100 -0.173 0.000 0.755 281 G HN 0.670 nan 8.290 nan 0.000 0.565 282 S N -0.190 115.439 115.700 -0.119 0.000 2.507 282 S HA 0.146 4.616 4.470 -0.000 0.000 0.235 282 S C 0.927 175.617 174.600 0.152 0.000 0.988 282 S CA -0.399 57.803 58.200 0.003 0.000 0.944 282 S CB -0.477 62.731 63.200 0.013 0.000 0.762 282 S HN 0.282 nan 8.310 nan 0.000 0.526 283 F N 2.470 122.390 119.950 -0.051 0.000 2.607 283 F HA 0.135 4.662 4.527 0.000 0.000 0.374 283 F C 0.915 176.707 175.800 -0.013 0.000 1.104 283 F CA -0.575 57.394 58.000 -0.051 0.000 1.296 283 F CB 0.523 39.457 39.000 -0.110 0.000 1.085 283 F HN -0.038 nan 8.300 nan 0.000 0.584 284 K N 6.309 126.818 120.400 0.182 0.000 2.184 284 K HA 0.413 4.733 4.320 -0.000 0.000 0.259 284 K C -0.619 176.042 176.600 0.102 0.000 1.119 284 K CA 0.083 56.438 56.287 0.114 0.000 0.991 284 K CB 0.394 32.942 32.500 0.080 0.000 1.522 284 K HN 0.510 nan 8.250 nan 0.000 0.405 285 I N 1.643 122.283 120.570 0.116 0.000 2.498 285 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 285 I C -0.235 175.947 176.117 0.108 0.000 1.032 285 I CA -1.040 60.323 61.300 0.106 0.000 1.073 285 I CB 1.994 40.062 38.000 0.115 0.000 1.251 285 I HN 0.188 nan 8.210 nan 0.000 0.426 286 D N 4.895 125.350 120.400 0.092 0.000 2.382 286 D HA 0.121 4.761 4.640 -0.000 0.000 0.245 286 D C -0.621 175.759 176.300 0.134 0.000 1.120 286 D CA 0.265 54.326 54.000 0.102 0.000 0.890 286 D CB 0.828 41.667 40.800 0.064 0.000 1.201 286 D HN 0.210 nan 8.370 nan 0.000 0.433 287 F N 2.351 122.322 119.950 0.035 0.000 2.404 287 F HA 0.425 4.952 4.527 0.000 0.000 0.345 287 F C -0.810 175.015 175.800 0.041 0.000 1.110 287 F CA -0.488 57.532 58.000 0.034 0.000 1.130 287 F CB 0.791 39.806 39.000 0.026 0.000 1.129 287 F HN 0.016 nan 8.300 nan 0.000 0.500 288 V N 5.286 124.699 119.914 -0.835 0.000 2.569 288 V HA 0.189 4.309 4.120 -0.000 0.000 0.301 288 V C -0.620 174.940 176.094 -0.891 0.000 1.044 288 V CA -0.992 60.930 62.300 -0.630 0.000 0.874 288 V CB 1.528 33.212 31.823 -0.233 0.000 1.002 288 V HN 0.692 nan 8.190 nan 0.000 0.424 289 E N 3.109 122.934 120.200 -0.626 0.000 2.480 289 E HA 0.384 4.734 4.350 -0.000 0.000 0.258 289 E C 1.173 177.690 176.600 -0.139 0.000 0.984 289 E CA 1.741 57.965 56.400 -0.293 0.000 0.930 289 E CB 0.391 30.088 29.700 -0.004 0.000 0.936 289 E HN 1.053 nan 8.360 nan 0.000 0.466 290 G N 3.243 111.997 108.800 -0.077 0.000 2.232 290 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 290 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 290 G C 0.356 175.298 174.900 0.069 0.000 0.996 290 G CA 0.157 45.272 45.100 0.025 0.000 0.626 290 G HN 0.651 nan 8.290 nan 0.000 0.509 291 T N 2.167 116.709 114.554 -0.020 0.000 2.799 291 T HA 0.548 4.898 4.350 -0.000 0.000 0.286 291 T C 0.452 175.154 174.700 0.005 0.000 0.973 291 T CA -0.007 62.121 62.100 0.046 0.000 1.035 291 T CB 1.436 70.304 68.868 -0.001 0.000 0.932 291 T HN 0.533 nan 8.240 nan 0.000 0.469 292 M N 6.105 125.737 119.600 0.053 0.000 2.409 292 