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 3ai7_1_E DATA FIRST_RESID 2 DATA SEQUENCE TSPVIGTPWK KLNAPVSEEA LEGVDKYWRV ANYLSIGQIY LRSNPLMKEP DATA SEQUENCE FTREDVKHRL VGHWGTTPGL NFLIGHINRF IADHGQNTVI IMGPGHGGPA DATA SEQUENCE GTSQSYLDGT YTETFPKITK DEAGLQKFFR QFSYPGGIPS HFAPETPGSI DATA SEQUENCE HEGGELGYAL SHAYGAIMDN PSLFVPAIVG DGEAETGPLA TGWQSNKLVN DATA SEQUENCE PRTDGIVLPI LHLNGYKIAN PTILSRISDE ELHEFFHGMG YEPYEFVAGF DATA SEQUENCE DDEDHMSIHR RFAELWETIW DEICDIKATA QTDNVHRPFY PMLIFRTPKG DATA SEQUENCE WTCPKYIDGK KTEGSWRSHQ VPLASARDTE AHFEVLKNWL ESYKPEELFD DATA SEQUENCE ANGAVKDDVL AFMPKGELRI GANPNANGGV IRNDLKLPNL EDYEVKEVAE DATA SEQUENCE YGHGWGQLEA TRTLGAYTRD IIKNNPRDFR IFGPDETASN RLQASYEVTN DATA SEQUENCE KQWDAGYISD EVDEHMHVSG QVVEQLSEHQ MEGFLEAYLL TGRHGIWSSY DATA SEQUENCE ESFVHVIDSM LNQHAKWLEA TVREIPWRKP IASMNLLVSS HVWRQDHNGF DATA SEQUENCE SHQDPGVTSV LLNKCFHNDH VIGIYFATDA NMLLAIAEKC YKSTNKINAI DATA SEQUENCE IAGKQPAATW LTLDEARAEL EKGAAAWDWA STAKNNDEAE VVLAAAGDVP DATA SEQUENCE TQEIMAASDK LKELGVKFKV VNVADLLSLQ SAKENDEALT DEEFADIFTA DATA SEQUENCE DKPVLFAYHS YAHDVRGLIY DRPNHDNFNV HGYEEEGSTT TPYDMVRVNR DATA SEQUENCE IDRYELTAEA LRMIDADKYA DKIDELEKFR DEAFQFAVDN GYDHPDYTDW DATA SEQUENCE VYSGVNTDKK GAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.728 174.700 0.047 0.000 1.109 2 T CA 0.000 62.139 62.100 0.065 0.000 1.349 2 T CB 0.000 68.915 68.868 0.078 0.000 0.612 3 S N 2.936 118.664 115.700 0.048 0.000 2.562 3 S HA 0.505 4.974 4.470 -0.002 0.000 0.281 3 S C -1.868 172.763 174.600 0.053 0.000 1.333 3 S CA -0.583 57.642 58.200 0.043 0.000 1.052 3 S CB -0.025 63.212 63.200 0.061 0.000 0.884 3 S HN 0.777 nan 8.310 nan 0.000 0.506 4 P HA 0.268 nan 4.420 nan 0.000 0.276 4 P C -1.081 176.250 177.300 0.051 0.000 1.244 4 P CA -0.473 62.654 63.100 0.044 0.000 0.801 4 P CB 0.556 32.276 31.700 0.033 0.000 1.006 5 V N 3.769 123.712 119.914 0.048 0.000 2.383 5 V HA 0.288 4.407 4.120 -0.002 0.000 0.275 5 V C 0.596 176.704 176.094 0.025 0.000 1.036 5 V CA -0.235 62.094 62.300 0.049 0.000 0.889 5 V CB 0.406 32.263 31.823 0.056 0.000 0.985 5 V HN 0.394 nan 8.190 nan 0.000 0.459 6 I N 4.269 124.844 120.570 0.008 0.000 2.509 6 I HA 0.761 4.930 4.170 -0.002 0.000 0.293 6 I C 0.788 176.883 176.117 -0.037 0.000 1.020 6 I CA 0.034 61.328 61.300 -0.010 0.000 1.088 6 I CB 1.825 39.822 38.000 -0.006 0.000 1.267 6 I HN 0.843 nan 8.210 nan 0.000 0.430 7 G N 4.193 112.969 108.800 -0.038 0.000 2.598 7 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.244 7 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.244 7 G C -0.088 174.778 174.900 -0.056 0.000 1.302 7 G CA -0.068 44.997 45.100 -0.057 0.000 0.903 7 G HN 0.820 nan 8.290 nan 0.000 0.575 8 T N 0.013 114.527 114.554 -0.068 0.000 3.149 8 T HA 0.660 5.009 4.350 -0.002 0.000 0.373 8 T C -2.202 172.452 174.700 -0.076 0.000 1.364 8 T CA -0.843 61.231 62.100 -0.044 0.000 1.110 8 T CB 1.956 70.813 68.868 -0.019 0.000 1.127 8 T HN 0.642 nan 8.240 nan 0.000 0.576 9 P HA 0.208 nan 4.420 nan 0.000 0.277 9 P C -0.365 176.784 177.300 -0.252 0.000 1.240 9 P CA -0.288 62.532 63.100 -0.467 0.000 0.798 9 P CB 0.336 31.579 31.700 -0.762 0.000 0.979 10 W N -0.091 121.370 121.300 0.269 0.000 5.563 10 W HA -0.186 4.472 4.660 -0.002 0.000 0.396 10 W C -0.104 176.471 176.519 0.094 0.000 1.519 10 W CA -0.128 57.259 57.345 0.071 0.000 0.953 10 W CB -2.110 27.302 29.460 -0.080 0.000 2.691 10 W HN 0.216 nan 8.180 nan 0.000 1.444 11 K N 1.075 121.731 120.400 0.428 0.000 2.164 11 K HA 0.510 4.829 4.320 -0.002 0.000 0.258 11 K C 0.511 177.453 176.600 0.570 0.000 0.951 11 K CA -0.966 55.539 56.287 0.364 0.000 0.844 11 K CB 1.723 34.379 32.500 0.260 0.000 1.099 11 K HN 0.001 nan 8.250 nan 0.000 0.435 12 K N 1.336 121.944 120.400 0.348 0.000 2.126 12 K HA 0.131 4.450 4.320 -0.002 0.000 0.257 12 K C 1.132 177.927 176.600 0.324 0.000 1.007 12 K CA -0.520 56.001 56.287 0.389 0.000 0.928 12 K CB 0.781 33.397 32.500 0.193 0.000 1.013 12 K HN 0.262 nan 8.250 nan 0.000 0.473 13 L N 2.224 123.659 121.223 0.353 0.000 2.127 13 L HA -0.045 4.293 4.340 -0.002 0.000 0.203 13 L C -0.159 176.756 176.870 0.074 0.000 1.080 13 L CA 1.668 56.565 54.840 0.096 0.000 0.768 13 L CB -0.684 41.451 42.059 0.128 0.000 0.924 13 L HN 0.876 nan 8.230 nan 0.000 0.444 14 N N -1.366 117.401 118.700 0.111 0.000 2.741 14 N HA -0.164 4.574 4.740 -0.002 0.000 0.250 14 N C -0.256 175.286 175.510 0.054 0.000 1.115 14 N CA 0.399 53.494 53.050 0.074 0.000 0.724 14 N CB -1.329 37.191 38.487 0.055 0.000 1.090 14 N HN 0.552 nan 8.380 nan 0.000 0.558 15 A N -0.883 121.972 122.820 0.059 0.000 2.610 15 A HA 0.738 5.057 4.320 -0.002 0.000 0.291 15 A C -2.709 174.914 177.584 0.066 0.000 1.086 15 A CA -1.138 50.928 52.037 0.048 0.000 0.677 15 A CB 1.067 20.083 19.000 0.027 0.000 1.278 15 A HN -0.061 nan 8.150 nan 0.000 0.414 16 P HA 0.328 nan 4.420 nan 0.000 0.269 16 P C -0.303 177.040 177.300 0.071 0.000 1.215 16 P CA -0.263 62.883 63.100 0.077 0.000 0.780 16 P CB 0.419 32.160 31.700 0.068 0.000 0.898 17 V N 2.154 122.122 119.914 0.091 0.000 2.617 17 V HA -0.001 4.118 4.120 -0.002 0.000 0.304 17 V C 1.100 177.223 176.094 0.049 0.000 1.040 17 V CA 0.144 62.490 62.300 0.075 0.000 1.149 17 V CB -0.029 31.855 31.823 0.101 0.000 0.914 17 V HN 0.795 nan 8.190 nan 0.000 0.487 18 S N 3.146 118.861 115.700 0.025 0.000 2.579 18 S HA 0.072 4.541 4.470 -0.002 0.000 0.275 18 S C 1.036 175.644 174.600 0.013 0.000 1.345 18 S CA 0.123 58.334 58.200 0.018 0.000 1.031 18 S CB 1.104 64.307 63.200 0.005 0.000 0.892 18 S HN 0.794 nan 8.310 nan 0.000 0.529 19 E N 1.366 