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 1g87_1_A DATA FIRST_RESID 3 DATA SEQUENCE TYNYGEALQK SIMFYEFQRS GDLPADKRDN WRDDSGMKDG SDVGVDLTGG DATA SEQUENCE WYDAGDHVKF NLPMSYTSAM LAWSLYEDKD AYDKSGQTKY IMDGIKWAND DATA SEQUENCE YFIKCNPTPG VYYYQVGDGG KDHSWWGPAE VMQMERPSFK VDASKPGSAV DATA SEQUENCE CASTAASLAS AAVVFKSSDP TYAEKCISHA KNLFDMADKA KSDAGYTAAS DATA SEQUENCE GYYSSSSFYD DLSWAAVWLY LATNDSTYLD KAESYVPNWG KEQQTDIIAY DATA SEQUENCE KWGQCWDDVH YGAELLLAKL TNKQLYKDSI EMNLDFWTTG VNGTRVSYTP DATA SEQUENCE KGLAWLFQWG SLRHATTQAF LAGVYAEWEG CTPSKVSVYK DFLKSQIDYA DATA SEQUENCE LGSTGRSFVV GYGVNPPQHP HHRTAHGSWT DQMTSPTYHR HTIYGALVGG DATA SEQUENCE PDNADGYTDE INNYVNNEIA CDYNAGFTGA LAKMYKHSGG DPIPNFKAIE DATA SEQUENCE KITNDEVIIK AGLNSTGPNY TEIKAVVYNQ TGWPARVTDK ISFKYFMDLS DATA SEQUENCE EIVAAGIDPL SLVTSSXYSE GKNTKVSGVL PWDVSNNVYY VNVDLTGENI DATA SEQUENCE YPGGQSACRR EVQFRIAAPQ GTTYWNPKND FSYDGLPTTS TVNTVTNIPV DATA SEQUENCE YDNGVKVFGN EP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.180 174.700 -0.867 0.000 1.109 3 T CA 0.000 61.793 62.100 -0.511 0.000 1.349 3 T CB 0.000 68.789 68.868 -0.132 0.000 0.612 4 Y N 1.225 121.376 120.300 -0.248 0.000 2.536 4 Y HA 0.598 5.145 4.550 -0.004 0.000 0.347 4 Y C 0.312 175.865 175.900 -0.578 0.000 1.000 4 Y CA -1.058 56.813 58.100 -0.382 0.000 1.051 4 Y CB 1.252 39.494 38.460 -0.364 0.000 1.259 4 Y HN 0.468 nan 8.280 nan 0.000 0.468 5 N N 1.777 120.426 118.700 -0.086 0.000 2.448 5 N HA 0.019 4.757 4.740 -0.004 0.000 0.250 5 N C -0.152 175.381 175.510 0.039 0.000 1.136 5 N CA 0.259 53.299 53.050 -0.017 0.000 0.953 5 N CB 0.029 38.555 38.487 0.066 0.000 1.251 5 N HN 0.615 nan 8.380 nan 0.000 0.502 6 Y N 1.445 121.890 120.300 0.241 0.000 2.314 6 Y HA 0.082 4.630 4.550 -0.003 0.000 0.293 6 Y C 2.275 178.233 175.900 0.096 0.000 1.129 6 Y CA 1.058 59.255 58.100 0.162 0.000 1.201 6 Y CB -0.361 38.212 38.460 0.189 0.000 0.999 6 Y HN 0.546 nan 8.280 nan 0.000 0.541 7 G N -0.299 108.682 108.800 0.300 0.000 2.402 7 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.216 7 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.216 7 G C 1.588 176.442 174.900 -0.077 0.000 1.162 7 G CA 0.916 45.997 45.100 -0.031 0.000 0.777 7 G HN 0.447 nan 8.290 nan 0.000 0.539 8 E N 0.506 120.720 120.200 0.022 0.000 2.072 8 E HA -0.028 4.320 4.350 -0.004 0.000 0.191 8 E C 2.768 179.363 176.600 -0.009 0.000 0.985 8 E CA 0.903 57.305 56.400 0.003 0.000 0.801 8 E CB -0.210 29.550 29.700 0.100 0.000 0.750 8 E HN 0.316 nan 8.360 nan 0.000 0.452 9 A N 1.315 124.107 122.820 -0.048 0.000 1.877 9 A HA -0.186 4.132 4.320 -0.004 0.000 0.216 9 A C 2.163 179.585 177.584 -0.270 0.000 1.186 9 A CA 1.427 53.220 52.037 -0.406 0.000 0.620 9 A CB -0.758 17.903 19.000 -0.565 0.000 0.822 9 A HN 0.388 nan 8.150 nan 0.000 0.443 10 L N 0.091 121.194 121.223 -0.201 0.000 2.012 10 L HA -0.241 4.097 4.340 -0.004 0.000 0.210 10 L C 2.656 179.470 176.870 -0.093 0.000 1.073 10 L CA 2.834 57.565 54.840 -0.182 0.000 0.748 10 L CB -0.800 41.135 42.059 -0.207 0.000 0.891 10 L HN 0.661 nan 8.230 nan 0.000 0.431 11 Q N -0.435 119.302 119.800 -0.105 0.000 2.061 11 Q HA -0.284 4.054 4.340 -0.004 0.000 0.204 11 Q C 2.159 178.146 176.000 -0.021 0.000 0.984 11 Q CA 2.232 57.989 55.803 -0.076 0.000 0.846 11 Q CB -0.179 28.477 28.738 -0.137 0.000 0.902 11 Q HN 0.562 nan 8.270 nan 0.000 0.421 12 K N 0.023 120.413 120.400 -0.017 0.000 2.103 12 K HA -0.067 4.251 4.320 -0.004 0.000 0.204 12 K C 2.360 179.068 176.600 0.179 0.000 1.052 12 K CA 1.108 57.468 56.287 0.121 0.000 0.945 12 K CB -0.141 32.452 32.500 0.154 0.000 0.722 12 K HN 0.120 nan 8.250 nan 0.000 0.443 13 S N 1.152 116.901 115.700 0.083 0.000 2.368 13 S HA -0.103 4.364 4.470 -0.004 0.000 0.225 13 S C 1.912 176.653 174.600 0.236 0.000 1.030 13 S CA 0.974 59.250 58.200 0.128 0.000 0.999 13 S CB -0.167 63.009 63.200 -0.039 0.000 0.844 13 S HN 0.181 nan 8.310 nan 0.000 0.459 14 I N 1.048 121.745 120.570 0.212 0.000 2.252 14 I HA -0.168 4.000 4.170 -0.004 0.000 0.245 14 I C 2.612 178.864 176.117 0.226 0.000 1.102 14 I CA 1.496 62.969 61.300 0.289 0.000 1.385 14 I CB -0.324 37.806 38.000 0.218 0.000 1.064 14 I HN 0.396 nan 8.210 nan 0.000 0.414 15 M N 0.288 119.962 119.600 0.123 0.000 2.202 15 M HA -0.265 4.212 4.480 -0.004 0.000 0.262 15 M C 2.289 178.534 176.300 -0.093 0.000 1.063 15 M CA 1.773 57.063 55.300 -0.018 0.000 1.097 15 M CB -0.202 32.444 32.600 0.077 0.000 1.382 15 M HN 0.265 nan 8.290 nan 0.000 0.413 16 F N 0.717 120.659 119.950 -0.014 0.000 2.115 16 F HA -0.301 4.224 4.527 -0.004 0.000 0.300 16 F C 1.353 177.000 175.800 -0.256 0.000 1.092 16 F CA 1.835 59.822 58.000 -0.020 0.000 1.245 16 F CB -0.982 37.896 39.000 -0.204 0.000 0.995 16 F HN 0.193 nan 8.300 nan 0.000 0.481 17 Y N 0.913 120.923 120.300 -0.482 0.000 2.274 17 Y HA -0.145 4.403 4.550 -0.003 0.000 0.290 17 Y C 2.415 177.959 175.900 -0.592 0.000 1.145 17 Y CA 1.647 59.234 58.100 -0.856 0.000 1.203 17 Y CB -0.951 37.026 38.460 -0.805 0.000 0.984 17 Y HN 0.234 nan 8.280 nan 0.000 0.533 18 E N -0.575 119.394 120.200 -0.385 0.000 2.153 18 E HA -0.186 4.162 4.350 -0.004 0.000 0.194 18 E C 1.554 177.804 176.600 -0.583 0.000 0.988 18 E CA 1.193 57.287 56.400 -0.510 0.000 0.811 18 E CB -0.424 28.910 29.700 -0.610 0.000 0.746 18 E HN 0.525 nan 8.360 nan 0.000 0.466 19 F N 0.656 120.416 119.950 -0.318 0.000 2.558 19 F HA -0.051 4.474 4.527 -0.003 0.000 0.298 19 F C 2.329 178.010 175.800 -0.198 0.000 1.119 19 F CA 0.158 57.950 58.000 -0.348 0.000 1.451 19 F CB 0.274 39.150 39.000 -0.207 0.000 1.091 19 F HN -0.089 nan 8.300 nan 0.000 0.563 20 Q N 0.420 120.134 119.800 -0.143 0.000 2.408 20 Q HA 0.094 4.431 4.340 -0.004 0.000 0.205 20 Q C 0.404 176.461 176.000 0.095 0.000 0.919 20 Q CA 0.198 56.000 55.803 -0.002 0.000 0.932 20 Q CB -0.037 28.513 28.738 -0.314 0.000 1.058 20 Q HN 0.361 nan 8.270 nan 0.000 0.517 21 R N 0.860 121.341 120.500 -0.032 0.000 2.538 21 R HA 0.124 4.461 4.340 -0.004 0.000 0.282 21 R C 0.296 176.476 176.300 -0.201 0.000 1.009 21 R CA 0.246 56.254 56.100 -0.154 0.000 1.063 21 R CB 0.413 30.291 30.300 -0.703 0.000 0.945 21 R HN -0.085 nan 8.270 nan 0.000 0.414 22 S N 1.116 116.648 115.700 -0.279 0.000 2.638 22 S HA 0.768 5.236 4.470 -0.004 0.000 0.298 22 S C 0.132 174.740 174.600 0.013 0.000 1.111 22 S CA 0.389 58.324 58.200 -0.441 0.000 1.027 22 S CB 1.553 64.163 63.200 -0.983 0.000 1.064 22 S HN 0.906 nan 8.310 nan 0.000 0.525 23 G N 2.359 111.174 108.800 0.025 0.000 2.548 23 G HA2 -0.111 3.847 3.960 -0.004 0.000 0.208 23 G HA3 -0.111 3.847 3.960 -0.004 0.000 0.208 23 G C -1.060 173.909 174.900 0.115 0.000 1.308 23 G CA -0.190 44.945 45.100 0.058 0.000 0.924 23 G HN 0.808 nan 8.290 nan 0.000 0.540 24 D N 1.245 121.703 120.400 0.097 0.000 2.359 24 D HA 0.420 5.058 4.640 -0.004 0.000 0.250 24 D C 1.138 177.569 176.300 0.217 0.000 1.264 24 D CA -0.075 53.982 54.000 0.095 0.000 0.911 24 D CB -0.199 40.617 40.800 0.026 0.000 1.056 24 D HN 0.537 nan 8.370 nan 0.000 0.499 25 L N 4.572 125.880 121.223 0.142 0.000 2.417 25 L HA 0.299 4.637 4.340 -0.004 0.000 0.268 25 L C -1.605 175.305 176.870 0.068 0.000 1.158 25 L CA -1.749 53.142 54.840 0.085 0.000 0.819 25 L CB 0.177 42.197 42.059 -0.065 0.000 1.112 25 L HN 0.257 nan 8.230 nan 0.000 0.458 26 P HA 0.033 nan 4.420 nan 0.000 0.269 26 P C 0.105 177.408 177.300 0.004 0.000 1.209 26 P CA -0.149 62.977 63.100 0.043 0.000 0.776 26 P CB 0.785 32.505 31.700 0.034 0.000 0.876 27 A N 2.488 125.316 122.820 0.012 0.000 1.969 27 A HA -0.170 4.148 4.320 -0.004 0.000 0.218 27 A C 1.401 178.985 177.584 0.001 0.000 1.169 27 A CA 1.777 53.818 52.037 0.007 0.000 0.635 27 A CB -1.286 17.720 19.000 0.010 0.000 0.810 27 A HN 0.687 nan 8.150 nan 0.000 0.445 28 D N -0.388 120.012 120.400 0.001 0.000 2.338 28 D HA 0.010 4.648 4.640 -0.004 0.000 0.239 28 D C 0.670 176.964 176.300 -0.010 0.000 1.095 28 D CA 0.096 54.096 54.000 0.001 0.000 0.888 28 D CB -0.515 40.288 40.800 0.005 0.000 0.899 28 D HN 0.393 nan 8.370 nan 0.000 0.525 29 K N 1.139 121.518 120.400 -0.035 0.000 2.527 29 K HA -0.051 4.267 4.320 -0.004 0.000 0.278 29 K C 0.679 177.246 176.600 -0.055 0.000 0.981 29 K CA -0.208 56.033 56.287 -0.075 0.000 1.009 29 K CB 0.457 32.899 32.500 -0.097 0.000 0.895 29 K HN 0.235 nan 8.250 nan 0.000 0.493 30 R N 1.717 122.169 120.500 -0.082 0.000 2.694 30 R HA 0.178 4.515 4.340 -0.004 0.000 0.334 30 R C -1.101 175.168 176.300 -0.051 0.000 1.143 30 R CA -0.498 55.564 56.100 -0.063 0.000 1.073 30 R CB -0.323 29.933 30.300 -0.073 0.000 1.366 30 R HN 0.625 nan 8.270 nan 0.000 0.577 31 D N -0.443 119.933 120.400 -0.040 0.000 2.570 31 D HA 0.122 4.760 4.640 -0.004 0.000 0.244 31 D C -0.277 176.049 176.300 0.043 0.000 1.178 31 D CA -1.050 52.970 54.000 0.033 0.000 0.881 31 D CB 0.925 41.675 40.800 -0.083 0.000 1.453 31 D HN 0.017 nan 8.370 nan 0.000 0.447 32 N N 0.437 119.259 118.700 0.204 0.000 2.299 32 N HA 0.081 4.818 4.740 -0.004 0.000 0.246 32 N C -0.237 175.489 175.510 0.359 0.000 1.254 32 N CA -0.710 52.489 53.050 0.248 0.000 0.879 32 N CB -0.198 38.469 38.487 0.300 0.000 1.214 32 N HN 0.815 nan 8.380 nan 0.000 0.510 33 W N -0.613 120.708 121.300 0.035 0.000 2.725 33 W HA 0.503 5.161 4.660 -0.003 0.000 0.336 33 W C -0.530 175.863 176.519 -0.210 0.000 1.012 33 W CA -0.400 56.806 57.345 -0.233 0.000 1.566 33 W CB 0.129 29.082 29.460 -0.844 0.000 1.068 33 W HN -0.191 nan 8.180 nan 0.000 0.546 34 R N 1.855 122.172 120.500 -0.305 0.000 2.589 34 R HA 0.488 4.826 4.340 -0.004 0.000 0.293 34 R C -0.905 175.332 176.300 -0.104 0.000 0.963 34 R CA -0.236 55.726 56.100 -0.230 0.000 0.905 34 R CB 2.045 32.122 30.300 -0.371 0.000 1.144 34 R HN -0.093 nan 8.270 nan 0.000 0.459 35 D N -0.486 119.891 120.400 -0.039 0.000 2.812 35 D HA 0.183 4.821 4.640 -0.004 0.000 0.318 35 D C -1.153 175.153 176.300 0.009 0.000 1.234 35 D CA -0.505 53.489 54.000 -0.010 0.000 0.989 35 D CB 1.354 42.167 40.800 0.021 0.000 1.442 35 D HN 0.209 nan 8.370 nan 0.000 0.537 36 D N 0.298 120.709 120.400 0.018 0.000 2.525 36 D HA 0.314 4.952 4.640 -0.004 0.000 0.235 36 D C -0.005 176.313 176.300 0.030 0.000 1.137 36 D CA 0.846 54.862 54.000 0.027 0.000 0.868 36 D CB 0.357 41.168 40.800 0.018 0.000 1.180 36 D HN 0.347 nan 8.370 nan 0.000 0.465 37 S N -0.987 114.741 115.700 0.048 0.000 2.587 37 S HA 0.574 5.042 4.470 -0.004 0.000 0.269 37 S C 0.534 175.180 174.600 0.075 0.000 1.154 37 S CA -0.409 57.826 58.200 0.058 0.000 0.824 37 S CB 1.511 64.781 63.200 0.116 0.000 1.118 37 S HN 0.868 nan 8.310 nan 0.000 0.462 38 G N 1.087 109.922 108.800 0.058 0.000 2.341 38 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.292 38 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.292 38 G C 0.676 175.567 174.900 -0.014 0.000 1.021 38 G CA 0.588 45.714 45.100 0.043 0.000 0.905 38 G HN 0.726 nan 8.290 nan 0.000 0.508 39 M N -1.070 118.512 119.600 -0.029 0.000 2.557 39 M HA 0.068 4.545 4.480 -0.004 0.000 0.259 39 M C 1.942 178.205 176.300 -0.062 0.000 1.086 39 M CA 1.224 56.498 55.300 -0.043 0.000 1.096 39 M CB -0.389 32.189 32.600 -0.037 0.000 1.424 39 M HN 0.405 nan 8.290 nan 0.000 0.488 40 K N -0.090 120.267 120.400 -0.071 0.000 2.414 40 K HA 0.109 4.427 4.320 -0.004 0.000 0.204 40 K C -0.524 176.017 176.600 -0.097 0.000 1.026 40 K CA -0.270 55.966 56.287 -0.085 0.000 1.108 40 K CB 0.504 32.950 32.500 -0.089 0.000 0.855 40 K HN 0.090 nan 8.250 nan 0.000 0.517 41 D N 1.364 121.711 120.400 -0.088 0.000 2.472 41 D HA 0.042 4.680 4.640 -0.004 0.000 0.248 41 D C 1.266 177.483 176.300 -0.138 0.000 1.174 41 D CA 1.335 55.277 54.000 -0.097 0.000 0.883 41 D CB 0.839 41.600 40.800 -0.065 0.000 1.149 41 D HN 0.444 nan 8.370 nan 0.000 0.488 42 G N 1.887 110.576 108.800 -0.186 0.000 2.175 42 G HA2 -0.355 3.602 3.960 -0.004 0.000 0.244 42 G HA3 -0.355 3.602 3.960 -0.004 0.000 0.244 42 G C 1.337 176.100 174.900 -0.227 0.000 0.982 42 G CA 0.737 45.675 45.100 -0.271 0.000 0.641 42 G HN 0.587 nan 8.290 nan 0.000 0.527 43 S N 1.243 116.842 115.700 -0.168 0.000 2.419 43 S HA -0.126 4.342 4.470 -0.004 0.000 0.233 43 S C 1.916 176.436 174.600 -0.135 0.000 1.016 43 S CA 1.786 59.904 58.200 -0.136 0.000 0.974 43 S CB -0.331 62.803 63.200 -0.111 0.000 0.786 43 S HN 0.786 nan 8.310 nan 0.000 0.492 44 D N 2.255 122.563 120.400 -0.153 0.000 2.264 44 D HA -0.102 4.536 4.640 -0.004 0.000 0.208 44 D C 1.661 177.880 176.300 -0.135 0.000 0.966 44 D CA 1.354 55.270 54.000 -0.141 0.000 0.864 44 D CB -0.477 40.225 40.800 -0.163 0.000 0.933 44 D HN 0.648 nan 8.370 nan 0.000 0.499 45 V N -4.593 115.220 119.914 -0.169 0.000 3.380 45 V HA 0.587 4.705 4.120 -0.004 0.000 0.307 45 V C 1.366 177.386 176.094 -0.123 0.000 1.434 45 V CA 0.090 62.311 62.300 -0.132 0.000 1.075 45 V CB -0.127 31.608 31.823 -0.146 0.000 0.954 45 V HN 0.272 nan 8.190 nan 0.000 0.444 46 G N 0.510 109.231 108.800 -0.133 0.000 2.176 46 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.252 46 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.252 46 G C -0.080 174.745 174.900 -0.125 0.000 1.024 46 G CA 0.331 45.367 45.100 -0.107 0.000 0.755 46 G HN 0.994 nan 8.290 nan 0.000 0.507 47 V N 0.053 119.850 119.914 -0.195 0.000 2.656 47 V HA 0.522 4.639 4.120 -0.004 0.000 0.307 47 V C -0.161 175.805 176.094 -0.213 0.000 1.051 47 V CA -0.824 61.351 62.300 -0.209 0.000 0.893 47 V CB 2.038 33.672 31.823 -0.314 0.000 0.999 47 V HN 0.326 nan 8.190 nan 0.000 0.426 48 D N 4.092 124.395 120.400 -0.163 0.000 2.344 48 D HA 0.214 4.852 4.640 -0.004 0.000 0.253 48 D C 0.218 176.420 176.300 -0.164 0.000 1.255 48 D CA 0.255 54.167 54.000 -0.148 0.000 0.894 48 D CB 0.625 41.352 40.800 -0.122 0.000 1.067 48 D HN 0.478 nan 8.370 nan 0.000 0.492 49 L N 3.548 124.677 121.223 -0.157 0.000 3.110 49 L HA 0.152 4.490 4.340 -0.004 0.000 0.266 49 L C 0.884 177.762 176.870 0.012 0.000 1.257 49 L CA -0.419 54.362 54.840 -0.098 0.000 1.038 49 L CB 0.060 42.029 42.059 -0.150 0.000 1.395 49 L HN 0.378 nan 8.230 nan 0.000 0.566 50 T N -2.028 112.485 114.554 -0.067 0.000 2.860 50 T HA 0.652 5.000 4.350 -0.004 0.000 0.299 50 T C 0.650 175.257 174.700 -0.156 0.000 1.045 50 T CA 0.383 62.425 62.100 -0.098 0.000 1.071 50 T CB 2.009 70.812 68.868 -0.109 0.000 0.985 50 T HN 0.439 nan 8.240 nan 0.000 0.537 51 G N -0.122 108.528 108.800 -0.249 0.000 2.466 51 G HA2 0.456 4.414 3.960 -0.004 0.000 0.316 51 G HA3 0.456 4.414 3.960 -0.004 0.000 0.316 51 G C 0.214 174.730 174.900 -0.641 0.000 1.270 51 G CA 0.018 44.845 45.100 -0.455 0.000 0.982 51 G HN 2.658 nan 8.290 nan 0.000 0.506 52 G N -2.307 106.012 108.800 -0.803 0.000 2.741 52 G HA2 0.180 4.138 3.960 -0.004 0.000 0.222 52 G HA3 0.180 4.138 3.960 -0.004 0.000 0.222 52 G C -0.241 174.438 174.900 -0.370 0.000 1.364 52 G CA 0.469 45.016 45.100 -0.922 0.000 0.866 52 G HN 1.756 nan 8.290 nan 0.000 0.555 53 W N -0.729 120.425 121.300 -0.242 0.000 2.666 53 W HA 0.602 5.260 4.660 -0.003 0.000 0.334 53 W C -0.408 176.018 176.519 -0.155 0.000 1.051 53 W CA -1.473 55.778 57.345 -0.157 0.000 1.224 53 W CB 0.983 30.467 29.460 0.040 0.000 1.405 53 W HN 0.474 nan 8.180 nan 0.000 0.513 54 Y N 1.423 121.885 120.300 0.269 0.000 2.497 54 Y HA -0.101 4.447 4.550 -0.004 0.000 0.334 54 Y C 1.652 177.683 175.900 0.219 0.000 1.199 54 Y CA 0.347 58.558 58.100 0.185 0.000 1.425 54 Y CB 0.175 38.743 38.460 0.181 0.000 1.291 54 Y HN 0.423 nan 8.280 nan 0.000 0.562 55 D N 1.359 121.997 120.400 0.397 0.000 2.084 55 D HA -0.067 4.571 4.640 -0.004 0.000 0.194 55 D C 1.040 177.532 176.300 0.320 0.000 0.990 55 D CA 2.027 56.253 54.000 0.377 0.000 0.826 55 D CB 0.321 41.429 40.800 0.513 0.000 0.971 55 D HN 0.633 nan 8.370 nan 0.000 0.453 56 A N -1.472 121.513 122.820 0.274 0.000 2.770 56 A HA 0.582 4.900 4.320 -0.004 0.000 0.183 56 A C 1.479 179.145 177.584 0.137 0.000 1.077 56 A CA 0.174 52.351 52.037 0.234 0.000 1.468 56 A CB -0.286 18.833 19.000 0.198 0.000 2.037 56 A HN 0.137 nan 8.150 nan 0.000 0.730 57 G N 0.707 109.542 108.800 0.057 0.000 3.141 57 G HA2 0.368 4.325 3.960 -0.004 0.000 0.218 57 G HA3 0.368 4.325 3.960 -0.004 0.000 0.218 57 G C -0.025 174.542 174.900 -0.555 0.000 1.170 57 G CA 0.943 45.884 45.100 -0.264 0.000 0.769 57 G HN 0.717 nan 8.290 nan 0.000 0.546 58 D N -1.584 118.586 120.400 -0.383 0.000 2.616 58 D HA 0.298 4.936 4.640 -0.004 0.000 0.260 58 D C -0.222 175.673 176.300 -0.675 0.000 1.158 58 D CA -0.995 52.706 54.000 -0.498 0.000 1.085 58 D CB 0.473 41.260 40.800 -0.021 0.000 1.222 58 D HN 0.187 nan 8.370 nan 0.000 0.626 59 H N -1.695 117.281 119.070 -0.156 0.000 2.567 59 H HA 0.409 4.962 4.556 -0.004 0.000 0.267 59 H C -0.468 174.842 175.328 -0.030 0.000 1.148 59 H CA -0.503 55.309 56.048 -0.393 0.000 1.031 59 H CB 0.844 30.218 29.762 -0.646 0.000 1.691 59 H HN -0.046 nan 8.280 nan 0.000 0.588 60 V N 1.395 121.317 119.914 0.013 0.000 2.732 60 V HA 0.099 4.217 4.120 -0.004 0.000 0.297 60 V C 0.312 176.329 176.094 -0.128 0.000 1.060 60 V CA -0.445 61.714 62.300 -0.235 0.000 1.038 60 V CB 1.508 32.827 31.823 -0.839 0.000 1.003 60 V HN 0.310 nan 8.190 nan 0.000 0.481 61 K N 4.031 124.338 120.400 -0.155 0.000 2.292 61 K HA 0.452 4.770 4.320 -0.004 0.000 0.270 61 K C -1.323 175.269 176.600 -0.013 0.000 1.062 61 K CA -0.041 56.235 56.287 -0.018 0.000 0.916 61 K CB 0.595 33.058 32.500 -0.062 0.000 1.166 61 K HN 0.424 nan 8.250 nan 0.000 0.458 62 F N 2.200 122.259 119.950 0.182 0.000 2.334 62 F HA 0.242 4.766 4.527 -0.004 0.000 0.367 62 F C 1.207 177.141 175.800 0.224 0.000 1.115 62 F CA -0.708 57.391 58.000 0.164 0.000 1.116 62 F CB 0.761 39.745 39.000 -0.027 0.000 1.230 62 F HN 0.542 nan 8.300 nan 0.000 0.484 63 N N 1.942 120.975 118.700 0.555 0.000 2.381 63 N HA -0.164 4.574 4.740 -0.004 0.000 0.182 63 N C 1.846 177.587 175.510 0.385 0.000 1.025 63 N CA 0.349 53.738 53.050 0.565 0.000 0.888 63 N CB 0.197 39.046 38.487 0.604 0.000 0.965 63 N HN 0.444 nan 8.380 nan 0.000 0.438 64 L N 2.422 123.838 121.223 0.322 0.000 1.988 64 L HA -0.009 4.329 4.340 -0.004 0.000 0.207 64 L C -1.061 175.944 176.870 0.226 0.000 1.071 64 L CA 1.989 56.964 54.840 0.226 0.000 0.744 64 L CB -1.327 40.877 42.059 0.242 0.000 0.893 64 L HN 0.011 nan 8.230 nan 0.000 0.433 65 P HA -0.183 nan 4.420 nan 0.000 0.218 65 P C 2.107 179.629 177.300 0.369 0.000 1.149 65 P CA 1.629 64.758 63.100 0.050 0.000 0.817 65 P CB -0.241 31.121 31.700 -0.563 0.000 0.785 66 M N 0.296 120.131 119.600 0.392 0.000 2.117 66 M HA -0.133 4.345 4.480 -0.004 0.000 0.262 66 M C 2.015 178.752 176.300 0.728 0.000 1.065 66 M CA 2.423 58.103 55.300 0.634 0.000 1.114 66 M CB -0.321 32.697 32.600 0.696 0.000 1.361 66 M HN 0.001 nan 8.290 nan 0.000 0.408 67 S N -0.790 115.217 115.700 0.512 0.000 2.414 67 S HA -0.175 4.293 4.470 -0.004 0.000 0.227 67 S C 1.800 176.604 174.600 0.339 0.000 1.022 67 S CA 0.732 59.068 58.200 0.226 0.000 0.958 67 S CB -1.053 61.925 63.200 -0.369 0.000 0.797 67 S HN 0.682 nan 8.310 nan 0.000 0.493 68 Y N 3.178 123.665 120.300 0.312 0.000 2.128 68 Y HA -0.156 4.391 4.550 -0.004 0.000 0.284 68 Y C 2.387 178.522 175.900 0.392 0.000 1.154 68 Y CA 2.056 60.374 58.100 0.364 0.000 1.149 68 Y CB -1.147 37.538 38.460 0.374 0.000 0.976 68 Y HN 0.250 nan 8.280 nan 0.000 0.505 69 T N 0.065 114.857 114.554 0.396 0.000 2.652 69 T HA -0.228 4.120 4.350 -0.004 0.000 0.267 69 T C 2.101 176.924 174.700 0.204 0.000 1.039 69 T CA 2.367 64.633 62.100 0.278 0.000 1.153 69 T CB -0.736 68.409 68.868 0.461 0.000 0.863 69 T HN 0.619 nan 8.240 nan 0.000 0.428 70 S N 1.998 117.927 115.700 0.382 0.000 2.402 70 S HA 0.045 4.513 4.470 -0.004 0.000 0.229 70 S C 2.412 177.083 174.600 0.118 0.000 1.021 70 S CA 0.861 59.239 58.200 0.296 0.000 0.974 70 S CB -0.612 62.793 63.200 0.342 0.000 0.800 70 S HN 0.516 nan 8.310 nan 0.000 0.484 71 A N 2.229 125.102 122.820 0.088 0.000 1.930 71 A HA 0.081 4.398 4.320 -0.004 0.000 0.217 71 A C 2.310 179.928 177.584 0.056 0.000 1.175 71 A CA 1.561 53.559 52.037 -0.066 0.000 0.627 71 A CB -0.603 18.440 19.000 0.071 0.000 0.815 71 A HN 0.458 nan 8.150 nan 0.000 0.443 72 M N -0.462 119.209 119.600 0.119 0.000 2.175 72 M HA 0.001 4.479 4.480 -0.004 0.000 0.264 72 M C 2.118 178.488 176.300 0.117 0.000 1.063 72 M CA 1.151 56.578 55.300 0.211 0.000 1.119 72 M CB -1.259 31.299 32.600 -0.071 0.000 1.377 72 M HN 0.394 nan 8.290 nan 0.000 0.415 73 L N -0.386 120.857 121.223 0.033 0.000 2.056 73 L HA -0.138 4.200 4.340 -0.004 0.000 0.207 73 L C 2.732 179.613 176.870 0.019 0.000 1.078 73 L CA 1.098 55.935 54.840 -0.006 0.000 0.749 73 L CB -0.931 41.114 42.059 -0.024 0.000 0.901 73 L HN 0.244 nan 8.230 nan 0.000 0.433 74 A N -0.559 122.272 122.820 0.018 0.000 1.902 74 A HA -0.262 4.056 4.320 -0.004 0.000 0.217 74 A C 2.041 179.706 177.584 0.134 0.000 1.181 74 A CA 1.371 53.400 52.037 -0.013 0.000 0.623 74 A CB -0.980 17.918 19.000 -0.171 0.000 0.818 74 A HN 0.624 nan 8.150 nan 0.000 0.443 75 W N 1.135 122.413 121.300 -0.036 0.000 2.338 75 W HA -0.173 4.485 4.660 -0.004 0.000 0.304 75 W C 2.646 179.468 176.519 0.505 0.000 1.212 75 W CA 1.403 58.956 57.345 0.345 0.000 1.264 75 W CB -0.930 28.885 29.460 0.591 0.000 1.142 75 W HN 0.345 nan 8.180 nan 0.000 0.512 76 S N 0.018 115.949 115.700 0.386 0.000 2.368 76 S HA -0.221 4.247 4.470 -0.004 0.000 0.225 76 S C 1.992 176.813 174.600 0.368 0.000 1.030 76 S CA 1.599 59.961 58.200 0.269 0.000 0.999 76 S CB -0.773 62.435 63.200 0.012 0.000 0.844 76 S HN 0.191 nan 8.310 nan 0.000 0.459 77 L N 0.746 122.076 121.223 0.179 0.000 2.131 77 L HA 0.021 4.359 4.340 -0.004 0.000 0.210 77 L C 2.018 