M HA 0.106 4.586 4.480 -0.000 0.000 0.376 292 M C -2.411 173.914 176.300 0.042 0.000 1.631 292 M CA -1.575 53.741 55.300 0.027 0.000 0.987 292 M CB -0.381 32.208 32.600 -0.017 0.000 2.090 292 M HN 0.193 nan 8.290 nan 0.000 0.474 293 P HA 0.157 nan 4.420 nan 0.000 0.269 293 P C -1.088 176.265 177.300 0.088 0.000 1.209 293 P CA 0.097 63.298 63.100 0.169 0.000 0.776 293 P CB 0.513 32.364 31.700 0.252 0.000 0.876 294 R N 2.474 123.030 120.500 0.094 0.000 2.312 294 R HA 0.346 4.686 4.340 -0.000 0.000 0.310 294 R C -0.136 176.191 176.300 0.046 0.000 1.064 294 R CA -0.262 55.874 56.100 0.059 0.000 0.983 294 R CB 0.566 30.908 30.300 0.069 0.000 1.139 294 R HN 0.561 nan 8.270 nan 0.000 0.536 295 E N 0.682 120.889 120.200 0.012 0.000 2.212 295 E HA 0.118 4.468 4.350 -0.000 0.000 0.270 295 E C -0.861 175.698 176.600 -0.069 0.000 0.956 295 E CA -0.941 55.446 56.400 -0.022 0.000 0.825 295 E CB 1.739 31.427 29.700 -0.019 0.000 1.167 295 E HN 0.262 nan 8.360 nan 0.000 0.400 296 D N 0.297 120.639 120.400 -0.097 0.000 2.586 296 D HA 0.045 4.685 4.640 -0.000 0.000 0.234 296 D C 0.973 177.209 176.300 -0.108 0.000 1.132 296 D CA 2.143 56.060 54.000 -0.137 0.000 0.860 296 D CB 0.221 40.947 40.800 -0.124 0.000 1.159 296 D HN 0.618 nan 8.370 nan 0.000 0.490 297 G N 3.089 111.815 108.800 -0.123 0.000 2.199 297 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 297 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 297 G C 0.044 174.907 174.900 -0.062 0.000 0.982 297 G CA 0.082 45.130 45.100 -0.087 0.000 0.632 297 G HN 0.657 nan 8.290 nan 0.000 0.529 298 D N 0.695 121.063 120.400 -0.054 0.000 2.487 298 D HA 0.273 4.913 4.640 -0.000 0.000 0.243 298 D C 1.145 177.440 176.300 -0.008 0.000 1.154 298 D CA 0.324 54.309 54.000 -0.025 0.000 0.876 298 D CB 0.413 41.207 40.800 -0.011 0.000 1.161 298 D HN 0.412 nan 8.370 nan 0.000 0.478 299 I N 3.099 123.665 120.570 -0.007 0.000 2.396 299 I HA 0.041 4.211 4.170 -0.000 0.000 0.289 299 I C 0.318 176.458 176.117 0.038 0.000 1.056 299 I CA -0.429 60.871 61.300 0.001 0.000 1.365 299 I CB 0.418 38.402 38.000 -0.027 0.000 1.407 299 I HN 0.217 nan 8.210 nan 0.000 0.509 300 C N 6.799 126.138 119.300 0.065 0.000 2.466 300 C HA 0.320 4.780 4.460 -0.000 0.000 0.379 300 C C 0.813 175.846 174.990 0.072 0.000 1.251 300 C CA -0.842 58.227 59.018 0.084 0.000 2.263 300 C CB 0.432 28.270 27.740 0.163 0.000 2.511 300 C HN 0.471 nan 8.230 nan 0.000 0.573 301 I N 2.985 123.582 120.570 0.045 0.000 2.366 301 I HA 0.139 4.309 4.170 -0.000 0.000 0.302 301 I C 0.982 177.061 176.117 -0.064 0.000 1.194 301 I CA 0.398 61.719 61.300 0.035 0.000 1.667 301 I CB -1.621 36.324 38.000 -0.091 0.000 1.501 301 I HN 0.739 nan 8.210 nan 0.000 0.776 302 A N 4.154 126.917 122.820 -0.096 0.000 2.506 302 A HA 0.441 4.761 4.320 -0.000 0.000 0.320 302 A C 0.494 177.838 177.584 -0.401 0.000 1.424 302 A CA -0.190 51.453 52.037 -0.657 0.000 1.044 302 A CB 0.203 18.518 19.000 -1.141 0.000 1.140 302 A HN 0.517 nan 8.150 nan 