121.579 120.200 0.021 0.000 2.058 19 E HA -0.226 4.122 4.350 -0.002 0.000 0.194 19 E C 1.929 178.526 176.600 -0.005 0.000 0.997 19 E CA 2.143 58.556 56.400 0.022 0.000 0.801 19 E CB -0.464 29.256 29.700 0.033 0.000 0.746 19 E HN 0.919 nan 8.360 nan 0.000 0.450 20 E N -0.345 119.851 120.200 -0.007 0.000 2.085 20 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 20 E C 1.942 178.513 176.600 -0.049 0.000 0.994 20 E CA 1.294 57.684 56.400 -0.018 0.000 0.801 20 E CB -0.312 29.385 29.700 -0.005 0.000 0.743 20 E HN 0.301 nan 8.360 nan 0.000 0.453 21 A N 1.235 124.024 122.820 -0.052 0.000 1.902 21 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 21 A C 2.262 179.686 177.584 -0.267 0.000 1.181 21 A CA 1.253 53.229 52.037 -0.102 0.000 0.623 21 A CB -0.627 18.339 19.000 -0.056 0.000 0.818 21 A HN 0.343 nan 8.150 nan 0.000 0.443 22 L N -0.829 120.281 121.223 -0.188 0.000 2.056 22 L HA -0.199 4.140 4.340 -0.002 0.000 0.207 22 L C 2.556 179.258 176.870 -0.280 0.000 1.078 22 L CA 1.532 56.227 54.840 -0.241 0.000 0.749 22 L CB -0.712 41.320 42.059 -0.045 0.000 0.901 22 L HN 0.473 nan 8.230 nan 0.000 0.433 23 E N 0.272 120.381 120.200 -0.151 0.000 2.070 23 E HA -0.232 4.117 4.350 -0.002 0.000 0.197 23 E C 2.195 178.670 176.600 -0.207 0.000 1.004 23 E CA 1.286 57.616 56.400 -0.117 0.000 0.805 23 E CB -0.381 29.291 29.700 -0.046 0.000 0.744 23 E HN 0.585 nan 8.360 nan 0.000 0.451 24 G N 0.750 109.378 108.800 -0.287 0.000 2.446 24 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.217 24 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.217 24 G C 1.745 176.158 174.900 -0.812 0.000 1.168 24 G CA 0.896 45.775 45.100 -0.367 0.000 0.771 24 G HN 0.152 nan 8.290 nan 0.000 0.551 25 V N 1.123 120.345 119.914 -1.152 0.000 2.343 25 V HA -0.178 3.941 4.120 -0.002 0.000 0.247 25 V C 2.481 178.148 176.094 -0.712 0.000 1.051 25 V CA 2.349 63.910 62.300 -1.230 0.000 1.036 25 V CB -0.400 30.605 31.823 -1.362 0.000 0.654 25 V HN 0.422 nan 8.190 nan 0.000 0.451 26 D N -0.077 119.961 120.400 -0.603 0.000 2.117 26 D HA -0.164 4.474 4.640 -0.002 0.000 0.197 26 D C 2.223 178.560 176.300 0.061 0.000 0.987 26 D CA 1.285 55.202 54.000 -0.138 0.000 0.829 26 D CB -0.079 40.791 40.800 0.116 0.000 0.961 26 D HN 0.367 nan 8.370 nan 0.000 0.460 27 K N -1.010 119.370 120.400 -0.033 0.000 2.097 27 K HA -0.181 4.138 4.320 -0.002 0.000 0.206 27 K C 2.089 178.704 176.600 0.025 0.000 1.049 27 K CA 1.009 57.296 56.287 0.000 0.000 0.933 27 K CB -0.330 32.158 32.500 -0.021 0.000 0.717 27 K HN 0.304 nan 8.250 nan 0.000 0.442 28 Y N -0.078 120.202 120.300 -0.033 0.000 2.181 28 Y HA -0.278 4.271 4.550 -0.002 0.000 0.288 28 Y C 2.167 178.122 175.900 0.091 0.000 1.146 28 Y CA 1.425 59.561 58.100 0.059 0.000 1.164 28 Y CB -0.143 38.407 38.460 0.149 0.000 0.982 28 Y HN 0.186 nan 8.280 nan 0.000 0.515 29 W N 1.757 123.070 121.300 0.022 0.000 2.379 29 W HA -0.131 4.527 4.660 -0.002 0.000 0.307 29 W C 2.318 178.801 176.519 -0.060 0.000 1.200 29 W CA 2.039 59.394 57.345 0.017 0.000 1.297 29 W CB -0.650 28.838 29.460 0.047 0.000 1.140 29 W HN -0.011 nan 8.180 nan 0.000 0.507 30 R N -0.487 120.012 120.500 -0.000 0.000 2.080 30 R HA -0.179 4.160 4.340 -0.002 0.000 0.236 30 R C 2.275 178.454 176.300 -0.203 0.000 1.137 30 R CA 2.042 58.081 56.100 -0.101 0.000 0.943 30 R CB -1.369 28.968 30.300 0.062 0.000 0.846 30 R HN 0.132 nan 8.270 nan 0.000 0.431 31 V N 0.624 120.430 119.914 -0.180 0.000 2.548 31 V HA -0.139 3.980 4.120 -0.002 0.000 0.249 31 V C 2.103 178.092 176.094 -0.174 0.000 1.055 31 V CA 1.835 64.018 62.300 -0.195 0.000 1.065 31 V CB -0.169 31.465 31.823 -0.315 0.000 0.681 31 V HN 0.441 nan 8.190 nan 0.000 0.462 32 A N 0.119 122.748 122.820 -0.317 0.000 1.898 32 A HA -0.186 4.132 4.320 -0.002 0.000 0.216 32 A C 1.984 179.465 177.584 -0.171 0.000 1.181 32 A CA 1.797 53.672 52.037 -0.271 0.000 0.620 32 A CB -0.731 18.030 19.000 -0.398 0.000 0.819 32 A HN 0.622 nan 8.150 nan 0.000 0.442 33 N N -1.023 117.521 118.700 -0.260 0.000 2.061 33 N HA -0.222 4.517 4.740 -0.002 0.000 0.193 33 N C 1.581 176.778 175.510 -0.522 0.000 1.030 33 N CA 1.907 54.737 53.050 -0.366 0.000 0.856 33 N CB -0.768 37.271 38.487 -0.747 0.000 1.023 33 N HN 0.675 nan 8.380 nan 0.000 0.424 34 Y N 1.532 121.418 120.300 -0.691 0.000 2.128 34 Y HA -0.107 4.442 4.550 -0.002 0.000 0.284 34 Y C 2.204 177.911 175.900 -0.322 0.000 1.154 34 Y CA 1.441 59.254 58.100 -0.479 0.000 1.149 34 Y CB -0.327 38.025 38.460 -0.180 0.000 0.976 34 Y HN -0.011 nan 8.280 nan 0.000 0.505 35 L N -0.962 120.299 121.223 0.064 0.000 2.201 35 L HA -0.200 4.139 4.340 -0.002 0.000 0.212 35 L C 2.341 179.034 176.870 -0.294 0.000 1.105 35 L CA 1.220 56.115 54.840 0.092 0.000 0.775 35 L CB -0.563 41.706 42.059 0.351 0.000 0.913 35 L HN 0.140 nan 8.230 nan 0.000 0.440 36 S N 0.166 115.698 115.700 -0.281 0.000 2.377 36 S HA -0.026 4.443 4.470 -0.002 0.000 0.223 36 S C 1.975 176.327 174.600 -0.413 0.000 1.030 36 S CA 0.926 58.946 58.200 -0.301 0.000 0.970 36 S CB -0.167 62.986 63.200 -0.078 0.000 0.830 36 S HN 0.278 nan 8.310 nan 0.000 0.473 37 I N 2.033 122.291 120.570 -0.519 0.000 2.226 37 I HA -0.122 4.047 4.170 -0.002 0.000 0.245 37 I C 2.743 178.404 176.117 -0.760 0.000 1.100 37 I CA 1.162 62.037 61.300 -0.708 0.000 1.374 37 I CB -0.978 36.279 38.000 -1.238 0.000 1.057 37 I HN 0.362 nan 8.210 nan 0.000 0.413 38 G N 0.067 108.154 108.800 -1.189 0.000 2.469 38 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.219 38 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.219 38 G C 1.612 175.748 174.900 -1.273 