179.044 176.870 0.260 0.000 1.092 77 L CA 1.970 56.841 54.840 0.052 0.000 0.759 77 L CB -1.164 40.776 42.059 -0.198 0.000 0.903 77 L HN 0.567 nan 8.230 nan 0.000 0.435 78 Y N 0.223 120.668 120.300 0.242 0.000 2.200 78 Y HA -0.161 4.387 4.550 -0.004 0.000 0.290 78 Y C 2.317 178.406 175.900 0.315 0.000 1.137 78 Y CA 1.948 60.230 58.100 0.303 0.000 1.163 78 Y CB -0.017 38.734 38.460 0.484 0.000 0.988 78 Y HN 0.280 nan 8.280 nan 0.000 0.518 79 E N -0.432 119.984 120.200 0.359 0.000 2.158 79 E HA -0.084 4.264 4.350 -0.004 0.000 0.191 79 E C 0.173 176.858 176.600 0.142 0.000 0.982 79 E CA 1.128 57.633 56.400 0.174 0.000 0.823 79 E CB 0.038 29.890 29.700 0.254 0.000 0.766 79 E HN 0.583 nan 8.360 nan 0.000 0.468 80 D N 0.240 120.783 120.400 0.239 0.000 2.945 80 D HA 0.048 4.686 4.640 -0.004 0.000 0.366 80 D C 1.001 177.481 176.300 0.300 0.000 1.352 80 D CA -0.082 54.049 54.000 0.219 0.000 0.810 80 D CB 0.713 41.627 40.800 0.190 0.000 1.170 80 D HN 0.023 nan 8.370 nan 0.000 0.461 81 K N 1.424 121.976 120.400 0.253 0.000 2.113 81 K HA -0.197 4.121 4.320 -0.004 0.000 0.208 81 K C 1.539 178.268 176.600 0.214 0.000 1.047 81 K CA 1.810 58.249 56.287 0.254 0.000 0.928 81 K CB 0.271 32.851 32.500 0.133 0.000 0.716 81 K HN 0.089 nan 8.250 nan 0.000 0.446 82 D N 0.397 120.883 120.400 0.144 0.000 2.182 82 D HA -0.190 4.448 4.640 -0.004 0.000 0.201 82 D C 1.672 178.049 176.300 0.129 0.000 0.986 82 D CA 1.487 55.555 54.000 0.115 0.000 0.847 82 D CB -0.339 40.510 40.800 0.081 0.000 0.942 82 D HN 0.303 nan 8.370 nan 0.000 0.467 83 A N -0.122 122.763 122.820 0.108 0.000 1.898 83 A HA -0.116 4.202 4.320 -0.004 0.000 0.216 83 A C 2.142 179.700 177.584 -0.044 0.000 1.181 83 A CA 1.021 53.114 52.037 0.093 0.000 0.620 83 A CB -1.074 17.911 19.000 -0.025 0.000 0.819 83 A HN 0.244 nan 8.150 nan 0.000 0.442 84 Y N 0.761 121.112 120.300 0.084 0.000 2.181 84 Y HA -0.186 4.361 4.550 -0.004 0.000 0.288 84 Y C 2.318 178.239 175.900 0.035 0.000 1.146 84 Y CA 1.534 59.653 58.100 0.031 0.000 1.164 84 Y CB -0.354 38.125 38.460 0.030 0.000 0.982 84 Y HN 0.301 nan 8.280 nan 0.000 0.515 85 D N 0.037 120.552 120.400 0.193 0.000 2.097 85 D HA -0.184 4.454 4.640 -0.004 0.000 0.195 85 D C 2.071 178.439 176.300 0.112 0.000 0.989 85 D CA 1.359 55.435 54.000 0.127 0.000 0.827 85 D CB -0.331 40.532 40.800 0.104 0.000 0.966 85 D HN 0.252 nan 8.370 nan 0.000 0.456 86 K N 0.696 121.180 120.400 0.139 0.000 2.097 86 K HA -0.119 4.199 4.320 -0.004 0.000 0.206 86 K C 1.985 178.684 176.600 0.164 0.000 1.049 86 K CA 1.552 57.945 56.287 0.176 0.000 0.933 86 K CB 0.053 32.704 32.500 0.251 0.000 0.717 86 K HN 0.131 nan 8.250 nan 0.000 0.442 87 S N -1.077 114.639 115.700 0.027 0.000 2.522 87 S HA 0.078 4.546 4.470 -0.004 0.000 0.227 87 S C 1.323 175.896 174.600 -0.045 0.000 0.986 87 S CA 0.572 58.642 58.200 -0.217 0.000 0.929 87 S CB 0.107 62.885 63.200 -0.704 0.000 0.769 87 S HN 0.534 nan 8.310 nan 0.000 0.529 88 G N 1.109 109.938 108.800 0.048 0.000 2.143 88 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.248 88 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.248 88 G C 0.582 175.594 174.900 0.187 0.000 0.991 88 G CA 0.363 45.526 45.100 0.104 0.000 0.689 88 G HN 0.500 nan 8.290 nan 0.000 0.522 89 Q N -0.245 119.671 119.800 0.194 0.000 2.319 89 Q HA 0.142 4.480 4.340 -0.004 0.000 0.202 89 Q C 2.249 178.435 176.000 0.310 0.000 0.896 89 Q CA 0.975 56.985 55.803 0.345 0.000 0.942 89 Q CB -0.170 28.723 28.738 0.259 0.000 1.083 89 Q HN 0.525 nan 8.270 nan 0.000 0.510 90 T N 1.445 116.115 114.554 0.194 0.000 2.665 90 T HA -0.208 4.139 4.350 -0.004 0.000 0.268 90 T C 1.773 176.436 174.700 -0.061 0.000 1.035 90 T CA 1.798 63.934 62.100 0.062 0.000 1.151 90 T CB 0.030 68.922 68.868 0.040 0.000 0.862 90 T HN 0.341 nan 8.240 nan 0.000 0.438 91 K N 0.062 120.378 120.400 -0.141 0.000 2.032 91 K HA -0.160 4.158 4.320 -0.004 0.000 0.209 91 K C 2.061 178.498 176.600 -0.271 0.000 1.048 91 K CA 1.539 57.657 56.287 -0.282 0.000 0.927 91 K CB -0.335 31.876 32.500 -0.482 0.000 0.712 91 K HN 0.462 nan 8.250 nan 0.000 0.441 92 Y N 0.597 120.911 120.300 0.023 0.000 2.181 92 Y HA -0.178 4.370 4.550 -0.003 0.000 0.288 92 Y C 2.339 178.262 175.900 0.040 0.000 1.146 92 Y CA 1.316 59.435 58.100 0.033 0.000 1.164 92 Y CB -0.206 38.281 38.460 0.046 0.000 0.982 92 Y HN 0.108 nan 8.280 nan 0.000 0.515 93 I N -0.436 120.218 120.570 0.139 0.000 2.439 93 I HA -0.279 3.889 4.170 -0.004 0.000 0.251 93 I C 2.015 178.140 176.117 0.013 0.000 1.139 93 I CA 1.219 62.541 61.300 0.037 0.000 1.438 93 I CB -0.028 37.863 38.000 -0.181 0.000 1.085 93 I HN 0.256 nan 8.210 nan 0.000 0.427 94 M N 0.026 119.601 119.600 -0.042 0.000 2.175 94 M HA -0.198 4.280 4.480 -0.004 0.000 0.264 94 M C 1.624 178.050 176.300 0.211 0.000 1.063 94 M CA 1.553 56.852 55.300 -0.002 0.000 1.119 94 M CB -0.511 31.951 32.600 -0.230 0.000 1.377 94 M HN 0.159 nan 8.290 nan 0.000 0.415 95 D N 0.334 120.812 120.400 0.128 0.000 2.144 95 D HA -0.093 4.545 4.640 -0.004 0.000 0.199 95 D C 2.013 178.442 176.300 0.214 0.000 0.984 95 D CA 1.542 55.631 54.000 0.149 0.000 0.834 95 D CB -0.531 40.321 40.800 0.085 0.000 0.955 95 D HN 0.424 nan 8.370 nan 0.000 0.465 96 G N 0.780 109.722 108.800 0.236 0.000 2.421 96 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.216 96 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.216 96 G C 1.809 176.894 174.900 0.308 0.000 1.171 96 G CA 0.363 45.688 45.100 0.375 0.000 0.775 96 G HN 0.267 nan 8.290 nan 0.000 0.543 97 I N 0.457 121.172 120.570 0.243 0.000 2.208 97 I HA -0.185 3.983 4.170 -0.004 0.000 0.245 97 I C 2.710 178.888 176.117 0.102 0.000 1.097 97 I CA 1.584 63.002 61.300 0.197 0.000 1.363 97 I CB -0.155 38.010 38.000 0.275 0.000 1.051 97 I HN 0.155 nan 8.210 nan 0.000 0.413 98 K N 0.401 120.876 120.400 0.124 0.000 2.097 98 K HA -0.232 4.086 4.320 -0.004 0.000 0.205 98 K C 2.239 178.742 176.600 -0.162 0.000 1.050 98 K CA 1.215 57.442 56.287 -0.100 0.000 0.938 98 K CB -0.257 32.091 32.500 -0.253 0.000 0.718 98 K HN 0.421 nan 8.250 nan 0.000 0.442 99 W N 1.232 122.368 121.300 -0.273 0.000 2.335 99 W HA -0.247 4.411 4.660 -0.003 0.000 0.311 99 W C 1.813 177.936 176.519 -0.659 0.000 1.213 99 W CA 2.148 59.247 57.345 -0.410 0.000 1.274 99 W CB -0.320 28.911 29.460 -0.381 0.000 1.148 99 W HN 0.229 nan 8.180 nan 0.000 0.498 100 A N 0.662 123.037 122.820 -0.741 0.000 1.873 100 A HA -0.221 4.097 4.320 -0.004 0.000 0.215 100 A C 1.821 178.841 177.584 -0.941 0.000 1.186 100 A CA 1.644 53.045 52.037 -1.060 0.000 0.616 100 A CB -1.171 17.183 19.000 -1.077 0.000 0.823 100 A HN 0.354 nan 8.150 nan 0.000 0.442 101 N N 0.232 118.671 118.700 -0.435 0.000 2.244 101 N HA -0.122 4.616 4.740 -0.004 0.000 0.183 101 N C 0.853 176.236 175.510 -0.213 0.000 1.016 101 N CA 1.349 54.293 53.050 -0.176 0.000 0.866 101 N CB -0.321 38.174 38.487 0.012 0.000 0.980 101 N HN 0.391 nan 8.380 nan 0.000 0.430 102 D N 0.143 120.383 120.400 -0.268 0.000 2.144 102 D HA -0.158 4.480 4.640 -0.004 0.000 0.199 102 D C 1.747 177.844 176.300 -0.339 0.000 0.984 102 D CA 0.704 54.542 54.000 -0.270 0.000 0.834 102 D CB -0.274 40.292 40.800 -0.389 0.000 0.955 102 D HN 0.364 nan 8.370 nan 0.000 0.465 103 Y N 0.499 120.433 120.300 -0.610 0.000 2.184 103 Y HA -0.181 4.367 4.550 -0.003 0.000 0.290 103 Y C 1.859 177.566 175.900 -0.323 0.000 1.129 103 Y CA 1.273 59.042 58.100 -0.552 0.000 1.144 103 Y CB -0.538 37.492 38.460 -0.716 0.000 0.995 103 Y HN -0.187 nan 8.280 nan 0.000 0.513 104 F N 0.323 120.089 119.950 -0.306 0.000 2.161 104 F HA -0.202 4.323 4.527 -0.004 0.000 0.300 104 F C 2.334 177.994 175.800 -0.233 0.000 1.089 104 F CA 1.118 58.971 58.000 -0.246 0.000 1.282 104 F CB -1.228 37.745 39.000 -0.045 0.000 1.010 104 F HN 0.103 nan 8.300 nan 0.000 0.485 105 I N 0.023 120.492 120.570 -0.168 0.000 2.226 105 I HA -0.319 3.849 4.170 -0.004 0.000 0.245 105 I C 2.320 178.222 176.117 -0.358 0.000 1.100 105 I CA 1.444 62.486 61.300 -0.430 0.000 1.374 105 I CB -0.419 37.305 38.000 -0.461 0.000 1.057 105 I HN 0.075 nan 8.210 nan 0.000 0.413 106 K N -0.121 120.105 120.400 -0.290 0.000 2.147 106 K HA -0.153 4.165 4.320 -0.004 0.000 0.205 106 K C 2.014 178.506 176.600 -0.180 0.000 1.049 106 K CA 1.329 57.478 56.287 -0.230 0.000 0.936 106 K CB -0.300 32.058 32.500 -0.238 0.000 0.722 106 K HN 0.397 nan 8.250 nan 0.000 0.446 107 C N 1.074 120.238 119.300 -0.227 0.000 2.491 107 C HA -0.017 4.441 4.460 -0.004 0.000 0.277 107 C C 1.173 176.254 174.990 0.151 0.000 1.455 107 C CA 0.104 59.055 59.018 -0.112 0.000 1.758 107 C CB -1.493 26.047 27.740 -0.334 0.000 1.745 107 C HN 0.417 nan 8.230 nan 0.000 0.558 108 N N 0.860 119.658 118.700 0.163 0.000 2.914 108 N HA 0.102 4.840 4.740 -0.004 0.000 0.304 108 N C -1.631 173.992 175.510 0.187 0.000 1.727 108 N CA -0.983 52.221 53.050 0.257 0.000 0.986 108 N CB 0.819 39.495 38.487 0.315 0.000 1.297 108 N HN 0.268 nan 8.380 nan 0.000 0.490 109 P HA -0.055 nan 4.420 nan 0.000 0.219 109 P C 0.307 177.676 177.300 0.115 0.000 1.146 109 P CA 1.174 64.343 63.100 0.115 0.000 0.808 109 P CB 0.411 32.179 31.700 0.114 0.000 0.779 110 T N -1.377 113.249 114.554 0.119 0.000 2.932 110 T HA 0.452 4.800 4.350 -0.004 0.000 0.318 110 T C -3.113 171.630 174.700 0.071 0.000 1.265 110 T CA -2.030 60.119 62.100 0.081 0.000 1.036 110 T CB 1.384 70.288 68.868 0.060 0.000 1.209 110 T HN -0.343 nan 8.240 nan 0.000 0.484 111 P HA 0.266 nan 4.420 nan 0.000 0.261 111 P C 0.834 178.149 177.300 0.024 0.000 1.183 111 P CA 1.473 64.587 63.100 0.024 0.000 0.761 111 P CB 0.225 31.926 31.700 0.003 0.000 0.785 112 G N 1.294 110.108 108.800 0.025 0.000 2.176 112 G HA2 -0.185 3.772 3.960 -0.004 0.000 0.253 112 G HA3 -0.185 3.772 3.960 -0.004 0.000 0.253 112 G C -0.066 174.845 174.900 0.018 0.000 0.979 112 G CA -0.156 44.952 45.100 0.013 0.000 0.641 112 G HN 0.542 nan 8.290 nan 0.000 0.530 113 V N 0.396 120.333 119.914 0.039 0.000 2.487 113 V HA 0.698 4.815 4.120 -0.004 0.000 0.298 113 V C -0.790 175.349 176.094 0.075 0.000 1.028 113 V CA -0.962 61.338 62.300 0.001 0.000 0.860 113 V CB 1.845 33.651 31.823 -0.029 0.000 0.991 113 V HN 0.403 nan 8.190 nan 0.000 0.427 114 Y N 5.042 125.256 120.300 -0.143 0.000 2.331 114 Y HA 0.571 5.119 4.550 -0.004 0.000 0.326 114 Y C -1.105 174.739 175.900 -0.093 0.000 1.020 114 Y CA -1.372 56.690 58.100 -0.063 0.000 1.136 114 Y CB 1.271 39.734 38.460 0.005 0.000 1.157 114 Y HN 0.612 nan 8.280 nan 0.000 0.444 115 Y N 6.669 126.687 120.300 -0.470 0.000 2.393 115 Y HA 0.123 4.671 4.550 -0.004 0.000 0.338 115 Y C 0.418 175.900 175.900 -0.697 0.000 1.029 115 Y CA 0.202 58.057 58.100 -0.408 0.000 1.239 115 Y CB 0.427 38.706 38.460 -0.300 0.000 1.170 115 Y HN 0.701 nan 8.280 nan 0.000 0.515 116 Y N -0.127 120.039 120.300 -0.224 0.000 2.481 116 Y HA 0.435 4.982 4.550 -0.004 0.000 0.247 116 Y C 0.011 176.058 175.900 0.244 0.000 1.151 116 Y CA -0.541 57.537 58.100 -0.036 0.000 1.238 116 Y CB 0.385 38.987 38.460 0.237 0.000 1.179 116 Y HN 0.546 nan 8.280 nan 0.000 0.524 117 Q N 0.689 120.430 119.800 -0.099 0.000 2.479 117 Q HA 0.598 4.936 4.340 -0.004 0.000 0.276 117 Q C -2.453 173.592 176.000 0.075 0.000 0.989 117 Q CA -0.814 55.005 55.803 0.028 0.000 0.864 117 Q CB 2.707 31.394 28.738 -0.085 0.000 1.444 117 Q HN 0.076 nan 8.270 nan 0.000 0.388 118 V N 2.343 122.290 119.914 0.055 0.000 2.524 118 V HA 0.920 5.038 4.120 -0.004 0.000 0.297 118 V C -0.039 176.038 176.094 -0.028 0.000 1.035 118 V CA 0.332 62.642 62.300 0.017 0.000 0.867 118 V CB 1.236 33.067 31.823 0.014 0.000 1.004 118 V HN 1.036 nan 8.190 nan 0.000 0.426 119 G N 3.707 112.512 108.800 0.008 0.000 2.592 119 G HA2 0.132 4.090 3.960 -0.004 0.000 0.685 119 G HA3 0.132 4.090 3.960 -0.004 0.000 0.685 119 G C -1.426 173.474 174.900 -0.000 0.000 1.278 119 G CA -0.488 44.590 45.100 -0.038 0.000 0.822 119 G HN 0.919 nan 8.290 nan 0.000 0.652 120 D N 0.141 120.532 120.400 -0.016 0.000 2.303 120 D HA 0.596 5.234 4.640 -0.004 0.000 0.236 120 D C 1.519 177.708 176.300 -0.185 0.000 1.068 120 D CA 0.783 54.771 54.000 -0.020 0.000 0.830 120 D CB 1.047 41.889 40.800 0.071 0.000 1.109 120 D HN 0.731 nan 8.370 nan 0.000 0.496 121 G N 3.026 111.627 108.800 -0.333 0.000 2.476 121 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.218 121 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.218 121 G C 1.361 176.013 174.900 -0.413 0.000 1.164 121 G CA 0.867 45.520 45.100 -0.744 0.000 0.768 121 G HN 0.626 nan 8.290 nan 0.000 0.560 122 G N 0.672 109.445 108.800 -0.044 0.000 2.459 122 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.217 122 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.217 122 G C 1.847 176.791 174.900 0.075 0.000 1.183 122 G CA 1.252 46.397 45.100 0.075 0.000 0.776 122 G HN 0.492 nan 8.290 nan 0.000 0.552 123 K N 0.076 120.501 120.400 0.043 0.000 2.057 123 K HA -0.060 4.258 4.320 -0.004 0.000 0.206 123 K C 2.208 178.868 176.600 0.099 0.000 1.050 123 K CA 1.317 57.643 56.287 0.065 0.000 0.935 123 K CB -0.223 32.295 32.500 0.031 0.000 0.715 123 K HN 0.330 nan 8.250 nan 0.000 0.439 124 D N 0.456 120.883 120.400 0.046 0.000 2.097 124 D HA -0.157 4.481 4.640 -0.004 0.000 0.195 124 D C 1.593 178.084 176.300 0.318 0.000 0.989 124 D CA 1.306 55.384 54.000 0.130 0.000 0.827 124 D CB 0.090 40.903 40.800 0.021 0.000 0.966 124 D HN 0.358 nan 8.370 nan 0.000 0.456 125 H N -1.126 118.023 119.070 0.133 0.000 2.524 125 H HA 0.016 4.570 4.556 -0.003 0.000 0.282 125 H C 1.964 177.444 175.328 0.252 0.000 1.016 125 H CA 0.683 56.846 56.048 0.192 0.000 1.270 125 H CB 0.174 30.054 29.762 0.197 0.000 1.394 125 H HN 0.185 nan 8.280 nan 0.000 0.568 126 S N -0.349 115.567 115.700 0.360 0.000 2.561 126 S HA -0.110 4.358 4.470 -0.004 0.000 0.225 126 S C 0.254 175.089 174.600 0.391 0.000 0.977 126 S CA -0.094 58.294 58.200 0.313 0.000 0.926 126 S CB -0.153 63.190 63.200 0.237 0.000 0.769 126 S HN 0.407 nan 8.310 nan 0.000 0.533 127 W N 0.921 122.338 121.300 0.196 0.000 2.702 127 W HA 0.573 5.231 4.660 -0.003 0.000 0.331 127 W C -1.576 175.076 176.519 0.221 0.000 1.049 127 W CA -1.560 55.898 57.345 0.189 0.000 1.230 127 W CB 0.990 30.529 29.460 0.132 0.000 1.408 127 W HN 0.161 nan 8.180 nan 0.000 0.492 128 W N 8.317 129.283 121.300 -0.557 0.000 2.322 128 W HA 0.566 5.224 4.660 -0.004 0.000 0.321 128 W C -0.654 175.223 176.519 -1.070 0.000 0.991 128 W CA -0.335 56.650 57.345 -0.599 0.000 1.448 128 W CB 0.900 30.171 29.460 -0.316 0.000 1.239 128 W HN 0.735 nan 8.180 nan 0.000 0.399 129 G N 5.060 112.879 108.800 -1.634 0.000 2.550 129 G HA2 0.458 4.416 3.960 -0.004 0.000 0.293 129 G HA3 0.458 4.416 3.960 -0.004 0.000 0.293 129 G C -3.359 171.100 174.900 -0.736 0.000 1.402 129 G CA -0.955 43.302 45.100 -1.405 0.000 0.784 129 G HN -0.061 nan 8.290 nan 0.000 0.482 130 P HA 0.354 nan 4.420 nan 0.000 0.275 130 P C 0.913 178.215 177.300 0.004 0.000 1.227 130 P CA 0.415 63.499 63.100 -0.026 0.000 0.781 130 P CB 1.471 33.198 31.700 0.044 0.000 0.906 131 A N 3.350 125.976 122.820 -0.323 0.000 1.927 131 A HA -0.272 4.046 4.320 -0.004 0.000 0.220 131 A C 1.804 179.250 177.584 -0.231 0.000 1.185 131 A CA 1.913 53.523 52.037 -0.712 0.000 0.639 131 A CB -1.294 17.316 19.000 -0.650 0.000 0.820 131 A HN 0.540 nan 8.150 nan 0.000 0.451 132 E N -0.733 119.431 120.200 -0.060 0.000 2.267 132 E HA -0.093 4.255 4.350 -0.004 0.000 0.197 132 E C 1.436 178.024 176.600 -0.020 0.000 0.998 132 E CA 1.343 57.737 56.400 -0.010 0.000 0.830 132 E CB -0.226 29.494 29.700 0.033 0.000 0.751 132 E HN 0.736 nan 8.360 nan 0.000 0.491 133 V N -2.740 117.186 119.914 0.020 0.000 3.176 133 V HA 0.314 4.432 4.120 -0.004 0.000 0.332 133 V C 0.391 176.306 176.094 -0.299 0.000 1.414 133 V CA -0.455 61.812 62.300 -0.054 0.000 1.133 133 V CB -0.540 31.371 31.823 0.147 0.000 1.088 133 V HN 0.018 nan 8.190 nan 0.000 0.473 134 M N 1.740 121.132 119.600 -0.346 0.000 2.261 134 M HA 0.119 4.597 4.480 -0.004 0.000 0.350 134 M C 1.041 176.968 176.300 -0.621 0.000 1.343 134 M CA 0.766 55.660 55.300 -0.676 0.000 1.003 134 M CB 0.673 33.031 32.600 -0.403 0.000 1.848 134 M HN 0.344 nan 8.290 nan 0.000 0.456 135 Q N 2.303 121.639 119.800 -0.773 0.000 2.350 135 Q HA 0.169 4.507 4.340 -0.004 0.000 0.225 135 Q C 0.384 176.164 176.000 -0.366 0.000 0.878 135 Q CA 0.355 55.831 55.803 -0.544 0.000 0.935 135 Q CB 0.269 28.669 28.738 -0.563 0.000 1.099 135 Q HN 0.735 nan 8.270 nan 0.000 0.527 136 M N 0.283 119.664 119.600 -0.365 0.000 2.202 136 M HA 0.307 4.785 4.480 -0.004 0.000 0.316 136 M C 0.105 176.310 176.300 -0.158 0.000 1.138 136 M CA 0.164 55.335 55.300 -0.216 0.000 1.151 136 M CB 0.409 32.909 32.600 -0.166 0.000 1.422 136 M HN -0.237 nan 8.290 nan 0.000 0.471 137 E N 1.740 121.874 120.200 -0.109 0.000 2.398 137 E HA 0.173 4.521 4.350 -0.004 0.000 0.263 137 E C -0.577 175.973 176.600 -0.082 0.000 1.046 137 E CA 0.241 56.586 56.400 -0.093 0.000 0.908 137 E CB 0.511 30.169 29.700 -0.070 0.000 0.963 137 E HN 0.530 nan 8.360 nan 0.000 0.431 138 R N 3.022 123.467 120.500 -0.091 0.000 2.564 138 R HA 0.247 4.584 4.340 -0.004 0.000 0.282 138 R C -2.172 174.061 176.300 -0.112 0.000 1.573 138 R CA -1.487 54.566 56.100 -0.077 0.000 1.588 138 R CB 1.211 31.467 30.300 -0.072 0.000 1.154 138 R HN 0.311 nan 8.270 nan 0.000 0.606 139 P HA 0.053 nan 4.420 nan 0.000 0.271 139 P C -0.498 176.524 177.300 -0.463 0.000 1.218 139 P CA -0.052 62.857 63.100 -0.319 0.000 0.780 139 P CB 1.272 32.753 31.700 -0.365 0.000 0.901 140 S N 1.362 116.725 115.700 -0.563 0.000 2.565 140 S HA 0.642 5.110 4.470 -0.004 0.000 0.290 140 S C -0.465 173.726 174.600 -0.681 0.000 1.150 140 S CA -0.196 57.748 58.200 -0.428 0.000 1.058 140 S CB 0.170 63.171 63.200 -0.331 0.000 1.032 140 S HN 0.290 nan 8.310 nan 0.000 0.510 141 F N 1.685 121.587 119.950 -0.079 0.000 2.565 141 F HA 0.572 5.096 4.527 -0.004 0.000 0.313 141 F C 0.132 175.784 175.800 -0.246 0.000 1.091 141 F CA -0.917 56.956 58.000 -0.211 0.000 0.915 141 F CB 1.895 40.576 39.000 -0.533 0.000 1.208 141 F HN 0.468 nan 8.300 nan 0.000 0.453 142 K N 0.752 121.204 120.400 0.087 0.000 2.482 142 K HA 0.919 5.237 4.320 -0.004 0.000 0.257 142 K C -1.666 175.091 176.600 0.261 0.000 0.969 142 K CA -1.052 55.221 56.287 -0.023 0.000 0.842 142 K CB 2.480 34.549 32.500 -0.719 0.000 1.359 142 K HN 0.435 nan 8.250 nan 0.000 0.441 143 V N -1.435 118.603 119.914 0.207 0.000 2.919 143 V HA 0.742 4.859 4.120 -0.004 0.000 0.316 143 V C -1.180 174.936 176.094 0.036 0.000 1.077 143 V CA -0.503 61.872 62.300 0.126 0.000 0.977 143 V CB 1.286 33.156 31.823 0.080 0.000 1.039 143 V HN 1.123 nan 8.190 nan 0.000 0.441 144 D N 1.345 121.751 120.400 0.010 0.000 2.946 144 D HA 0.619 5.257 4.640 -0.004 0.000 0.337 144 D C 0.779 177.065 176.300 -0.024 0.000 1.332 144 D CA -0.021 53.972 54.000 -0.011 0.000 0.935 144 D CB 0.991 41.779 40.800 -0.020 0.000 1.440 144 D HN 0.744 nan 8.370 nan 0.000 0.540 145 A N -0.101 122.703 122.820 -0.028 0.000 1.940 145 A HA -0.095 4.223 4.320 -0.004 0.000 0.219 145 A C 1.988 179.551 177.584 -0.034 0.000 1.176 145 A CA 2.882 54.896 52.037 -0.038 0.000 0.631 145 A CB -1.233 17.748 19.000 -0.031 0.000 0.814 145 A HN 0.679 nan 8.150 nan 0.000 0.446 146 S N -1.410 114.278 115.700 -0.019 0.000 2.414 146 S HA 0.049 4.516 4.470 -0.004 0.000 0.227 146 S C 0.717 175.312 174.600 -0.009 0.000 1.022 146 S CA 0.638 58.831 58.200 -0.012 0.000 0.958 146 S CB 0.072 63.271 63.200 -0.002 0.000 0.797 146 S HN 0.281 nan 8.310 nan 0.000 0.493 147 K N 2.731 123.128 120.400 -0.004 0.000 2.592 147 K HA 0.481 4.799 4.320 -0.004 0.000 0.212 147 K C -3.190 173.403 176.600 -0.012 0.000 1.013 147 K CA -2.186 54.105 56.287 0.006 0.000 1.034 147 K CB 1.685 34.211 32.500 0.043 0.000 1.292 147 K HN 0.258 nan 8.250 nan 0.000 0.521 148 P HA 0.233 nan 4.420 nan 0.000 0.276 148 P C 0.126 177.355 177.300 -0.118 0.000 1.244 148 P CA -0.407 62.631 63.100 -0.103 0.000 0.801 148 P CB 1.039 32.640 31.700 -0.165 0.000 1.006 149 G N 0.019 108.721 108.800 -0.164 0.000 4.370 149 G HA2 0.206 4.163 3.960 -0.004 0.000 0.295 149 G HA3 0.206 4.163 3.960 -0.004 0.000 0.295 149 G C 0.766 175.496 174.900 -0.284 0.000 1.312 149 G CA -0.117 44.855 45.100 -0.214 0.000 0.845 149 G HN 0.290 nan 8.290 nan 0.000 0.531 150 S N 0.867 116.343 115.700 -0.373 0.000 2.359 150 S HA -0.167 4.300 4.470 -0.004 0.000 0.224 150 S C 2.813 177.252 174.600 -0.268 0.000 1.035 150 S CA 1.758 59.700 58.200 -0.430 0.000 1.018 150 S CB 0.013 62.711 63.200 -0.836 0.000 0.876 150 S HN 0.779 nan 8.310 nan 0.000 0.448 151 A N 0.634 123.336 122.820 -0.197 0.000 1.858 151 A HA -0.057 4.261 4.320 -0.004 0.000 0.216 151 A C 2.350 179.839 177.584 -0.158 0.000 1.190 151 A CA 1.692 53.666 52.037 -0.105 0.000 0.617 151 A CB -1.076 17.881 19.000 -0.072 0.000 0.827 151 A HN 0.367 nan 8.150 nan 0.000 0.443 152 V N -0.813 118.909 119.914 -0.320 0.000 2.515 152 V HA -0.229 3.889 4.120 -0.004 0.000 0.250 152 V C 2.463 178.465 176.094 -0.154 0.000 1.058 152 V CA 2.266 64.449 62.300 -0.195 0.000 1.064 152 V CB -0.689 31.001 31.823 -0.223 0.000 0.675 152 V HN 0.700 nan 8.190 nan 0.000 0.461 153 C N 0.116 119.282 119.300 -0.225 0.000 2.453 153 C HA 0.017 4.475 4.460 -0.004 0.000 0.277 153 C C 3.029 177.862 174.990 -0.262 0.000 1.262 153 C CA 0.937 59.735 59.018 -0.367 0.000 1.718 153 C CB -1.314 26.250 27.740 -0.294 0.000 2.031 153 C HN 0.691 nan 8.230 nan 0.000 0.480 154 A N -0.387 122.350 122.820 -0.138 0.000 1.930 154 A HA -0.149 4.169 4.320 -0.004 0.000 0.217 154 A C 2.306 179.933 177.584 0.071 0.000 