0.000 0.538 303 S N 1.733 117.316 115.700 -0.196 0.000 2.473 303 S HA 0.506 4.976 4.470 -0.000 0.000 0.307 303 S C 0.331 175.042 174.600 0.185 0.000 1.094 303 S CA -0.504 57.668 58.200 -0.048 0.000 1.070 303 S CB 0.431 63.561 63.200 -0.116 0.000 1.019 303 S HN 0.552 nan 8.310 nan 0.000 0.480 304 Y N 2.940 123.461 120.300 0.368 0.000 2.571 304 Y HA -0.008 4.542 4.550 -0.000 0.000 0.294 304 Y C 2.101 178.221 175.900 0.367 0.000 1.141 304 Y CA 0.362 58.680 58.100 0.364 0.000 1.308 304 Y CB -0.077 38.559 38.460 0.294 0.000 1.002 304 Y HN 0.657 nan 8.280 nan 0.000 0.551 305 M N 0.296 120.116 119.600 0.366 0.000 2.374 305 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 305 M C 0.906 177.159 176.300 -0.079 0.000 1.067 305 M CA 1.229 56.644 55.300 0.192 0.000 1.103 305 M CB -0.346 32.285 32.600 0.051 0.000 1.402 305 M HN 0.025 nan 8.290 nan 0.000 0.444 306 N N 1.234 119.990 118.700 0.093 0.000 3.111 306 N HA 0.041 4.781 4.740 -0.000 0.000 0.302 306 N C -1.097 174.522 175.510 0.182 0.000 1.317 306 N CA -0.087 53.011 53.050 0.081 0.000 1.151 306 N CB -0.243 38.345 38.487 0.168 0.000 1.456 306 N HN 0.226 nan 8.380 nan 0.000 0.547 307 F N -0.386 119.656 119.950 0.153 0.000 2.450 307 F HA 0.580 5.107 4.527 -0.000 0.000 0.328 307 F C -0.487 175.423 175.800 0.183 0.000 1.068 307 F CA -1.536 56.543 58.000 0.131 0.000 1.007 307 F CB 0.553 39.603 39.000 0.085 0.000 1.251 307 F HN -0.187 nan 8.300 nan 0.000 0.492 308 L N 3.215 124.686 121.223 0.414 0.000 2.305 308 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 308 L C -0.929 176.081 176.870 0.232 0.000 1.013 308 L CA -0.713 54.318 54.840 0.317 0.000 0.819 308 L CB 0.888 43.055 42.059 0.179 0.000 1.227 308 L HN 0.635 nan 8.230 nan 0.000 0.417 309 I N 4.198 124.888 120.570 0.201 0.000 2.371 309 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 309 I C 0.225 176.336 176.117 -0.010 0.000 1.028 309 I CA -0.024 61.267 61.300 -0.014 0.000 1.345 309 I CB 1.262 39.275 38.000 0.023 0.000 1.407 309 I HN 0.624 nan 8.210 nan 0.000 0.501 310 T N 5.395 119.883 114.554 -0.110 0.000 3.176 310 T HA 0.343 4.693 4.350 -0.000 0.000 0.337 310 T C -0.053 174.595 174.700 -0.086 0.000 0.957 310 T CA -0.347 61.724 62.100 -0.048 0.000 1.092 310 T CB -0.217 68.662 68.868 0.018 0.000 1.018 310 T HN 0.959 nan 8.240 nan 0.000 0.473 311 N N 2.593 121.278 118.700 -0.026 0.000 1.241 311 N HA -0.211 4.529 4.740 -0.000 0.000 0.135 311 N C -0.326 175.134 175.510 -0.082 0.000 0.723 311 N CA 1.721 54.768 53.050 -0.005 0.000 0.950 311 N CB -0.784 37.737 38.487 0.057 0.000 1.215 311 N HN 0.571 nan 8.380 nan 0.000 0.520 312 D N 0.948 121.306 120.400 -0.070 0.000 2.328 312 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 312 D C 0.459 176.466 176.300 -0.487 0.000 1.066 312 D CA 0.739 54.668 54.000 -0.118 0.000 0.861 312 D CB -0.207 40.636 40.800 0.073 0.000 0.912 312 D HN 0.424 nan 8.370 nan 0.000 0.521 313 G N -0.564 107.649 108.800 -0.980 0.000 2.533 313 G HA2 0.559 4.519 3.960 -0.000 