0.000 1.150 38 G CA 0.671 44.664 45.100 -1.844 0.000 0.763 38 G HN 0.412 nan 8.290 nan 0.000 0.561 39 Q N -0.393 118.813 119.800 -0.990 0.000 2.079 39 Q HA 0.027 4.366 4.340 -0.002 0.000 0.200 39 Q C 2.671 178.476 176.000 -0.325 0.000 0.974 39 Q CA 0.965 56.416 55.803 -0.588 0.000 0.840 39 Q CB -0.146 28.053 28.738 -0.899 0.000 0.898 39 Q HN 0.570 nan 8.270 nan 0.000 0.430 40 I N -1.175 119.170 120.570 -0.374 0.000 2.286 40 I HA -0.233 3.935 4.170 -0.002 0.000 0.245 40 I C 1.377 177.323 176.117 -0.283 0.000 1.104 40 I CA 1.298 62.456 61.300 -0.237 0.000 1.397 40 I CB -0.088 37.763 38.000 -0.249 0.000 1.072 40 I HN 0.196 nan 8.210 nan 0.000 0.417 41 Y N 0.093 120.234 120.300 -0.265 0.000 2.507 41 Y HA 0.329 4.878 4.550 -0.002 0.000 0.263 41 Y C 0.729 176.563 175.900 -0.111 0.000 1.093 41 Y CA -0.010 57.983 58.100 -0.178 0.000 1.285 41 Y CB 0.537 38.851 38.460 -0.243 0.000 1.115 41 Y HN -0.099 nan 8.280 nan 0.000 0.533 42 L N 1.692 122.907 121.223 -0.012 0.000 2.305 42 L HA 0.381 4.720 4.340 -0.002 0.000 0.284 42 L C 0.882 177.795 176.870 0.071 0.000 1.013 42 L CA -0.432 54.450 54.840 0.071 0.000 0.819 42 L CB 1.813 43.932 42.059 0.100 0.000 1.227 42 L HN 0.182 nan 8.230 nan 0.000 0.417 43 R N 0.982 121.519 120.500 0.061 0.000 2.254 43 R HA 0.183 4.522 4.340 -0.002 0.000 0.195 43 R C 0.427 176.733 176.300 0.011 0.000 0.957 43 R CA 0.269 56.366 56.100 -0.006 0.000 1.024 43 R CB 0.260 30.576 30.300 0.025 0.000 0.952 43 R HN 0.623 nan 8.270 nan 0.000 0.484 44 S N -0.797 114.948 115.700 0.075 0.000 2.672 44 S HA 0.247 4.716 4.470 -0.002 0.000 0.271 44 S C -0.767 173.908 174.600 0.125 0.000 1.171 44 S CA -0.790 57.452 58.200 0.071 0.000 0.817 44 S CB 0.933 64.162 63.200 0.048 0.000 1.150 44 S HN 0.190 nan 8.310 nan 0.000 0.478 45 N N 1.417 120.164 118.700 0.079 0.000 2.681 45 N HA -0.079 4.660 4.740 -0.002 0.000 0.259 45 N C -1.719 173.811 175.510 0.033 0.000 1.066 45 N CA 0.805 53.902 53.050 0.079 0.000 0.717 45 N CB -0.496 38.113 38.487 0.203 0.000 0.885 45 N HN 0.521 nan 8.380 nan 0.000 0.547 46 P HA -0.069 nan 4.420 nan 0.000 0.223 46 P C 1.267 178.566 177.300 -0.002 0.000 1.151 46 P CA 0.830 63.959 63.100 0.048 0.000 0.787 46 P CB 0.249 31.734 31.700 -0.358 0.000 0.788 47 L N -1.048 120.075 121.223 -0.168 0.000 2.700 47 L HA 0.301 4.640 4.340 -0.002 0.000 0.234 47 L C 0.768 177.493 176.870 -0.241 0.000 1.156 47 L CA -0.158 54.544 54.840 -0.230 0.000 0.946 47 L CB -0.748 41.122 42.059 -0.315 0.000 1.216 47 L HN -0.158 nan 8.230 nan 0.000 0.493 48 M N -0.064 119.322 119.600 -0.356 0.000 2.297 48 M HA -0.190 4.289 4.480 -0.002 0.000 0.200 48 M C -0.404 175.805 176.300 -0.151 0.000 0.414 48 M CA 0.829 55.795 55.300 -0.556 0.000 0.449 48 M CB -1.464 30.628 32.600 -0.847 0.000 1.436 48 M HN 0.135 nan 8.290 nan 0.000 0.912 49 K N 1.410 121.775 120.400 -0.058 0.000 2.295 49 K HA 0.242 4.561 4.320 -0.002 0.000 0.270 49 K C 0.432 177.082 176.600 0.083 0.000 1.011 49 K CA -0.167 56.122 56.287 0.004 0.000 0.953 49 K CB 0.582 33.076 32.500 -0.010 0.000 0.956 49 K HN 0.204 nan 8.250 nan 0.000 0.477 50 E N 3.101 123.343 120.200 0.071 0.000 2.417 50 E HA 0.044 4.393 4.350 -0.002 0.000 0.261 50 E C -2.117 174.525 176.600 0.070 0.000 1.000 50 E CA -0.998 55.453 56.400 0.085 0.000 0.919 50 E CB 0.065 29.799 29.700 0.055 0.000 0.955 50 E HN 0.176 nan 8.360 nan 0.000 0.455 51 P HA 0.188 nan 4.420 nan 0.000 0.281 51 P C -1.279 176.130 177.300 0.182 0.000 1.252 51 P CA -0.215 62.946 63.100 0.101 0.000 0.778 51 P CB 0.345 32.071 31.700 0.043 0.000 0.895 52 F N 3.277 123.268 119.950 0.070 0.000 2.405 52 F HA 0.512 5.038 4.527 -0.002 0.000 0.355 52 F C 0.153 176.051 175.800 0.162 0.000 1.121 52 F CA -0.063 58.014 58.000 0.128 0.000 1.112 52 F CB 0.998 40.092 39.000 0.156 0.000 1.126 52 F HN 0.444 nan 8.300 nan 0.000 0.481 53 T N 2.311 116.665 114.554 -0.333 0.000 2.812 53 T HA 0.271 4.620 4.350 -0.002 0.000 0.294 53 T C 0.890 175.037 174.700 -0.922 0.000 1.159 53 T CA -0.865 60.810 62.100 -0.707 0.000 1.008 53 T CB 1.564 70.185 68.868 -0.412 0.000 1.289 53 T HN 0.772 nan 8.240 nan 0.000 0.514 54 R N 0.497 120.267 120.500 -1.217 0.000 2.249 54 R HA -0.097 4.242 4.340 -0.002 0.000 0.230 54 R C 1.638 177.754 176.300 -0.307 0.000 1.121 54 R CA 1.878 57.562 56.100 -0.693 0.000 0.997 54 R CB -0.521 29.455 30.300 -0.540 0.000 0.867 54 R HN 0.831 nan 8.270 nan 0.000 0.465 55 E N 0.886 120.922 120.200 -0.273 0.000 2.268 55 E HA -0.149 4.200 4.350 -0.002 0.000 0.195 55 E C 0.613 177.163 176.600 -0.084 0.000 0.995 55 E CA 1.009 57.318 56.400 -0.152 0.000 0.836 55 E CB 0.091 29.728 29.700 -0.105 0.000 0.763 55 E HN 0.385 nan 8.360 nan 0.000 0.491 56 D N 0.023 120.399 120.400 -0.040 0.000 2.355 56 D HA -0.005 4.634 4.640 -0.002 0.000 0.218 56 D C -0.072 176.295 176.300 0.112 0.000 1.004 56 D CA 0.246 54.301 54.000 0.093 0.000 0.880 56 D CB 0.549 41.517 40.800 0.279 0.000 0.911 56 D HN 0.007 nan 8.370 nan 0.000 0.528 57 V N 1.580 121.522 119.914 0.045 0.000 2.481 57 V HA 0.098 4.217 4.120 -0.002 0.000 0.286 57 V C 0.647 176.731 176.094 -0.017 0.000 1.042 57 V CA -0.912 61.438 62.300 0.082 0.000 0.928 57 V CB 1.740 33.642 31.823 0.132 0.000 0.986 57 V HN -0.134 nan 8.190 nan 0.000 0.462 58 K N 3.436 123.855 120.400 0.032 0.000 2.485 58 K HA 0.056 4.375 4.320 -0.002 0.000 0.277 58 K C 1.017 177.607 176.600 -0.018 0.000 0.990 58 K CA -0.198 56.110 56.287 0.035 0.000 0.994 58 K CB 0.352 32.915 32.500 0.105 0.000 0.906 58 K HN 0.644 nan 8.250 nan 0.000 0.488 59 H N 2.113 121.227 119.070 0.073 0.000 2.326 59 H HA -0.038 4.517 4.556 -0.002 0.000 