1.175 154 A CA 2.022 54.068 52.037 0.015 0.000 0.627 154 A CB -0.918 18.114 19.000 0.053 0.000 0.815 154 A HN 0.503 nan 8.150 nan 0.000 0.443 155 S N -0.771 114.964 115.700 0.058 0.000 2.382 155 S HA -0.142 4.325 4.470 -0.004 0.000 0.228 155 S C 2.016 176.602 174.600 -0.024 0.000 1.027 155 S CA 2.226 60.515 58.200 0.148 0.000 0.991 155 S CB -0.524 62.770 63.200 0.158 0.000 0.823 155 S HN 0.624 nan 8.310 nan 0.000 0.469 156 T N 1.821 116.241 114.554 -0.223 0.000 2.857 156 T HA 0.107 4.455 4.350 -0.004 0.000 0.266 156 T C 2.089 176.612 174.700 -0.296 0.000 1.048 156 T CA 1.124 62.949 62.100 -0.459 0.000 1.139 156 T CB -0.622 67.848 68.868 -0.663 0.000 0.874 156 T HN 0.505 nan 8.240 nan 0.000 0.455 157 A N 1.567 124.268 122.820 -0.197 0.000 1.940 157 A HA 0.117 4.435 4.320 -0.004 0.000 0.219 157 A C 2.629 180.130 177.584 -0.139 0.000 1.176 157 A CA 1.831 53.797 52.037 -0.119 0.000 0.631 157 A CB -1.061 17.946 19.000 0.011 0.000 0.814 157 A HN 0.505 nan 8.150 nan 0.000 0.446 158 A N -0.853 121.900 122.820 -0.113 0.000 1.898 158 A HA -0.084 4.234 4.320 -0.004 0.000 0.216 158 A C 2.477 179.827 177.584 -0.391 0.000 1.181 158 A CA 2.125 54.006 52.037 -0.260 0.000 0.620 158 A CB -0.944 17.892 19.000 -0.273 0.000 0.819 158 A HN 0.587 nan 8.150 nan 0.000 0.442 159 S N -0.392 115.176 115.700 -0.220 0.000 2.356 159 S HA -0.124 4.344 4.470 -0.004 0.000 0.223 159 S C 1.968 176.472 174.600 -0.160 0.000 1.032 159 S CA 1.551 59.654 58.200 -0.161 0.000 1.005 159 S CB -0.501 62.693 63.200 -0.010 0.000 0.867 159 S HN 0.477 nan 8.310 nan 0.000 0.449 160 L N 1.011 122.157 121.223 -0.128 0.000 2.046 160 L HA -0.074 4.264 4.340 -0.004 0.000 0.208 160 L C 2.966 179.728 176.870 -0.179 0.000 1.077 160 L CA 1.330 56.096 54.840 -0.123 0.000 0.747 160 L CB -0.664 41.336 42.059 -0.098 0.000 0.896 160 L HN 0.439 nan 8.230 nan 0.000 0.432 161 A N -0.040 122.655 122.820 -0.207 0.000 1.898 161 A HA -0.199 4.119 4.320 -0.004 0.000 0.216 161 A C 2.525 179.989 177.584 -0.199 0.000 1.181 161 A CA 1.871 53.794 52.037 -0.189 0.000 0.620 161 A CB -0.712 18.181 19.000 -0.178 0.000 0.819 161 A HN 0.514 nan 8.150 nan 0.000 0.442 162 S N 0.275 115.707 115.700 -0.446 0.000 2.383 162 S HA 0.039 4.507 4.470 -0.004 0.000 0.227 162 S C 2.089 176.506 174.600 -0.305 0.000 1.026 162 S CA 1.278 59.040 58.200 -0.730 0.000 0.981 162 S CB -0.674 61.544 63.200 -1.638 0.000 0.818 162 S HN 0.866 nan 8.310 nan 0.000 0.472 163 A N 2.309 125.027 122.820 -0.170 0.000 1.902 163 A HA 0.278 4.595 4.320 -0.004 0.000 0.217 163 A C 2.567 180.232 177.584 0.135 0.000 1.181 163 A CA 1.788 53.865 52.037 0.067 0.000 0.623 163 A CB -1.529 17.488 19.000 0.030 0.000 0.818 163 A HN 0.865 nan 8.150 nan 0.000 0.443 164 A N -0.488 122.317 122.820 -0.026 0.000 1.908 164 A HA -0.038 4.280 4.320 -0.004 0.000 0.218 164 A C 2.237 179.865 177.584 0.073 0.000 1.181 164 A CA 1.872 53.906 52.037 -0.005 0.000 0.627 164 A CB -1.019 17.929 19.000 -0.087 0.000 0.818 164 A HN 0.407 nan 8.150 nan 0.000 0.445 165 V N 0.273 120.213 119.914 0.043 0.000 2.287 165 V HA -0.266 3.852 4.120 -0.004 0.000 0.248 165 V C 2.665 178.847 176.094 0.146 0.000 1.053 165 V CA 2.199 64.551 62.300 0.087 0.000 1.027 165 V CB -0.926 30.947 31.823 0.084 0.000 0.646 165 V HN 0.643 nan 8.190 nan 0.000 0.447 166 V N -4.107 115.892 119.914 0.143 0.000 3.306 166 V HA 0.041 4.159 4.120 -0.004 0.000 0.264 166 V C 1.941 178.021 176.094 -0.022 0.000 1.149 166 V CA 1.327 63.681 62.300 0.090 0.000 1.143 166 V CB -0.800 31.046 31.823 0.039 0.000 0.767 166 V HN 0.383 nan 8.190 nan 0.000 0.476 167 F N 0.309 120.302 119.950 0.072 0.000 2.746 167 F HA 0.347 4.872 4.527 -0.004 0.000 0.297 167 F C 2.261 178.108 175.800 0.079 0.000 1.113 167 F CA 0.579 58.635 58.000 0.094 0.000 1.367 167 F CB 0.135 39.247 39.000 0.187 0.000 1.111 167 F HN 0.006 nan 8.300 nan 0.000 0.590 168 K N -0.075 120.449 120.400 0.208 0.000 2.074 168 K HA -0.236 4.082 4.320 -0.004 0.000 0.209 168 K C 2.452 179.115 176.600 0.105 0.000 1.048 168 K CA 1.710 58.078 56.287 0.136 0.000 0.926 168 K CB -0.311 32.243 32.500 0.090 0.000 0.713 168 K HN 0.164 nan 8.250 nan 0.000 0.444 169 S N -0.333 115.416 115.700 0.082 0.000 2.383 169 S HA -0.099 4.368 4.470 -0.004 0.000 0.227 169 S C 1.820 176.453 174.600 0.054 0.000 1.026 169 S CA 1.780 60.014 58.200 0.057 0.000 0.981 169 S CB -0.176 63.047 63.200 0.039 0.000 0.818 169 S HN 0.552 nan 8.310 nan 0.000 0.472 170 S N -1.161 114.575 115.700 0.060 0.000 2.497 170 S HA 0.219 4.687 4.470 -0.004 0.000 0.218 170 S C 0.318 174.986 174.600 0.113 0.000 1.023 170 S CA 0.084 58.320 58.200 0.059 0.000 0.913 170 S CB 0.155 63.361 63.200 0.009 0.000 0.800 170 S HN 0.415 nan 8.310 nan 0.000 0.505 171 D N 1.710 122.224 120.400 0.190 0.000 2.714 171 D HA 0.301 4.939 4.640 -0.004 0.000 0.264 171 D C -2.187 174.236 176.300 0.205 0.000 1.231 171 D CA -1.806 52.322 54.000 0.212 0.000 0.802 171 D CB 1.567 42.558 40.800 0.318 0.000 1.319 171 D HN 0.048 nan 8.370 nan 0.000 0.528 172 P HA -0.145 nan 4.420 nan 0.000 0.218 172 P C 1.337 178.685 177.300 0.080 0.000 1.148 172 P CA 1.025 64.183 63.100 0.097 0.000 0.822 172 P CB 0.364 32.103 31.700 0.065 0.000 0.784 173 T N -1.118 113.487 114.554 0.086 0.000 2.777 173 T HA -0.176 4.172 4.350 -0.004 0.000 0.266 173 T C 1.752 176.501 174.700 0.083 0.000 1.040 173 T CA 1.119 63.259 62.100 0.068 0.000 1.141 173 T CB -1.081 67.825 68.868 0.064 0.000 0.868 173 T HN 0.134 nan 8.240 nan 0.000 0.444 174 Y N 1.637 121.920 120.300 -0.029 0.000 2.242 174 Y HA 0.012 4.560 4.550 -0.004 0.000 0.291 174 Y C 2.523 178.376 175.900 -0.080 0.000 1.137 174 Y CA 0.831 58.875 58.100 -0.094 0.000 1.181 174 Y CB -0.333 38.012 38.460 -0.191 0.000 0.989 174 Y HN 0.194 nan 8.280 nan 0.000 0.527 175 A N 0.367 123.176 122.820 -0.018 0.000 1.908 175 A HA -0.195 4.123 4.320 -0.004 0.000 0.218 175 A C 2.049 179.555 177.584 -0.130 0.000 1.181 175 A CA 1.899 53.889 52.037 -0.079 0.000 0.627 175 A CB -0.560 18.473 19.000 0.055 0.000 0.818 175 A HN 0.496 nan 8.150 nan 0.000 0.445 176 E N -0.170 119.986 120.200 -0.073 0.000 2.072 176 E HA -0.187 4.161 4.350 -0.004 0.000 0.191 176 E C 1.989 178.528 176.600 -0.101 0.000 0.985 176 E CA 1.531 57.890 56.400 -0.069 0.000 0.801 176 E CB -0.274 29.408 29.700 -0.031 0.000 0.750 176 E HN 0.570 nan 8.360 nan 0.000 0.452 177 K N 0.991 121.317 120.400 -0.123 0.000 2.032 177 K HA -0.101 4.217 4.320 -0.004 0.000 0.209 177 K C 2.166 178.701 176.600 -0.109 0.000 1.048 177 K CA 1.490 57.721 56.287 -0.093 0.000 0.927 177 K CB -0.774 31.669 32.500 -0.094 0.000 0.712 177 K HN 0.094 nan 8.250 nan 0.000 0.441 178 C N 0.174 119.274 119.300 -0.333 0.000 2.432 178 C HA -0.023 4.435 4.460 -0.004 0.000 0.277 178 C C 2.556 177.457 174.990 -0.149 0.000 1.249 178 C CA 0.774 59.614 59.018 -0.297 0.000 1.725 178 C CB -0.862 26.606 27.740 -0.454 0.000 2.028 178 C HN 0.506 nan 8.230 nan 0.000 0.477 179 I N 0.858 121.338 120.570 -0.151 0.000 2.208 179 I HA -0.215 3.953 4.170 -0.004 0.000 0.245 179 I C 2.528 178.581 176.117 -0.105 0.000 1.097 179 I CA 1.504 62.730 61.300 -0.124 0.000 1.363 179 I CB -0.475 37.462 38.000 -0.105 0.000 1.051 179 I HN 0.292 nan 8.210 nan 0.000 0.413 180 S N -0.390 115.239 115.700 -0.118 0.000 2.353 180 S HA -0.220 4.248 4.470 -0.004 0.000 0.222 180 S C 1.963 176.421 174.600 -0.237 0.000 1.035 180 S CA 1.239 59.331 58.200 -0.181 0.000 1.025 180 S CB -0.497 62.554 63.200 -0.247 0.000 0.902 180 S HN 0.472 nan 8.310 nan 0.000 0.440 181 H N 0.959 119.982 119.070 -0.079 0.000 2.395 181 H HA 0.135 4.689 4.556 -0.004 0.000 0.299 181 H C 2.513 177.793 175.328 -0.079 0.000 1.070 181 H CA 1.169 57.177 56.048 -0.066 0.000 1.356 181 H CB -0.534 29.188 29.762 -0.067 0.000 1.401 181 H HN 0.432 nan 8.280 nan 0.000 0.524 182 A N 1.668 124.482 122.820 -0.009 0.000 1.908 182 A HA -0.195 4.123 4.320 -0.004 0.000 0.218 182 A C 2.368 179.935 177.584 -0.028 0.000 1.181 182 A CA 1.623 53.622 52.037 -0.063 0.000 0.627 182 A CB -0.329 18.594 19.000 -0.128 0.000 0.818 182 A HN 0.310 nan 8.150 nan 0.000 0.445 183 K N -0.415 119.967 120.400 -0.031 0.000 2.057 183 K HA -0.161 4.157 4.320 -0.004 0.000 0.207 183 K C 2.108 178.769 176.600 0.103 0.000 1.049 183 K CA 1.370 57.692 56.287 0.059 0.000 0.931 183 K CB -0.262 32.271 32.500 0.055 0.000 0.714 183 K HN 0.618 nan 8.250 nan 0.000 0.440 184 N N 1.015 119.729 118.700 0.024 0.000 2.142 184 N HA -0.132 4.606 4.740 -0.004 0.000 0.186 184 N C 1.830 177.345 175.510 0.007 0.000 1.023 184 N CA 0.916 53.975 53.050 0.015 0.000 0.852 184 N CB 0.075 38.552 38.487 -0.017 0.000 0.998 184 N HN 0.102 nan 8.380 nan 0.000 0.424 185 L N -0.197 121.010 121.223 -0.026 0.000 2.093 185 L HA -0.122 4.216 4.340 -0.004 0.000 0.208 185 L C 2.372 179.202 176.870 -0.067 0.000 1.085 185 L CA 0.824 55.592 54.840 -0.120 0.000 0.755 185 L CB -0.580 41.314 42.059 -0.275 0.000 0.904 185 L HN 0.151 nan 8.230 nan 0.000 0.435 186 F N 1.448 121.339 119.950 -0.098 0.000 2.134 186 F HA -0.261 4.264 4.527 -0.004 0.000 0.299 186 F C 2.169 177.968 175.800 -0.001 0.000 1.097 186 F CA 1.967 59.941 58.000 -0.042 0.000 1.264 186 F CB -0.199 38.804 39.000 0.005 0.000 1.001 186 F HN 0.112 nan 8.300 nan 0.000 0.479 187 D N -0.062 120.386 120.400 0.080 0.000 2.123 187 D HA -0.246 4.392 4.640 -0.004 0.000 0.196 187 D C 2.267 178.482 176.300 -0.142 0.000 0.992 187 D CA 1.967 55.961 54.000 -0.009 0.000 0.833 187 D CB -0.118 40.723 40.800 0.069 0.000 0.954 187 D HN 0.348 nan 8.370 nan 0.000 0.455 188 M N -0.021 119.504 119.600 -0.125 0.000 2.065 188 M HA -0.186 4.292 4.480 -0.004 0.000 0.259 188 M C 2.371 178.529 176.300 -0.237 0.000 1.069 188 M CA 1.802 57.015 55.300 -0.146 0.000 1.110 188 M CB -0.335 32.196 32.600 -0.115 0.000 1.328 188 M HN 0.120 nan 8.290 nan 0.000 0.405 189 A N -0.076 122.555 122.820 -0.315 0.000 1.877 189 A HA -0.234 4.084 4.320 -0.004 0.000 0.216 189 A C 1.807 179.099 177.584 -0.487 0.000 1.186 189 A CA 2.325 54.117 52.037 -0.408 0.000 0.620 189 A CB -0.899 17.862 19.000 -0.399 0.000 0.822 189 A HN 0.491 nan 8.150 nan 0.000 0.443 190 D N -0.763 119.288 120.400 -0.583 0.000 2.144 190 D HA -0.091 4.547 4.640 -0.004 0.000 0.200 190 D C 1.948 178.107 176.300 -0.234 0.000 0.978 190 D CA 1.374 55.095 54.000 -0.465 0.000 0.833 190 D CB -0.103 40.323 40.800 -0.623 0.000 0.961 190 D HN 0.458 nan 8.370 nan 0.000 0.470 191 K N -0.344 119.932 120.400 -0.206 0.000 2.103 191 K HA 0.068 4.386 4.320 -0.004 0.000 0.204 191 K C 2.039 178.551 176.600 -0.146 0.000 1.052 191 K CA 0.942 57.155 56.287 -0.123 0.000 0.945 191 K CB 0.025 32.470 32.500 -0.091 0.000 0.722 191 K HN 0.085 nan 8.250 nan 0.000 0.443 192 A N 1.289 123.978 122.820 -0.218 0.000 1.898 192 A HA -0.077 4.241 4.320 -0.004 0.000 0.214 192 A C 0.390 177.768 177.584 -0.344 0.000 1.183 192 A CA 0.705 52.594 52.037 -0.246 0.000 0.622 192 A CB -0.137 18.704 19.000 -0.265 0.000 0.824 192 A HN 0.247 nan 8.150 nan 0.000 0.444 193 K N -0.277 119.796 120.400 -0.546 0.000 3.490 193 K HA -0.147 4.171 4.320 -0.004 0.000 0.273 193 K C -0.299 175.669 176.600 -1.053 0.000 0.916 193 K CA 0.748 56.496 56.287 -0.897 0.000 0.718 193 K CB -1.659 30.688 32.500 -0.255 0.000 1.477 193 K HN 0.474 nan 8.250 nan 0.000 0.452 194 S N -0.393 114.620 115.700 -1.145 0.000 2.558 194 S HA 0.249 4.717 4.470 -0.004 0.000 0.277 194 S C -0.961 173.373 174.600 -0.444 0.000 1.143 194 S CA -0.886 56.952 58.200 -0.602 0.000 0.865 194 S CB 1.456 64.501 63.200 -0.257 0.000 1.102 194 S HN 0.206 nan 8.310 nan 0.000 0.454 195 D N 2.415 122.722 120.400 -0.155 0.000 2.402 195 D HA 0.304 4.942 4.640 -0.004 0.000 0.216 195 D C 1.643 177.966 176.300 0.037 0.000 1.128 195 D CA 0.449 54.431 54.000 -0.031 0.000 0.833 195 D CB 0.632 41.504 40.800 0.119 0.000 0.971 195 D HN 0.562 nan 8.370 nan 0.000 0.503 196 A N 0.561 123.377 122.820 -0.006 0.000 2.024 196 A HA -0.074 4.244 4.320 -0.004 0.000 0.220 196 A C 2.126 179.723 177.584 0.021 0.000 1.164 196 A CA 1.823 53.869 52.037 0.016 0.000 0.643 196 A CB -0.482 18.518 19.000 0.000 0.000 0.806 196 A HN 0.284 nan 8.150 nan 0.000 0.451 197 G N -3.027 105.779 108.800 0.009 0.000 3.042 197 G HA2 0.198 4.156 3.960 -0.004 0.000 0.212 197 G HA3 0.198 4.156 3.960 -0.004 0.000 0.212 197 G C 0.276 175.191 174.900 0.026 0.000 1.166 197 G CA 0.155 45.272 45.100 0.028 0.000 0.767 197 G HN 0.468 nan 8.290 nan 0.000 0.546 198 Y N 2.710 122.907 120.300 -0.171 0.000 2.650 198 Y HA 0.405 4.953 4.550 -0.004 0.000 0.343 198 Y C 1.264 177.115 175.900 -0.083 0.000 1.078 198 Y CA -0.339 57.559 58.100 -0.336 0.000 1.356 198 Y CB 0.658 38.922 38.460 -0.326 0.000 1.204 198 Y HN 0.054 nan 8.280 nan 0.000 0.508 199 T N -0.103 114.345 114.554 -0.177 0.000 2.969 199 T HA 0.240 4.588 4.350 -0.004 0.000 0.258 199 T C 1.703 176.311 174.700 -0.154 0.000 0.962 199 T CA 0.445 62.456 62.100 -0.147 0.000 0.903 199 T CB -0.091 68.760 68.868 -0.029 0.000 1.177 199 T HN 0.426 nan 8.240 nan 0.000 0.511 200 A N 1.362 124.120 122.820 -0.103 0.000 2.172 200 A HA 0.596 4.914 4.320 -0.004 0.000 0.216 200 A C 2.245 179.757 177.584 -0.120 0.000 1.154 200 A CA 1.125 52.931 52.037 -0.385 0.000 0.701 200 A CB -0.823 17.461 19.000 -1.194 0.000 0.789 200 A HN 0.795 nan 8.150 nan 0.000 0.465 201 A N 0.370 123.174 122.820 -0.027 0.000 2.379 201 A HA 0.411 4.729 4.320 -0.004 0.000 0.236 201 A C 1.065 178.689 177.584 0.067 0.000 1.272 201 A CA 0.448 52.603 52.037 0.195 0.000 0.886 201 A CB -0.770 18.332 19.000 0.170 0.000 0.962 201 A HN 0.695 nan 8.150 nan 0.000 0.504 202 S N -0.683 114.989 115.700 -0.046 0.000 2.546 202 S HA 0.391 4.859 4.470 -0.004 0.000 0.290 202 S C 1.290 175.749 174.600 -0.234 0.000 1.290 202 S CA 0.430 58.563 58.200 -0.110 0.000 1.069 202 S CB 0.601 63.743 63.200 -0.096 0.000 0.846 202 S HN 1.862 nan 8.310 nan 0.000 0.495 203 G N 2.464 111.062 108.800 -0.336 0.000 2.217 203 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.246 203 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.246 203 G C 0.287 174.657 174.900 -0.883 0.000 0.990 203 G CA 0.538 45.277 45.100 -0.602 0.000 0.627 203 G HN 0.794 nan 8.290 nan 0.000 0.522 204 Y N -1.989 118.121 120.300 -0.317 0.000 2.697 204 Y HA 0.507 5.054 4.550 -0.004 0.000 0.268 204 Y C 1.361 176.616 175.900 -1.075 0.000 1.092 204 Y CA 0.409 58.117 58.100 -0.654 0.000 1.304 204 Y CB 0.539 38.574 38.460 -0.709 0.000 1.446 204 Y HN 0.124 nan 8.280 nan 0.000 0.491 205 Y N 0.366 120.463 120.300 -0.339 0.000 2.629 205 Y HA 0.383 4.931 4.550 -0.004 0.000 0.282 205 Y C 0.054 176.034 175.900 0.134 0.000 0.994 205 Y CA -1.135 56.739 58.100 -0.377 0.000 1.126 205 Y CB 0.589 38.668 38.460 -0.634 0.000 1.187 205 Y HN -0.151 nan 8.280 nan 0.000 0.600 206 S N 0.587 116.407 115.700 0.199 0.000 2.558 206 S HA 0.069 4.537 4.470 -0.004 0.000 0.288 206 S C 0.504 175.394 174.600 0.483 0.000 1.318 206 S CA -0.083 58.275 58.200 0.264 0.000 1.056 206 S CB 0.803 64.061 63.200 0.097 0.000 0.853 206 S HN 0.428 nan 8.310 nan 0.000 0.505 207 S N 1.403 117.411 115.700 0.513 0.000 2.525 207 S HA 0.316 4.784 4.470 -0.004 0.000 0.278 207 S C 0.895 175.597 174.600 0.170 0.000 1.234 207 S CA -0.539 57.877 58.200 0.360 0.000 1.058 207 S CB 0.595 63.958 63.200 0.271 0.000 0.983 207 S HN 0.750 nan 8.310 nan 0.000 0.495 208 S N 2.356 118.085 115.700 0.049 0.000 2.539 208 S HA 0.372 4.839 4.470 -0.004 0.000 0.221 208 S C 0.001 174.554 174.600 -0.078 0.000 0.987 208 S CA 0.065 58.245 58.200 -0.033 0.000 0.929 208 S CB -0.367 62.763 63.200 -0.115 0.000 0.832 208 S HN 1.099 nan 8.310 nan 0.000 0.492 209 S N 0.406 116.068 115.700 -0.063 0.000 2.558 209 S HA 0.608 5.075 4.470 -0.004 0.000 0.277 209 S C -0.506 174.037 174.600 -0.095 0.000 1.143 209 S CA -0.786 57.322 58.200 -0.153 0.000 0.865 209 S CB 0.429 63.518 63.200 -0.185 0.000 1.102 209 S HN 0.593 nan 8.310 nan 0.000 0.454 210 F N -1.177 118.708 119.950 -0.109 0.000 2.880 210 F HA 0.489 5.014 4.527 -0.004 0.000 0.346 210 F C 1.030 176.710 175.800 -0.199 0.000 1.054 210 F CA -0.625 57.265 58.000 -0.184 0.000 1.151 210 F CB -0.343 38.493 39.000 -0.273 0.000 1.066 210 F HN 0.575 nan 8.300 nan 0.000 0.566 211 Y N 2.847 122.920 120.300 -0.378 0.000 2.352 211 Y HA -0.152 4.395 4.550 -0.004 0.000 0.292 211 Y C 2.310 178.293 175.900 0.137 0.000 1.136 211 Y CA 1.449 59.506 58.100 -0.071 0.000 1.227 211 Y CB -0.217 38.237 38.460 -0.009 0.000 0.991 211 Y HN 0.245 nan 8.280 nan 0.000 0.545 212 D N -0.258 120.186 120.400 0.074 0.000 2.097 212 D HA -0.201 4.437 4.640 -0.004 0.000 0.197 212 D C 1.234 177.589 176.300 0.092 0.000 0.984 212 D CA 1.536 55.450 54.000 -0.143 0.000 0.826 212 D CB -0.717 39.872 40.800 -0.353 0.000 0.973 212 D HN 0.356 nan 8.370 nan 0.000 0.460 213 D N 0.779 121.239 120.400 0.099 0.000 2.144 213 D HA -0.084 4.553 4.640 -0.004 0.000 0.199 213 D C 2.491 178.957 176.300 0.277 0.000 0.984 213 D CA 0.513 54.638 54.000 0.208 0.000 0.834 213 D CB 0.053 40.936 40.800 0.139 0.000 0.955 213 D HN 0.276 nan 8.370 nan 0.000 0.465 214 L N 0.902 122.214 121.223 0.148 0.000 2.012 214 L HA -0.173 4.164 4.340 -0.004 0.000 0.210 214 L C 2.716 179.843 176.870 0.428 0.000 1.073 214 L CA 0.891 55.775 54.840 0.073 0.000 0.748 214 L CB -0.341 41.318 42.059 -0.666 0.000 0.891 214 L HN -0.055 nan 8.230 nan 0.000 0.431 215 S N -1.070 114.959 115.700 0.548 0.000 2.356 215 S HA -0.218 4.250 4.470 -0.004 0.000 0.223 215 S C 1.567 176.467 174.600 0.500 0.000 1.032 215 S CA 1.223 59.849 58.200 0.709 0.000 1.005 215 S CB -0.426 63.332 63.200 0.931 0.000 0.867 215 S HN 0.553 nan 8.310 nan 0.000 0.449 216 W N 2.413 123.850 121.300 0.228 0.000 2.335 216 W HA -0.247 4.411 4.660 -0.004 0.000 0.311 216 W C 2.367 179.010 176.519 0.207 0.000 1.213 216 W CA 1.392 58.830 57.345 0.155 0.000 1.274 216 W CB -0.491 29.063 29.460 0.157 0.000 1.148 216 W HN 0.347 nan 8.180 nan 0.000 0.498 217 A N 1.051 124.072 122.820 0.334 0.000 1.877 217 A HA -0.110 4.208 4.320 -0.004 0.000 0.216 217 A C 2.140 179.679 177.584 -0.075 0.000 1.186 217 A CA 2.708 54.824 52.037 0.130 0.000 0.620 217 A CB -1.409 17.789 19.000 0.330 0.000 0.822 217 A HN 0.381 nan 8.150 nan 0.000 0.443 218 A N -0.645 122.193 122.820 0.030 0.000 1.902 218 A HA -0.010 4.308 4.320 -0.004 0.000 0.217 218 A C 2.240 179.752 177.584 -0.120 0.000 1.181 218 A CA 1.794 53.748 52.037 -0.139 0.000 0.623 218 A CB -0.939 18.205 19.000 0.240 0.000 0.818 218 A HN 0.384 nan 8.150 nan 0.000 0.443 219 V N -2.152 117.695 119.914 -0.112 0.000 2.295 219 V HA -0.295 3.823 4.120 -0.004 0.000 0.246 219 V C 2.258 178.082 176.094 -0.450 0.000 1.049 219 V CA 1.953 64.085 62.300 -0.279 0.000 1.024 219 V CB -0.944 30.617 31.823 -0.436 0.000 0.648 219 V HN 0.811 nan 8.190 nan 0.000 0.447 220 W N -0.589 120.459 121.300 -0.420 0.000 2.402 220 W HA -0.029 4.629 4.660 -0.004 0.000 0.286 220 W C 2.285 178.545 176.519 -0.433 0.000 1.221 220 W CA 0.566 57.613 57.345 -0.496 0.000 1.257 220 W CB -0.278 28.804 29.460 -0.630 0.000 1.120 220 W HN 0.152 nan 8.180 nan 0.000 0.551 221 L N -0.999 120.037 121.223 -0.312 0.000 2.141 221 L HA -0.245 4.093 4.340 -0.004 0.000 0.209 221 L C 2.360 179.004 176.870 -0.376 0.000 1.094 221 L CA 1.091 55.589 54.840 -0.570 0.000 0.763 221 L CB -0.764 40.502 42.059 -1.321 0.000 0.908 221 L HN 0.074 nan 8.230 nan 0.000 0.437 222 Y N 0.504 120.624 120.300 -0.301 0.000 2.163 222 Y HA -0.224 4.324 4.550 -0.004 0.000 0.288 222 Y C 2.211 178.031 175.900 -0.133 0.000 1.136 222 Y CA 1.447 59.479 58.100 -0.113 0.000 1.147 222 Y CB -0.271 38.127 38.460 -0.103 0.000 0.987 222 Y HN 0.009 nan 8.280 nan 0.000 0.509 223 L N -0.371 120.619 121.223 -0.388 0.000 2.141 223 L HA -0.163 4.175 4.340 -0.004 0.000 0.209 223 L C 2.664 179.375 176.870 -0.265 0.000 1.094 223 L CA 1.073 55.662 54.840 -0.419 0.000 0.763 223 L CB -0.768 41.042 42.059 -0.414 0.000 0.908 223 L HN 0.342 nan 8.230 nan 0.000 0.437 224 A N -0.369 122.335 122.820 -0.194 0.000 1.930 224 A HA -0.128 4.190 4.320 -0.004 0.000 0.215 224 A C 2.326 179.834 177.584 -0.128 0.000 1.176 224 A CA 1.808 53.767 52.037 -0.130 0.000 0.632 224 A CB -0.511 18.413 19.000 -0.127 0.000 0.819 224 A HN 0.461 nan 8.150 nan 0.000 0.445 225 T N -5.166 109.300 114.554 -0.145 0.000 2.990 225 T HA 0.094 4.442 4.350 -0.004 0.000 0.250 225 T C 0.675 175.330 174.700 -0.075 0.000 1.041 225 T CA 0.600 62.659 62.100 -0.068 0.000 1.010 225 T CB -0.173 68.713 68.868 0.029 0.000 1.003 225 T HN 0.402 nan 8.240 nan 0.000 0.499 226 N N 1.824 120.394 118.700 -0.216 0.000 2.741 226 N HA -0.137 4.601 4.740 -0.004 0.000 0.251 226 N C -0.881 174.643 175.510 0.024 0.000 1.112 226 N CA 1.253 54.137 53.050 -0.276 0.000 0.750 226 N CB -1.373 37.017 38.487 -0.162 0.000 1.119 226 N HN 0.629 nan 8.380 nan 0.000 0.561 227 D N 0.768 121.267 120.400 0.165 0.000 2.380 227 D HA 0.239 4.876 4.640 -0.004 0.000 0.230 227 D C 1.169 177.666 176.300 0.329 0.000 1.154 227 D CA -0.034 54.090 54.000 0.206 0.000 0.859 227 D CB 0.630 41.533 40.800 0.171 0.000 1.045 227 D HN 0.216 nan 8.370 nan 0.000 0.495 228 S N 1.815 117.662 115.700 0.245 0.000 2.537 228 S HA -0.157 4.311 4.470 -0.004 0.000 0.240 228 S C 1.673 176.233 174.600 -0.066 0.000 0.981 228 S CA 0.791 59.028 58.200 0.063 0.000 0.948 228 S CB -0.301 62.899 63.200 -0.001 0.000 0.759 228 S HN 0.464 nan 8.310 nan 0.000 0.531 229 T N 1.380 115.879 114.554 -0.091 0.000 2.699 229 T HA -0.113 4.235 4.350 -0.004 0.000 0.268 229 T C 1.170 175.723 174.700 -0.245 0.000 1.036 229 T CA 1.815 63.785 62.100 -0.216 0.000 1.147 229 T CB -0.520 68.134 68.868 -0.357 0.000 0.862 229 T HN 0.618 