0.000 0.304 313 G HA3 0.559 4.519 3.960 -0.000 0.000 0.304 313 G C -1.109 173.297 174.900 -0.824 0.000 1.263 313 G CA -0.435 43.684 45.100 -1.634 0.000 0.964 313 G HN -0.045 nan 8.290 nan 0.000 0.479 314 V N 1.810 121.350 119.914 -0.623 0.000 2.623 314 V HA 0.383 4.503 4.120 -0.000 0.000 0.304 314 V C -0.801 175.156 176.094 -0.229 0.000 1.054 314 V CA -0.791 61.250 62.300 -0.432 0.000 0.882 314 V CB 1.677 33.128 31.823 -0.621 0.000 1.002 314 V HN 0.601 nan 8.190 nan 0.000 0.424 315 I N 5.449 125.978 120.570 -0.068 0.000 2.307 315 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 315 I C -0.153 176.016 176.117 0.086 0.000 1.021 315 I CA -0.531 60.784 61.300 0.025 0.000 1.224 315 I CB 1.292 39.333 38.000 0.068 0.000 1.376 315 I HN 0.248 nan 8.210 nan 0.000 0.470 316 V N 8.527 128.470 119.914 0.047 0.000 2.555 316 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 316 V C -2.226 173.911 176.094 0.072 0.000 1.038 316 V CA -1.986 60.373 62.300 0.098 0.000 0.887 316 V CB 2.124 33.946 31.823 -0.002 0.000 0.991 316 V HN 0.531 nan 8.190 nan 0.000 0.434 317 P HA 0.134 nan 4.420 nan 0.000 0.266 317 P C -0.896 176.307 177.300 -0.161 0.000 1.195 317 P CA 0.041 63.052 63.100 -0.148 0.000 0.768 317 P CB 0.338 31.894 31.700 -0.240 0.000 0.838 318 Q N 1.996 121.601 119.800 -0.326 0.000 2.304 318 Q HA 0.239 4.579 4.340 -0.000 0.000 0.270 318 Q C -0.554 175.273 176.000 -0.288 0.000 1.035 318 Q CA -0.324 55.392 55.803 -0.145 0.000 0.781 318 Q CB 1.708 30.430 28.738 -0.026 0.000 1.261 318 Q HN 0.564 nan 8.270 nan 0.000 0.444 319 Y N -0.438 119.958 120.300 0.160 0.000 2.467 319 Y HA 0.239 4.789 4.550 0.000 0.000 0.250 319 Y C 1.474 177.424 175.900 0.083 0.000 1.155 319 Y CA 0.161 58.302 58.100 0.069 0.000 1.249 319 Y CB 1.161 39.622 38.460 0.003 0.000 1.146 319 Y HN 0.954 nan 8.280 nan 0.000 0.524 320 G N 1.203 110.127 108.800 0.206 0.000 2.147 320 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 320 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 320 G C -0.382 174.623 174.900 0.175 0.000 1.005 320 G CA 0.372 45.570 45.100 0.163 0.000 0.713 320 G HN 0.427 nan 8.290 nan 0.000 0.515 321 D N -0.582 119.958 120.400 0.232 0.000 2.294 321 D HA 0.496 5.136 4.640 -0.000 0.000 0.250 321 D C 1.727 178.136 176.300 0.182 0.000 1.058 321 D CA 0.097 54.226 54.000 0.215 0.000 0.950 321 D CB 0.579 41.553 40.800 0.289 0.000 1.158 321 D HN 0.349 nan 8.370 nan 0.000 0.453 322 E N 1.172 121.454 120.200 0.137 0.000 2.209 322 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 322 E C 0.598 177.262 176.600 0.107 0.000 0.993 322 E CA 1.227 57.689 56.400 0.103 0.000 0.819 322 E CB -0.334 29.412 29.700 0.077 0.000 0.745 322 E HN 0.449 nan 8.360 nan 0.000 0.477 323 N N 0.361 119.158 118.700 0.163 0.000 2.383 323 N HA -0.041 4.699 4.740 -0.000 0.000 0.192 323 N C 0.416 175.939 175.510 0.020 0.000 1.141 323 N CA 0.075 53.203 53.050 0.129 0.000 0.851 323 N CB 0.190 38.812 38.487 0.224 0.000 0.976 323 N HN 0.157 nan 8.380 