0.301 59 H C 0.183 175.515 175.328 0.007 0.000 1.081 59 H CA 1.388 57.456 56.048 0.033 0.000 1.334 59 H CB 0.350 30.122 29.762 0.017 0.000 1.385 59 H HN 0.343 nan 8.280 nan 0.000 0.504 60 R N 0.921 121.491 120.500 0.117 0.000 2.445 60 R HA 0.377 4.716 4.340 -0.002 0.000 0.308 60 R C -0.513 175.777 176.300 -0.017 0.000 0.961 60 R CA -0.482 55.636 56.100 0.029 0.000 0.862 60 R CB 1.706 32.005 30.300 -0.002 0.000 1.144 60 R HN -0.000 nan 8.270 nan 0.000 0.447 61 L N 3.919 125.098 121.223 -0.074 0.000 2.295 61 L HA 0.327 4.666 4.340 -0.002 0.000 0.288 61 L C -0.517 176.270 176.870 -0.139 0.000 1.079 61 L CA -0.579 54.153 54.840 -0.180 0.000 0.830 61 L CB 0.711 42.579 42.059 -0.319 0.000 1.200 61 L HN 0.281 nan 8.230 nan 0.000 0.438 62 V N 2.616 122.473 119.914 -0.094 0.000 2.604 62 V HA 0.959 5.077 4.120 -0.002 0.000 0.305 62 V C 0.418 176.511 176.094 -0.000 0.000 1.043 62 V CA -0.341 61.923 62.300 -0.061 0.000 0.888 62 V CB 1.515 33.316 31.823 -0.036 0.000 0.995 62 V HN 0.990 nan 8.190 nan 0.000 0.429 63 G N 3.317 112.078 108.800 -0.066 0.000 2.355 63 G HA2 0.182 4.141 3.960 -0.002 0.000 0.619 63 G HA3 0.182 4.141 3.960 -0.002 0.000 0.619 63 G C -1.631 173.197 174.900 -0.120 0.000 1.337 63 G CA -0.941 44.248 45.100 0.149 0.000 0.993 63 G HN 0.871 nan 8.290 nan 0.000 0.599 64 H N -0.709 118.438 119.070 0.129 0.000 2.589 64 H HA 0.503 5.058 4.556 -0.002 0.000 0.351 64 H C 0.345 175.764 175.328 0.152 0.000 1.074 64 H CA -0.652 55.444 56.048 0.080 0.000 1.203 64 H CB 1.861 31.648 29.762 0.041 0.000 1.558 64 H HN 0.638 nan 8.280 nan 0.000 0.522 65 W N 3.283 124.651 121.300 0.114 0.000 2.588 65 W HA 0.065 4.723 4.660 -0.002 0.000 0.277 65 W C 1.271 177.902 176.519 0.187 0.000 1.221 65 W CA 1.074 58.513 57.345 0.157 0.000 1.355 65 W CB 0.066 29.680 29.460 0.255 0.000 1.083 65 W HN 0.821 nan 8.180 nan 0.000 0.581 66 G N 0.568 109.393 108.800 0.043 0.000 2.446 66 G HA2 -0.360 3.598 3.960 -0.002 0.000 0.217 66 G HA3 -0.360 3.598 3.960 -0.002 0.000 0.217 66 G C 1.442 176.290 174.900 -0.086 0.000 1.168 66 G CA 1.790 46.890 45.100 0.001 0.000 0.771 66 G HN 0.285 nan 8.290 nan 0.000 0.551 67 T N -0.105 114.450 114.554 0.002 0.000 2.962 67 T HA -0.047 4.302 4.350 -0.002 0.000 0.270 67 T C 2.519 177.264 174.700 0.075 0.000 1.088 67 T CA 2.009 64.156 62.100 0.079 0.000 1.127 67 T CB -0.347 68.547 68.868 0.043 0.000 0.883 67 T HN 0.286 nan 8.240 nan 0.000 0.493 68 T N 2.297 116.720 114.554 -0.219 0.000 2.851 68 T HA 0.027 4.376 4.350 -0.002 0.000 0.262 68 T C -0.696 173.867 174.700 -0.228 0.000 1.043 68 T CA 0.895 62.844 62.100 -0.251 0.000 1.140 68 T CB -0.799 67.863 68.868 -0.343 0.000 0.872 68 T HN 0.454 nan 8.240 nan 0.000 0.446 69 P HA 0.017 nan 4.420 nan 0.000 0.221 69 P C 1.723 179.276 177.300 0.422 0.000 1.150 69 P CA 0.965 64.089 63.100 0.041 0.000 0.800 69 P CB -0.391 31.314 31.700 0.008 0.000 0.787 70 G N 0.933 109.967 108.800 0.390 0.000 2.404 70 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.215 70 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.215 70 G C 1.688 176.679 174.900 0.152 0.000 1.174 70 G CA 0.435 45.832 45.100 0.494 0.000 0.780 70 G HN 0.199 nan 8.290 nan 0.000 0.537 71 L N 0.729 121.976 121.223 0.040 0.000 2.013 71 L HA -0.147 4.192 4.340 -0.002 0.000 0.212 71 L C 2.678 179.549 176.870 0.002 0.000 1.073 71 L CA 1.200 56.008 54.840 -0.054 0.000 0.753 71 L CB -0.605 41.421 42.059 -0.055 0.000 0.890 71 L HN 0.120 nan 8.230 nan 0.000 0.432 72 N N -0.090 118.688 118.700 0.130 0.000 2.223 72 N HA -0.204 4.535 4.740 -0.002 0.000 0.185 72 N C 1.721 177.339 175.510 0.180 0.000 1.016 72 N CA 1.306 54.512 53.050 0.261 0.000 0.863 72 N CB -0.361 38.356 38.487 0.384 0.000 0.983 72 N HN 0.303 nan 8.380 nan 0.000 0.429 73 F N 1.379 121.206 119.950 -0.205 0.000 2.146 73 F HA -0.007 4.519 4.527 -0.001 0.000 0.298 73 F C 2.031 177.542 175.800 -0.482 0.000 1.096 73 F CA 0.964 58.533 58.000 -0.718 0.000 1.275 73 F CB -0.138 38.313 39.000 -0.914 0.000 1.008 73 F HN -0.087 nan 8.300 nan 0.000 0.480 74 L N -0.045 121.013 121.223 -0.275 0.000 2.072 74 L HA -0.174 4.165 4.340 -0.002 0.000 0.205 74 L C 2.407 179.033 176.870 -0.408 0.000 1.079 74 L CA 1.179 55.744 54.840 -0.458 0.000 0.752 74 L CB -0.614 41.159 42.059 -0.477 0.000 0.906 74 L HN 0.172 nan 8.230 nan 0.000 0.436 75 I N -0.124 120.278 120.570 -0.281 0.000 2.226 75 I HA -0.221 3.948 4.170 -0.002 0.000 0.245 75 I C 2.657 178.486 176.117 -0.480 0.000 1.100 75 I CA 1.468 62.606 61.300 -0.270 0.000 1.374 75 I CB -0.935 37.000 38.000 -0.108 0.000 1.057 75 I HN 0.269 nan 8.210 nan 0.000 0.413 76 G N 0.087 108.550 108.800 -0.563 0.000 2.476 76 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.218 76 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.218 76 G C 1.586 176.078 174.900 -0.681 0.000 1.164 76 G CA 0.844 45.425 45.100 -0.864 0.000 0.768 76 G HN 0.386 nan 8.290 nan 0.000 0.560 77 H N 0.277 118.926 119.070 -0.701 0.000 2.353 77 H HA 0.028 4.583 4.556 -0.002 0.000 0.300 77 H C 2.796 177.757 175.328 -0.612 0.000 1.090 77 H CA 1.241 56.888 56.048 -0.669 0.000 1.327 77 H CB -0.051 29.257 29.762 -0.755 0.000 1.383 77 H HN 0.318 nan 8.280 nan 0.000 0.508 78 I N 0.939 121.204 120.570 -0.508 0.000 2.208 78 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 78 I C 2.317 178.366 176.117 -0.113 0.000 1.097 78 I CA 0.927 62.014 61.300 -0.354 0.000 1.363 78 I CB -0.180 37.655 38.000 -0.276 0.000 1.051 78 I HN 0.204 nan 8.210 nan 0.000 0.413 79 N N 0.430 119.008 118.700 -0.203 0.000 2.142 79 N HA -0.167 4.572 4.740 -0.002 0.000 0.186 79 N C 1.971 