nan 8.240 nan 0.000 0.446 230 Y N 0.437 120.714 120.300 -0.039 0.000 2.314 230 Y HA 0.129 4.677 4.550 -0.004 0.000 0.293 230 Y C 2.064 177.882 175.900 -0.137 0.000 1.129 230 Y CA -0.015 58.029 58.100 -0.094 0.000 1.201 230 Y CB -0.583 37.809 38.460 -0.113 0.000 0.999 230 Y HN 0.117 nan 8.280 nan 0.000 0.541 231 L N 0.169 121.314 121.223 -0.129 0.000 2.093 231 L HA -0.167 4.171 4.340 -0.004 0.000 0.208 231 L C 1.617 178.359 176.870 -0.213 0.000 1.085 231 L CA 1.883 56.515 54.840 -0.346 0.000 0.755 231 L CB -0.658 40.906 42.059 -0.824 0.000 0.904 231 L HN 0.028 nan 8.230 nan 0.000 0.435 232 D N -0.228 120.065 120.400 -0.180 0.000 2.117 232 D HA -0.174 4.464 4.640 -0.004 0.000 0.197 232 D C 2.165 178.362 176.300 -0.172 0.000 0.987 232 D CA 1.225 55.133 54.000 -0.154 0.000 0.829 232 D CB -0.013 40.709 40.800 -0.131 0.000 0.961 232 D HN 0.372 nan 8.370 nan 0.000 0.460 233 K N 0.558 120.878 120.400 -0.134 0.000 2.026 233 K HA -0.060 4.258 4.320 -0.004 0.000 0.208 233 K C 2.154 178.537 176.600 -0.362 0.000 1.048 233 K CA 1.103 57.262 56.287 -0.214 0.000 0.929 233 K CB -0.123 32.469 32.500 0.153 0.000 0.713 233 K HN 0.018 nan 8.250 nan 0.000 0.439 234 A N 1.905 124.715 122.820 -0.017 0.000 1.892 234 A HA -0.260 4.058 4.320 -0.004 0.000 0.218 234 A C 1.904 179.484 177.584 -0.006 0.000 1.188 234 A CA 1.842 53.958 52.037 0.132 0.000 0.631 234 A CB -0.486 18.551 19.000 0.062 0.000 0.822 234 A HN 0.349 nan 8.150 nan 0.000 0.447 235 E N 0.013 120.138 120.200 -0.124 0.000 2.152 235 E HA -0.121 4.227 4.350 -0.004 0.000 0.192 235 E C 2.288 178.758 176.600 -0.216 0.000 0.983 235 E CA 1.126 57.455 56.400 -0.118 0.000 0.818 235 E CB -0.222 29.452 29.700 -0.043 0.000 0.758 235 E HN 0.809 nan 8.360 nan 0.000 0.467 236 S N 0.510 116.017 115.700 -0.323 0.000 2.419 236 S HA -0.176 4.292 4.470 -0.004 0.000 0.233 236 S C 1.677 176.079 174.600 -0.330 0.000 1.016 236 S CA 0.799 58.788 58.200 -0.351 0.000 0.974 236 S CB -0.438 62.518 63.200 -0.406 0.000 0.786 236 S HN 0.270 nan 8.310 nan 0.000 0.492 237 Y N 1.437 121.699 120.300 -0.063 0.000 2.544 237 Y HA 0.312 4.860 4.550 -0.004 0.000 0.286 237 Y C 2.421 178.021 175.900 -0.500 0.000 1.141 237 Y CA -0.598 57.447 58.100 -0.092 0.000 1.299 237 Y CB -0.878 37.767 38.460 0.308 0.000 1.030 237 Y HN 0.103 nan 8.280 nan 0.000 0.543 238 V N 1.323 120.838 119.914 -0.665 0.000 2.324 238 V HA -0.254 3.863 4.120 -0.004 0.000 0.250 238 V C -0.378 175.278 176.094 -0.730 0.000 1.060 238 V CA 2.016 63.535 62.300 -1.302 0.000 1.042 238 V CB -1.629 29.643 31.823 -0.919 0.000 0.650 238 V HN 0.284 nan 8.190 nan 0.000 0.450 239 P HA -0.054 nan 4.420 nan 0.000 0.225 239 P C 1.116 178.257 177.300 -0.266 0.000 1.148 239 P CA 1.068 64.001 63.100 -0.279 0.000 0.779 239 P CB -0.122 31.446 31.700 -0.221 0.000 0.780 240 N N -2.268 116.214 118.700 -0.364 0.000 2.412 240 N HA -0.029 4.709 4.740 -0.004 0.000 0.184 240 N C 0.228 175.654 175.510 -0.139 0.000 1.101 240 N CA 0.333 53.111 53.050 -0.453 0.000 0.881 240 N CB -0.052 37.683 38.487 -1.254 0.000 0.969 240 N HN 0.167 nan 8.380 nan 0.000 0.459 241 W N 2.053 123.222 121.300 -0.220 0.000 2.137 241 W HA 0.276 4.934 4.660 -0.003 0.000 0.344 241 W C 1.335 177.690 176.519 -0.273 0.000 1.286 241 W CA -1.144 56.059 57.345 -0.237 0.000 1.240 241 W CB -0.324 28.970 29.460 -0.276 0.000 1.141 241 W HN -0.107 nan 8.180 nan 0.000 0.579 242 G N 2.134 110.864 108.800 -0.117 0.000 2.432 242 G HA2 0.260 4.218 3.960 -0.004 0.000 0.239 242 G HA3 0.260 4.218 3.960 -0.004 0.000 0.239 242 G C -0.344 174.478 174.900 -0.130 0.000 1.291 242 G CA -0.402 44.605 45.100 -0.155 0.000 0.863 242 G HN 0.347 nan 8.290 nan 0.000 0.560 243 K N 0.709 121.059 120.400 -0.083 0.000 2.238 243 K HA 0.321 4.639 4.320 -0.004 0.000 0.239 243 K C -0.301 176.272 176.600 -0.045 0.000 0.987 243 K CA -0.862 55.403 56.287 -0.037 0.000 0.857 243 K CB 1.546 34.032 32.500 -0.024 0.000 1.154 243 K HN 0.337 nan 8.250 nan 0.000 0.439 244 E N 2.201 122.397 120.200 -0.006 0.000 2.360 244 E HA -0.048 4.300 4.350 -0.004 0.000 0.269 244 E C -0.341 176.238 176.600 -0.034 0.000 1.022 244 E CA 0.099 56.473 56.400 -0.044 0.000 0.887 244 E CB 0.912 30.614 29.700 0.005 0.000 0.990 244 E HN 0.393 nan 8.360 nan 0.000 0.426 245 Q N 2.355 122.120 119.800 -0.059 0.000 2.304 245 Q HA -0.195 4.142 4.340 -0.004 0.000 0.315 245 Q C -0.137 175.851 176.000 -0.020 0.000 1.075 245 Q CA 0.495 56.272 55.803 -0.044 0.000 0.988 245 Q CB 0.250 28.957 28.738 -0.051 0.000 1.146 245 Q HN 0.414 nan 8.270 nan 0.000 0.383 246 Q N 0.507 120.297 119.800 -0.017 0.000 2.489 246 Q HA -0.197 4.140 4.340 -0.004 0.000 0.259 246 Q C -1.227 174.775 176.000 0.004 0.000 0.934 246 Q CA 1.703 57.502 55.803 -0.006 0.000 1.131 246 Q CB -1.658 27.078 28.738 -0.003 0.000 1.472 246 Q HN 0.894 nan 8.270 nan 0.000 0.560 247 T N -5.240 109.319 114.554 0.007 0.000 2.838 247 T HA 0.563 4.911 4.350 -0.004 0.000 0.292 247 T C -0.053 174.653 174.700 0.010 0.000 1.113 247 T CA -0.296 61.815 62.100 0.019 0.000 1.008 247 T CB 1.738 70.635 68.868 0.049 0.000 1.259 247 T HN -0.039 nan 8.240 nan 0.000 0.520 248 D N 0.235 120.641 120.400 0.011 0.000 2.424 248 D HA 0.277 4.914 4.640 -0.004 0.000 0.220 248 D C -0.068 176.240 176.300 0.013 0.000 1.150 248 D CA -0.229 53.770 54.000 -0.002 0.000 0.831 248 D CB 0.036 40.828 40.800 -0.014 0.000 0.981 248 D HN 0.536 nan 8.370 nan 0.000 0.500 249 I N 1.674 122.271 120.570 0.045 0.000 2.371 249 I HA 0.184 4.352 4.170 -0.004 0.000 0.290 249 I C 0.946 177.134 176.117 0.118 0.000 1.028 249 I CA -0.634 60.718 61.300 0.087 0.000 1.345 249 I CB 1.569 39.652 38.000 0.138 0.000 1.407 249 I HN -0.194 nan 8.210 nan 0.000 0.501 250 I N 5.484 126.135 120.570 0.135 0.000 2.845 250 I HA -0.050 4.118 4.170 -0.004 0.000 0.296 250 I C 1.133 177.394 176.117 0.241 0.000 1.216 250 I CA 0.118 61.523 61.300 0.174 0.000 1.438 250 I CB 0.463 38.631 38.000 0.280 0.000 1.342 250 I HN 0.690 nan 8.210 nan 0.000 0.577 251 A N 6.718 129.611 122.820 0.121 0.000 2.587 251 A HA 0.013 4.331 4.320 -0.004 0.000 0.235 251 A C 0.110 177.943 177.584 0.414 0.000 1.044 251 A CA 0.566 52.692 52.037 0.149 0.000 0.754 251 A CB -0.266 18.741 19.000 0.012 0.000 0.968 251 A HN 0.886 nan 8.150 nan 0.000 0.509 252 Y N -1.122 119.308 120.300 0.217 0.000 2.729 252 Y HA 0.393 4.940 4.550 -0.004 0.000 0.266 252 Y C 0.784 176.711 175.900 0.045 0.000 1.064 252 Y CA -0.299 57.974 58.100 0.289 0.000 1.251 252 Y CB 0.135 38.693 38.460 0.163 0.000 1.379 252 Y HN 0.497 nan 8.280 nan 0.000 0.569 253 K N 0.677 120.723 120.400 -0.590 0.000 2.437 253 K HA 0.085 4.403 4.320 -0.004 0.000 0.198 253 K C -0.110 176.433 176.600 -0.096 0.000 1.024 253 K CA -0.050 55.663 56.287 -0.957 0.000 1.148 253 K CB 0.389 32.198 32.500 -1.151 0.000 0.860 253 K HN 0.465 nan 8.250 nan 0.000 0.515 254 W N -0.129 121.130 121.300 -0.069 0.000 3.400 254 W HA 0.481 5.139 4.660 -0.004 0.000 0.555 254 W C -0.559 175.850 176.519 -0.184 0.000 1.341 254 W CA -0.414 56.901 57.345 -0.050 0.000 0.877 254 W CB 1.467 30.919 29.460 -0.012 0.000 2.866 254 W HN -0.042 nan 8.180 nan 0.000 0.698 255 G N 0.760 109.299 108.800 -0.436 0.000 2.660 255 G HA2 0.326 4.284 3.960 -0.004 0.000 0.290 255 G HA3 0.326 4.284 3.960 -0.004 0.000 0.290 255 G C -1.738 172.936 174.900 -0.377 0.000 1.432 255 G CA -0.773 43.863 45.100 -0.772 0.000 0.807 255 G HN 0.219 nan 8.290 nan 0.000 0.485 256 Q N -0.762 118.862 119.800 -0.293 0.000 2.286 256 Q HA 0.440 4.778 4.340 -0.004 0.000 0.290 256 Q C 0.212 176.285 176.000 0.122 0.000 1.049 256 Q CA 0.388 56.243 55.803 0.087 0.000 0.923 256 Q CB -0.117 28.713 28.738 0.154 0.000 1.183 256 Q HN 1.174 nan 8.270 nan 0.000 0.383 257 C N 2.901 122.223 119.300 0.037 0.000 3.259 257 C HA 0.461 4.919 4.460 -0.004 0.000 0.344 257 C C 0.978 175.520 174.990 -0.747 0.000 1.401 257 C CA -0.467 58.376 59.018 -0.291 0.000 1.219 257 C CB -0.225 27.446 27.740 -0.115 0.000 1.521 257 C HN 1.134 nan 8.230 nan 0.000 0.455 258 W N 0.705 121.432 121.300 -0.955 0.000 2.364 258 W HA -0.031 4.627 4.660 -0.004 0.000 0.281 258 W C 0.829 177.261 176.519 -0.146 0.000 1.219 258 W CA 2.190 59.137 57.345 -0.663 0.000 1.220 258 W CB -0.927 28.362 29.460 -0.285 0.000 1.127 258 W HN 0.845 nan 8.180 nan 0.000 0.556 259 D N 0.173 119.954 120.400 -1.032 0.000 2.366 259 D HA -0.038 4.600 4.640 -0.004 0.000 0.205 259 D C -0.541 175.532 176.300 -0.379 0.000 1.022 259 D CA 0.613 54.117 54.000 -0.827 0.000 0.868 259 D CB -0.018 39.919 40.800 -1.438 0.000 0.953 259 D HN -0.090 nan 8.370 nan 0.000 0.514 260 D N -0.096 120.136 120.400 -0.280 0.000 2.386 260 D HA 0.081 4.719 4.640 -0.004 0.000 0.247 260 D C 0.218 176.469 176.300 -0.081 0.000 1.336 260 D CA -0.418 53.517 54.000 -0.108 0.000 0.976 260 D CB 1.564 42.401 40.800 0.062 0.000 1.257 260 D HN -0.069 nan 8.370 nan 0.000 0.570 261 V N 2.506 122.295 119.914 -0.209 0.000 3.214 261 V HA 0.189 4.307 4.120 -0.004 0.000 0.330 261 V C 1.710 177.544 176.094 -0.434 0.000 1.403 261 V CA -0.042 62.025 62.300 -0.389 0.000 1.143 261 V CB -0.416 30.948 31.823 -0.765 0.000 1.098 261 V HN 0.629 nan 8.190 nan 0.000 0.463 262 H N -0.628 118.063 119.070 -0.631 0.000 2.524 262 H HA -0.093 4.461 4.556 -0.004 0.000 0.282 262 H C 1.632 176.520 175.328 -0.733 0.000 1.016 262 H CA 1.699 57.105 56.048 -1.070 0.000 1.270 262 H CB -0.428 28.262 29.762 -1.787 0.000 1.394 262 H HN 0.501 nan 8.280 nan 0.000 0.568 263 Y N 1.554 121.428 120.300 -0.711 0.000 2.163 263 Y HA -0.037 4.511 4.550 -0.004 0.000 0.288 263 Y C 3.153 178.967 175.900 -0.143 0.000 1.136 263 Y CA 1.282 59.119 58.100 -0.439 0.000 1.147 263 Y CB -0.472 37.783 38.460 -0.342 0.000 0.987 263 Y HN 0.341 nan 8.280 nan 0.000 0.509 264 G N -0.538 108.281 108.800 0.031 0.000 2.408 264 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.217 264 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.217 264 G C 1.857 176.850 174.900 0.156 0.000 1.150 264 G CA 0.840 46.038 45.100 0.164 0.000 0.776 264 G HN 0.461 nan 8.290 nan 0.000 0.542 265 A N 1.694 124.595 122.820 0.134 0.000 1.902 265 A HA -0.057 4.261 4.320 -0.004 0.000 0.217 265 A C 2.242 179.896 177.584 0.117 0.000 1.181 265 A CA 1.988 54.155 52.037 0.217 0.000 0.623 265 A CB -0.450 18.709 19.000 0.266 0.000 0.818 265 A HN 0.603 nan 8.150 nan 0.000 0.443 266 E N -0.171 120.114 120.200 0.142 0.000 2.152 266 E HA -0.113 4.235 4.350 -0.004 0.000 0.192 266 E C 2.022 178.680 176.600 0.097 0.000 0.983 266 E CA 0.984 57.514 56.400 0.216 0.000 0.818 266 E CB -0.470 29.485 29.700 0.425 0.000 0.758 266 E HN 0.561 nan 8.360 nan 0.000 0.467 267 L N 0.795 122.079 121.223 0.102 0.000 2.017 267 L HA -0.156 4.182 4.340 -0.004 0.000 0.208 267 L C 2.561 179.443 176.870 0.020 0.000 1.073 267 L CA 1.172 56.089 54.840 0.128 0.000 0.745 267 L CB -0.132 42.091 42.059 0.274 0.000 0.894 267 L HN 0.213 nan 8.230 nan 0.000 0.432 268 L N -0.670 120.522 121.223 -0.052 0.000 2.083 268 L HA -0.253 4.085 4.340 -0.004 0.000 0.209 268 L C 2.499 179.218 176.870 -0.251 0.000 1.083 268 L CA 1.087 55.801 54.840 -0.210 0.000 0.752 268 L CB -0.424 41.373 42.059 -0.436 0.000 0.899 268 L HN 0.325 nan 8.230 nan 0.000 0.433 269 L N -0.553 120.505 121.223 -0.275 0.000 2.141 269 L HA -0.177 4.161 4.340 -0.004 0.000 0.209 269 L C 2.845 179.567 176.870 -0.248 0.000 1.094 269 L CA 0.985 55.566 54.840 -0.432 0.000 0.763 269 L CB -0.623 40.838 42.059 -0.996 0.000 0.908 269 L HN 0.241 nan 8.230 nan 0.000 0.437 270 A N 0.115 122.874 122.820 -0.102 0.000 1.877 270 A HA -0.199 4.119 4.320 -0.004 0.000 0.216 270 A C 2.325 179.730 177.584 -0.297 0.000 1.186 270 A CA 1.510 53.578 52.037 0.051 0.000 0.620 270 A CB -0.284 18.809 19.000 0.156 0.000 0.822 270 A HN 0.295 nan 8.150 nan 0.000 0.443 271 K N -0.464 119.550 120.400 -0.643 0.000 2.097 271 K HA 0.002 4.320 4.320 -0.004 0.000 0.205 271 K C 1.821 178.309 176.600 -0.187 0.000 1.050 271 K CA 1.226 57.010 56.287 -0.838 0.000 0.938 271 K CB -0.341 31.687 32.500 -0.787 0.000 0.718 271 K HN 0.463 nan 8.250 nan 0.000 0.442 272 L N 0.530 121.677 121.223 -0.126 0.000 2.156 272 L HA -0.100 4.238 4.340 -0.004 0.000 0.208 272 L C 2.436 179.335 176.870 0.049 0.000 1.095 272 L CA 1.400 56.234 54.840 -0.011 0.000 0.770 272 L CB -0.322 41.706 42.059 -0.051 0.000 0.914 272 L HN 0.345 nan 8.230 nan 0.000 0.439 273 T N -6.115 108.482 114.554 0.072 0.000 2.959 273 T HA 0.087 4.435 4.350 -0.004 0.000 0.254 273 T C 1.040 175.864 174.700 0.207 0.000 1.003 273 T CA 0.290 62.469 62.100 0.132 0.000 0.950 273 T CB 0.094 69.059 68.868 0.163 0.000 1.090 273 T HN 0.183 nan 8.240 nan 0.000 0.503 274 N N 1.128 120.004 118.700 0.294 0.000 2.708 274 N HA -0.165 4.573 4.740 -0.004 0.000 0.251 274 N C -0.758 174.928 175.510 0.293 0.000 1.123 274 N CA 0.709 53.997 53.050 0.396 0.000 0.739 274 N CB -1.473 37.210 38.487 0.328 0.000 1.113 274 N HN 0.663 nan 8.380 nan 0.000 0.561 275 K N 0.215 120.779 120.400 0.274 0.000 2.350 275 K HA 0.025 4.343 4.320 -0.004 0.000 0.279 275 K C 1.153 177.812 176.600 0.098 0.000 1.027 275 K CA -0.301 56.063 56.287 0.130 0.000 0.969 275 K CB 0.858 33.366 32.500 0.013 0.000 0.954 275 K HN 0.141 nan 8.250 nan 0.000 0.474 276 Q N 2.424 122.246 119.800 0.038 0.000 2.135 276 Q HA -0.185 4.153 4.340 -0.004 0.000 0.204 276 Q C 1.651 177.641 176.000 -0.017 0.000 0.981 276 Q CA 1.403 57.234 55.803 0.047 0.000 0.856 276 Q CB -0.165 28.585 28.738 0.020 0.000 0.902 276 Q HN 0.669 nan 8.270 nan 0.000 0.425 277 L N -0.530 120.583 121.223 -0.184 0.000 2.013 277 L HA -0.226 4.112 4.340 -0.004 0.000 0.212 277 L C 1.681 178.452 176.870 -0.164 0.000 1.073 277 L CA 1.983 56.659 54.840 -0.272 0.000 0.753 277 L CB -0.846 40.890 42.059 -0.539 0.000 0.890 277 L HN 0.319 nan 8.230 nan 0.000 0.432 278 Y N -0.085 120.275 120.300 0.099 0.000 2.263 278 Y HA -0.096 4.452 4.550 -0.004 0.000 0.292 278 Y C 2.456 178.451 175.900 0.159 0.000 1.130 278 Y CA 1.179 59.359 58.100 0.134 0.000 1.179 278 Y CB -0.821 37.711 38.460 0.120 0.000 0.998 278 Y HN 0.204 nan 8.280 nan 0.000 0.532 279 K N 0.051 120.656 120.400 0.340 0.000 2.057 279 K HA -0.157 4.160 4.320 -0.004 0.000 0.207 279 K C 1.539 178.279 176.600 0.233 0.000 1.049 279 K CA 1.649 58.166 56.287 0.384 0.000 0.931 279 K CB -0.222 32.554 32.500 0.460 0.000 0.714 279 K HN 0.190 nan 8.250 nan 0.000 0.440 280 D N 0.481 120.978 120.400 0.163 0.000 2.117 280 D HA -0.098 4.540 4.640 -0.004 0.000 0.197 280 D C 1.975 178.326 176.300 0.085 0.000 0.987 280 D CA 1.148 55.209 54.000 0.101 0.000 0.829 280 D CB -0.172 40.659 40.800 0.053 0.000 0.961 280 D HN 0.016 nan 8.370 nan 0.000 0.460 281 S N 0.359 116.133 115.700 0.124 0.000 2.355 281 S HA -0.121 4.346 4.470 -0.004 0.000 0.222 281 S C 1.945 176.632 174.600 0.145 0.000 1.031 281 S CA 0.346 58.643 58.200 0.162 0.000 0.993 281 S CB -0.118 63.244 63.200 0.269 0.000 0.859 281 S HN 0.180 nan 8.310 nan 0.000 0.453 282 I N 2.054 122.676 120.570 0.086 0.000 2.439 282 I HA -0.081 4.087 4.170 -0.004 0.000 0.251 282 I C 2.003 178.041 176.117 -0.132 0.000 1.139 282 I CA 1.359 62.632 61.300 -0.045 0.000 1.438 282 I CB -0.371 37.495 38.000 -0.222 0.000 1.085 282 I HN 0.224 nan 8.210 nan 0.000 0.427 283 E N -0.289 119.858 120.200 -0.088 0.000 2.204 283 E HA -0.242 4.106 4.350 -0.004 0.000 0.194 283 E C 2.174 178.832 176.600 0.096 0.000 0.989 283 E CA 1.256 57.684 56.400 0.046 0.000 0.824 283 E CB -0.198 29.614 29.700 0.186 0.000 0.756 283 E HN 0.532 nan 8.360 nan 0.000 0.477 284 M N 1.157 120.785 119.600 0.046 0.000 2.132 284 M HA -0.188 4.290 4.480 -0.004 0.000 0.263 284 M C 2.167 178.557 176.300 0.150 0.000 1.065 284 M CA 1.340 56.614 55.300 -0.043 0.000 1.122 284 M CB -0.076 32.359 32.600 -0.276 0.000 1.365 284 M HN 0.041 nan 8.290 nan 0.000 0.411 285 N N 0.361 119.216 118.700 0.260 0.000 2.058 285 N HA -0.169 4.569 4.740 -0.004 0.000 0.191 285 N C 1.717 177.430 175.510 0.338 0.000 1.037 285 N CA 1.480 54.779 53.050 0.416 0.000 0.848 285 N CB -0.163 38.547 38.487 0.373 0.000 1.021 285 N HN 0.392 nan 8.380 nan 0.000 0.422 286 L N 0.733 121.986 121.223 0.050 0.000 2.083 286 L HA -0.154 4.184 4.340 -0.004 0.000 0.209 286 L C 1.856 178.769 176.870 0.071 0.000 1.083 286 L CA 1.032 55.771 54.840 -0.169 0.000 0.752 286 L CB -0.493 41.141 42.059 -0.709 0.000 0.899 286 L HN 0.154 nan 8.230 nan 0.000 0.433 287 D N -0.169 120.370 120.400 0.231 0.000 2.117 287 D HA -0.209 4.429 4.640 -0.004 0.000 0.198 287 D C 1.913 178.364 176.300 0.250 0.000 0.982 287 D CA 1.098 55.255 54.000 0.262 0.000 0.828 287 D CB -0.257 40.671 40.800 0.214 0.000 0.967 287 D HN 0.236 nan 8.370 nan 0.000 0.464 288 F N -0.354 119.706 119.950 0.184 0.000 2.161 288 F HA -0.201 4.324 4.527 -0.004 0.000 0.300 288 F C 1.670 177.497 175.800 0.046 0.000 1.089 288 F CA 1.276 59.379 58.000 0.172 0.000 1.282 288 F CB -0.155 39.041 39.000 0.327 0.000 1.010 288 F HN -0.053 nan 8.300 nan 0.000 0.485 289 W N 0.642 121.915 121.300 -0.045 0.000 2.905 289 W HA 0.026 4.684 4.660 -0.004 0.000 0.251 289 W C 2.227 178.596 176.519 -0.251 0.000 1.305 289 W CA 1.432 58.630 57.345 -0.245 0.000 1.465 289 W CB -0.295 28.943 29.460 -0.370 0.000 1.122 289 W HN 0.126 nan 8.180 nan 0.000 0.659 290 T N -5.835 108.723 114.554 0.006 0.000 3.463 290 T HA 0.002 4.349 4.350 -0.004 0.000 0.203 290 T C 1.773 176.490 174.700 0.028 0.000 0.955 290 T CA 1.180 63.302 62.100 0.037 0.000 1.230 290 T CB -0.629 68.264 68.868 0.042 0.000 1.392 290 T HN -0.078 nan 8.240 nan 0.000 0.361 291 T N -0.417 114.166 114.554 0.047 0.000 3.023 291 T HA 0.460 4.808 4.350 -0.004 0.000 0.266 291 T C 1.364 176.067 174.700 0.005 0.000 1.093 291 T CA 0.662 62.771 62.100 0.016 0.000 1.129 291 T CB -1.018 67.873 68.868 0.038 0.000 0.899 291 T HN 1.638 nan 8.240 nan 0.000 0.491 292 G N -0.181 108.635 108.800 0.026 0.000 2.662 292 G HA2 0.194 4.152 3.960 -0.004 0.000 0.686 292 G HA3 0.194 4.152 3.960 -0.004 0.000 0.686 292 G C -1.093 173.877 174.900 0.117 0.000 1.271 292 G CA -0.496 44.626 45.100 0.037 0.000 0.816 292 G HN 1.130 nan 8.290 nan 0.000 0.608 293 V N 1.240 121.267 119.914 0.188 0.000 2.851 293 V HA 0.689 4.807 4.120 -0.004 0.000 0.307 293 V C 0.544 176.735 176.094 0.162 0.000 1.129 293 V CA 0.205 62.596 62.300 0.152 0.000 0.932 293 V CB 1.676 33.574 31.823 0.125 0.000 1.024 293 V HN 1.622 nan 8.190 nan 0.000 0.426 294 N N 4.335 123.092 118.700 0.096 0.000 2.716 294 N HA -0.215 4.523 4.740 -0.004 0.000 0.250 294 N C 1.055 176.634 175.510 0.114 0.000 1.033 294 N CA 1.692 54.798 53.050 0.093 0.000 0.727 294 N CB -0.957 37.586 38.487 0.094 0.000 0.950 294 N HN 1.861 nan 8.380 nan 0.000 0.541 295 G N -1.506 107.354 108.800 0.101 0.000 2.168 295 G HA2 -0.347 3.611 3.960 -0.004 0.000 0.263 295 G HA3 -0.347 3.611 3.960 -0.004 0.000 0.263 295 G C 0.264 175.236 174.900 0.119 0.000 0.977 295 G CA 1.220 46.374 45.100 0.090 0.000 0.659 295 G HN 1.053 nan 8.290 nan 0.000 0.533 296 T N -2.874 111.795 114.554 0.192 0.000 2.885 296 T HA 0.801 5.148 4.350 -0.004 0.000 0.285 296 T C -0.453 174.372 174.700 0.209 0.000 1.019 296 T CA -0.340 61.923 62.100 0.272 0.000 1.010 296 T CB 2.973 72.106 68.868 0.443 0.000 1.022 296 T HN 0.845 nan 8.240 nan 0.000 0.466 297 R N 1.231 121.703 120.500 -0.047 0.000 2.634 297 R HA 0.552 4.890 4.340 -0.004 0.000 0.263 297 R C -1.330 174.404 176.300 -0.943 0.000 1.060 297 R CA -0.798 54.968 56.100 -0.556 0.000 0.898 297 R CB 2.212 32.376 30.300 -0.227 0.000 1.253 297 R HN 0.691 nan 8.270 nan 0.000 0.461 298 V N 2.794 121.786 119.914 -1.536 0.000 2.999 298 V HA 0.169 4.287 4.120 -0.004 0.000 0.307 298 V C -0.074 175.761 176.094 -0.432 0.000 1.084 298 V CA 0.423 62.066 62.300 -1.095 0.000 1.155 298 V CB 1.513 32.462 31.823 -1.457 0.000 0.975 298 V HN 0.900 nan 8.190 nan 0.000 0.490 299 S N 4.837 120.391 115.700 -0.243 0.000 2.572 299 S HA 0.357 4.825 4.470 -0.004 0.000 0.279 299 S C -0.919 173.645 174.600 -0.061 0.000 1.341 299 S CA 0.190 58.358 58.200 -0.052 0.000 1.043 299 S CB 0.356 63.582 63.200 0.044 0.000 0.887 299 S HN 0.616 nan 8.310 nan 0.000 0.516 300 Y N 0.621 120.871 120.300 -0.084 0.000 2.409 300 Y HA 0.360 4.908 4.550 -0.004 0.000 0.343 300 Y C 0.999 176.849 175.900 -0.083 0.000 0.973 300 Y CA -0.774 57.294 58.100 -0.054 0.000 1.064 300 Y CB 1.515 39.953 38.460 -0.036 0.000 1.207 300 Y HN 0.742 nan 8.280 nan 0.000 0.452 301 T N 0.038 114.597 114.554 0.008 0.000 2.828 301 T HA 0.220 4.567 4.350 -0.004 0.000 0.290 301 T C -2.013 172.719 174.700 0.053 0.000 1.019 301 T CA -1.660 60.405 62.100 -0.058 0.000 1.031 301 T CB 1.263 70.067 68.868 -0.106 0.000 1.001 301 T HN 0.358 nan 8.240 nan 0.000 0.531 302 P HA -0.028 nan 4.420 nan 0.000 0.218 302 P C 0.949 178.316 177.300 0.112 0.000 1.148 302 P CA 1.205 64.340 63.100 0.058 0.000 0.822 302 P CB 0.051 31.769 31.700 0.030 0.000 0.784 303 K N -1.775 118.726 120.400 0.168 0.000 2.458 303 K HA 0.274 4.592 4.320 -0.004 0.000 0.194 303 K C 0.905 177.707 176.600 0.336 0.000 1.024 303 K CA 0.590 57.029 56.287 0.252 0.000 1.108 303 K CB -0.191 32.492 32.500 0.305 0.000 0.846 303 K HN 0.131 nan 8.250 nan 0.000 0.518 304 G N 1.624 110.582 108.800 0.263 0.000 2.148 304 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.203 304 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.203 304 G C -0.404 174.608 174.900 0.187 0.000 0.993 304 G CA -0.450 44.842 45.100 0.319 0.000 0.661 304 G HN 0.207 nan 8.290 nan 0.000 0.518 305 L N 1.779 122.891 121.223 -0.185 0.000 2.281 305 L HA 0.811 5.149 4.340 -0.004 0.000 0.285 305 L C 0.789 177.382 176.870 -0.462 0.000 1.074 305 L CA -0.234 54.273 54.840 -0.556 