nan 0.000 0.465 324 D N 1.188 121.655 120.400 0.111 0.000 2.104 324 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 324 D C 1.911 178.147 176.300 -0.108 0.000 0.994 324 D CA 1.043 55.063 54.000 0.033 0.000 0.830 324 D CB 0.025 40.901 40.800 0.126 0.000 0.959 324 D HN 0.223 nan 8.370 nan 0.000 0.452 325 R N 0.002 120.472 120.500 -0.049 0.000 2.075 325 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 325 R C 2.270 178.515 176.300 -0.092 0.000 1.126 325 R CA 0.666 56.731 56.100 -0.058 0.000 0.963 325 R CB -0.414 29.873 30.300 -0.022 0.000 0.858 325 R HN 0.116 nan 8.270 nan 0.000 0.435 326 L N 0.917 122.084 121.223 -0.093 0.000 2.013 326 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 326 L C 2.250 179.022 176.870 -0.164 0.000 1.073 326 L CA 2.277 57.059 54.840 -0.096 0.000 0.753 326 L CB -0.816 41.210 42.059 -0.055 0.000 0.890 326 L HN 0.272 nan 8.230 nan 0.000 0.432 327 A N -0.493 122.126 122.820 -0.334 0.000 1.883 327 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 327 A C 2.279 179.715 177.584 -0.246 0.000 1.186 327 A CA 2.170 53.941 52.037 -0.444 0.000 0.624 327 A CB -0.972 17.323 19.000 -1.173 0.000 0.822 327 A HN 0.531 nan 8.150 nan 0.000 0.444 328 L N -0.944 120.157 121.223 -0.204 0.000 2.046 328 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 328 L C 2.619 179.430 176.870 -0.099 0.000 1.077 328 L CA 1.697 56.459 54.840 -0.130 0.000 0.747 328 L CB -0.750 41.254 42.059 -0.092 0.000 0.896 328 L HN 0.500 nan 8.230 nan 0.000 0.432 329 E N -0.108 120.040 120.200 -0.086 0.000 2.058 329 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 329 E C 2.265 178.830 176.600 -0.058 0.000 0.997 329 E CA 1.320 57.684 56.400 -0.060 0.000 0.801 329 E CB -0.080 29.591 29.700 -0.048 0.000 0.746 329 E HN 0.545 nan 8.360 nan 0.000 0.450 330 Q N 0.160 119.920 119.800 -0.066 0.000 2.079 330 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 330 Q C 2.387 178.346 176.000 -0.068 0.000 0.974 330 Q CA 1.272 57.046 55.803 -0.049 0.000 0.840 330 Q CB 0.048 28.769 28.738 -0.029 0.000 0.898 330 Q HN 0.157 nan 8.270 nan 0.000 0.430 331 V N 0.867 120.723 119.914 -0.097 0.000 2.407 331 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 331 V C 2.253 178.329 176.094 -0.030 0.000 1.055 331 V CA 1.921 64.150 62.300 -0.118 0.000 1.049 331 V CB -0.565 31.091 31.823 -0.278 0.000 0.662 331 V HN 0.334 nan 8.190 nan 0.000 0.455 332 Q N 1.225 120.997 119.800 -0.048 0.000 2.096 332 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 332 Q C 2.309 178.293 176.000 -0.027 0.000 0.982 332 Q CA 2.799 58.590 55.803 -0.020 0.000 0.850 332 Q CB -0.682 28.037 28.738 -0.031 0.000 0.901 332 Q HN 0.779 nan 8.270 nan 0.000 0.422 333 T N -2.153 112.368 114.554 -0.056 0.000 2.867 333 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 333 T C 1.771 176.373 174.700 -0.163 0.000 1.057 333 T CA 1.380 63.437 62.100 -0.073 0.000 1.136 333 T CB -0.253 68.589 68.868 -0.043 0.000 0.874 333 T HN 0.311 nan 8.240 nan 0.000 