177.442 175.510 -0.065 0.000 1.023 79 N CA 0.871 53.819 53.050 -0.170 0.000 0.852 79 N CB -0.304 37.991 38.487 -0.320 0.000 0.998 79 N HN 0.221 nan 8.380 nan 0.000 0.424 80 R N 0.672 121.196 120.500 0.041 0.000 2.073 80 R HA -0.124 4.215 4.340 -0.002 0.000 0.234 80 R C 2.137 178.462 176.300 0.043 0.000 1.134 80 R CA 0.956 57.127 56.100 0.117 0.000 0.952 80 R CB -0.967 29.283 30.300 -0.084 0.000 0.850 80 R HN 0.274 nan 8.270 nan 0.000 0.433 81 F N 1.214 121.083 119.950 -0.135 0.000 2.102 81 F HA -0.156 4.370 4.527 -0.002 0.000 0.298 81 F C 2.109 177.907 175.800 -0.004 0.000 1.105 81 F CA 1.529 59.497 58.000 -0.053 0.000 1.239 81 F CB -0.466 38.411 39.000 -0.205 0.000 0.991 81 F HN -0.050 nan 8.300 nan 0.000 0.474 82 I N 0.799 121.173 120.570 -0.328 0.000 2.208 82 I HA -0.345 3.824 4.170 -0.002 0.000 0.245 82 I C 2.766 178.702 176.117 -0.301 0.000 1.097 82 I CA 1.397 62.465 61.300 -0.388 0.000 1.363 82 I CB -1.109 36.806 38.000 -0.141 0.000 1.051 82 I HN 0.329 nan 8.210 nan 0.000 0.413 83 A N 0.239 122.937 122.820 -0.203 0.000 1.898 83 A HA -0.228 4.091 4.320 -0.002 0.000 0.216 83 A C 1.958 179.439 177.584 -0.173 0.000 1.181 83 A CA 2.035 53.970 52.037 -0.170 0.000 0.620 83 A CB -0.541 18.373 19.000 -0.143 0.000 0.819 83 A HN 0.321 nan 8.150 nan 0.000 0.442 84 D N -1.474 118.821 120.400 -0.175 0.000 2.224 84 D HA -0.055 4.584 4.640 -0.002 0.000 0.205 84 D C 1.522 177.592 176.300 -0.383 0.000 0.965 84 D CA 0.969 54.829 54.000 -0.233 0.000 0.852 84 D CB -0.182 40.493 40.800 -0.208 0.000 0.947 84 D HN 0.642 nan 8.370 nan 0.000 0.494 85 H N -1.488 117.359 119.070 -0.370 0.000 2.750 85 H HA 0.240 4.795 4.556 -0.002 0.000 0.263 85 H C 1.112 176.271 175.328 -0.281 0.000 0.964 85 H CA 0.717 56.550 56.048 -0.359 0.000 1.205 85 H CB 1.035 30.374 29.762 -0.705 0.000 1.454 85 H HN 0.087 nan 8.280 nan 0.000 0.503 86 G N 2.336 111.021 108.800 -0.191 0.000 2.273 86 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.280 86 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.280 86 G C 0.114 174.906 174.900 -0.179 0.000 1.047 86 G CA 0.498 45.504 45.100 -0.156 0.000 0.869 86 G HN 0.378 nan 8.290 nan 0.000 0.502 87 Q N 0.142 119.773 119.800 -0.282 0.000 2.279 87 Q HA 0.465 4.804 4.340 -0.002 0.000 0.256 87 Q C 0.397 176.320 176.000 -0.128 0.000 0.937 87 Q CA -0.809 54.839 55.803 -0.258 0.000 0.933 87 Q CB 0.618 29.102 28.738 -0.422 0.000 1.189 87 Q HN 0.327 nan 8.270 nan 0.000 0.417 88 N N 2.866 121.502 118.700 -0.106 0.000 2.429 88 N HA 0.063 4.802 4.740 -0.002 0.000 0.271 88 N C -1.446 174.102 175.510 0.063 0.000 1.272 88 N CA 0.469 53.501 53.050 -0.031 0.000 0.921 88 N CB 0.284 38.744 38.487 -0.045 0.000 1.128 88 N HN 0.550 nan 8.380 nan 0.000 0.481 89 T N 2.462 117.061 114.554 0.076 0.000 2.991 89 T HA 0.394 4.742 4.350 -0.002 0.000 0.303 89 T C -0.767 173.963 174.700 0.050 0.000 1.015 89 T CA -0.563 61.601 62.100 0.106 0.000 1.007 89 T CB 1.371 70.341 68.868 0.171 0.000 1.034 89 T HN 0.118 nan 8.240 nan 0.000 0.446 90 V N 4.559 124.485 119.914 0.020 0.000 2.604 90 V HA 0.609 4.728 4.120 -0.002 0.000 0.305 90 V C 0.039 176.124 176.094 -0.015 0.000 1.043 90 V CA -1.048 61.271 62.300 0.031 0.000 0.888 90 V CB 1.718 33.566 31.823 0.042 0.000 0.995 90 V HN 0.869 nan 8.190 nan 0.000 0.429 91 I N 2.836 123.429 120.570 0.040 0.000 2.566 91 I HA 0.631 4.800 4.170 -0.002 0.000 0.303 91 I C -0.941 175.221 176.117 0.075 0.000 0.983 91 I CA -0.468 60.842 61.300 0.016 0.000 1.235 91 I CB 1.478 39.496 38.000 0.031 0.000 1.386 91 I HN 0.276 nan 8.210 nan 0.000 0.494 92 I N 5.985 126.561 120.570 0.010 0.000 2.378 92 I HA 0.312 4.481 4.170 -0.002 0.000 0.291 92 I C -0.122 176.030 176.117 0.059 0.000 0.992 92 I CA -0.665 60.647 61.300 0.019 0.000 1.154 92 I CB 1.561 39.466 38.000 -0.159 0.000 1.315 92 I HN 0.785 nan 8.210 nan 0.000 0.448 93 M N 5.858 125.599 119.600 0.235 0.000 2.664 93 M HA 0.276 4.755 4.480 -0.002 0.000 0.332 93 M C 1.147 177.617 176.300 0.284 0.000 1.354 93 M CA -0.180 55.244 55.300 0.208 0.000 1.399 93 M CB 0.501 33.216 32.600 0.191 0.000 1.224 93 M HN 0.796 nan 8.290 nan 0.000 0.479 94 G N 4.301 113.194 108.800 0.154 0.000 2.459 94 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.217 94 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.217 94 G C -1.805 173.247 174.900 0.253 0.000 1.183 94 G CA 0.243 45.462 45.100 0.199 0.000 0.776 94 G HN 0.537 nan 8.290 nan 0.000 0.552 95 P HA 0.250 nan 4.420 nan 0.000 0.237 95 P C 0.774 177.982 177.300 -0.153 0.000 1.788 95 P CA 0.053 63.152 63.100 -0.001 0.000 1.061 95 P CB 0.498 32.172 31.700 -0.045 0.000 1.967 96 G N 1.402 110.310 108.800 0.179 0.000 2.744 96 G HA2 -0.167 3.791 3.960 -0.002 0.000 0.211 96 G HA3 -0.167 3.791 3.960 -0.002 0.000 0.211 96 G C 1.134 176.183 174.900 0.249 0.000 1.143 96 G CA 0.043 45.327 45.100 0.306 0.000 0.788 96 G HN 0.517 nan 8.290 nan 0.000 0.534 97 H N -0.113 119.020 119.070 0.105 0.000 2.561 97 H HA 0.043 4.598 4.556 -0.002 0.000 0.278 97 H C 1.936 177.188 175.328 -0.126 0.000 1.014 97 H CA 0.537 56.373 56.048 -0.353 0.000 1.211 97 H CB -0.444 28.963 29.762 -0.592 0.000 1.365 97 H HN 0.178 nan 8.280 nan 0.000 0.594 98 G N 0.957 109.575 108.800 -0.303 0.000 3.332 98 G HA2 0.119 4.078 3.960 -0.002 0.000 0.242 98 G HA3 0.119 4.078 3.960 -0.002 0.000 0.242 98 G C 1.582 176.450 174.900 -0.053 0.000 1.276 98 G CA 0.086 45.095 45.100 -0.152 0.000 0.988 98 G HN 0.538 nan 8.290 nan 0.000 0.517 99 G N 2.039 110.887 108.800 0.079 0.000 2.597 99 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.222 99 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.222 