0.000 0.817 305 L CB 0.731 42.161 42.059 -1.047 0.000 1.168 305 L HN 0.829 nan 8.230 nan 0.000 0.434 306 A N 5.500 127.972 122.820 -0.580 0.000 2.476 306 A HA 0.141 4.459 4.320 -0.004 0.000 0.275 306 A C -0.894 176.513 177.584 -0.296 0.000 1.133 306 A CA -0.160 51.388 52.037 -0.814 0.000 0.797 306 A CB -0.707 18.171 19.000 -0.203 0.000 1.081 306 A HN 0.845 nan 8.150 nan 0.000 0.510 307 W N 4.214 125.196 121.300 -0.531 0.000 2.278 307 W HA 0.467 5.124 4.660 -0.004 0.000 0.317 307 W C 0.385 176.694 176.519 -0.349 0.000 1.030 307 W CA -0.604 56.536 57.345 -0.342 0.000 1.334 307 W CB 1.300 30.595 29.460 -0.276 0.000 1.215 307 W HN 0.629 nan 8.180 nan 0.000 0.405 308 L N 5.876 126.773 121.223 -0.544 0.000 2.127 308 L HA 0.368 4.705 4.340 -0.004 0.000 0.203 308 L C -0.255 176.275 176.870 -0.566 0.000 1.080 308 L CA 1.479 55.944 54.840 -0.624 0.000 0.768 308 L CB -0.396 41.205 42.059 -0.764 0.000 0.924 308 L HN 0.296 nan 8.230 nan 0.000 0.444 309 F N -1.623 117.665 119.950 -1.103 0.000 2.713 309 F HA 0.221 4.746 4.527 -0.003 0.000 0.311 309 F C 0.681 175.787 175.800 -1.157 0.000 1.141 309 F CA -0.597 56.927 58.000 -0.793 0.000 0.939 309 F CB 0.839 39.666 39.000 -0.288 0.000 1.325 309 F HN 0.168 nan 8.300 nan 0.000 0.453 310 Q N 0.606 119.796 119.800 -1.018 0.000 2.224 310 Q HA -0.023 4.315 4.340 -0.004 0.000 0.203 310 Q C -0.619 174.903 176.000 -0.797 0.000 0.970 310 Q CA 1.076 56.440 55.803 -0.732 0.000 0.865 310 Q CB -0.046 28.369 28.738 -0.538 0.000 0.922 310 Q HN 0.504 nan 8.270 nan 0.000 0.445 311 W N 1.240 122.158 121.300 -0.638 0.000 2.331 311 W HA 0.493 5.151 4.660 -0.004 0.000 0.306 311 W C 0.749 177.227 176.519 -0.069 0.000 1.162 311 W CA 0.253 57.467 57.345 -0.217 0.000 1.232 311 W CB 1.312 30.715 29.460 -0.095 0.000 1.235 311 W HN 0.293 nan 8.180 nan 0.000 0.479 312 G N 2.071 110.897 108.800 0.043 0.000 2.371 312 G HA2 -0.373 3.585 3.960 -0.004 0.000 0.299 312 G HA3 -0.373 3.585 3.960 -0.004 0.000 0.299 312 G C 1.068 175.774 174.900 -0.324 0.000 1.014 312 G CA 0.568 45.443 45.100 -0.374 0.000 1.097 312 G HN 0.699 nan 8.290 nan 0.000 0.512 313 S N -0.908 114.602 115.700 -0.317 0.000 2.382 313 S HA -0.052 4.415 4.470 -0.004 0.000 0.228 313 S C 2.311 176.731 174.600 -0.299 0.000 1.027 313 S CA 1.348 59.325 58.200 -0.371 0.000 0.991 313 S CB -0.175 62.726 63.200 -0.499 0.000 0.823 313 S HN 0.511 nan 8.310 nan 0.000 0.469 314 L N 1.278 122.284 121.223 -0.363 0.000 2.093 314 L HA -0.010 4.328 4.340 -0.004 0.000 0.208 314 L C 3.181 179.837 176.870 -0.357 0.000 1.085 314 L CA 1.221 55.839 54.840 -0.371 0.000 0.755 314 L CB -0.544 41.252 42.059 -0.437 0.000 0.904 314 L HN 0.341 nan 8.230 nan 0.000 0.435 315 R N -0.040 120.185 120.500 -0.459 0.000 2.096 315 R HA -0.219 4.119 4.340 -0.004 0.000 0.240 315 R C 2.192 178.329 176.300 -0.271 0.000 1.139 315 R CA 1.894 57.759 56.100 -0.391 0.000 0.952 315 R CB -0.596 29.327 30.300 -0.629 0.000 0.854 315 R HN 0.437 nan 8.270 nan 0.000 0.436 316 H N 0.053 119.005 119.070 -0.197 0.000 2.326 316 H HA -0.011 4.543 4.556 -0.004 0.000 0.301 316 H C 1.998 177.169 175.328 -0.261 0.000 1.081 316 H CA 1.663 57.593 56.048 -0.197 0.000 1.334 316 H CB -0.320 29.343 29.762 -0.165 0.000 1.385 316 H HN 0.416 nan 8.280 nan 0.000 0.504 317 A N 0.721 123.511 122.820 -0.050 0.000 1.902 317 A HA -0.167 4.150 4.320 -0.004 0.000 0.217 317 A C 2.662 180.134 177.584 -0.186 0.000 1.181 317 A CA 2.465 54.450 52.037 -0.087 0.000 0.623 317 A CB -0.933 18.011 19.000 -0.092 0.000 0.818 317 A HN 0.589 nan 8.150 nan 0.000 0.443 318 T N -3.741 110.730 114.554 -0.139 0.000 2.951 318 T HA -0.072 4.276 4.350 -0.004 0.000 0.268 318 T C 1.713 176.435 174.700 0.038 0.000 1.073 318 T CA 1.865 63.945 62.100 -0.034 0.000 1.134 318 T CB -0.681 68.211 68.868 0.039 0.000 0.884 318 T HN 0.301 nan 8.240 nan 0.000 0.479 319 T N 1.813 116.368 114.554 0.001 0.000 2.812 319 T HA -0.035 4.313 4.350 -0.004 0.000 0.264 319 T C 2.161 176.868 174.700 0.012 0.000 1.042 319 T CA 0.880 63.032 62.100 0.087 0.000 1.140 319 T CB -0.235 68.695 68.868 0.103 0.000 0.870 319 T HN 0.282 nan 8.240 nan 0.000 0.445 320 Q N 0.934 120.602 119.800 -0.220 0.000 2.170 320 Q HA 0.056 4.393 4.340 -0.004 0.000 0.203 320 Q C 2.678 178.689 176.000 0.019 0.000 0.976 320 Q CA 1.348 56.956 55.803 -0.325 0.000 0.858 320 Q CB -0.707 27.491 28.738 -0.899 0.000 0.907 320 Q HN 0.567 nan 8.270 nan 0.000 0.433 321 A N 0.616 123.428 122.820 -0.013 0.000 1.908 321 A HA -0.201 4.117 4.320 -0.004 0.000 0.218 321 A C 1.931 179.564 177.584 0.083 0.000 1.181 321 A CA 1.437 53.450 52.037 -0.040 0.000 0.627 321 A CB -0.845 18.051 19.000 -0.173 0.000 0.818 321 A HN 0.367 nan 8.150 nan 0.000 0.445 322 F N 0.387 120.303 119.950 -0.057 0.000 2.069 322 F HA -0.146 4.379 4.527 -0.004 0.000 0.298 322 F C 1.774 177.508 175.800 -0.109 0.000 1.113 322 F CA 1.688 59.637 58.000 -0.086 0.000 1.214 322 F CB -0.636 38.305 39.000 -0.098 0.000 0.978 322 F HN 0.127 nan 8.300 nan 0.000 0.474 323 L N 0.573 121.612 121.223 -0.306 0.000 2.046 323 L HA -0.128 4.210 4.340 -0.004 0.000 0.208 323 L C 2.766 179.523 176.870 -0.188 0.000 1.077 323 L CA 1.890 56.514 54.840 -0.360 0.000 0.747 323 L CB -1.566 40.410 42.059 -0.138 0.000 0.896 323 L HN 0.248 nan 8.230 nan 0.000 0.432 324 A N -0.532 122.234 122.820 -0.089 0.000 1.933 324 A HA -0.105 4.213 4.320 -0.004 0.000 0.218 324 A C 2.428 180.065 177.584 0.087 0.000 1.175 324 A CA 1.690 53.711 52.037 -0.027 0.000 0.628 324 A CB -1.327 17.773 19.000 0.166 0.000 0.814 324 A HN 0.438 nan 8.150 nan 0.000 0.444 325 G N -0.555 108.261 108.800 0.026 0.000 2.404 325 G HA2 -0.089 3.869 3.960 -0.004 0.000 0.215 325 G HA3 -0.089 3.869 3.960 -0.004 0.000 0.215 325 G C 1.520 176.416 174.900 -0.006 0.000 1.174 325 G CA 1.219 46.336 45.100 0.028 0.000 0.780 325 G HN 0.306 nan 8.290 nan 0.000 0.537 326 V N -0.215 119.596 119.914 -0.172 0.000 2.261 326 V HA -0.220 3.898 4.120 -0.004 0.000 0.246 326 V C 2.291 178.444 176.094 0.098 0.000 1.047 326 V CA 1.907 64.130 62.300 -0.128 0.000 1.015 326 V CB -0.742 30.845 31.823 -0.393 0.000 0.642 326 V HN 0.475 nan 8.190 nan 0.000 0.446 327 Y N 0.998 121.322 120.300 0.039 0.000 2.181 327 Y HA -0.187 4.361 4.550 -0.004 0.000 0.288 327 Y C 2.429 178.523 175.900 0.323 0.000 1.146 327 Y CA 1.505 59.728 58.100 0.206 0.000 1.164 327 Y CB -0.345 38.206 38.460 0.153 0.000 0.982 327 Y HN 0.173 nan 8.280 nan 0.000 0.515 328 A N 0.094 123.104 122.820 0.317 0.000 1.978 328 A HA -0.223 4.094 4.320 -0.004 0.000 0.220 328 A C 1.963 179.620 177.584 0.122 0.000 1.170 328 A CA 1.994 54.192 52.037 0.269 0.000 0.636 328 A CB -0.599 18.577 19.000 0.293 0.000 0.810 328 A HN 0.648 nan 8.150 nan 0.000 0.448 329 E N -2.292 117.980 120.200 0.120 0.000 2.358 329 E HA -0.084 4.264 4.350 -0.004 0.000 0.195 329 E C 0.139 176.820 176.600 0.134 0.000 1.010 329 E CA -0.283 56.178 56.400 0.102 0.000 0.856 329 E CB 0.036 29.795 29.700 0.098 0.000 0.795 329 E HN 0.737 nan 8.360 nan 0.000 0.504 330 W N 1.874 123.114 121.300 -0.101 0.000 2.238 330 W HA 0.129 4.787 4.660 -0.004 0.000 0.321 330 W C 1.280 177.721 176.519 -0.129 0.000 1.293 330 W CA 0.384 57.657 57.345 -0.119 0.000 1.204 330 W CB 0.505 29.852 29.460 -0.188 0.000 1.167 330 W HN -0.020 nan 8.180 nan 0.000 0.553 331 E N 3.124 122.984 120.200 -0.566 0.000 2.209 331 E HA -0.112 4.236 4.350 -0.004 0.000 0.196 331 E C 1.831 177.882 176.600 -0.916 0.000 0.993 331 E CA 1.584 57.627 56.400 -0.594 0.000 0.819 331 E CB -0.889 28.575 29.700 -0.393 0.000 0.745 331 E HN 0.779 nan 8.360 nan 0.000 0.477 332 G N -0.793 106.815 108.800 -1.986 0.000 2.744 332 G HA2 0.074 4.032 3.960 -0.004 0.000 0.211 332 G HA3 0.074 4.032 3.960 -0.004 0.000 0.211 332 G C 0.906 175.337 174.900 -0.782 0.000 1.143 332 G CA 0.522 44.581 45.100 -1.736 0.000 0.788 332 G HN 0.610 nan 8.290 nan 0.000 0.534 333 C N 2.184 121.145 119.300 -0.565 0.000 2.653 333 C HA 0.417 4.875 4.460 -0.004 0.000 0.421 333 C C 1.221 176.178 174.990 -0.055 0.000 1.334 333 C CA -0.448 58.461 59.018 -0.182 0.000 1.885 333 C CB -0.646 26.980 27.740 -0.189 0.000 2.645 333 C HN 0.331 nan 8.230 nan 0.000 0.601 334 T N 10.079 124.688 114.554 0.091 0.000 2.822 334 T HA 0.039 4.386 4.350 -0.004 0.000 0.288 334 T C -1.380 173.298 174.700 -0.038 0.000 0.991 334 T CA 0.040 62.155 62.100 0.024 0.000 1.176 334 T CB 0.500 69.404 68.868 0.059 0.000 0.951 334 T HN 0.689 nan 8.240 nan 0.000 0.526 335 P HA -0.175 nan 4.420 nan 0.000 0.216 335 P C 1.775 179.036 177.300 -0.065 0.000 1.154 335 P CA 1.164 64.227 63.100 -0.062 0.000 0.865 335 P CB -0.008 31.659 31.700 -0.055 0.000 0.789 336 S N -1.056 114.606 115.700 -0.063 0.000 2.474 336 S HA -0.083 4.385 4.470 -0.004 0.000 0.235 336 S C 1.589 176.115 174.600 -0.122 0.000 0.997 336 S CA 0.919 59.078 58.200 -0.070 0.000 0.949 336 S CB -0.790 62.380 63.200 -0.050 0.000 0.766 336 S HN 0.215 nan 8.310 nan 0.000 0.517 337 K N 0.521 120.803 120.400 -0.197 0.000 2.379 337 K HA 0.259 4.577 4.320 -0.004 0.000 0.194 337 K C 1.685 178.004 176.600 -0.469 0.000 1.031 337 K CA 0.365 56.384 56.287 -0.447 0.000 1.037 337 K CB -0.020 32.073 32.500 -0.677 0.000 0.824 337 K HN 0.198 nan 8.250 nan 0.000 0.516 338 V N 1.983 121.782 119.914 -0.193 0.000 2.252 338 V HA -0.326 3.792 4.120 -0.004 0.000 0.249 338 V C 2.431 178.526 176.094 0.002 0.000 1.056 338 V CA 2.525 64.796 62.300 -0.047 0.000 1.022 338 V CB -0.624 31.191 31.823 -0.014 0.000 0.641 338 V HN 0.443 nan 8.190 nan 0.000 0.445 339 S N -0.646 115.043 115.700 -0.019 0.000 2.402 339 S HA -0.128 4.340 4.470 -0.004 0.000 0.229 339 S C 1.914 176.546 174.600 0.054 0.000 1.021 339 S CA 1.431 59.644 58.200 0.023 0.000 0.974 339 S CB -0.431 62.777 63.200 0.013 0.000 0.800 339 S HN 0.319 nan 8.310 nan 0.000 0.484 340 V N 0.905 120.821 119.914 0.003 0.000 2.295 340 V HA -0.145 3.973 4.120 -0.004 0.000 0.246 340 V C 2.443 178.697 176.094 0.267 0.000 1.049 340 V CA 1.712 64.052 62.300 0.067 0.000 1.024 340 V CB -1.029 30.762 31.823 -0.053 0.000 0.648 340 V HN 0.444 nan 8.190 nan 0.000 0.447 341 Y N 0.816 121.205 120.300 0.147 0.000 2.200 341 Y HA -0.112 4.436 4.550 -0.004 0.000 0.290 341 Y C 2.440 178.472 175.900 0.221 0.000 1.137 341 Y CA 0.761 58.981 58.100 0.199 0.000 1.163 341 Y CB -0.882 37.694 38.460 0.192 0.000 0.988 341 Y HN 0.270 nan 8.280 nan 0.000 0.518 342 K N -0.186 120.389 120.400 0.292 0.000 2.148 342 K HA -0.145 4.173 4.320 -0.004 0.000 0.204 342 K C 1.515 178.186 176.600 0.119 0.000 1.050 342 K CA 1.405 57.780 56.287 0.147 0.000 0.942 342 K CB -0.125 32.408 32.500 0.055 0.000 0.724 342 K HN 0.183 nan 8.250 nan 0.000 0.446 343 D N 0.357 120.855 120.400 0.163 0.000 2.144 343 D HA -0.142 4.496 4.640 -0.004 0.000 0.200 343 D C 1.530 177.966 176.300 0.226 0.000 0.978 343 D CA 0.769 54.862 54.000 0.155 0.000 0.833 343 D CB -0.126 40.767 40.800 0.155 0.000 0.961 343 D HN 0.087 nan 8.370 nan 0.000 0.470 344 F N 1.276 121.318 119.950 0.153 0.000 2.146 344 F HA -0.115 4.409 4.527 -0.003 0.000 0.298 344 F C 2.004 177.883 175.800 0.132 0.000 1.096 344 F CA 0.696 58.804 58.000 0.180 0.000 1.275 344 F CB -0.354 38.783 39.000 0.227 0.000 1.008 344 F HN -0.067 nan 8.300 nan 0.000 0.480 345 L N 1.254 122.526 121.223 0.081 0.000 2.012 345 L HA -0.198 4.140 4.340 -0.004 0.000 0.210 345 L C 2.417 179.230 176.870 -0.094 0.000 1.073 345 L CA 2.469 57.264 54.840 -0.075 0.000 0.748 345 L CB -1.242 40.831 42.059 0.022 0.000 0.891 345 L HN 0.265 nan 8.230 nan 0.000 0.431 346 K N -0.515 119.865 120.400 -0.033 0.000 2.026 346 K HA -0.175 4.143 4.320 -0.004 0.000 0.208 346 K C 2.226 178.869 176.600 0.071 0.000 1.048 346 K CA 1.664 57.954 56.287 0.005 0.000 0.929 346 K CB -0.285 32.226 32.500 0.018 0.000 0.713 346 K HN 0.662 nan 8.250 nan 0.000 0.439 347 S N 0.385 116.127 115.700 0.069 0.000 2.368 347 S HA -0.172 4.296 4.470 -0.004 0.000 0.225 347 S C 1.944 176.589 174.600 0.076 0.000 1.030 347 S CA 0.858 59.128 58.200 0.118 0.000 0.999 347 S CB -0.309 62.990 63.200 0.165 0.000 0.844 347 S HN 0.322 nan 8.310 nan 0.000 0.459 348 Q N 0.779 120.513 119.800 -0.110 0.000 2.083 348 Q HA 0.142 4.480 4.340 -0.004 0.000 0.198 348 Q C 2.372 178.372 176.000 -0.000 0.000 0.969 348 Q CA 0.788 56.501 55.803 -0.151 0.000 0.838 348 Q CB -0.539 27.913 28.738 -0.477 0.000 0.900 348 Q HN 0.492 nan 8.270 nan 0.000 0.436 349 I N 1.613 122.199 120.570 0.027 0.000 2.252 349 I HA -0.218 3.950 4.170 -0.004 0.000 0.245 349 I C 1.448 177.667 176.117 0.170 0.000 1.102 349 I CA 1.279 62.670 61.300 0.152 0.000 1.385 349 I CB -0.980 37.106 38.000 0.144 0.000 1.064 349 I HN 0.131 nan 8.210 nan 0.000 0.414 350 D N -0.333 120.167 120.400 0.166 0.000 2.178 350 D HA -0.230 4.408 4.640 -0.004 0.000 0.201 350 D C 2.050 178.340 176.300 -0.017 0.000 0.980 350 D CA 0.951 54.986 54.000 0.059 0.000 0.842 350 D CB -0.341 40.630 40.800 0.283 0.000 0.948 350 D HN 0.347 nan 8.370 nan 0.000 0.472 351 Y N 1.383 121.686 120.300 0.006 0.000 2.200 351 Y HA -0.141 4.407 4.550 -0.003 0.000 0.290 351 Y C 2.244 178.186 175.900 0.069 0.000 1.137 351 Y CA 1.591 59.714 58.100 0.037 0.000 1.163 351 Y CB -0.297 38.174 38.460 0.018 0.000 0.988 351 Y HN -0.046 nan 8.280 nan 0.000 0.518 352 A N -0.027 122.939 122.820 0.243 0.000 1.930 352 A HA -0.116 4.202 4.320 -0.004 0.000 0.217 352 A C 2.189 179.851 177.584 0.131 0.000 1.175 352 A CA 1.752 53.895 52.037 0.177 0.000 0.627 352 A CB -0.948 18.043 19.000 -0.015 0.000 0.815 352 A HN 0.536 nan 8.150 nan 0.000 0.443 353 L N -2.363 118.849 121.223 -0.017 0.000 2.270 353 L HA 0.179 4.517 4.340 -0.004 0.000 0.210 353 L C 1.722 178.430 176.870 -0.271 0.000 1.104 353 L CA 0.922 55.695 54.840 -0.113 0.000 0.804 353 L CB -0.024 41.879 42.059 -0.260 0.000 0.937 353 L HN 0.579 nan 8.230 nan 0.000 0.450 354 G N -1.240 107.303 108.800 -0.427 0.000 4.199 354 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.220 354 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.220 354 G C 0.935 175.789 174.900 -0.077 0.000 0.841 354 G CA 0.310 45.265 45.100 -0.242 0.000 0.973 354 G HN 0.188 nan 8.290 nan 0.000 0.743 355 S N 0.417 116.053 115.700 -0.107 0.000 2.469 355 S HA -0.097 4.371 4.470 -0.004 0.000 0.238 355 S C 2.157 176.746 174.600 -0.019 0.000 0.998 355 S CA 2.241 60.491 58.200 0.083 0.000 0.957 355 S CB -0.506 62.772 63.200 0.130 0.000 0.764 355 S HN 1.013 nan 8.310 nan 0.000 0.514 356 T N -3.444 111.002 114.554 -0.180 0.000 3.107 356 T HA 0.541 4.889 4.350 -0.004 0.000 0.249 356 T C 1.492 176.133 174.700 -0.098 0.000 1.096 356 T CA 0.583 62.592 62.100 -0.153 0.000 1.012 356 T CB 0.016 68.736 68.868 -0.247 0.000 0.977 356 T HN 1.132 nan 8.240 nan 0.000 0.527 357 G N 1.676 110.426 108.800 -0.083 0.000 2.201 357 G HA2 -0.139 3.819 3.960 -0.004 0.000 0.212 357 G HA3 -0.139 3.819 3.960 -0.004 0.000 0.212 357 G C 0.026 174.857 174.900 -0.114 0.000 0.994 357 G CA -0.181 44.881 45.100 -0.064 0.000 0.644 357 G HN 0.981 nan 8.290 nan 0.000 0.508 358 R N -0.424 119.946 120.500 -0.216 0.000 2.707 358 R HA 0.797 5.135 4.340 -0.004 0.000 0.272 358 R C -0.463 175.577 176.300 -0.433 0.000 1.011 358 R CA -0.030 55.892 56.100 -0.295 0.000 0.893 358 R CB 0.812 30.905 30.300 -0.345 0.000 1.233 358 R HN 0.642 nan 8.270 nan 0.000 0.464 359 S N 0.745 116.246 115.700 -0.333 0.000 2.586 359 S HA 0.418 4.886 4.470 -0.004 0.000 0.274 359 S C -0.489 173.841 174.600 -0.450 0.000 1.281 359 S CA -0.661 57.396 58.200 -0.239 0.000 1.035 359 S CB 0.190 63.397 63.200 0.011 0.000 0.962 359 S HN 0.535 nan 8.310 nan 0.000 0.512 360 F N 2.777 122.653 119.950 -0.123 0.000 2.647 360 F HA 0.350 4.875 4.527 -0.003 0.000 0.300 360 F C -0.068 175.660 175.800 -0.120 0.000 1.106 360 F CA -0.320 57.561 58.000 -0.197 0.000 1.313 360 F CB 0.920 39.761 39.000 -0.266 0.000 1.007 360 F HN 0.251 nan 8.300 nan 0.000 0.536 361 V N 1.472 121.441 119.914 0.092 0.000 2.347 361 V HA 0.228 4.346 4.120 -0.004 0.000 0.280 361 V C 0.292 176.464 176.094 0.130 0.000 1.021 361 V CA -1.216 61.152 62.300 0.113 0.000 0.847 361 V CB 1.422 33.337 31.823 0.154 0.000 0.990 361 V HN -0.169 nan 8.190 nan 0.000 0.444 362 V N 4.825 124.785 119.914 0.078 0.000 2.644 362 V HA 0.243 4.361 4.120 -0.004 0.000 0.305 362 V C 1.552 177.709 176.094 0.105 0.000 1.053 362 V CA 1.526 63.852 62.300 0.043 0.000 1.186 362 V CB 0.326 32.148 31.823 -0.002 0.000 0.895 362 V HN 1.324 nan 8.190 nan 0.000 0.490 363 G N 3.627 112.450 108.800 0.039 0.000 2.203 363 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.263 363 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.263 363 G C -0.344 174.775 174.900 0.366 0.000 1.012 363 G CA 0.813 45.990 45.100 0.129 0.000 0.749 363 G HN 1.263 nan 8.290 nan 0.000 0.512 364 Y N -0.365 120.003 120.300 0.114 0.000 2.457 364 Y HA 0.524 5.072 4.550 -0.003 0.000 0.343 364 Y C 0.809 176.725 175.900 0.027 0.000 0.994 364 Y CA 0.573 58.722 58.100 0.083 0.000 1.031 364 Y CB 1.482 39.997 38.460 0.092 0.000 1.246 364 Y HN 1.513 nan 8.280 nan 0.000 0.449 365 G N 2.098 110.449 108.800 -0.748 0.000 2.569 365 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.259 365 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.259 365 G C -1.394 173.383 174.900 -0.204 0.000 1.263 365 G CA -0.444 44.346 45.100 -0.517 0.000 0.928 365 G HN 1.030 nan 8.290 nan 0.000 0.572 366 V N 1.615 121.449 119.914 -0.132 0.000 2.461 366 V HA 0.451 4.569 4.120 -0.004 0.000 0.275 366 V C 0.987 177.016 176.094 -0.109 0.000 1.047 366 V CA 0.991 63.231 62.300 -0.100 0.000 0.955 366 V CB 0.927 32.706 31.823 -0.072 0.000 0.988 366 V HN 1.620 nan 8.190 nan 0.000 0.471 367 N N 3.719 122.363 118.700 -0.094 0.000 2.705 367 N HA -0.127 4.611 4.740 -0.004 0.000 0.255 367 N C -2.099 173.340 175.510 -0.119 0.000 1.008 367 N CA 0.424 53.416 53.050 -0.097 0.000 0.742 367 N CB -0.421 38.008 38.487 -0.098 0.000 0.906 367 N HN 0.546 nan 8.380 nan 0.000 0.541 368 P HA 0.219 nan 4.420 nan 0.000 0.272 368 P C -2.566 174.688 177.300 -0.077 0.000 1.240 368 P CA -0.980 62.071 63.100 -0.083 0.000 0.791 368 P CB 0.059 31.748 31.700 -0.019 0.000 0.978 369 P HA 0.054 nan 4.420 nan 0.000 0.265 369 P C 0.666 177.896 177.300 -0.117 0.000 1.193 369 P CA 0.499 63.608 63.100 0.014 0.000 0.765 369 P CB 0.152 31.921 31.700 0.116 0.000 0.823 370 Q N 1.143 120.802 119.800 -0.235 0.000 2.317 370 Q HA 0.056 4.394 4.340 -0.004 0.000 0.220 370 Q C 0.144 175.597 176.000 -0.912 0.000 0.873 370 Q CA 0.834 56.320 55.803 -0.528 0.000 0.936 370 Q CB 0.433 28.792 28.738 -0.632 0.000 1.105 370 Q HN 0.644 nan 8.270 nan 0.000 0.520 371 H N 0.730 119.589 119.070 -0.351 0.000 2.591 371 H HA 0.273 4.827 4.556 -0.004 0.000 0.241 371 H C -2.243 172.945 175.328 -0.235 0.000 1.292 371 H CA -1.790 53.941 56.048 -0.528 0.000 1.022 371 H CB 0.654 30.258 29.762 -0.263 0.000 1.875 371 H HN 0.093 nan 8.280 nan 0.000 0.570 372 P HA -0.091 nan 4.420 nan 0.000 0.267 372 P C 0.175 177.727 177.300 0.419 0.000 1.200 372 P CA 0.140 63.374 63.100 0.223 0.000 0.772 372 P CB 0.999 32.822 31.700 0.206 0.000 0.855 373 H N 2.851 122.084 119.070 0.272 0.000 3.157 373 H HA 0.133 4.687 4.556 -0.004 0.000 0.260 373 H C -0.416 175.154 175.328 0.403 0.000 1.232 373 H CA 0.640 56.868 56.048 0.300 0.000 1.488 373 H CB -0.848 28.996 29.762 0.137 0.000 1.548 373 H HN 0.338 nan 8.280 nan 0.000 0.487 374 H N 4.762 123.898 119.070 0.110 0.000 3.179 374 H HA 0.155 4.708 4.556 -0.004 0.000 0.331 374 H C 0.415 175.571 175.328 -0.286 0.000 1.013 374 H CA -0.544 55.480 56.048 -0.041 0.000 1.430 374 H CB 0.778 30.622 29.762 0.137 0.000 1.895 374 H HN 0.731 nan 8.280 nan 0.000 0.468 375 R N 1.277 121.243 120.500 -0.889 0.000 2.070 375 R HA -0.090 4.248 4.340 -0.004 0.000 0.233 375 R C 1.444 177.490 176.300 -0.424 0.000 1.137 375 R CA 2.242 57.668 56.100 -1.122 0.000 0.945 375 R CB 0.005 29.521 30.300 -1.307 0.000 0.845 375 R HN 0.423 nan 8.270 nan 0.000 0.430 376 T N 0.553 115.059 114.554 -0.079 0.000 2.904 376 T HA -0.021 4.327 4.350 -0.004 0.000 0.267 376 T C 1.855 176.734 174.700 0.297 0.000 1.059 376 T CA 1.144 63.358 62.100 0.190 0.000 1.137 376 T CB -0.072 69.013 68.868 0.362 0.000 0.879 376 T HN 0.361 nan 8.240 nan 0.000 0.467 377 A N 0.840 123.898 122.820 0.396 0.000 1.968 377 A HA -0.104 4.214 4.320 -0.004 0.000 0.217 377 A C 2.042 179.491 177.584 -0.226 0.000 1.169 377 A CA 1.442 53.483 52.037 0.007 0.000 0.638 377 A CB -0.818 18.134 19.000 -0.078 0.000 0.812 377 A HN 0.719 nan 8.150 nan 0.000 0.446 378 H N -0.558 118.212 119.070 -0.501 0.000 2.299 378 H HA 0.062 4.616 4.556 -0.004 0.000 0.302 378 H C 1.409 176.479 175.328 -0.430 0.000 1.078 378 H CA 1.063 56.648 56.048 -0.772 0.000 1.323 378 H CB -0.233 29.217 29.762 -0.521 0.000 1.381 378 H HN 0.614 nan 8.280 nan 0.000 0.498 379 G N 1.236 109.768 108.800 -0.446 0.000 2.248 379 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.263 379 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.263 379 G C 0.031 174.629 174.900 -0.503 0.000 1.082 379 G CA 0.730 45.582 45.100 -0.413 0.000 0.863 379 G HN 0.619 nan 8.290 nan 0.000 0.495 380 S N -0.820 114.486 115.700 -0.657 0.000 2.562 380 S HA 0.415 4.883 4.470 -0.004 0.000 0.281 380 S C 1.155 175.630 174.600 -0.209 0.000 1.333 380 S CA 0.761 58.627 58.200 -0.557 0.000 1.052 380 S CB 0.177 63.216 63.200 -0.269 0.000 0.884 380 S HN 1.263 nan 8.310 nan 0.000 0.506 381 W N 2.397 123.591 121.300 -0.177 0.000 3.005 381 W HA 0.347 5.004 4.660 -0.004 0.000 0.374 381 W C 0.793 177.288 176.519 -0.041 0.000 1.076 381 W CA 0.091 57.386 57.345 -0.084 0.000 1.794 381 W CB -0.832 28.595 29.460 -0.056 0.000 1.113 381 W HN 0.659 nan 8.180 nan 0.000 0.584 382 T N -3.206 111.247 114.554 -0.170 0.000 3.231 382 T HA 0.125 4.472 4.350 -0.004 0.000 0.292 382 T C 0.261 174.928 174.700 -0.055 0.000 1.001 382 T CA 0.271 62.316 62.100 -0.093 0.000 0.920 382 T CB -0.419 68.317 68.868 -0.220 0.000 1.140 382 T HN 0.030 nan 8.240 nan 0.000 0.525 383 D N 1.605 121.964 120.400 -0.068 0.000 2.689 383 D HA -0.169 4.469 4.640 -0.004 0.000 0.237 383 D C -0.619 175.668 176.300 -0.022 0.000 1.148 383 D CA 0.981 54.942 54.000 -0.065 0.000 0.656 383 D CB -1.315 39.520 40.800 0.057 0.000 1.050 383 D HN 0.781 nan 8.370 nan 0.000 0.426 384 Q N 0.083 119.854 119.800 -0.048 0.000 2.274 384 Q HA 0.314 4.652 4.340 -0.004 0.000 0.268 384 Q C 1.000 176.856 176.000 -0.241 0.000 1.015 384 Q CA -0.580 55.136 55.803 -0.144 0.000 0.775 384 Q CB 1.593 30.232 28.738 -0.166 0.000 1.256 384 Q HN 0.277 nan 8.270 nan 0.000 0.442 385 M N 1.198 120.427 119.600 -0.619 0.000 2.358 385 M HA -0.119 4.358 4.480 -0.004 0.000 0.264 385 M C 1.462 177.452 176.300 -0.517 0.000 1.064 385 M CA 1.808 56.480 55.300 -1.047 0.000 1.093 385 M CB 0.315 32.172 32.600 -1.238 0.000 1.401 385 M HN 0.761 nan 8.290 nan 0.000 0.440 386 T N -3.560 110.799 114.554 -0.325 0.000 3.107 386 T HA 0.140 4.488 4.350 -0.004 0.000 0.249 386 T C 0.563 175.164 174.700 -0.166 0.000 1.096 386 T CA 0.038 61.993 62.100 -0.242 0.000 1.012 386 T CB 0.080 68.825 68.868 -0.205 0.000 0.977 386 T HN 0.206 nan 8.240 nan 0.000 0.527 387 S N 2.630 118.246 115.700 -0.140 0.000 2.619 387 S HA 0.548 5.016 4.470 -0.004 0.000 0.280 387 S C -2.966 171.370 174.600 -0.440 0.000 1.150 387 S CA -1.547 56.499 58.200 -0.257 0.000 0.978 387 S CB 1.822 64.830 63.200 -0.321 0.000 1.041 387 S HN 0.052 nan 8.310 nan 0.000 0.485 388 P HA 0.133 nan 4.420 nan 0.000 0.271 388 P C 0.695 177.876 177.300 -0.198 0.000 1.244 388 P CA -0.087 62.724 63.100 -0.481 0.000 0.793 388 P CB 0.147 31.330 31.700 -0.861 0.000 0.984 389 T N -2.885 111.597 114.554 -0.119 0.000 3.252 389 T HA 0.138 4.486 4.350 -0.004 0.000 0.250 389 T C 0.345 175.168 174.700 0.205 0.000 1.123 389 T CA 0.200 62.317 62.100 0.028 0.000 1.006 389 T CB -1.260 67.654 68.868 0.076 0.000 0.992 389 T HN 0.541 nan 8.240 nan 0.000 0.547 390 Y N -2.043 118.381 120.300 0.206 0.000 2.625 390 Y HA 0.704 5.252 4.550 -0.003 0.000 0.338 390 Y C -0.863 175.252 175.900 0.359 0.000 1.123 390 Y CA -2.147 56.115 58.100 0.270 0.000 1.046 390 Y CB 0.443 38.983 38.460 0.133 0.000 1.299 390 Y HN -0.094 nan 8.280 nan 0.000 0.464 391 H N 1.869 121.044 119.070 0.175 0.000 2.690 391 H HA 0.416 4.970 4.556 -0.004 0.000 0.314 391 H C 0.703 176.021 175.328 -0.017 0.000 1.069 391 H CA -0.442 55.643 56.048 0.062 0.000 1.436 391 H CB 1.341 31.092 29.762 -0.018 0.000 1.462 391 H HN 0.664 nan 8.280 nan 0.000 0.511 392 R N 2.104 122.467 120.500 -0.228 0.000 2.189 392 R HA -0.010 4.328 4.340 -0.004 0.000 0.218 392 R C -0.131 175.781 176.300 -0.648 0.000 1.074 392 R CA 0.788 56.664 56.100 -0.373 0.000 0.991 392 R CB 0.162 30.022 30.300 -0.732 0.000 0.883 392 R HN 0.598 nan 8.270 nan 0.000 0.457 393 H N -1.081 117.742 119.070 -0.411 0.000 2.797 393 H HA 0.257 4.811 4.556 -0.003 0.000 0.372 393 H C -0.557 174.385 175.328 -0.643 0.000 1.168 393 H CA -0.660 54.887 56.048 -0.834 0.000 1.163 393 H CB 1.957 30.525 29.762 -1.991 0.000 1.778 393 H HN -0.241 nan 8.280 nan 0.000 0.551 394 T N 2.489 116.726 114.554 -0.528 0.000 2.753 394 T HA 0.235 4.583 4.350 -0.004 0.000 0.297 394 T C 0.849 175.204 174.700 -0.575 0.000 0.981 394 T CA -0.481 61.310 62.100 -0.516 0.000 0.956 394 T CB 0.025 68.485 68.868 -0.679 0.000 0.936 394 T HN 0.402 nan 8.240 nan 0.000 0.463 395 I N 5.192 125.538 120.570 -0.373 0.000 2.213 395 I HA 0.241 4.409 4.170 -0.004 0.000 0.295 395 I C -0.516 175.636 176.117 0.059 0.000 1.172 395 I CA -0.688 60.477 61.300 -0.225 0.000 1.443 395 I CB -0.372 37.578 38.000 -0.083 0.000 1.491 395 I HN 0.562 nan 8.210 nan 0.000 0.652 396 Y N 4.905 125.355 120.300 0.250 0.000 2.904 396 Y HA 0.131 4.679 4.550 -0.004 0.000 0.336 396 Y C 1.717 177.870 175.900 0.422 0.000 1.263 396 Y CA 1.372 59.717 58.100 0.408 0.000 1.547 396 Y CB 0.256 39.075 38.460 0.598 0.000 1.272 396 Y HN 0.741 nan 8.280 nan 0.000 0.596 397 G N 0.942 109.997 108.800 0.425 0.000 2.253 397 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.251 397 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.251 397 G C 0.380 175.314 174.900 0.056 0.000 0.998 397 G CA -0.183 45.077 45.100 0.267 0.000 0.621 397 G HN 1.163 nan 8.290 nan 0.000 0.524 398 A N 0.419 123.181 122.820 -0.097 0.000 2.522 398 A HA 0.562 4.880 4.320 -0.004 0.000 0.256 398 A C 0.315 177.753 177.584 -0.244 0.000 1.086 398 A CA 0.575 52.285 52.037 -0.544 0.000 0.763 398 A CB 0.455 19.221 19.000 -0.389 0.000 1.024 398 A HN 1.526 nan 8.150 nan 0.000 0.502 399 L N 5.527 126.577 121.223 -0.289 0.000 2.260 399 L HA 0.473 4.811 4.340 -0.004 0.000 0.289 399 L C 0.372 177.211 176.870 -0.052 0.000 1.057 399 L CA -0.122 54.580 54.840 -0.229 0.000 0.811 399 L CB 0.884 42.636 42.059 -0.512 0.000 1.184 399 L HN 0.700 nan 8.230 nan 0.000 0.429 400 V N 3.297 123.226 119.914 0.024 0.000 3.185 400 V HA 0.468 4.586 4.120 -0.004 0.000 0.305 400 V C 1.493 177.641 176.094 0.091 0.000 1.090 400 V CA 0.325 62.722 62.300 0.162 0.000 1.107 400 V CB 0.169 32.137 31.823 0.242 0.000 1.061 400 V HN 0.861 nan 8.190 nan 0.000 0.480 401 G N 1.005 109.941 108.800 0.227 0.000 2.529 401 G HA2 0.310 4.267 3.960 -0.004 0.000 0.219 401 G HA3 0.310 4.267 3.960 -0.004 0.000 0.219 401 G C 0.976 175.778 174.900 -0.164 0.000 1.177 401 G CA 1.167 46.280 45.100 0.021 0.000 0.773 401 G HN 2.238 nan 8.290 nan 0.000 0.573 402 G N -1.527 107.229 108.800 -0.073 0.000 2.381 402 G HA2 0.262 4.220 3.960 -0.004 0.000 0.672 402 G HA3 0.262 4.220 3.960 -0.004 0.000 0.672 402 G C -3.201 171.691 174.900 -0.013 0.000 1.324 402 G CA -0.253 44.697 45.100 -0.249 0.000 0.975 402 G HN 0.397 nan 8.290 nan 0.000 0.593 403 P HA 0.378 nan 4.420 nan 0.000 0.277 403 P C -0.449 177.007 177.300 0.261 0.000 1.271 403 P CA -0.013 63.190 63.100 0.172 0.000 0.795 403 P CB 0.744 32.536 31.700 0.153 0.000 1.101 404 D N -0.360 120.124 120.400 0.141 0.000 2.447 404 D HA -0.001 4.637 4.640 -0.004 0.000 0.265 404 D C 1.040 177.029 176.300 -0.518 0.000 1.250 404 D CA -0.401 53.623 54.000 0.041 0.000 1.046 404 D CB -0.639 40.121 40.800 -0.068 0.000 1.095 404 D HN 0.300 nan 8.370 nan 0.000 0.555 405 N N -1.054 116.871 118.700 -1.292 0.000 2.609 405 N HA -0.084 4.654 4.740 -0.004 0.000 0.190 405 N C 0.573 175.672 175.510 -0.686 0.000 1.157 405 N CA 0.798 52.867 53.050 -1.635 0.000 0.918 405 N CB -0.342 37.086 38.487 -1.764 0.000 0.978 405 N HN 0.461 nan 8.380 nan 0.000 0.448 406 A N -0.329 122.248 122.820 -0.404 0.000 2.594 406 A HA 0.270 4.588 4.320 -0.004 0.000 0.287 406 A C 0.001 177.537 177.584 -0.081 0.000 1.227 406 A CA -0.217 51.701 52.037 -0.198 0.000 0.952 406 A CB 0.136 19.047 19.000 -0.148 0.000 1.161 406 A HN 0.141 nan 8.150 nan 0.000 0.524 407 D N -1.222 119.142 120.400 -0.062 0.000 3.028 407 D HA -0.148 4.489 4.640 -0.004 0.000 0.207 407 D C 0.741 177.129 176.300 0.146 0.000 1.100 407 D CA 1.363 55.426 54.000 0.105 0.000 0.995 407 D CB -1.530 39.369 40.800 0.165 0.000 1.108 407 D HN 0.702 nan 8.370 nan 0.000 0.421 408 G N 0.273 109.118 108.800 0.076 0.000 2.398 408 G HA2 0.348 4.306 3.960 -0.004 0.000 0.246 408 G HA3 0.348 4.306 3.960 -0.004 0.000 0.246 408 G C -0.772 174.257 174.900 0.215 0.000 1.289 408 G CA -0.021 45.142 45.100 0.105 0.000 0.869 408 G HN 0.227 nan 8.290 nan 0.000 0.543 409 Y N 0.604 120.955 120.300 0.085 0.000 2.442 409 Y HA 0.526 5.074 4.550 -0.004 0.000 0.330 409 Y C -0.688 175.258 175.900 0.077 0.000 1.100 409 Y CA -0.901 57.271 58.100 0.121 0.000 1.034 409 Y CB 1.752 40.382 38.460 0.283 0.000 1.285 409 Y HN 0.545 nan 8.280 nan 0.000 0.440 410 T N 5.287 119.433 114.554 -0.680 0.000 2.864 410 T HA 0.147 4.494 4.350 -0.004 0.000 0.299 410 T C -1.318 172.907 174.700 -0.792 0.000 1.011 410 T CA -0.562 61.194 62.100 -0.574 0.000 0.975 410 T CB 0.680 69.380 68.868 -0.281 0.000 0.962 410 T HN 0.576 nan 8.240 nan 0.000 0.448 411 D N 3.768 123.768 120.400 -0.666 0.000 2.508 411 D HA 0.136 4.774 4.640 -0.004 0.000 0.224 411 D C -0.046 176.184 176.300 -0.118 0.000 1.171 411 D CA -0.022 53.789 54.000 -0.314 0.000 1.006 411 D CB 0.213 40.998 40.800 -0.026 0.000 1.073 411 D HN 0.485 nan 8.370 nan 0.000 0.513 412 E N 2.072 122.175 120.200 -0.161 0.000 2.317 412 E HA 0.222 4.570 4.350 -0.004 0.000 0.270 412 E C 0.851 177.370 176.600 -0.135 0.000 0.885 412 E CA -0.829 55.456 56.400 -0.192 0.000 0.760 412 E CB 2.280 31.846 29.700 -0.224 0.000 1.227 412 E HN 0.223 nan 8.360 nan 0.000 0.434 413 I N 2.240 122.714 120.570 -0.159 0.000 2.454 413 I HA -0.221 3.947 4.170 -0.004 0.000 0.254 413 I C 1.266 177.310 176.117 -0.122 0.000 1.156 413 I CA 1.257 62.509 61.300 -0.080 0.000 1.433 413 I CB 0.161 38.057 38.000 -0.172 0.000 1.082 413 I HN 0.465 nan 8.210 nan 0.000 0.432 414 N N 0.107 118.652 118.700 -0.258 0.000 2.268 414 N HA -0.057 4.680 4.740 -0.004 0.000 0.204 414 N C 0.039 175.218 175.510 -0.551 0.000 1.124 414 N CA 0.005 52.816 53.050 -0.399 0.000 0.838 414 N CB -0.504 37.836 38.487 -0.246 0.000 0.994 414 N HN 0.222 nan 8.380 nan 0.000 0.489 415 N N 1.064 119.522 118.700 -0.403 0.000 2.678 415 N HA 0.071 4.809 4.740 -0.004 0.000 0.231 415 N C -0.023 175.338 175.510 -0.249 0.000 1.038 415 N CA -0.402 52.493 53.050 -0.260 0.000 0.932 415 N CB 0.257 38.644 38.487 -0.168 0.000 1.176 415 N HN 0.042 nan 8.380 nan 0.000 0.511 416 Y N 1.716 122.019 120.300 0.005 0.000 2.133 416 Y HA -0.170 4.378 4.550 -0.003 0.000 0.287 416 Y C 2.341 178.346 175.900 0.176 0.000 1.134 416 Y CA 0.722 58.884 58.100 0.104 0.000 1.133 416 Y CB -0.573 38.005 38.460 0.197 0.000 0.987 416 Y HN 0.193 nan 8.280 nan 0.000 0.502 417 V N 1.034 121.014 119.914 0.110 0.000 2.250 417 V HA -0.365 3.753 4.120 -0.004 0.000 0.250 417 V C 1.973 178.055 176.094 -0.019 0.000 1.060 417 V CA 2.444 64.581 62.300 -0.272 0.000 1.030 417 V CB -0.588 30.866 31.823 -0.615 0.000 0.643 417 V HN 0.507 nan 8.190 nan 0.000 0.445 418 N N -0.228 118.493 118.700 0.035 0.000 2.250 418 N HA -0.052 4.686 4.740 -0.004 0.000 0.181 418 N C 1.296 176.992 175.510 0.310 0.000 1.017 418 N CA 0.995 54.157 53.050 0.186 0.000 0.866 418 N CB -0.274 38.291 38.487 0.131 0.000 0.985 418 N HN 0.392 nan 8.380 nan 0.000 0.429 419 N N 0.859 119.687 118.700 0.213 0.000 2.282 419 N HA 0.040 4.778 4.740 -0.004 0.000 0.240 419 N C -0.905 174.777 175.510 0.287 0.000 1.182 419 N CA -0.055 53.151 53.050 0.260 0.000 0.874 419 N CB 0.659 39.234 38.487 0.147 0.000 1.126 419 N HN 0.400 nan 8.380 nan 0.000 0.516 420 E N 0.576 120.985 120.200 0.349 0.000 2.349 420 E HA 0.328 4.676 4.350 -0.004 0.000 0.262 420 E C 0.055 176.875 176.600 0.366 0.000 1.088 420 E CA -0.501 56.127 56.400 0.380 0.000 0.899 420 E CB 1.381 31.324 29.700 0.405 0.000 1.044 420 E HN 0.203 nan 8.360 nan 0.000 0.420 421 I N -2.558 118.160 120.570 0.246 0.000 2.647 421 I HA 0.843 5.010 4.170 -0.004 0.000 0.295 421 I C -1.005 175.127 176.117 0.025 0.000 1.078 421 I CA -1.159 60.224 61.300 0.137 0.000 1.048 421 I CB 2.202 40.297 38.000 0.159 0.000 1.239 421 I HN 0.684 nan 8.210 nan 0.000 0.421 422 A N 3.640 126.375 122.820 -0.141 0.000 2.612 422 A HA 0.512 4.830 4.320 -0.004 0.000 0.293 422 A C 0.320 178.089 177.584 0.308 0.000 1.075 422 A CA -0.571 51.475 52.037 0.015 0.000 0.680 422 A CB 1.039 19.811 19.000 -0.380 0.000 1.279 422 A HN 0.949 nan 8.150 nan 0.000 0.411 423 C N 0.616 120.160 119.300 0.407 0.000 2.393 423 C HA -0.153 4.305 4.460 -0.004 0.000 0.276 423 C C 2.497 177.845 174.990 0.596 0.000 1.215 423 C CA 1.802 61.151 59.018 0.551 0.000 1.743 423 C CB -0.949 27.072 27.740 0.467 0.000 2.044 423 C HN 0.952 nan 8.230 nan 0.000 0.464 424 D N -0.677 120.038 120.400 0.525 0.000 2.264 424 D HA -0.187 4.451 4.640 -0.004 0.000 0.208 424 D C 1.605 178.300 176.300 0.659 0.000 0.966 424 D CA 1.332 55.733 54.000 0.668 0.000 0.864 424 D CB -0.562 40.618 40.800 0.633 0.000 0.933 424 D HN 0.457 nan 8.370 nan 0.000 0.499 425 Y N 1.221 121.708 120.300 0.311 0.000 2.242 425 Y HA -0.049 4.499 4.550 -0.004 0.000 0.291 425 Y C 1.824 177.806 175.900 0.138 0.000 1.137 425 Y CA 0.828 59.020 58.100 0.154 0.000 1.181 425 Y CB -0.832 37.664 38.460 0.059 0.000 0.989 425 Y HN 0.037 nan 8.280 nan 0.000 0.527 426 N N -0.773 118.163 118.700 0.393 0.000 2.353 426 N HA 0.127 4.865 4.740 -0.004 0.000 0.185 426 N C 1.738 177.554 175.510 0.509 0.000 1.098 426 N CA 0.583 53.876 53.050 0.404 0.000 0.872 426 N CB -0.002 38.609 38.487 0.207 0.000 0.970 426 N HN 0.218 nan 8.380 nan 0.000 0.467 427 A N 0.400 123.516 122.820 0.493 0.000 1.828 427 A HA -0.008 4.310 4.320 -0.004 0.000 0.215 427 A C 2.288 179.951 177.584 0.132 0.000 1.203 427 A CA 1.869 54.097 52.037 0.318 0.000 0.614 427 A CB -1.336 17.825 19.000 0.268 0.000 0.844 427 A HN 0.319 nan 8.150 nan 0.000 0.445 428 G N -1.669 107.230 108.800 0.166 0.000 2.422 428 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.218 428 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.218 428 G C 1.537 176.460 174.900 0.038 0.000 1.146 428 G CA 0.975 46.097 45.100 0.037 0.000 0.769 428 G HN 0.516 nan 8.290 nan 0.000 0.547 429 F N 1.879 121.826 119.950 -0.005 0.000 2.091 429 F HA -0.215 4.310 4.527 -0.004 0.000 0.299 429 F C 2.887 178.667 175.800 -0.034 0.000 1.103 429 F CA 1.927 59.918 58.000 -0.014 0.000 1.228 429 F CB -0.176 38.830 39.000 0.009 0.000 0.984 429 F HN 0.148 nan 8.300 nan 0.000 0.477 430 T N -0.113 114.421 114.554 -0.033 0.000 2.684 430 T HA -0.191 4.157 4.350 -0.004 0.000 0.267 430 T C 1.985 176.573 174.700 -0.185 0.000 1.036 430 T CA 1.439 63.453 62.100 -0.143 0.000 1.148 430 T CB -1.173 67.736 68.868 0.069 0.000 0.863 430 T HN 0.524 nan 8.240 nan 0.000 0.436 431 G N 0.876 109.457 108.800 -0.366 0.000 2.422 431 G HA2 -0.006 3.952 3.960 -0.004 0.000 0.218 431 G HA3 -0.006 3.952 3.960 -0.004 0.000 0.218 431 G C 1.808 176.628 174.900 -0.133 0.000 1.146 431 G CA 0.848 45.605 45.100 -0.573 0.000 0.769 431 G HN 0.591 nan 8.290 nan 0.000 0.547 432 A N 0.469 123.259 122.820 -0.050 0.000 1.930 432 A HA 0.164 4.482 4.320 -0.004 0.000 0.217 432 A C 2.400 179.959 177.584 -0.041 0.000 1.175 432 A CA 1.025 53.118 52.037 0.095 0.000 0.627 432 A CB -0.326 18.746 19.000 0.121 0.000 0.815 432 A HN 0.350 nan 8.150 nan 0.000 0.443 433 L N -0.822 120.300 121.223 -0.168 0.000 2.093 433 L HA -0.172 4.166 4.340 -0.004 0.000 0.208 433 L C 3.077 179.883 176.870 -0.107 0.000 1.085 433 L CA 0.934 55.660 54.840 -0.191 0.000 0.755 433 L CB -0.506 41.320 42.059 -0.388 0.000 0.904 433 L HN 0.437 nan 8.230 nan 0.000 0.435 434 A N 0.058 122.798 122.820 -0.133 0.000 1.933 434 A HA -0.211 4.107 4.320 -0.004 0.000 0.218 434 A C 2.337 179.904 177.584 -0.030 0.000 1.175 434 A CA 1.579 53.512 52.037 -0.175 0.000 0.628 434 A CB -0.303 18.509 19.000 -0.313 0.000 0.814 434 A HN 0.305 nan 8.150 nan 0.000 0.444 435 K N -1.202 119.198 120.400 0.000 0.000 2.097 435 K HA -0.050 4.268 4.320 -0.004 0.000 0.205 435 K C 1.977 178.548 176.600 -0.048 0.000 1.050 435 K CA 1.278 57.573 56.287 0.014 0.000 0.938 435 K CB -0.241 32.288 32.500 0.047 0.000 0.718 435 K HN 0.353 nan 8.250 nan 0.000 0.442 436 M N -0.228 119.282 119.600 -0.150 0.000 2.175 436 M HA -0.138 4.340 4.480 -0.004 0.000 0.264 436 M C 2.115 178.275 176.300 -0.233 0.000 1.063 436 M CA 1.369 56.434 55.300 -0.392 0.000 1.119 436 M CB -0.872 31.182 32.600 -0.910 0.000 1.377 436 M HN 0.125 nan 8.290 nan 0.000 0.415 437 Y N 1.615 121.842 120.300 -0.120 0.000 2.181 437 Y HA -0.248 4.300 4.550 -0.004 0.000 0.288 437 Y C 2.487 178.394 175.900 0.012 0.000 1.146 437 Y CA 2.170 60.288 58.100 0.029 0.000 1.164 437 Y CB -0.388 38.063 38.460 -0.016 0.000 0.982 437 Y HN 0.230 nan 8.280 nan 0.000 0.515 438 K N -0.994 119.351 120.400 -0.092 0.000 2.103 438 K HA -0.293 4.024 4.320 -0.004 0.000 0.207 438 K C 2.332 178.853 176.600 -0.131 0.000 1.048 438 K CA 1.896 58.098 56.287 -0.142 0.000 0.930 438 K CB -0.652 31.849 32.500 0.002 0.000 0.716 438 K HN 0.581 nan 8.250 nan 0.000 0.444 439 H N -0.715 118.261 119.070 -0.156 0.000 2.384 439 H HA 0.119 4.673 4.556 -0.004 0.000 0.300 439 H C 0.850 176.120 175.328 -0.097 0.000 1.057 439 H CA 1.464 57.444 56.048 -0.113 0.000 1.370 439 H CB 0.518 30.225 29.762 -0.090 0.000 1.417 439 H HN 0.165 nan 8.280 nan 0.000 0.527 440 S N -0.480 115.200 115.700 -0.032 0.000 2.603 440 S HA 0.328 4.796 4.470 -0.004 0.000 0.232 440 S C 0.743 175.387 174.600 0.072 0.000 1.016 440 S CA 0.273 58.496 58.200 0.037 0.000 0.976 440 S CB 1.411 64.819 63.200 0.347 0.000 0.921 440 S HN 0.914 nan 8.310 nan 0.000 0.516 441 G N 1.269 110.024 108.800 -0.075 0.000 2.562 441 G HA2 0.248 4.206 3.960 -0.004 0.000 0.250 441 G HA3 0.248 4.206 3.960 -0.004 0.000 0.250 441 G C 0.188 175.237 174.900 0.248 0.000 1.269 441 G CA -0.325 44.705 45.100 -0.117 0.000 0.919 441 G HN 1.575 nan 8.290 nan 0.000 0.574 442 G N -1.183 107.744 108.800 0.213 0.000 3.448 442 G HA2 0.428 4.386 3.960 -0.004 0.000 0.685 442 G HA3 0.428 4.386 3.960 -0.004 0.000 0.685 442 G C -0.759 174.301 174.900 0.267 0.000 1.151 442 G CA 0.525 45.747 45.100 0.203 0.000 1.023 442 G HN 1.131 nan 8.290 nan 0.000 0.499 443 D N 3.441 123.939 120.400 0.163 0.000 2.350 443 D HA 0.441 5.079 4.640 -0.004 0.000 0.249 443 D C -1.787 174.541 176.300 0.047 0.000 1.119 443 D CA -0.669 53.411 54.000 0.133 0.000 0.886 443 D CB 1.293 42.146 40.800 0.089 0.000 1.195 443 D HN 0.219 nan 8.370 nan 0.000 0.437 444 P HA 0.145 nan 4.420 nan 0.000 0.272 444 P C 0.061 177.330 177.300 -0.051 0.000 1.230 444 P CA -0.331 62.729 63.100 -0.066 0.000 0.788 444 P CB 0.684 32.326 31.700 -0.097 0.000 0.949 445 I N 3.636 124.138 120.570 -0.112 0.000 2.517 445 I HA 0.095 4.263 4.170 -0.004 0.000 0.285 445 I C -1.628 174.506 176.117 0.029 0.000 1.106 445 I CA -1.730 59.531 61.300 -0.065 0.000 1.402 445 I CB 0.220 38.110 38.000 -0.183 0.000 1.399 445 I HN 0.199 nan 8.210 nan 0.000 0.535 446 P HA 0.000 nan 4.420 nan 0.000 0.271 446 P C -0.542 176.820 177.300 0.103 0.000 1.216 446 P CA -0.003 63.140 63.100 0.073 0.000 0.776 446 P CB 0.447 32.182 31.700 0.060 0.000 0.881 447 N N -0.334 118.428 118.700 0.103 0.000 2.721 447 N HA -0.229 4.509 4.740 -0.004 0.000 0.249 447 N C -0.291 175.276 175.510 0.095 0.000 1.072 447 N CA 0.649 53.757 53.050 0.096 0.000 0.710 447 N CB -1.894 36.638 38.487 0.074 0.000 0.993 447 N HN 0.459 nan 8.380 nan 0.000 0.547 448 F N 1.607 121.517 119.950 -0.067 0.000 2.578 448 F HA 0.159 4.684 4.527 -0.004 0.000 0.381 448 F C 0.896 176.639 175.800 -0.095 0.000 1.069 448 F CA 0.351 58.291 58.000 -0.101 0.000 1.231 448 F CB 0.443 39.348 39.000 -0.158 0.000 1.086 448 F HN -0.056 nan 8.300 nan 0.000 0.564 449 K N 3.866 123.796 120.400 -0.783 0.000 2.482 449 K HA 0.723 5.041 4.320 -0.004 0.000 0.257 449 K C -1.135 175.049 176.600 -0.693 0.000 0.969 449 K CA -1.057 54.892 56.287 -0.563 0.000 0.842 449 K CB 2.080 34.450 32.500 -0.216 0.000 1.359 449 K HN 0.475 nan 8.250 nan 0.000 0.441 450 A N 2.155 124.836 122.820 -0.232 0.000 3.213 450 A HA 0.313 4.631 4.320 -0.004 0.000 0.308 450 A C -0.644 177.113 177.584 0.288 0.000 1.177 450 A CA -0.341 51.780 52.037 0.140 0.000 1.010 450 A CB -0.583 18.792 19.000 0.626 0.000 1.092 450 A HN 0.410 nan 8.150 nan 0.000 0.583 451 I N 1.734 122.391 120.570 0.144 0.000 2.281 451 I HA 0.168 4.336 4.170 -0.004 0.000 0.293 451 I C 0.333 176.573 176.117 0.204 0.000 1.085 451 I CA -0.008 61.404 61.300 0.186 0.000 1.257 451 I CB 0.454 38.507 38.000 0.089 0.000 1.430 451 I HN 0.447 nan 8.210 nan 0.000 0.489 452 E N 5.416 125.806 120.200 0.317 0.000 2.283 452 E HA 0.350 4.698 4.350 -0.004 0.000 0.271 452 E C -0.293 176.314 176.600 0.012 0.000 1.031 452 E CA -0.974 55.569 56.400 0.239 0.000 0.868 452 E CB 1.241 31.204 29.700 0.438 0.000 1.094 452 E HN 0.344 nan 8.360 nan 0.000 0.401 453 K N 1.335 121.697 120.400 -0.064 0.000 2.326 453 K HA 0.214 4.532 4.320 -0.004 0.000 0.275 453 K C -0.094 176.173 176.600 -0.556 0.000 1.018 453 K CA -0.179 55.980 56.287 -0.214 0.000 0.962 453 K CB 0.568 32.993 32.500 -0.126 0.000 0.953 453 K HN 0.351 nan 8.250 nan 0.000 0.475 454 I N 2.977 123.105 120.570 -0.737 0.000 2.436 454 I HA -0.075 4.093 4.170 -0.004 0.000 0.289 454 I C 1.505 177.185 176.117 -0.728 0.000 1.083 454 I CA 0.197 60.725 61.300 -1.286 0.000 1.372 454 I CB 0.724 38.252 38.000 -0.787 0.000 1.408 454 I HN 0.783 nan 8.210 nan 0.000 0.516 455 T N 1.777 115.933 114.554 -0.664 0.000 3.107 455 T HA 0.103 4.451 4.350 -0.004 0.000 0.249 455 T C 0.392 175.118 174.700 0.042 0.000 1.096 455 T CA -0.320 61.704 62.100 -0.127 0.000 1.012 455 T CB -0.351 68.563 68.868 0.077 0.000 0.977 455 T HN 0.712 nan 8.240 nan 0.000 0.527 456 N N 0.180 118.918 118.700 0.064 0.000 2.308 456 N HA 0.136 4.873 4.740 -0.004 0.000 0.283 456 N C -2.142 173.396 175.510 0.046 0.000 1.105 456 N CA -0.662 52.458 53.050 0.117 0.000 0.840 456 N CB 1.534 40.154 38.487 0.222 0.000 1.633 456 N HN -0.095 nan 8.380 nan 0.000 0.476 457 D N 1.468 121.874 120.400 0.011 0.000 2.472 457 D HA -0.014 4.624 4.640 -0.004 0.000 0.248 457 D C 0.925 177.169 176.300 -0.093 0.000 1.174 457 D CA 0.528 54.523 54.000 -0.007 0.000 0.883 457 D CB 1.415 42.225 40.800 0.017 0.000 1.149 457 D HN 0.537 nan 8.370 nan 0.000 0.488 458 E N 0.543 120.731 120.200 -0.021 0.000 2.204 458 E HA -0.044 