0.466 334 M N 0.003 119.442 119.600 -0.268 0.000 2.229 334 M HA 0.197 4.677 4.480 -0.000 0.000 0.264 334 M C -0.034 175.771 176.300 -0.826 0.000 1.063 334 M CA 1.259 56.178 55.300 -0.635 0.000 1.114 334 M CB -0.082 32.062 32.600 -0.760 0.000 1.387 334 M HN 0.226 nan 8.290 nan 0.000 0.420 335 F N -0.447 119.403 119.950 -0.167 0.000 2.622 335 F HA 0.306 4.833 4.527 -0.000 0.000 0.338 335 F C -1.796 173.939 175.800 -0.107 0.000 1.334 335 F CA -1.959 55.960 58.000 -0.135 0.000 1.179 335 F CB 0.228 39.141 39.000 -0.145 0.000 1.471 335 F HN -0.112 nan 8.300 nan 0.000 0.576 336 P HA -0.139 nan 4.420 nan 0.000 0.222 336 P C 0.425 177.737 177.300 0.019 0.000 1.147 336 P CA 1.473 64.575 63.100 0.003 0.000 0.790 336 P CB 0.440 32.127 31.700 -0.022 0.000 0.780 337 D N -0.831 119.590 120.400 0.035 0.000 2.363 337 D HA 0.109 4.749 4.640 -0.000 0.000 0.214 337 D C 0.598 176.911 176.300 0.021 0.000 1.093 337 D CA 0.220 54.236 54.000 0.027 0.000 0.837 337 D CB 0.710 41.525 40.800 0.026 0.000 0.948 337 D HN 0.307 nan 8.370 nan 0.000 0.507 338 K N 0.886 121.296 120.400 0.016 0.000 2.139 338 K HA 0.345 4.665 4.320 -0.000 0.000 0.243 338 K C 0.142 176.699 176.600 -0.072 0.000 0.983 338 K CA -0.692 55.558 56.287 -0.062 0.000 0.890 338 K CB 2.161 34.574 32.500 -0.145 0.000 1.090 338 K HN -0.237 nan 8.250 nan 0.000 0.445 339 K N 2.496 122.820 120.400 -0.126 0.000 2.234 339 K HA 0.208 4.528 4.320 -0.000 0.000 0.277 339 K C -0.692 175.828 176.600 -0.134 0.000 1.038 339 K CA -0.539 55.723 56.287 -0.041 0.000 0.888 339 K CB 0.522 33.120 32.500 0.164 0.000 1.091 339 K HN 0.376 nan 8.250 nan 0.000 0.467 340 I N 5.392 125.917 120.570 -0.074 0.000 2.315 340 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 340 I C -0.317 175.783 176.117 -0.029 0.000 1.006 340 I CA -0.790 60.449 61.300 -0.102 0.000 1.265 340 I CB 1.087 39.030 38.000 -0.095 0.000 1.387 340 I HN 0.290 nan 8.210 nan 0.000 0.475 341 V N 5.740 125.645 119.914 -0.015 0.000 2.407 341 V HA 0.558 4.678 4.120 -0.000 0.000 0.291 341 V C 0.697 176.800 176.094 0.014 0.000 1.018 341 V CA -0.687 61.639 62.300 0.044 0.000 0.842 341 V CB 1.596 33.507 31.823 0.147 0.000 0.996 341 V HN 0.911 nan 8.190 nan 0.000 0.426 342 G N 3.623 112.424 108.800 0.002 0.000 2.415 342 G HA2 0.551 4.511 3.960 -0.000 0.000 0.269 342 G HA3 0.551 4.511 3.960 -0.000 0.000 0.269 342 G C -0.772 174.127 174.900 -0.002 0.000 1.209 342 G CA -0.218 44.879 45.100 -0.005 0.000 0.835 342 G HN 0.569 nan 8.290 nan 0.000 0.534 343 V N 2.551 122.455 119.914 -0.016 0.000 2.709 343 V HA 0.255 4.375 4.120 -0.000 0.000 0.308 343 V C -0.626 175.436 176.094 -0.054 0.000 1.062 343 V CA -1.452 60.834 62.300 -0.024 0.000 0.901 343 V CB 2.016 33.826 31.823 -0.021 0.000 1.003 343 V HN 0.675 nan 8.190 nan 0.000 0.425 344 N N 2.978 121.655 118.700 -0.038 0.000 2.406 344 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 344 N C 0.768 176.243 175.510 -0.060 0.000 1.203 344 N CA 0.221 53.245 53.050 -0.044 0.000 0.945 344 