99 G C 0.088 175.056 174.900 0.115 0.000 1.135 99 G CA 1.234 46.473 45.100 0.233 0.000 0.759 99 G HN 0.459 nan 8.290 nan 0.000 0.595 100 P HA 0.047 nan 4.420 nan 0.000 0.222 100 P C 1.928 179.143 177.300 -0.142 0.000 1.147 100 P CA 1.580 64.482 63.100 -0.330 0.000 0.790 100 P CB -0.132 31.212 31.700 -0.593 0.000 0.780 101 A N -0.104 122.650 122.820 -0.110 0.000 1.969 101 A HA 0.028 4.347 4.320 -0.002 0.000 0.218 101 A C 2.406 179.943 177.584 -0.077 0.000 1.169 101 A CA 1.834 53.826 52.037 -0.075 0.000 0.635 101 A CB -1.637 17.307 19.000 -0.092 0.000 0.810 101 A HN 0.294 nan 8.150 nan 0.000 0.445 102 G N -0.664 108.030 108.800 -0.178 0.000 2.426 102 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.214 102 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.214 102 G C 1.719 176.746 174.900 0.211 0.000 1.156 102 G CA 1.630 46.583 45.100 -0.246 0.000 0.802 102 G HN 0.613 nan 8.290 nan 0.000 0.534 103 T N -0.826 113.886 114.554 0.263 0.000 2.788 103 T HA -0.093 4.256 4.350 -0.002 0.000 0.268 103 T C 2.481 177.383 174.700 0.336 0.000 1.044 103 T CA 1.874 64.162 62.100 0.313 0.000 1.139 103 T CB -0.427 68.575 68.868 0.224 0.000 0.867 103 T HN 0.103 nan 8.240 nan 0.000 0.454 104 S N 1.035 116.891 115.700 0.260 0.000 2.368 104 S HA -0.139 4.330 4.470 -0.002 0.000 0.225 104 S C 2.182 176.894 174.600 0.187 0.000 1.030 104 S CA 1.112 59.452 58.200 0.234 0.000 0.999 104 S CB -0.513 62.745 63.200 0.098 0.000 0.844 104 S HN 0.456 nan 8.310 nan 0.000 0.459 105 Q N 1.319 121.242 119.800 0.206 0.000 2.096 105 Q HA -0.112 4.227 4.340 -0.002 0.000 0.204 105 Q C 2.367 178.502 176.000 0.225 0.000 0.982 105 Q CA 1.756 57.717 55.803 0.263 0.000 0.850 105 Q CB -0.707 28.158 28.738 0.213 0.000 0.901 105 Q HN 0.508 nan 8.270 nan 0.000 0.422 106 S N -0.705 115.154 115.700 0.265 0.000 2.383 106 S HA -0.162 4.307 4.470 -0.002 0.000 0.227 106 S C 1.869 176.612 174.600 0.239 0.000 1.026 106 S CA 1.012 59.388 58.200 0.293 0.000 0.981 106 S CB -0.409 63.083 63.200 0.487 0.000 0.818 106 S HN 0.562 nan 8.310 nan 0.000 0.472 107 Y N 1.612 121.906 120.300 -0.010 0.000 2.200 107 Y HA 0.098 4.647 4.550 -0.002 0.000 0.290 107 Y C 1.819 177.643 175.900 -0.126 0.000 1.137 107 Y CA 1.555 59.529 58.100 -0.210 0.000 1.163 107 Y CB -0.221 37.778 38.460 -0.769 0.000 0.988 107 Y HN 0.254 nan 8.280 nan 0.000 0.518 108 L N 0.026 121.243 121.223 -0.009 0.000 2.240 108 L HA -0.090 4.249 4.340 -0.002 0.000 0.211 108 L C 1.818 178.646 176.870 -0.069 0.000 1.106 108 L CA 1.306 56.107 54.840 -0.065 0.000 0.793 108 L CB -0.518 41.563 42.059 0.037 0.000 0.927 108 L HN 0.276 nan 8.230 nan 0.000 0.446 109 D N -0.643 119.749 120.400 -0.013 0.000 2.355 109 D HA 0.012 4.651 4.640 -0.002 0.000 0.218 109 D C 1.517 177.763 176.300 -0.090 0.000 1.004 109 D CA 0.913 54.880 54.000 -0.056 0.000 0.880 109 D CB 0.356 41.141 40.800 -0.026 0.000 0.911 109 D HN 0.240 nan 8.370 nan 0.000 0.528 110 G N -0.323 108.411 108.800 -0.110 0.000 2.213 110 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.226 110 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.226 110 G C 1.274 176.119 174.900 -0.090 0.000 0.992 110 G CA 0.782 45.801 45.100 -0.136 0.000 0.632 110 G HN 0.555 nan 8.290 nan 0.000 0.511 111 T N -2.373 112.156 114.554 -0.042 0.000 2.951 111 T HA 0.009 4.358 4.350 -0.002 0.000 0.268 111 T C 1.869 176.524 174.700 -0.075 0.000 1.073 111 T CA 1.664 63.721 62.100 -0.071 0.000 1.134 111 T CB -0.163 68.676 68.868 -0.049 0.000 0.884 111 T HN 0.455 nan 8.240 nan 0.000 0.479 112 Y N 2.353 122.633 120.300 -0.033 0.000 2.145 112 Y HA -0.099 4.450 4.550 -0.002 0.000 0.286 112 Y C 2.799 178.748 175.900 0.082 0.000 1.145 112 Y CA 1.896 60.057 58.100 0.102 0.000 1.148 112 Y CB -0.595 37.989 38.460 0.207 0.000 0.981 112 Y HN 0.193 nan 8.280 nan 0.000 0.507 113 T N -0.149 114.445 114.554 0.066 0.000 2.904 113 T HA -0.139 4.210 4.350 -0.002 0.000 0.267 113 T C 1.521 176.166 174.700 -0.092 0.000 1.059 113 T CA 1.589 63.696 62.100 0.012 0.000 1.137 113 T CB -0.175 68.657 68.868 -0.059 0.000 0.879 113 T HN 0.427 nan 8.240 nan 0.000 0.467 114 E N 0.585 120.694 120.200 -0.152 0.000 2.150 114 E HA -0.067 4.282 4.350 -0.002 0.000 0.193 114 E C 2.129 178.538 176.600 -0.319 0.000 0.985 114 E CA 1.211 57.495 56.400 -0.193 0.000 0.814 114 E CB -0.062 29.531 29.700 -0.180 0.000 0.752 114 E HN 0.393 nan 8.360 nan 0.000 0.466 115 T N -0.101 114.153 114.554 -0.500 0.000 3.009 115 T HA 0.051 4.400 4.350 -0.002 0.000 0.258 115 T C 0.058 174.156 174.700 -1.003 0.000 1.063 115 T CA 0.573 62.110 62.100 -0.937 0.000 1.139 115 T CB 0.137 68.099 68.868 -1.509 0.000 0.890 115 T HN -0.040 nan 8.240 nan 0.000 0.471 116 F N 1.392 121.126 119.950 -0.359 0.000 2.691 116 F HA 0.377 4.903 4.527 -0.002 0.000 0.371 116 F C -2.237 173.502 175.800 -0.102 0.000 1.159 116 F CA -2.744 55.119 58.000 -0.227 0.000 1.174 116 F CB 1.810 40.612 39.000 -0.330 0.000 1.419 116 F HN -0.106 nan 8.300 nan 0.000 0.514 117 P HA -0.105 nan 4.420 nan 0.000 0.223 117 P C 1.319 178.665 177.300 0.077 0.000 1.151 117 P CA 1.016 64.136 63.100 0.033 0.000 0.787 117 P CB 0.378 32.074 31.700 -0.007 0.000 0.788 118 K N -0.393 120.075 120.400 0.114 0.000 2.209 118 K HA -0.019 4.299 4.320 -0.002 0.000 0.204 118 K C 0.899 177.584 176.600 0.142 0.000 1.048 118 K CA 0.754 57.109 56.287 0.113 0.000 0.940 118 K CB -0.465 32.105 32.500 0.117 0.000 0.729 118 K HN 0.120 nan 8.250 nan 0.000 0.451 119 I N 2.845 123.543 120.570 0.212 0.000 2.213 119 I HA 0.028 4.197 4.170 -0.002 0.000 0.295 119 I C 0.226 176.498 176.117 