4.303 4.350 -0.004 0.000 0.194 458 E C 0.156 176.674 176.600 -0.136 0.000 0.989 458 E CA 0.685 57.066 56.400 -0.032 0.000 0.824 458 E CB 0.502 30.262 29.700 0.099 0.000 0.756 458 E HN 0.186 nan 8.360 nan 0.000 0.477 459 V N 2.206 122.031 119.914 -0.148 0.000 2.569 459 V HA 0.354 4.471 4.120 -0.004 0.000 0.301 459 V C -0.235 175.624 176.094 -0.390 0.000 1.044 459 V CA -0.749 61.448 62.300 -0.173 0.000 0.874 459 V CB 1.631 33.431 31.823 -0.039 0.000 1.002 459 V HN 0.110 nan 8.190 nan 0.000 0.424 460 I N 2.239 122.529 120.570 -0.467 0.000 3.239 460 I HA 0.793 4.960 4.170 -0.004 0.000 0.314 460 I C -1.209 174.710 176.117 -0.330 0.000 1.126 460 I CA -1.158 59.603 61.300 -0.898 0.000 0.973 460 I CB 2.613 40.080 38.000 -0.888 0.000 1.252 460 I HN 0.587 nan 8.210 nan 0.000 0.463 461 I N 1.505 121.948 120.570 -0.213 0.000 2.619 461 I HA 0.487 4.654 4.170 -0.004 0.000 0.292 461 I C -1.329 174.836 176.117 0.080 0.000 1.100 461 I CA -0.480 60.817 61.300 -0.005 0.000 1.043 461 I CB 1.967 39.953 38.000 -0.024 0.000 1.239 461 I HN 0.678 nan 8.210 nan 0.000 0.420 462 K N 5.890 126.351 120.400 0.102 0.000 2.259 462 K HA 0.893 5.211 4.320 -0.004 0.000 0.249 462 K C -1.199 175.437 176.600 0.060 0.000 0.942 462 K CA -0.772 55.583 56.287 0.114 0.000 0.816 462 K CB 2.288 34.901 32.500 0.188 0.000 1.155 462 K HN 0.639 nan 8.250 nan 0.000 0.428 463 A N 0.786 123.638 122.820 0.053 0.000 2.593 463 A HA 0.926 5.244 4.320 -0.004 0.000 0.290 463 A C -1.060 176.537 177.584 0.023 0.000 1.126 463 A CA -0.575 51.483 52.037 0.035 0.000 0.695 463 A CB 2.149 21.184 19.000 0.058 0.000 1.290 463 A HN 0.749 nan 8.150 nan 0.000 0.414 464 G N -1.104 107.698 108.800 0.004 0.000 2.601 464 G HA2 0.593 4.550 3.960 -0.004 0.000 0.291 464 G HA3 0.593 4.550 3.960 -0.004 0.000 0.291 464 G C -1.944 172.938 174.900 -0.031 0.000 1.456 464 G CA -0.644 44.447 45.100 -0.015 0.000 0.804 464 G HN 1.324 nan 8.290 nan 0.000 0.499 465 L N 1.631 122.832 121.223 -0.036 0.000 2.385 465 L HA 0.339 4.677 4.340 -0.004 0.000 0.281 465 L C 1.292 178.158 176.870 -0.007 0.000 1.106 465 L CA -0.125 54.706 54.840 -0.016 0.000 0.856 465 L CB 0.065 42.119 42.059 -0.009 0.000 1.186 465 L HN 0.743 nan 8.230 nan 0.000 0.453 466 N N 1.795 120.484 118.700 -0.018 0.000 2.132 466 N HA -0.045 4.693 4.740 -0.004 0.000 0.187 466 N C -0.021 175.506 175.510 0.028 0.000 1.038 466 N CA 0.523 53.569 53.050 -0.007 0.000 0.846 466 N CB 0.357 38.824 38.487 -0.034 0.000 1.012 466 N HN 0.584 nan 8.380 nan 0.000 0.429 467 S N -1.060 114.679 115.700 0.065 0.000 2.569 467 S HA 0.491 4.959 4.470 -0.004 0.000 0.280 467 S C -1.048 173.661 174.600 0.182 0.000 1.111 467 S CA -0.554 57.732 58.200 0.144 0.000 0.887 467 S CB 2.030 65.348 63.200 0.197 0.000 1.095 467 S HN 0.234 nan 8.310 nan 0.000 0.476 468 T N 1.296 115.855 114.554 0.009 0.000 2.843 468 T HA 0.836 5.184 4.350 -0.004 0.000 0.302 468 T C -0.490 173.703 174.700 -0.845 0.000 1.232 468 T CA 0.222 62.090 62.100 -0.386 0.000 1.009 468 T CB 1.336 70.140 68.868 -0.106 0.000 1.254 468 T HN 1.278 nan 8.240 nan 0.000 0.504 469 G N 1.275 109.440 108.800 -1.058 0.000 2.559 469 G HA2 0.554 4.512 3.960 -0.004 0.000 0.291 469 G HA3 0.554 4.512 3.960 -0.004 0.000 0.291 469 G C -2.392 172.278 174.900 -0.383 0.000 1.424 469 G CA -0.708 43.958 45.100 -0.723 0.000 0.786 469 G HN 0.471 nan 8.290 nan 0.000 0.485 470 P HA -0.043 nan 4.420 nan 0.000 0.225 470 P C 0.542 177.802 177.300 -0.065 0.000 1.148 470 P CA 1.170 64.223 63.100 -0.079 0.000 0.779 470 P CB 0.192 31.853 31.700 -0.064 0.000 0.780 471 N N -1.565 117.040 118.700 -0.159 0.000 2.241 471 N HA 0.033 4.771 4.740 -0.004 0.000 0.238 471 N C -0.175 175.007 175.510 -0.546 0.000 1.244 471 N CA -0.701 52.211 53.050 -0.231 0.000 0.880 471 N CB -0.176 38.215 38.487 -0.160 0.000 1.179 471 N HN 0.242 nan 8.380 nan 0.000 0.513 472 Y N -2.185 117.685 120.300 -0.716 0.000 2.713 472 Y HA 0.694 5.242 4.550 -0.003 0.000 0.335 472 Y C -1.693 174.018 175.900 -0.314 0.000 1.222 472 Y CA -0.955 56.625 58.100 -0.868 0.000 1.061 472 Y CB 0.702 38.865 38.460 -0.494 0.000 1.314 472 Y HN -0.146 nan 8.280 nan 0.000 0.453 473 T N 2.201 116.824 114.554 0.116 0.000 2.921 473 T HA 0.405 4.753 4.350 -0.004 0.000 0.297 473 T C -1.690 173.127 174.700 0.194 0.000 1.013 473 T CA -0.668 61.593 62.100 0.269 0.000 0.990 473 T CB 1.662 70.803 68.868 0.456 0.000 1.023 473 T HN 0.712 nan 8.240 nan 0.000 0.447 474 E N 3.490 123.776 120.200 0.143 0.000 2.191 474 E HA 0.484 4.832 4.350 -0.004 0.000 0.263 474 E C -0.840 175.636 176.600 -0.206 0.000 0.881 474 E CA -0.742 55.621 56.400 -0.062 0.000 0.757 474 E CB 0.705 30.424 29.700 0.031 0.000 1.147 474 E HN 0.353 nan 8.360 nan 0.000 0.414 475 I N 3.868 124.094 120.570 -0.573 0.000 2.437 475 I HA 0.286 4.454 4.170 -0.004 0.000 0.298 475 I C -0.011 175.862 176.117 -0.406 0.000 0.984 475 I CA -0.633 60.318 61.300 -0.582 0.000 1.214 475 I CB 1.414 38.776 38.000 -1.063 0.000 1.365 475 I HN 0.547 nan 8.210 nan 0.000 0.469 476 K N 5.028 125.330 120.400 -0.163 0.000 2.293 476 K HA 0.724 5.042 4.320 -0.004 0.000 0.267 476 K C -1.103 175.504 176.600 0.011 0.000 1.010 476 K CA -0.374 55.889 56.287 -0.041 0.000 0.875 476 K CB 1.271 33.762 32.500 -0.014 0.000 1.106 476 K HN 0.796 nan 8.250 nan 0.000 0.450 477 A N 3.458 126.330 122.820 0.087 0.000 2.365 477 A HA 0.644 4.962 4.320 -0.004 0.000 0.318 477 A C -1.294 176.287 177.584 -0.005 0.000 1.091 477 A CA -0.726 51.326 52.037 0.025 0.000 0.763 477 A CB 1.707 20.689 19.000 -0.029 0.000 1.248 477 A HN 0.437 nan 8.150 nan 0.000 0.442 478 V N 2.708 122.582 119.914 -0.065 0.000 2.482 478 V HA 0.369 4.487 4.120 -0.004 0.000 0.295 478 V C -0.301 175.650 176.094 -0.238 0.000 1.026 478 V CA -0.605 61.602 62.300 -0.155 0.000 0.856 478 V CB 1.438 33.165 31.823 -0.161 0.000 1.001 478 V HN 0.682 nan 8.190 nan 0.000 0.424 479 V N 5.370 125.134 119.914 -0.251 0.000 2.509 479 V HA 0.462 4.580 4.120 -0.004 0.000 0.284 479 V C -0.862 175.018 176.094 -0.356 0.000 1.047 479 V CA -0.360 61.837 62.300 -0.172 0.000 0.952 479 V CB 1.340 33.162 31.823 -0.000 0.000 0.988 479 V HN 0.750 nan 8.190 nan 0.000 0.469 480 Y N 2.828 123.069 120.300 -0.099 0.000 2.376 480 Y HA 0.399 4.947 4.550 -0.003 0.000 0.340 480 Y C 0.361 176.143 175.900 -0.196 0.000 0.965 480 Y CA -0.794 57.231 58.100 -0.125 0.000 1.078 480 Y CB 1.542 39.915 38.460 -0.144 0.000 1.193 480 Y HN 0.561 nan 8.280 nan 0.000 0.452 481 N N 3.284 121.966 118.700 -0.030 0.000 2.439 481 N HA 0.132 4.870 4.740 -0.004 0.000 0.249 481 N C -0.812 174.519 175.510 -0.297 0.000 1.003 481 N CA -0.116 52.874 53.050 -0.100 0.000 0.942 481 N CB 0.827 39.304 38.487 -0.016 0.000 1.115 481 N HN 0.833 nan 8.380 nan 0.000 0.505 482 Q N 1.482 120.986 119.800 -0.492 0.000 2.182 482 Q HA 0.110 4.448 4.340 -0.004 0.000 0.305 482 Q C -0.067 175.676 176.000 -0.428 0.000 0.880 482 Q CA -0.449 54.750 55.803 -1.008 0.000 1.131 482 Q CB 0.450 28.273 28.738 -1.525 0.000 1.237 482 Q HN 0.660 nan 8.270 nan 0.000 0.447 483 T N -2.708 111.757 114.554 -0.147 0.000 2.926 483 T HA 0.368 4.716 4.350 -0.004 0.000 0.307 483 T C 1.058 175.769 174.700 0.018 0.000 1.059 483 T CA 0.386 62.499 62.100 0.022 0.000 1.122 483 T CB 1.488 70.400 68.868 0.072 0.000 0.972 483 T HN 0.332 nan 8.240 nan 0.000 0.545 484 G N 0.439 109.263 108.800 0.040 0.000 3.584 484 G HA2 0.182 4.140 3.960 -0.004 0.000 0.201 484 G HA3 0.182 4.140 3.960 -0.004 0.000 0.201 484 G C -0.031 174.655 174.900 -0.356 0.000 1.176 484 G CA -0.545 44.367 45.100 -0.313 0.000 0.902 484 G HN 0.736 nan 8.290 nan 0.000 0.678 485 W N 2.579 124.018 121.300 0.231 0.000 1.890 485 W HA 0.349 5.007 4.660 -0.004 0.000 0.293 485 W C -2.702 173.907 176.519 0.151 0.000 0.895 485 W CA -1.297 56.185 57.345 0.228 0.000 1.968 485 W CB 1.395 30.983 29.460 0.214 0.000 2.198 485 W HN 0.064 nan 8.180 nan 0.000 0.401 486 P HA 0.495 nan 4.420 nan 0.000 0.285 486 P C -0.085 177.283 177.300 0.114 0.000 1.285 486 P CA -0.383 62.802 63.100 0.141 0.000 0.854 486 P CB 1.699 33.457 31.700 0.097 0.000 1.180 487 A N 1.752 124.619 122.820 0.077 0.000 2.531 487 A HA 0.376 4.694 4.320 -0.004 0.000 0.236 487 A C 0.659 178.305 177.584 0.104 0.000 1.062 487 A CA 0.285 52.376 52.037 0.089 0.000 0.760 487 A CB -0.425 18.634 19.000 0.097 0.000 0.995 487 A HN 0.727 nan 8.150 nan 0.000 0.501 488 R N 0.470 121.040 120.500 0.118 0.000 2.690 488 R HA 0.548 4.886 4.340 -0.004 0.000 0.269 488 R C -1.814 174.565 176.300 0.132 0.000 1.037 488 R CA -0.979 55.187 56.100 0.110 0.000 0.877 488 R CB 0.698 31.055 30.300 0.095 0.000 1.255 488 R HN 0.325 nan 8.270 nan 0.000 0.467 489 V N 1.566 121.551 119.914 0.119 0.000 2.637 489 V HA 0.236 4.354 4.120 -0.004 0.000 0.296 489 V C 0.431 176.590 176.094 0.108 0.000 1.046 489 V CA 0.280 62.664 62.300 0.139 0.000 1.066 489 V CB 1.279 33.156 31.823 0.090 0.000 0.968 489 V HN 0.901 nan 8.190 nan 0.000 0.483 490 T N -0.247 114.373 114.554 0.111 0.000 3.154 490 T HA 0.317 4.665 4.350 -0.004 0.000 0.381 490 T C 0.014 174.765 174.700 0.084 0.000 1.368 490 T CA -0.663 61.491 62.100 0.089 0.000 1.155 490 T CB 0.471 69.386 68.868 0.079 0.000 1.120 490 T HN 0.774 nan 8.240 nan 0.000 0.570 491 D N 1.642 122.087 120.400 0.075 0.000 2.368 491 D HA 0.093 4.730 4.640 -0.004 0.000 0.218 491 D C 0.553 176.888 176.300 0.057 0.000 1.112 491 D CA -0.463 53.576 54.000 0.064 0.000 0.834 491 D CB 0.279 41.111 40.800 0.054 0.000 0.953 491 D HN 0.567 nan 8.370 nan 0.000 0.505 492 K N 0.627 121.067 120.400 0.068 0.000 2.972 492 K HA 0.227 4.545 4.320 -0.004 0.000 0.209 492 K C -0.354 176.301 176.600 0.092 0.000 1.128 492 K CA -0.571 55.757 56.287 0.068 0.000 1.024 492 K CB 1.210 33.750 32.500 0.067 0.000 0.754 492 K HN 0.012 nan 8.250 nan 0.000 0.454 493 I N 1.931 122.560 120.570 0.098 0.000 2.499 493 I HA 0.227 4.395 4.170 -0.004 0.000 0.296 493 I C 0.786 176.985 176.117 0.136 0.000 0.992 493 I CA -0.078 61.304 61.300 0.137 0.000 1.297 493 I CB 1.202 39.283 38.000 0.135 0.000 1.410 493 I HN 0.182 nan 8.210 nan 0.000 0.507 494 S N 5.146 120.969 115.700 0.204 0.000 2.625 494 S HA 0.853 5.320 4.470 -0.004 0.000 0.271 494 S C -0.942 173.873 174.600 0.357 0.000 1.161 494 S CA -0.777 57.503 58.200 0.133 0.000 0.820 494 S CB 2.495 65.720 63.200 0.041 0.000 1.137 494 S HN 0.459 nan 8.310 nan 0.000 0.470 495 F N -1.322 118.750 119.950 0.204 0.000 2.662 495 F HA 0.881 5.406 4.527 -0.003 0.000 0.312 495 F C -1.353 174.555 175.800 0.181 0.000 1.113 495 F CA -1.093 57.085 58.000 0.296 0.000 0.951 495 F CB 1.370 40.509 39.000 0.231 0.000 1.344 495 F HN 0.662 nan 8.300 nan 0.000 0.462 496 K N 1.427 122.123 120.400 0.493 0.000 2.378 496 K HA 0.385 4.703 4.320 -0.004 0.000 0.252 496 K C -2.239 174.407 176.600 0.078 0.000 0.931 496 K CA -0.855 55.492 56.287 0.100 0.000 0.794 496 K CB 2.657 34.994 32.500 -0.273 0.000 1.181 496 K HN 0.768 nan 8.250 nan 0.000 0.425 497 Y N 3.190 123.454 120.300 -0.060 0.000 2.342 497 Y HA 0.375 4.923 4.550 -0.004 0.000 0.338 497 Y C -1.319 174.546 175.900 -0.059 0.000 0.965 497 Y CA -0.928 57.258 58.100 0.142 0.000 1.159 497 Y CB 0.481 39.217 38.460 0.459 0.000 1.157 497 Y HN 0.425 nan 8.280 nan 0.000 0.486 498 F N 6.464 126.331 119.950 -0.138 0.000 2.404 498 F HA 0.595 5.120 4.527 -0.004 0.000 0.339 498 F C -0.151 175.599 175.800 -0.083 0.000 1.105 498 F CA -0.478 57.479 58.000 -0.072 0.000 1.087 498 F CB 1.234 40.127 39.000 -0.178 0.000 1.143 498 F HN 0.321 nan 8.300 nan 0.000 0.491 499 M N 2.192 121.957 119.600 0.274 0.000 2.572 499 M HA 0.282 4.760 4.480 -0.004 0.000 0.299 499 M C -1.387 175.049 176.300 0.227 0.000 1.205 499 M CA -0.862 54.565 55.300 0.211 0.000 0.876 499 M CB 2.190 34.950 32.600 0.266 0.000 1.728 499 M HN 0.385 nan 8.290 nan 0.000 0.458 500 D N 2.517 122.989 120.400 0.119 0.000 2.373 500 D HA 0.325 4.963 4.640 -0.004 0.000 0.227 500 D C -0.584 175.764 176.300 0.080 0.000 1.091 500 D CA -0.159 53.918 54.000 0.128 0.000 0.840 500 D CB 0.961 41.801 40.800 0.067 0.000 1.060 500 D HN 0.630 nan 8.370 nan 0.000 0.502 501 L N 3.431 124.762 121.223 0.180 0.000 2.848 501 L HA 0.044 4.382 4.340 -0.004 0.000 0.240 501 L C 2.131 179.039 176.870 0.064 0.000 1.232 501 L CA -0.216 54.668 54.840 0.074 0.000 1.031 501 L CB -0.031 42.017 42.059 -0.019 0.000 1.338 501 L HN 0.332 nan 8.230 nan 0.000 0.509 502 S N 0.024 115.767 115.700 0.073 0.000 2.387 502 S HA -0.234 4.234 4.470 -0.004 0.000 0.230 502 S C 1.764 176.366 174.600 0.002 0.000 1.035 502 S CA 1.473 59.703 58.200 0.051 0.000 1.014 502 S CB -0.207 63.018 63.200 0.042 0.000 0.836 502 S HN 0.669 nan 8.310 nan 0.000 0.466 503 E N 1.553 121.745 120.200 -0.012 0.000 2.274 503 E HA -0.093 4.255 4.350 -0.004 0.000 0.194 503 E C 1.969 178.500 176.600 -0.114 0.000 0.996 503 E CA 0.703 57.083 56.400 -0.034 0.000 0.840 503 E CB -0.437 29.277 29.700 0.024 0.000 0.772 503 E HN 0.536 nan 8.360 nan 0.000 0.491 504 I N 1.555 122.095 120.570 -0.049 0.000 2.233 504 I HA -0.154 4.014 4.170 -0.004 0.000 0.243 504 I C 2.700 178.739 176.117 -0.130 0.000 1.093 504 I CA 0.521 61.770 61.300 -0.083 0.000 1.380 504 I CB -1.199 36.824 38.000 0.038 0.000 1.067 504 I HN -0.028 nan 8.210 nan 0.000 0.413 505 V N 1.803 121.678 119.914 -0.064 0.000 2.332 505 V HA -0.269 3.849 4.120 -0.004 0.000 0.248 505 V C 2.874 178.925 176.094 -0.071 0.000 1.055 505 V CA 1.904 64.180 62.300 -0.040 0.000 1.038 505 V CB -1.270 30.565 31.823 0.019 0.000 0.651 505 V HN 0.464 nan 8.190 nan 0.000 0.450 506 A N -0.123 122.643 122.820 -0.089 0.000 2.019 506 A HA -0.039 4.279 4.320 -0.004 0.000 0.219 506 A C 2.252 179.741 177.584 -0.159 0.000 1.164 506 A CA 1.791 53.770 52.037 -0.097 0.000 0.644 506 A CB -0.559 18.393 19.000 -0.079 0.000 0.805 506 A HN 0.612 nan 8.150 nan 0.000 0.449 507 A N -1.817 120.827 122.820 -0.295 0.000 2.208 507 A HA 0.401 4.719 4.320 -0.004 0.000 0.209 507 A C 1.791 179.256 177.584 -0.199 0.000 1.161 507 A CA 1.199 52.998 52.037 -0.397 0.000 0.782 507 A CB -0.894 17.485 19.000 -1.034 0.000 0.816 507 A HN 1.872 nan 8.150 nan 0.000 0.477 508 G N -1.154 107.569 108.800 -0.128 0.000 2.136 508 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.242 508 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.242 508 G C -0.075 174.798 174.900 -0.045 0.000 0.989 508 G CA 0.280 45.343 45.100 -0.062 0.000 0.682 508 G HN 0.314 nan 8.290 nan 0.000 0.522 509 I N 0.718 121.250 120.570 -0.064 0.000 2.460 509 I HA 0.361 4.529 4.170 -0.004 0.000 0.298 509 I C -0.074 176.031 176.117 -0.020 0.000 0.989 509 I CA -1.428 59.860 61.300 -0.020 0.000 1.173 509 I CB 1.569 39.577 38.000 0.014 0.000 1.338 509 I HN 0.042 nan 8.210 nan 0.000 0.456 510 D N 7.741 128.137 120.400 -0.007 0.000 2.358 510 D HA 0.152 4.789 4.640 -0.004 0.000 0.258 510 D C -1.736 174.534 176.300 -0.050 0.000 1.223 510 D CA -1.758 52.233 54.000 -0.015 0.000 0.886 510 D CB 1.741 42.542 40.800 0.002 0.000 1.120 510 D HN 0.174 nan 8.370 nan 0.000 0.482 511 P HA -0.095 nan 4.420 nan 0.000 0.218 511 P C 1.349 178.530 177.300 -0.197 0.000 1.148 511 P CA 0.906 63.832 63.100 -0.290 0.000 0.822 511 P CB 0.194 31.386 31.700 -0.848 0.000 0.784 512 L N -1.007 120.157 121.223 -0.099 0.000 2.551 512 L HA -0.033 4.305 4.340 -0.004 0.000 0.228 512 L C 2.076 178.940 176.870 -0.009 0.000 1.153 512 L CA 1.260 56.090 54.840 -0.015 0.000 0.851 512 L CB -0.884 41.201 42.059 0.043 0.000 0.959 512 L HN 0.117 nan 8.230 nan 0.000 0.451 513 S N -0.798 114.895 115.700 -0.012 0.000 2.528 513 S HA 0.132 4.600 4.470 -0.004 0.000 0.219 513 S C 0.868 175.467 174.600 -0.002 0.000 0.985 513 S CA -0.393 57.806 58.200 -0.003 0.000 0.914 513 S CB -0.295 62.908 63.200 0.005 0.000 0.776 513 S HN 0.220 nan 8.310 nan 0.000 0.526 514 L N 2.266 123.490 121.223 0.003 0.000 2.499 514 L HA 0.175 4.513 4.340 -0.004 0.000 0.281 514 L C -0.101 176.757 176.870 -0.020 0.000 1.234 514 L CA -0.435 54.407 54.840 0.003 0.000 0.839 514 L CB 0.314 42.398 42.059 0.042 0.000 1.104 514 L HN 0.073 nan 8.230 nan 0.000 0.500 515 V N 1.369 121.252 119.914 -0.051 0.000 2.406 515 V HA 0.246 4.364 4.120 -0.004 0.000 0.272 515 V C 0.507 176.564 176.094 -0.061 0.000 1.043 515 V CA -0.487 61.778 62.300 -0.059 0.000 0.915 515 V CB 1.182 32.956 31.823 -0.081 0.000 0.988 515 V HN 0.910 nan 8.190 nan 0.000 0.466 516 T N 1.876 116.410 114.554 -0.033 0.000 2.925 516 T HA 0.840 5.188 4.350 -0.004 0.000 0.285 516 T C -0.231 174.457 174.700 -0.019 0.000 1.021 516 T CA -0.470 61.627 62.100 -0.005 0.000 1.042 516 T CB 1.819 70.699 68.868 0.021 0.000 1.037 516 T HN 0.863 nan 8.240 nan 0.000 0.481 517 S N 0.671 116.371 115.700 0.001 0.000 2.565 517 S HA 0.852 5.319 4.470 -0.004 0.000 0.269 517 S C -0.766 173.854 174.600 0.034 0.000 1.153 517 S CA -0.608 57.585 58.200 -0.012 0.000 0.835 517 S CB 1.439 64.602 63.200 -0.062 0.000 1.122 517 S HN 1.685 nan 8.310 nan 0.000 0.462 521 S N 0.632 116.358 115.700 0.043 0.000 2.582 521 S HA 0.498 4.966 4.470 -0.004 0.000 0.287 521 S C -1.701 172.921 174.600 0.036 0.000 1.146 521 S CA -0.401 57.831 58.200 0.053 0.000 0.941 521 S CB 1.172 64.409 63.200 0.063 0.000 1.115 521 S HN 1.128 nan 8.310 nan 0.000 0.458 522 E N 1.353 121.572 120.200 0.032 0.000 2.383 522 E HA 0.524 4.872 4.350 -0.004 0.000 0.264 522 E C 0.509 177.122 176.600 0.022 0.000 1.050 522 E CA 0.100 56.512 56.400 0.020 0.000 0.896 522 E CB 0.551 30.255 29.700 0.006 0.000 0.982 522 E HN 1.537 nan 8.360 nan 0.000 0.424 523 G N 1.936 110.748 108.800 0.019 0.000 3.409 523 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.686 523 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.686 523 G C 0.119 175.030 174.900 0.017 0.000 1.017 523 G CA -0.405 44.707 45.100 0.021 0.000 0.854 523 G HN 0.537 nan 8.290 nan 0.000 0.508 524 K N 1.128 121.537 120.400 0.015 0.000 2.283 524 K HA -0.006 4.312 4.320 -0.004 0.000 0.202 524 K C 1.718 178.321 176.600 0.004 0.000 1.048 524 K CA 1.130 57.423 56.287 0.009 0.000 0.948 524 K CB 0.072 32.578 32.500 0.009 0.000 0.742 524 K HN 0.450 nan 8.250 nan 0.000 0.458 525 N N 0.941 119.644 118.700 0.005 0.000 2.336 525 N HA -0.015 4.723 4.740 -0.004 0.000 0.189 525 N C -0.356 175.146 175.510 -0.013 0.000 1.113 525 N CA 0.367 53.415 53.050 -0.003 0.000 0.858 525 N CB 0.440 38.928 38.487 0.002 0.000 0.970 525 N HN 0.043 nan 8.380 nan 0.000 0.471 526 T N 1.820 116.369 114.554 -0.009 0.000 2.792 526 T HA -0.008 4.340 4.350 -0.004 0.000 0.286 526 T C 0.499 175.171 174.700 -0.047 0.000 0.970 526 T CA 0.563 62.649 62.100 -0.023 0.000 1.187 526 T CB 0.359 69.229 68.868 0.003 0.000 0.915 526 T HN 0.073 nan 8.240 nan 0.000 0.529 527 K N 3.623 123.973 120.400 -0.084 0.000 2.450 527 K HA 0.498 4.816 4.320 -0.004 0.000 0.257 527 K C -1.217 175.287 176.600 -0.159 0.000 0.953 527 K CA -0.645 55.583 56.287 -0.098 0.000 0.844 527 K CB 1.053 33.503 32.500 -0.084 0.000 1.103 527 K HN 0.314 nan 8.250 nan 0.000 0.429 528 V N 4.616 124.442 119.914 -0.145 0.000 2.370 528 V HA 0.298 4.415 4.120 -0.004 0.000 0.279 528 V C 0.127 176.126 176.094 -0.159 0.000 1.029 528 V CA -0.630 61.549 62.300 -0.202 0.000 0.870 528 V CB 0.979 32.713 31.823 -0.148 0.000 0.984 528 V HN 0.994 nan 8.190 nan 0.000 0.451 529 S N 4.466 120.048 115.700 -0.196 0.000 2.624 529 S HA 0.598 5.065 4.470 -0.004 0.000 0.263 529 S C 0.612 175.134 174.600 -0.130 0.000 1.287 529 S CA 0.006 58.109 58.200 -0.162 0.000 0.990 529 S CB 1.291 64.365 63.200 -0.211 0.000 0.950 529 S HN 0.979 nan 8.310 nan 0.000 0.561 530 G N -0.376 108.362 108.800 -0.104 0.000 2.588 530 G HA2 0.450 4.408 3.960 -0.004 0.000 0.278 530 G HA3 0.450 4.408 3.960 -0.004 0.000 0.278 530 G C -0.474 174.378 174.900 -0.080 0.000 1.307 530 G CA -0.869 44.190 45.100 -0.068 0.000 1.016 530 G HN 0.828 nan 8.290 nan 0.000 0.503 531 V N 0.299 120.199 119.914 -0.025 0.000 2.585 531 V HA 0.210 4.328 4.120 -0.004 0.000 0.296 531 V C 0.414 176.514 176.094 0.010 0.000 1.035 531 V CA 0.443 62.750 62.300 0.011 0.000 1.084 531 V CB 0.368 32.224 31.823 0.055 0.000 0.953 531 V HN 0.372 nan 8.190 nan 0.000 0.483 532 L N 7.340 128.533 121.223 -0.050 0.000 2.341 532 L HA 0.577 4.915 4.340 -0.004 0.000 0.267 532 L C -2.351 174.689 176.870 0.283 0.000 1.009 532 L CA -2.012 52.817 54.840 -0.018 0.000 0.819 532 L CB 2.803 44.622 42.059 -0.400 0.000 1.323 532 L HN 0.411 nan 8.230 nan 0.000 0.425 533 P HA 0.001 nan 4.420 nan 0.000 0.275 533 P C -0.868 176.607 177.300 0.292 0.000 1.228 533 P CA -0.023 63.125 63.100 0.079 0.000 0.786 533 P CB 1.611 33.324 31.700 0.022 0.000 0.927 534 W N 2.223 123.505 121.300 -0.031 0.000 4.271 534 W HA 0.185 4.843 4.660 -0.003 0.000 0.208 534 W C -0.520 175.953 176.519 -0.077 0.000 0.940 534 W CA 0.569 57.944 57.345 0.050 0.000 2.040 534 W CB 0.501 30.065 29.460 0.174 0.000 0.875 534 W HN 0.230 nan 8.180 nan 0.000 0.877 535 D N 0.398 120.847 120.400 0.082 0.000 2.586 535 D HA 0.087 4.725 4.640 -0.004 0.000 0.254 535 D C 0.988 177.238 176.300 -0.083 0.000 1.248 535 D CA 0.158 54.113 54.000 -0.075 0.000 0.843 535 D CB 0.543 41.354 40.800 0.018 0.000 1.332 535 D HN 0.060 nan 8.370 nan 0.000 0.523 536 V N 1.140 120.951 119.914 -0.172 0.000 2.720 536 V HA -0.139 3.979 4.120 -0.004 0.000 0.256 536 V C 1.992 178.068 176.094 -0.030 0.000 1.082 536 V CA 2.001 64.203 62.300 -0.163 0.000 1.101 536 V CB -1.055 30.691 31.823 -0.128 0.000 0.693 536 V HN 0.462 nan 8.190 nan 0.000 0.479 537 S N 0.540 116.220 115.700 -0.034 0.000 2.442 537 S HA -0.131 4.336 4.470 -0.004 0.000 0.236 537 S C 1.493 176.100 174.600 0.012 0.000 1.007 537 S CA 1.536 59.730 58.200 -0.010 0.000 0.965 537 S CB -0.747 62.437 63.200 -0.028 0.000 0.773 537 S HN 0.715 nan 8.310 nan 0.000 0.504 538 N N 1.597 120.309 118.700 0.020 0.000 2.235 538 N HA 0.204 4.941 4.740 -0.004 0.000 0.231 538 N C -0.628 174.931 175.510 0.082 0.000 1.177 538 N CA -0.038 53.039 53.050 0.044 0.000 0.874 538 N CB 0.191 38.703 38.487 0.041 0.000 1.097 538 N HN 0.317 nan 8.380 nan 0.000 0.518 539 N N 0.126 118.886 118.700 0.100 0.000 2.714 539 N HA -0.142 4.595 4.740 -0.004 0.000 0.250 539 N C -0.688 174.989 175.510 0.278 0.000 1.117 539 N CA 0.460 53.642 53.050 0.221 0.000 0.719 539 N CB -1.399 37.209 38.487 0.202 0.000 1.081 539 N HN 0.021 nan 8.380 nan 0.000 0.557 540 V N 1.448 121.440 119.914 0.131 0.000 2.406 540 V HA 0.388 4.506 4.120 -0.004 0.000 0.272 540 V C 0.208 176.386 176.094 0.140 0.000 1.043 540 V CA -0.185 62.250 62.300 0.226 0.000 0.915 540 V CB 0.532 32.512 31.823 0.263 0.000 0.988 540 V HN 0.078 nan 8.190 nan 0.000 0.466 541 Y N 4.348 124.861 120.300 0.355 0.000 2.633 541 Y HA 0.785 5.333 4.550 -0.004 0.000 0.339 541 Y C -0.178 175.983 175.900 0.435 0.000 1.045 541 Y CA -1.068 57.269 58.100 0.396 0.000 1.098 541 Y CB 2.027 40.642 38.460 0.257 0.000 1.296 541 Y HN 0.688 nan 8.280 nan 0.000 0.494 542 Y N -2.653 117.813 120.300 0.277 0.000 2.670 542 Y HA 0.825 5.373 4.550 -0.004 0.000 0.334 542 Y C -2.193 173.733 175.900 0.044 0.000 1.185 542 Y CA -1.556 56.547 58.100 0.006 0.000 1.053 542 Y CB 0.874 39.054 38.460 -0.467 0.000 1.298 542 Y HN 0.287 nan 8.280 nan 0.000 0.459 543 V N 2.830 122.740 119.914 -0.006 0.000 2.417 543 V HA 0.300 4.418 4.120 -0.004 0.000 0.291 543 V C -0.648 175.314 176.094 -0.219 0.000 1.024 543 V CA -0.805 61.392 62.300 -0.172 0.000 0.861 543 V CB 1.400 33.203 31.823 -0.033 0.000 0.985 543 V HN 0.835 nan 8.190 nan 0.000 0.436 544 N N 3.650 122.144 118.700 -0.342 0.000 2.426 544 N HA 0.443 5.181 4.740 -0.004 0.000 0.275 544 N C -1.341 173.934 175.510 -0.392 0.000 1.019 544 N CA -0.258 52.655 53.050 -0.229 0.000 0.941 544 N CB 1.895 40.300 38.487 -0.137 0.000 1.123 544 N HN 0.406 nan 8.380 nan 0.000 0.486 545 V N 3.083 122.636 119.914 -0.602 0.000 2.378 545 V HA 0.187 4.305 4.120 -0.004 0.000 0.288 545 V C -0.359 175.406 176.094 -0.549 0.000 1.016 545 V CA -0.795 61.038 62.300 -0.778 0.000 0.840 545 V CB 1.316 32.206 31.823 -1.554 0.000 0.994 545 V HN 0.635 nan 8.190 nan 0.000 0.431 546 D N 3.953 124.169 120.400 -0.307 0.000 2.217 546 D HA 0.489 5.127 4.640 -0.004 0.000 0.243 546 D C 0.209 176.446 176.300 -0.104 0.000 1.054 546 D CA -0.257 53.645 54.000 -0.163 0.000 0.838 546 D CB 1.864 42.598 40.800 -0.109 0.000 1.162 546 D HN 0.410 nan 8.370 nan 0.000 0.472 547 L N 2.448 123.647 121.223 -0.040 0.000 2.959 547 L HA 0.199 4.536 4.340 -0.004 0.000 0.259 547 L C 0.500 177.381 176.870 0.019 0.000 1.185 547 L CA -0.212 54.630 54.840 0.003 0.000 0.998 547 L CB 0.538 42.626 42.059 0.049 0.000 1.337 547 L HN 0.308 nan 8.230 nan 0.000 0.555 548 T N 0.598 115.159 114.554 0.011 0.000 2.934 548 T HA 0.254 4.602 4.350 -0.004 0.000 0.306 548 T C 1.244 175.954 174.700 0.016 0.000 1.042 548 T CA 1.376 63.488 62.100 0.020 0.000 1.145 548 T CB 0.998 69.874 68.868 0.013 0.000 0.982 548 T HN 0.633 nan 8.240 nan 0.000 0.544 549 G N 2.681 111.495 108.800 0.025 0.000 2.254 549 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.225 549 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.225 549 G C 0.022 174.940 174.900 0.031 0.000 1.003 549 G CA -0.488 44.626 45.100 0.022 0.000 0.622 549 G HN 0.632 nan 8.290 nan 0.000 0.507 550 E N 1.063 121.285 120.200 0.037 0.000 2.344 550 E HA 0.114 4.462 4.350 -0.004 0.000 0.270 550 E C 0.295 176.938 176.600 0.072 0.000 1.021 550 E CA -0.326 56.104 56.400 0.049 0.000 0.887 550 E CB 0.573 30.300 29.700 0.045 0.000 0.997 550 E HN 0.506 nan 8.360 nan 0.000 0.429 551 N N 4.674 123.431 118.700 0.095 0.000 3.245 551 N HA 0.063 4.800 4.740 -0.004 0.000 0.296 551 N C -0.511 175.145 175.510 0.242 0.000 1.254 551 N CA -0.202 52.941 53.050 0.156 0.000 1.190 551 N CB -0.073 38.505 38.487 0.153 0.000 1.460 551 N HN 0.336 nan 8.380 nan 0.000 0.538 552 I N 3.451 124.119 120.570 0.163 0.000 2.352 552 I HA 0.166 4.334 4.170 -0.004 0.000 0.290 552 I C -0.487 175.742 176.117 0.187 0.000 1.036 552 I CA -0.680 60.680 61.300 0.101 0.000 1.336 552 I CB 0.111 38.141 38.000 0.050 0.000 1.407 552 I HN 0.296 nan 8.210 nan 0.000 0.497 553 Y N 5.617 125.966 120.300 0.083 0.000 2.571 553 Y HA 0.542 5.090 4.550 -0.003 0.000 0.341 553 Y C -2.873 173.125 175.900 0.163 0.000 1.076 553 Y CA -3.045 55.118 58.100 0.106 0.000 1.029 553 Y CB 1.251 39.768 38.460 0.096 0.000 1.308 553 Y HN 0.275 nan 8.280 nan 0.000 0.461 554 P HA 0.213 nan 4.420 nan 0.000 0.230 554 P C 0.165 177.681 177.300 0.360 0.000 1.791 554 P CA 0.549 63.811 63.100 0.269 0.000 1.020 554 P CB -0.160 31.689 31.700 0.248 0.000 1.977 555 G N 0.124 109.106 108.800 0.304 0.000 4.908 555 G HA2 0.511 4.469 3.960 -0.004 0.000 0.267 555 G HA3 0.511 4.469 3.960 -0.004 0.000 0.267 555 G C 0.081 175.253 174.900 0.453 0.000 0.958 555 G CA -0.102 45.361 45.100 0.604 0.000 0.743 555 G HN 0.644 nan 8.290 nan 0.000 0.410 556 G N -0.714 108.188 108.800 0.170 0.000 2.340 556 G HA2 0.257 4.214 3.960 -0.004 0.000 0.300 556 G HA3 0.257 4.214 3.960 -0.004 0.000 0.300 556 G C 0.171 175.120 174.900 0.083 0.000 1.488 556 G CA -0.495 44.687 45.100 0.137 0.000 0.878 556 G HN 0.039 nan 8.290 nan 0.000 0.618 557 Q N -0.179 119.670 119.800 0.082 0.000 2.084 557 Q HA -0.064 4.274 4.340 -0.004 0.000 0.202 557 Q C 2.574 178.627 176.000 0.087 0.000 0.978 557 Q CA 1.950 57.813 55.803 0.100 0.000 0.844 557 Q CB -0.073 28.712 28.738 0.079 0.000 0.898 557 Q HN 0.424 nan 8.270 nan 0.000 0.426 558 S N 0.492 116.220 115.700 0.047 0.000 2.425 558 S HA 0.031 4.499 4.470 -0.004 0.000 0.225 558 S C 2.039 176.611 174.600 -0.048 0.000 1.024 558 S CA 0.607 58.816 58.200 0.014 0.000 0.951 558 S CB -0.041 63.173 63.200 0.024 0.000 0.796 558 S HN 0.448 nan 8.310 nan 0.000 0.498 559 A N 1.070 123.820 122.820 -0.117 0.000 1.933 559 A HA -0.172 4.146 4.320 -0.004 0.000 0.218 559 A C 2.369 179.736 177.584 -0.363 0.000 1.175 559 A CA 1.679 53.485 52.037 -0.386 0.000 0.628 559 A CB -1.188 17.309 19.000 -0.839 0.000 0.814 559 A HN 0.784 nan 8.150 nan 0.000 0.444 560 C N -0.725 118.483 119.300 -0.153 0.000 2.626 560 C HA 0.505 4.963 4.460 -0.004 0.000 0.266 560 C C 1.055 176.031 174.990 -0.022 0.000 1.317 560 C CA -0.138 58.863 59.018 -0.028 0.000 1.716 560 C CB -1.694 26.155 27.740 0.183 0.000 1.819 560 C HN 0.620 nan 8.230 nan 0.000 0.578 561 R N -0.589 119.857 120.500 -0.090 0.000 2.837 561 R HA 0.807 5.145 4.340 -0.004 0.000 0.271 561 R C -1.224 174.966 176.300 -0.183 0.000 0.993 561 R CA -0.661 55.282 56.100 -0.263 0.000 0.931 561 R CB 0.927 30.937 30.300 -0.484 0.000 1.206 561 R HN 0.004 nan 8.270 nan 0.000 0.474 562 R N 1.336 121.714 120.500 -0.203 0.000 2.510 562 R HA 0.232 4.570 4.340 -0.004 0.000 0.294 562 R C -1.307 174.953 176.300 -0.067 0.000 1.056 562 R CA -0.678 55.374 56.100 -0.080 0.000 0.918 562 R CB 1.991 32.288 30.300 -0.005 0.000 1.187 562 R HN 0.862 nan 8.270 nan 0.000 0.437 563 E N 2.369 122.549 120.200 -0.033 0.000 2.249 563 E HA 0.464 4.812 4.350 -0.004 0.000 0.280 563 E C -1.001 175.653 176.600 0.090 0.000 1.016 563 E CA -0.652 55.754 56.400 0.009 0.000 0.830 563 E CB 1.346 31.048 29.700 0.003 0.000 1.081 563 E HN 0.187 nan 8.360 nan 0.000 0.395 564 V N 4.385 124.402 119.914 0.171 0.000 2.623 564 V HA 0.239 4.357 4.120 -0.004 0.000 0.304 564 V C -0.824 175.458 176.094 0.313 0.000 1.054 564 V CA -0.838 61.615 62.300 0.256 0.000 0.882 564 V CB 1.759 33.810 31.823 0.379 0.000 1.002 564 V HN 0.740 nan 8.190 nan 0.000 0.424 565 Q N 4.344 124.280 119.800 0.226 0.000 2.316 565 Q HA 0.803 5.141 4.340 -0.004 0.000 0.264 565 Q C -1.180 174.951 176.000 0.218 0.000 0.987 565 Q CA -0.441 55.445 55.803 0.138 0.000 0.852 565 Q CB 2.454 31.219 28.738 0.045 0.000 1.287 565 Q HN 0.761 nan 8.270 nan 0.000 0.448 566 F N -0.905 119.051 119.950 0.010 0.000 2.631 566 F HA 0.732 5.257 4.527 -0.004 0.000 0.308 566 F C -1.248 174.522 175.800 -0.049 0.000 1.097 566 F CA -1.241 56.746 58.000 -0.022 0.000 0.952 566 F CB 1.586 40.581 39.000 -0.008 0.000 1.307 566 F HN 0.352 nan 8.300 nan 0.000 0.450 567 R N 2.327 122.843 120.500 0.027 0.000 2.744 567 R HA 0.824 5.161 4.340 -0.004 0.000 0.279 567 R C -2.272 174.027 176.300 -0.003 0.000 0.977 567 R CA -0.789 55.267 56.100 -0.074 0.000 0.906 567 R CB 2.103 32.299 30.300 -0.172 0.000 1.197 567 R HN 0.823 nan 8.270 nan 0.000 0.463 568 I N 2.492 123.045 120.570 -0.028 0.000 2.465 568 I HA 0.588 4.756 4.170 -0.004 0.000 0.291 568 I C -0.727 175.171 176.117 -0.365 0.000 1.014 568 I CA -0.367 60.898 61.300 -0.058 0.000 1.093 568 I CB 2.151 40.254 38.000 0.172 0.000 1.267 568 I HN 0.763 nan 8.210 nan 0.000 0.431 569 A N 4.096 126.700 122.820 -0.361 0.000 2.422 569 A HA 0.958 5.276 4.320 -0.004 0.000 0.302 569 A C -0.559 176.821 177.584 -0.341 0.000 1.041 569 A CA -0.559 51.205 52.037 -0.455 0.000 0.708 569 A CB 1.386 20.208 19.000 -0.296 0.000 1.257 569 A HN 0.821 nan 8.150 nan 0.000 0.414 570 A N 2.390 124.989 122.820 -0.368 0.000 2.246 570 A HA 0.843 5.161 4.320 -0.004 0.000 0.291 570 A C -2.570 174.960 177.584 -0.090 0.000 1.103 570 A CA -1.733 50.249 52.037 -0.091 0.000 0.844 570 A CB -0.406 18.624 19.000 0.051 0.000 1.136 570 A HN 0.562 nan 8.150 nan 0.000 0.500 571 P HA 0.021 nan 4.420 nan 0.000 0.265 571 P C -0.396 176.864 177.300 -0.067 0.000 1.187 571 P CA 0.153 63.237 63.100 -0.027 0.000 0.766 571 P CB 0.282 32.001 31.700 0.032 0.000 0.820 572 Q N 1.835 121.604 119.800 -0.053 0.000 2.386 572 Q HA 0.190 4.527 4.340 -0.004 0.000 0.282 572 Q C 1.264 177.235 176.000 -0.049 0.000 1.050 572 Q CA 1.141 56.915 55.803 -0.049 0.000 0.918 572 Q CB -0.358 28.358 28.738 -0.036 0.000 1.266 572 Q HN 0.803 nan 8.270 nan 0.000 0.423 573 G N 2.032 110.800 108.800 -0.053 0.000 2.234 573 G HA2 -0.318 3.639 3.960 -0.004 0.000 0.260 573 G HA3 -0.318 3.639 3.960 -0.004 0.000 0.260 573 G C 0.199 175.047 174.900 -0.087 0.000 0.987 573 G CA 0.546 45.616 45.100 -0.051 0.000 0.625 573 G HN 0.903 nan 8.290 nan 0.000 0.532 574 T N -1.648 112.810 114.554 -0.160 0.000 2.899 574 T HA 0.605 4.953 4.350 -0.004 0.000 0.284 574 T C 0.995 175.490 174.700 -0.342 0.000 1.004 574 T CA 0.926 62.831 62.100 -0.325 0.000 1.043 574 T CB 1.788 70.268 68.868 -0.647 0.000 1.013 574 T HN 1.123 nan 8.240 nan 0.000 0.518 575 T N -1.968 112.363 114.554 -0.373 0.000 3.275 575 T HA 0.147 4.495 4.350 -0.004 0.000 0.298 575 T C 0.727 175.375 174.700 -0.085 0.000 0.988 575 T CA -0.494 61.503 62.100 -0.173 0.000 0.936 575 T CB -0.668 68.166 68.868 -0.057 0.000 1.159 575 T HN 0.766 nan 8.240 nan 0.000 0.519 576 Y N -1.392 118.972 120.300 0.107 0.000 2.500 576 Y HA 0.423 4.971 4.550 -0.004 0.000 0.270 576 Y C 0.959 176.938 175.900 0.132 0.000 1.134 576 Y CA -2.779 55.377 58.100 0.094 0.000 1.293 576 Y CB -0.466 38.037 38.460 0.073 0.000 1.063 576 Y HN 0.394 nan 8.280 nan 0.000 0.534 577 W N 4.485 125.811 121.300 0.042 0.000 2.385 577 W HA 0.041 4.699 4.660 -0.004 0.000 0.336 577 W C -0.839 175.691 176.519 0.018 0.000 1.351 577 W CA 0.400 57.785 57.345 0.068 0.000 1.295 577 W CB 0.468 29.910 29.460 -0.029 0.000 1.239 577 W HN 0.233 nan 8.180 nan 0.000 0.565 578 N N 8.406 126.813 118.700 -0.489 0.000 2.623 578 N HA 0.243 4.981 4.740 -0.004 0.000 0.256 578 N C -1.668 173.412 175.510 -0.717 0.000 1.045 578 N CA -2.175 50.609 53.050 -0.444 0.000 0.863 578 N CB 1.566 39.933 38.487 -0.201 0.000 1.182 578 N HN 0.145 nan 8.380 nan 0.000 0.523 579 P HA -0.081 nan 4.420 nan 0.000 0.229 579 P C 0.370 177.313 177.300 -0.594 0.000 1.160 579 P CA 0.867 63.400 63.100 -0.946 0.000 0.777 579 P CB 0.493 31.335 31.700 -1.429 0.000 0.814 580 K N 0.759 120.987 120.400 -0.287 0.000 2.280 580 K HA -0.090 4.228 4.320 -0.004 0.000 0.202 580 K C 1.380 177.974 176.600 -0.010 0.000 1.047 580 K CA 1.343 57.621 56.287 -0.014 0.000 0.942 580 K CB -0.474 32.035 32.500 0.014 0.000 0.739 580 K HN 0.260 nan 8.250 nan 0.000 0.457 581 N N 0.345 118.997 118.700 -0.079 0.000 2.270 581 N HA -0.025 4.713 4.740 -0.004 0.000 0.198 581 N C -0.806 174.703 175.510 -0.003 0.000 1.117 581 N CA 0.073 53.106 53.050 -0.027 0.000 0.845 581 N CB 0.135 38.602 38.487 -0.034 0.000 0.980 581 N HN -0.101 nan 8.380 nan 0.000 0.486 582 D N 0.678 121.063 120.400 -0.025 0.000 2.317 582 D HA 0.064 4.701 4.640 -0.004 0.000 0.252 582 D C 0.687 177.054 176.300 0.111 0.000 1.174 582 D CA -0.541 53.479 54.000 0.034 0.000 0.866 582 D CB 0.705 41.496 40.800 -0.015 0.000 1.127 582 D HN -0.007 nan 8.370 nan 0.000 0.467 583 F N 2.318 122.255 119.950 -0.023 0.000 2.091 583 F HA -0.281 4.244 4.527 -0.003 0.000 0.299 583 F C 1.972 177.750 175.800 -0.037 0.000 1.103 583 F CA 1.620 59.593 58.000 -0.045 0.000 1.228 583 F CB 0.085 39.017 39.000 -0.113 0.000 0.984 583 F HN 0.219 nan 8.300 nan 0.000 0.477 584 S N -1.569 114.128 115.700 -0.005 0.000 2.561 584 S HA -0.105 4.363 4.470 -0.004 0.000 0.225 584 S C 1.328 175.914 174.600 -0.024 0.000 0.977 584 S CA 0.299 58.394 58.200 -0.175 0.000 0.926 584 S CB -0.527 62.361 63.200 -0.520 0.000 0.769 584 S HN 0.592 nan 8.310 nan 0.000 0.533 585 Y N 2.066 122.319 120.300 -0.078 0.000 2.503 585 Y HA 0.205 4.753 4.550 -0.003 0.000 0.278 585 Y C 0.446 176.340 175.900 -0.011 0.000 1.111 585 Y CA -0.248 57.893 58.100 0.068 0.000 1.270 585 Y CB 0.069 38.592 38.460 0.104 0.000 1.063 585 Y HN 0.053 nan 8.280 nan 0.000 0.548 586 D N 0.376 120.780 120.400 0.006 0.000 2.412 586 D HA 0.246 4.884 4.640 -0.004 0.000 0.257 586 D C 1.201 177.416 176.300 -0.143 0.000 1.217 586 D CA 1.756 55.707 54.000 -0.082 0.000 0.897 586 D CB 0.151 40.870 40.800 -0.135 0.000 1.132 586 D HN 0.577 nan 8.370 nan 0.000 0.493 587 G N 3.113 111.831 108.800 -0.138 0.000 2.199 587 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.254 587 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.254 587 G C 0.452 175.268 174.900 -0.141 0.000 0.982 587 G CA 0.173 45.198 45.100 -0.125 0.000 0.632 587 G HN 0.648 nan 8.290 nan 0.000 0.529 588 L N 2.623 123.728 121.223 -0.196 0.000 2.640 588 L HA 0.411 4.749 4.340 -0.004 0.000 0.280 588 L C -1.463 175.306 176.870 -0.168 0.000 1.229 588 L CA -0.528 54.206 54.840 -0.178 0.000 0.919 588 L CB 0.055 41.953 42.059 -0.268 0.000 1.168 588 L HN 0.036 nan 8.230 nan 0.000 0.496 589 P HA 0.046 nan 4.420 nan 0.000 0.264 589 P C 0.492 177.743 177.300 -0.081 0.000 1.193 589 P CA 0.213 63.272 63.100 -0.069 0.000 0.763 589 P CB 0.506 32.187 31.700 -0.032 0.000 0.810 590 T N -1.100 113.411 114.554 -0.071 0.000 3.113 590 T HA -0.002 4.346 4.350 -0.004 0.000 0.263 590 T C 0.763 175.446 174.700 -0.029 0.000 1.143 590 T CA 0.946 63.010 62.100 -0.059 0.000 1.090 590 T CB -0.763 68.080 68.868 -0.042 0.000 0.922 590 T HN 0.551 nan 8.240 nan 0.000 0.521 591 T N -1.599 112.942 114.554 -0.022 0.000 2.693 591 T HA 0.513 4.861 4.350 -0.004 0.000 0.278 591 T C 1.024 175.721 174.700 -0.005 0.000 0.994 591 T CA -0.119 61.977 62.100 -0.008 0.000 1.033 591 T CB 1.390 70.255 68.868 -0.003 0.000 1.342 591 T HN 0.060 nan 8.240 nan 0.000 0.538 592 S N -0.133 115.569 115.700 0.002 0.000 2.660 592 S HA 0.121 4.589 4.470 -0.004 0.000 0.223 592 S C 0.941 175.549 174.600 0.013 0.000 0.963 592 S CA 0.095 58.299 58.200 0.006 0.000 0.932 592 S CB -1.313 61.893 63.200 0.009 0.000 0.775 592 S HN 1.103 nan 8.310 nan 0.000 0.531 593 T N 1.126 115.687 114.554 0.012 0.000 2.891 593 T HA 0.552 4.899 4.350 -0.004 0.000 0.315 593 T C 0.228 174.940 174.700 0.020 0.000 1.054 593 T CA -0.673 61.438 62.100 0.019 0.000 0.958 593 T CB 0.175 69.051 68.868 0.013 0.000 1.008 593 T HN 0.402 nan 8.240 nan 0.000 0.521 594 V N 1.831 121.766 119.914 0.036 0.000 2.963 594 V HA 0.566 4.684 4.120 -0.004 0.000 0.306 594 V C 0.050 176.171 176.094 0.045 0.000 1.077 594 V CA -0.701 61.625 62.300 0.044 0.000 1.124 594 V CB 0.645 32.511 31.823 0.071 0.000 0.987 594 V HN 0.947 nan 8.190 nan 0.000 0.487 595 N N 0.863 119.588 118.700 0.041 0.000 2.416 595 N HA 0.404 5.142 4.740 -0.004 0.000 0.276 595 N C -0.722 174.820 175.510 0.054 0.000 1.261 595 N CA -0.342 52.730 53.050 0.036 0.000 0.790 595 N CB 2.280 40.778 38.487 0.018 0.000 1.554 595 N HN 0.894 nan 8.380 nan 0.000 0.481 596 T N 0.918 115.507 114.554 0.058 0.000 2.871 596 T HA 0.326 4.674 4.350 -0.004 0.000 0.296 596 T C 0.097 174.870 174.700 0.121 0.000 0.998 596 T CA 0.014 62.178 62.100 0.106 0.000 1.162 596 T CB -0.423 68.515 68.868 0.116 0.000 0.947 596 T HN 0.395 nan 8.240 nan 0.000 0.536 597 V N 1.200 121.212 119.914 0.165 0.000 2.864 597 V HA 0.791 4.909 4.120 -0.004 0.000 0.314 597 V C 0.704 176.866 176.094 0.114 0.000 1.073 597 V CA -0.733 61.628 62.300 0.102 0.000 0.956 597 V CB 1.893 33.757 31.823 0.067 0.000 1.023 597 V HN 0.871 nan 8.190 nan 0.000 0.435 598 T N -1.244 113.287 114.554 -0.039 0.000 3.085 598 T HA 0.154 4.502 4.350 -0.004 0.000 0.264 598 T C 0.624 175.246 174.700 -0.130 0.000 1.019 598 T CA 0.446 62.432 62.100 -0.189 0.000 0.910 598 T CB -0.632 68.091 68.868 -0.242 0.000 1.059 598 T HN 0.845 nan 8.240 nan 0.000 0.542 599 N N 1.211 119.860 118.700 -0.085 0.000 2.234 599 N HA 0.239 4.977 4.740 -0.004 0.000 0.227 599 N C -0.192 175.424 175.510 0.177 0.000 1.151 599 N CA -0.607 52.388 53.050 -0.091 0.000 0.865 599 N CB -0.064 38.073 38.487 -0.583 0.000 1.066 599 N HN 0.478 nan 8.380 nan 0.000 0.515 600 I N 1.626 122.325 120.570 0.215 0.000 2.833 600 I HA 0.275 4.443 4.170 -0.004 0.000 0.286 600 I C -2.449 173.864 176.117 0.328 0.000 1.287 600 I CA -2.009 59.489 61.300 0.331 0.000 1.046 600 I CB 1.324 39.499 38.000 0.293 0.000 1.612 600 I HN -0.199 nan 8.210 nan 0.000 0.585 601 P HA -0.010 nan 4.420 nan 0.000 0.265 601 P C -0.325 177.117 177.300 0.237 0.000 1.187 601 P CA 0.296 63.515 63.100 0.199 0.000 0.766 601 P CB 1.411 33.183 31.700 0.121 0.000 0.820 602 V N 4.575 124.534 119.914 0.075 0.000 2.483 602 V HA 0.339 4.456 4.120 -0.004 0.000 0.295 602 V C -0.287 175.722 176.094 -0.142 0.000 1.035 602 V CA -0.345 62.062 62.300 0.177 0.000 0.896 602 V CB 0.769 32.736 31.823 0.241 0.000 0.986 602 V HN 0.404 nan 8.190 nan 0.000 0.447 603 Y N 1.421 121.843 120.300 0.204 0.000 2.485 603 Y HA 0.598 5.146 4.550 -0.003 0.000 0.345 603 Y C -0.139 175.837 175.900 0.127 0.000 0.998 603 Y CA -1.219 56.972 58.100 0.153 0.000 1.059 603 Y CB 1.719 40.260 38.460 0.135 0.000 1.234 603 Y HN 0.555 nan 8.280 nan 0.000 0.461 604 D N 2.483 123.019 120.400 0.227 0.000 2.462 604 D HA 0.159 4.797 4.640 -0.004 0.000 0.245 604 D C -0.457 175.934 176.300 0.153 0.000 1.122 604 D CA -0.417 53.680 54.000 0.162 0.000 0.864 604 D CB 0.351 41.223 40.800 0.120 0.000 1.098 604 D HN 0.636 nan 8.370 nan 0.000 0.541 605 N N 3.368 122.150 118.700 0.136 0.000 2.727 605 N HA -0.215 4.523 4.740 -0.004 0.000 0.251 605 N C 0.982 176.568 175.510 0.126 0.000 1.040 605 N CA 1.936 55.050 53.050 0.107 0.000 0.712 605 N CB -1.149 37.390 38.487 0.085 0.000 0.912 605 N HN 0.831 nan 8.380 nan 0.000 0.545 606 G N -2.474 106.423 108.800 0.163 0.000 2.257 606 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.267 606 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.267 606 G C 0.142 175.217 174.900 0.292 0.000 0.984 606 G CA 0.533 45.736 45.100 0.172 0.000 0.626 606 G HN 0.894 nan 8.290 nan 0.000 0.540 607 V N 1.493 121.564 119.914 0.262 0.000 2.432 607 V HA 0.417 4.535 4.120 -0.004 0.000 0.275 607 V C 0.839 177.048 176.094 0.192 0.000 1.043 607 V CA -0.485 61.949 62.300 0.222 0.000 0.925 607 V CB 1.635 33.535 31.823 0.129 0.000 0.985 607 V HN 0.419 nan 8.190 nan 0.000 0.466 608 K N 3.523 123.979 120.400 0.095 0.000 2.412 608 K HA 0.223 4.541 4.320 -0.004 0.000 0.284 608 K C 0.633 177.165 176.600 -0.112 0.000 1.046 608 K CA -0.044 56.066 56.287 -0.294 0.000 0.999 608 K CB 0.920 33.238 32.500 -0.303 0.000 0.941 608 K HN 0.653 nan 8.250 nan 0.000 0.474 609 V N 2.026 121.887 119.914 -0.088 0.000 3.604 609 V HA 0.405 4.523 4.120 -0.004 0.000 0.277 609 V C -0.321 175.851 176.094 0.129 0.000 1.399 609 V CA -0.302 62.018 62.300 0.034 0.000 1.034 609 V CB -0.314 31.554 31.823 0.074 0.000 0.824 609 V HN 0.625 nan 8.190 nan 0.000 0.439 610 F N 0.868 120.757 119.950 -0.101 0.000 2.628 610 F HA 0.794 5.319 4.527 -0.004 0.000 0.309 610 F C 0.227 175.990 175.800 -0.061 0.000 1.108 610 F CA 0.271 58.236 58.000 -0.059 0.000 0.971 610 F CB 1.482 40.464 39.000 -0.029 0.000 1.279 610 F HN 0.598 nan 8.300 nan 0.000 0.441 611 G N 3.875 112.196 108.800 -0.799 0.000 2.796 611 G HA2 -0.090 3.868 3.960 -0.004 0.000 0.571 611 G HA3 -0.090 3.868 3.960 -0.004 0.000 0.571 611 G C -1.777 172.998 174.900 -0.207 0.000 1.370 611 G CA -0.746 44.062 45.100 -0.488 0.000 0.856 611 G HN 0.858 nan 8.290 nan 0.000 0.538 612 N N 0.336 119.002 118.700 -0.058 0.000 2.328 612 N HA 0.553 5.291 4.740 -0.004 0.000 0.299 612 N C -0.334 175.221 175.510 0.075 0.000 1.179 612 N CA -0.575 52.492 53.050 0.029 0.000 0.793 612 N CB 2.013 40.564 38.487 0.107 0.000 1.366 612 N HN 0.725 nan 8.380 nan 0.000 0.493 613 E N 0.466 120.559 120.200 -0.178 0.000 2.243 613 E HA 0.474 4.822 4.350 -0.004 0.000 0.260 613 E C -2.128 173.763 176.600 -1.181 0.000 0.985 613 E CA -1.550 54.420 56.400 -0.718 0.000 0.858 613 E CB 0.829 30.262 29.700 -0.445 0.000 1.210 613 E HN 0.282 nan 8.360 nan 0.000 0.411 614 P HA 0.000 nan 4.420 nan 0.000 0.216 614 P CA 0.000 62.203 63.100 -1.495 0.000 0.800 614 P CB 0.000 30.884 31.700 -1.359 0.000 0.726