N CB 1.006 39.489 38.487 -0.008 0.000 1.165 344 N HN 0.948 nan 8.380 nan 0.000 0.485 345 T N -2.718 111.771 114.554 -0.109 0.000 3.288 345 T HA 0.070 4.420 4.350 -0.000 0.000 0.293 345 T C 1.260 175.949 174.700 -0.019 0.000 1.008 345 T CA -0.418 61.635 62.100 -0.078 0.000 0.929 345 T CB -0.199 68.609 68.868 -0.100 0.000 1.152 345 T HN 0.114 nan 8.240 nan 0.000 0.517 346 V N 1.841 121.742 119.914 -0.021 0.000 2.469 346 V HA -0.151 3.969 4.120 -0.000 0.000 0.251 346 V C 2.374 178.199 176.094 -0.447 0.000 1.064 346 V CA 1.983 64.233 62.300 -0.083 0.000 1.066 346 V CB -0.304 31.493 31.823 -0.044 0.000 0.667 346 V HN 0.479 nan 8.190 nan 0.000 0.461 347 E N -0.169 119.892 120.200 -0.231 0.000 2.204 347 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 347 E C 2.172 178.862 176.600 0.150 0.000 0.990 347 E CA 1.442 57.777 56.400 -0.108 0.000 0.821 347 E CB -0.312 29.397 29.700 0.015 0.000 0.750 347 E HN 0.603 nan 8.360 nan 0.000 0.477 348 V N 0.625 120.641 119.914 0.171 0.000 2.379 348 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 348 V C 2.445 178.869 176.094 0.551 0.000 1.044 348 V CA 0.968 63.524 62.300 0.426 0.000 1.036 348 V CB -0.419 31.549 31.823 0.242 0.000 0.664 348 V HN 0.074 nan 8.190 nan 0.000 0.453 349 V N -0.569 119.516 119.914 0.284 0.000 2.594 349 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 349 V C 2.186 178.439 176.094 0.265 0.000 1.069 349 V CA 1.840 64.292 62.300 0.253 0.000 1.082 349 V CB -0.554 31.382 31.823 0.190 0.000 0.680 349 V HN 0.633 nan 8.190 nan 0.000 0.469 350 Y N 0.154 120.643 120.300 0.314 0.000 2.315 350 Y HA -0.146 4.404 4.550 0.000 0.000 0.288 350 Y C 2.290 178.256 175.900 0.108 0.000 1.154 350 Y CA 0.617 58.860 58.100 0.239 0.000 1.229 350 Y CB -0.347 38.273 38.460 0.267 0.000 0.980 350 Y HN 0.420 nan 8.280 nan 0.000 0.540 351 G N -1.280 107.677 108.800 0.261 0.000 3.141 351 G HA2 0.344 4.304 3.960 -0.000 0.000 0.218 351 G HA3 0.344 4.304 3.960 -0.000 0.000 0.218 351 G C 1.143 176.021 174.900 -0.036 0.000 1.170 351 G CA 0.388 45.349 45.100 -0.232 0.000 0.769 351 G HN 0.477 nan 8.290 nan 0.000 0.546 352 G N -2.146 106.664 108.800 0.018 0.000 2.175 352 G HA2 0.329 4.289 3.960 -0.000 0.000 0.182 352 G HA3 0.329 4.289 3.960 -0.000 0.000 0.182 352 G C 0.458 175.147 174.900 -0.352 0.000 1.003 352 G CA 0.186 45.125 45.100 -0.269 0.000 0.666 352 G HN 1.496 nan 8.290 nan 0.000 0.506 353 G N -0.789 108.010 108.800 -0.002 0.000 2.500 353 G HA2 0.645 4.605 3.960 -0.000 0.000 0.299 353 G HA3 0.645 4.605 3.960 -0.000 0.000 0.299 353 G C -0.946 174.203 174.900 0.415 0.000 1.242 353 G CA 0.535 45.695 45.100 0.100 0.000 0.859 353 G HN 0.717 nan 8.290 nan 0.000 0.481 354 N N -2.401 116.543 118.700 0.407 0.000 3.633 354 N HA 0.426 5.166 4.740 -0.000 0.000 0.344 354 N C 1.558 177.193 175.510 0.209 0.000 1.627 354 N CA -0.615 52.622 53.050 0.310 0.000 0.754 354 N CB 0.672 39.334 38.487 0.291 0.000 2.450 354 N HN 0.286 nan 8.380 nan 0.000 0.592 355 I N 0.386 121.029 