0.259 0.000 1.172 119 I CA -0.034 61.437 61.300 0.286 0.000 1.443 119 I CB -1.495 36.797 38.000 0.487 0.000 1.491 119 I HN 0.082 nan 8.210 nan 0.000 0.652 120 T N 1.647 116.299 114.554 0.162 0.000 2.816 120 T HA 0.301 4.650 4.350 -0.002 0.000 0.282 120 T C 0.527 175.288 174.700 0.100 0.000 0.993 120 T CA -0.776 61.378 62.100 0.090 0.000 0.994 120 T CB 1.324 70.219 68.868 0.046 0.000 1.025 120 T HN 0.308 nan 8.240 nan 0.000 0.529 121 K N 2.326 122.716 120.400 -0.017 0.000 2.758 121 K HA 0.300 4.619 4.320 -0.002 0.000 0.250 121 K C -0.815 175.789 176.600 0.006 0.000 1.268 121 K CA -0.341 55.901 56.287 -0.075 0.000 1.228 121 K CB -0.355 32.028 32.500 -0.194 0.000 1.715 121 K HN 0.755 nan 8.250 nan 0.000 0.334 122 D N -2.977 117.458 120.400 0.058 0.000 2.738 122 D HA -0.058 4.581 4.640 -0.002 0.000 0.308 122 D C 0.489 176.787 176.300 -0.002 0.000 1.311 122 D CA -0.829 53.187 54.000 0.026 0.000 0.799 122 D CB 0.359 41.161 40.800 0.004 0.000 1.332 122 D HN -0.023 nan 8.370 nan 0.000 0.441 123 E N -0.358 119.814 120.200 -0.046 0.000 2.085 123 E HA -0.234 4.115 4.350 -0.002 0.000 0.194 123 E C 1.821 178.359 176.600 -0.103 0.000 0.994 123 E CA 1.620 57.955 56.400 -0.109 0.000 0.801 123 E CB -0.202 29.435 29.700 -0.106 0.000 0.743 123 E HN 0.485 nan 8.360 nan 0.000 0.453 124 A N 0.595 123.382 122.820 -0.055 0.000 1.898 124 A HA -0.065 4.254 4.320 -0.002 0.000 0.216 124 A C 2.393 179.959 177.584 -0.030 0.000 1.181 124 A CA 1.621 53.634 52.037 -0.041 0.000 0.620 124 A CB -1.018 17.973 19.000 -0.016 0.000 0.819 124 A HN 0.440 nan 8.150 nan 0.000 0.442 125 G N -0.303 108.500 108.800 0.004 0.000 2.418 125 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.217 125 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.217 125 G C 1.564 176.452 174.900 -0.020 0.000 1.158 125 G CA 0.910 46.042 45.100 0.054 0.000 0.771 125 G HN 0.392 nan 8.290 nan 0.000 0.545 126 L N 0.026 121.177 121.223 -0.121 0.000 2.013 126 L HA -0.173 4.166 4.340 -0.002 0.000 0.212 126 L C 3.087 179.649 176.870 -0.514 0.000 1.073 126 L CA 1.783 56.372 54.840 -0.419 0.000 0.753 126 L CB -0.334 41.403 42.059 -0.536 0.000 0.890 126 L HN 0.330 nan 8.230 nan 0.000 0.432 127 Q N 0.694 120.302 119.800 -0.321 0.000 2.096 127 Q HA -0.247 4.092 4.340 -0.002 0.000 0.204 127 Q C 2.054 177.972 176.000 -0.137 0.000 0.982 127 Q CA 1.759 57.422 55.803 -0.233 0.000 0.850 127 Q CB 0.008 28.671 28.738 -0.125 0.000 0.901 127 Q HN 0.502 nan 8.270 nan 0.000 0.422 128 K N -0.485 119.867 120.400 -0.079 0.000 2.057 128 K HA -0.137 4.182 4.320 -0.002 0.000 0.207 128 K C 2.080 178.684 176.600 0.006 0.000 1.049 128 K CA 1.226 57.497 56.287 -0.026 0.000 0.931 128 K CB -0.372 32.147 32.500 0.031 0.000 0.714 128 K HN 0.131 nan 8.250 nan 0.000 0.440 129 F N 1.340 121.184 119.950 -0.177 0.000 2.095 129 F HA -0.228 4.298 4.527 -0.002 0.000 0.298 129 F C 1.839 177.626 175.800 -0.022 0.000 1.104 129 F CA 1.407 59.289 58.000 -0.197 0.000 1.232 129 F CB -0.187 38.514 39.000 -0.499 0.000 0.987 129 F HN -0.108 nan 8.300 nan 0.000 0.475 130 F N 0.517 120.328 119.950 -0.232 0.000 2.146 130 F HA -0.060 4.466 4.527 -0.002 0.000 0.298 130 F C 2.726 178.375 175.800 -0.252 0.000 1.096 130 F CA 1.478 59.299 58.000 -0.298 0.000 1.275 130 F CB -1.513 37.373 39.000 -0.190 0.000 1.008 130 F HN -0.022 nan 8.300 nan 0.000 0.480 131 R N 0.933 121.395 120.500 -0.062 0.000 2.075 131 R HA -0.190 4.149 4.340 -0.002 0.000 0.232 131 R C 2.185 178.256 176.300 -0.383 0.000 1.126 131 R CA 1.724 57.632 56.100 -0.320 0.000 0.963 131 R CB -0.283 29.761 30.300 -0.426 0.000 0.858 131 R HN 0.492 nan 8.270 nan 0.000 0.435 132 Q N -0.748 118.943 119.800 -0.182 0.000 2.369 132 Q HA -0.110 4.229 4.340 -0.002 0.000 0.206 132 Q C 0.263 176.264 176.000 0.002 0.000 0.963 132 Q CA 0.380 56.142 55.803 -0.068 0.000 0.894 132 Q CB -0.327 28.399 28.738 -0.019 0.000 0.965 132 Q HN 0.214 nan 8.270 nan 0.000 0.475 133 F N 2.674 122.529 119.950 -0.157 0.000 2.571 133 F HA 0.042 4.568 4.527 -0.002 0.000 0.384 133 F C 0.300 176.096 175.800 -0.008 0.000 1.058 133 F CA 0.649 58.568 58.000 -0.134 0.000 1.200 133 F CB 0.350 39.198 39.000 -0.253 0.000 1.077 133 F HN 0.164 nan 8.300 nan 0.000 0.558 134 S N 3.420 118.663 115.700 -0.762 0.000 3.473 134 S HA -0.307 4.162 4.470 -0.002 0.000 0.339 134 S C -0.467 174.078 174.600 -0.091 0.000 1.148 134 S CA 0.940 58.855 58.200 -0.476 0.000 0.969 134 S CB -2.129 60.771 63.200 -0.499 0.000 0.936 134 S HN 0.789 nan 8.310 nan 0.000 0.530 135 Y N 0.995 121.197 120.300 -0.162 0.000 2.487 135 Y HA 0.508 5.057 4.550 -0.002 0.000 0.337 135 Y C -2.349 173.514 175.900 -0.062 0.000 1.076 135 Y CA -2.433 55.622 58.100 -0.075 0.000 1.115 135 Y CB 1.142 39.580 38.460 -0.037 0.000 1.235 135 Y HN -0.054 nan 8.280 nan 0.000 0.468 136 P HA 0.109 nan 4.420 nan 0.000 0.264 136 P C 0.345 177.671 177.300 0.043 0.000 1.193 136 P CA 1.563 64.606 63.100 -0.095 0.000 0.763 136 P CB 0.479 32.071 31.700 -0.181 0.000 0.810 137 G N 1.775 110.594 108.800 0.033 0.000 2.189 137 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.267 137 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.267 137 G C 0.697 175.641 174.900 0.073 0.000 0.975 137 G CA 0.310 45.445 45.100 0.058 0.000 0.644 137 G HN 0.868 nan 8.290 nan 0.000 0.537 138 G N -0.148 108.703 108.800 0.085 0.000 3.182 138 G HA2 0.768 4.727 3.960 -0.002 0.000 0.167 138 G HA3 0.768 4.727 3.960 -0.002 0.000 0.167 138 G C 0.348 175.249 174.900 0.003 0.000 1.537 138 G CA -0.098 45.037 45.100 0.059 0.000 1.046 138 G HN 1.381 nan 8.290 nan 0.000 0.580 139 I N -2.133 118.414 