120.570 0.121 0.000 2.151 355 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 355 I C 1.409 177.588 176.117 0.103 0.000 1.080 355 I CA 1.214 62.541 61.300 0.045 0.000 1.339 355 I CB -0.443 37.599 38.000 0.070 0.000 1.039 355 I HN 0.499 nan 8.210 nan 0.000 0.409 359 T N -1.173 113.383 114.554 0.003 0.000 2.906 359 T HA 0.777 5.127 4.350 -0.000 0.000 0.295 359 T C -0.800 173.927 174.700 0.044 0.000 1.075 359 T CA -0.563 61.554 62.100 0.029 0.000 1.005 359 T CB 2.683 71.549 68.868 -0.003 0.000 1.136 359 T HN 0.252 nan 8.240 nan 0.000 0.498 360 Q N 2.013 121.906 119.800 0.155 0.000 2.269 360 Q HA 0.310 4.650 4.340 -0.000 0.000 0.263 360 Q C -0.801 175.388 176.000 0.315 0.000 0.983 360 Q CA -0.619 55.299 55.803 0.192 0.000 0.777 360 Q CB 1.619 30.483 28.738 0.211 0.000 1.273 360 Q HN 0.774 nan 8.270 nan 0.000 0.440 361 Q N 2.252 122.198 119.800 0.244 0.000 2.354 361 Q HA 0.225 4.565 4.340 -0.000 0.000 0.244 361 Q C -0.902 175.320 176.000 0.369 0.000 0.969 361 Q CA -0.094 55.861 55.803 0.253 0.000 0.885 361 Q CB 1.209 30.043 28.738 0.160 0.000 1.241 361 Q HN 0.743 nan 8.270 nan 0.000 0.461 362 E N 2.816 123.148 120.200 0.219 0.000 2.182 362 E HA 0.385 4.735 4.350 -0.000 0.000 0.258 362 E C -2.406 174.148 176.600 -0.077 0.000 0.879 362 E CA -2.492 53.867 56.400 -0.068 0.000 0.754 362 E CB 1.666 31.233 29.700 -0.221 0.000 1.162 362 E HN 0.456 nan 8.360 nan 0.000 0.419 363 P HA 0.058 nan 4.420 nan 0.000 0.274 363 P C -0.831 176.447 177.300 -0.037 0.000 1.231 363 P CA -0.239 62.860 63.100 -0.002 0.000 0.790 363 P CB 0.876 32.606 31.700 0.049 0.000 0.951 364 K N 2.030 122.423 120.400 -0.011 0.000 2.382 364 K HA 0.110 4.430 4.320 -0.000 0.000 0.275 364 K C 0.682 177.285 176.600 0.005 0.000 1.009 364 K CA -0.058 56.224 56.287 -0.008 0.000 0.970 364 K CB 0.309 32.811 32.500 0.003 0.000 0.934 364 K HN 0.360 nan 8.250 nan 0.000 0.479 365 R N 1.166 121.671 120.500 0.009 0.000 2.570 365 R HA 0.041 4.381 4.340 -0.000 0.000 0.277 365 R C 0.040 176.349 176.300 0.015 0.000 1.039 365 R CA -0.232 55.883 56.100 0.026 0.000 1.065 365 R CB 0.220 30.541 30.300 0.034 0.000 0.964 365 R HN 0.396 nan 8.270 nan 0.000 0.428 366 V N -0.371 119.547 119.914 0.007 0.000 2.680 366 V HA 0.953 5.073 4.120 -0.000 0.000 0.309 366 V C 0.305 176.392 176.094 -0.012 0.000 1.052 366 V CA -0.168 62.130 62.300 -0.003 0.000 0.908 366 V CB 1.499 33.316 31.823 -0.009 0.000 1.001 366 V HN 1.010 nan 8.190 nan 0.000 0.431 367 G N 1.880 110.679 108.800 -0.002 0.000 2.662 367 G HA2 0.424 4.384 3.960 -0.000 0.000 0.686 367 G HA3 0.424 4.384 3.960 -0.000 0.000 0.686 367 G C 0.026 174.948 174.900 0.038 0.000 1.271 367 G CA -0.140 44.964 45.100 0.007 0.000 0.816 367 G HN 1.907 nan 8.290 nan 0.000 0.608 368 G N 0.000 108.834 108.800 0.057 0.000 5.446 368 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 368 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 368 G CA 0.000 45.133 45.100 0.055 0.000 0.502 368 G HN 0.000 nan 8.290 nan 0.000 0.925