120.570 -0.038 0.000 3.067 139 I HA 0.660 4.828 4.170 -0.002 0.000 0.312 139 I C -2.855 173.175 176.117 -0.146 0.000 1.073 139 I CA -2.590 58.679 61.300 -0.052 0.000 1.016 139 I CB 2.202 40.204 38.000 0.003 0.000 1.227 139 I HN 0.152 nan 8.210 nan 0.000 0.456 140 P HA 0.180 nan 4.420 nan 0.000 0.274 140 P C 0.256 177.378 177.300 -0.297 0.000 1.260 140 P CA -0.393 62.641 63.100 -0.110 0.000 0.793 140 P CB 0.669 32.390 31.700 0.035 0.000 1.048 141 S N -2.011 113.567 115.700 -0.204 0.000 2.446 141 S HA -0.025 4.443 4.470 -0.002 0.000 0.225 141 S C 0.613 175.224 174.600 0.018 0.000 1.016 141 S CA 0.670 58.712 58.200 -0.262 0.000 0.943 141 S CB -0.936 62.211 63.200 -0.089 0.000 0.786 141 S HN 0.453 nan 8.310 nan 0.000 0.508 142 H N -0.146 119.035 119.070 0.186 0.000 2.497 142 H HA 0.450 5.005 4.556 -0.002 0.000 0.331 142 H C -0.691 174.868 175.328 0.386 0.000 1.457 142 H CA -1.002 55.212 56.048 0.278 0.000 1.459 142 H CB 0.093 29.993 29.762 0.230 0.000 1.728 142 H HN 0.174 nan 8.280 nan 0.000 0.691 143 F N 1.695 121.846 119.950 0.336 0.000 2.661 143 F HA 0.405 4.931 4.527 -0.002 0.000 0.356 143 F C 0.194 176.189 175.800 0.325 0.000 1.244 143 F CA -1.081 57.104 58.000 0.309 0.000 1.290 143 F CB -1.645 37.531 39.000 0.294 0.000 1.677 143 F HN 0.490 nan 8.300 nan 0.000 0.649 144 A N 5.634 128.627 122.820 0.290 0.000 2.246 144 A HA 0.518 4.837 4.320 -0.002 0.000 0.291 144 A C -1.452 176.041 177.584 -0.153 0.000 1.103 144 A CA -1.188 50.910 52.037 0.101 0.000 0.844 144 A CB 0.024 19.079 19.000 0.091 0.000 1.136 144 A HN 0.377 nan 8.150 nan 0.000 0.500 145 P HA -0.157 nan 4.420 nan 0.000 0.222 145 P C 0.607 177.689 177.300 -0.363 0.000 1.147 145 P CA 1.192 63.692 63.100 -1.000 0.000 0.790 145 P CB 0.033 30.641 31.700 -1.819 0.000 0.780 146 E N -0.138 120.004 120.200 -0.096 0.000 2.516 146 E HA -0.008 4.341 4.350 -0.002 0.000 0.199 146 E C -0.044 176.924 176.600 0.612 0.000 1.069 146 E CA 0.515 57.090 56.400 0.293 0.000 0.876 146 E CB -1.107 28.754 29.700 0.269 0.000 0.843 146 E HN 0.187 nan 8.360 nan 0.000 0.530 147 T N 3.035 117.852 114.554 0.439 0.000 2.767 147 T HA 0.376 4.725 4.350 -0.002 0.000 0.284 147 T C -2.587 172.404 174.700 0.486 0.000 0.973 147 T CA -1.852 60.577 62.100 0.549 0.000 0.996 147 T CB 1.596 70.784 68.868 0.534 0.000 0.927 147 T HN -0.108 nan 8.240 nan 0.000 0.456 148 P HA 0.270 nan 4.420 nan 0.000 0.264 148 P C 1.102 178.585 177.300 0.304 0.000 1.193 148 P CA 0.905 64.139 63.100 0.224 0.000 0.763 148 P CB 0.365 32.069 31.700 0.006 0.000 0.810 149 G N 1.658 110.614 108.800 0.259 0.000 2.213 149 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.226 149 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.226 149 G C 0.397 175.413 174.900 0.193 0.000 0.992 149 G CA 0.117 45.389 45.100 0.286 0.000 0.632 149 G HN 0.745 nan 8.290 nan 0.000 0.511 150 S N 0.435 116.070 115.700 -0.109 0.000 2.499 150 S HA 0.652 5.121 4.470 -0.002 0.000 0.279 150 S C 1.094 175.780 174.600 0.143 0.000 1.219 150 S CA -0.081 57.878 58.200 -0.402 0.000 1.062 150 S CB 0.571 63.191 63.200 -0.967 0.000 0.978 150 S HN 1.121 nan 8.310 nan 0.000 0.489 151 I N 1.989 122.639 120.570 0.134 0.000 3.966 151 I HA 0.529 4.698 4.170 -0.002 0.000 0.324 151 I C -0.312 175.683 176.117 -0.203 0.000 1.517 151 I CA -0.579 60.732 61.300 0.019 0.000 1.117 151 I CB 0.019 37.995 38.000 -0.040 0.000 1.190 151 I HN 0.697 nan 8.210 nan 0.000 0.466 152 H N 0.327 119.358 119.070 -0.065 0.000 3.184 152 H HA 0.223 4.778 4.556 -0.002 0.000 0.317 152 H C -0.118 175.388 175.328 0.296 0.000 1.065 152 H CA -0.394 55.677 56.048 0.037 0.000 1.462 152 H CB 1.615 31.474 29.762 0.161 0.000 2.037 152 H HN 0.210 nan 8.280 nan 0.000 0.431 153 E N 3.496 123.759 120.200 0.104 0.000 2.190 153 E HA 0.121 4.470 4.350 -0.002 0.000 0.191 153 E C 1.196 177.925 176.600 0.214 0.000 0.978 153 E CA 0.759 57.330 56.400 0.286 0.000 0.839 153 E CB 0.014 29.910 29.700 0.327 0.000 0.787 153 E HN 1.020 nan 8.360 nan 0.000 0.473 154 G N 0.119 108.846 108.800 -0.121 0.000 2.198 154 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.260 154 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.260 154 G C 0.628 175.649 174.900 0.201 0.000 1.025 154 G CA 0.473 45.643 45.100 0.115 0.000 0.769 154 G HN 0.510 nan 8.290 nan 0.000 0.507 155 G N -0.420 108.397 108.800 0.029 0.000 2.425 155 G HA2 0.214 4.173 3.960 -0.002 0.000 0.213 155 G HA3 0.214 4.173 3.960 -0.002 0.000 0.213 155 G C 0.607 175.489 174.900 -0.031 0.000 1.201 155 G CA 0.803 45.793 45.100 -0.184 0.000 0.799 155 G HN 0.709 nan 8.290 nan 0.000 0.534 156 E N 0.532 120.749 120.200 0.029 0.000 2.130 156 E HA 0.406 4.755 4.350 -0.002 0.000 0.284 156 E C -0.239 176.349 176.600 -0.020 0.000 1.018 156 E CA -0.485 55.952 56.400 0.062 0.000 0.817 156 E CB 0.482 30.290 29.700 0.180 0.000 1.078 156 E HN 0.100 nan 8.360 nan 0.000 0.396 157 L N 3.652 124.824 121.223 -0.085 0.000 2.436 157 L HA 0.413 4.752 4.340 -0.002 0.000 0.265 157 L C 1.341 177.901 176.870 -0.517 0.000 1.168 157 L CA 0.655 55.392 54.840 -0.171 0.000 0.815 157 L CB 0.946 42.977 42.059 -0.046 0.000 1.109 157 L HN 0.997 nan 8.230 nan 0.000 0.462 158 G N 0.403 108.873 108.800 -0.549 0.000 2.705 158 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.193 158 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.193 158 G C 0.353 174.863 174.900 -0.651 0.000 1.015 158 G CA -0.306 44.378 45.100 -0.692 0.000 0.743 158 G HN 0.596 nan 8.290 nan 0.000 0.476 159 Y N 1.570 121.837 120.300 -0.056 0.000 2.493 159 Y HA 0.588 5.137 4.550 -0.002 0.000 0.275 159 Y C 2.548 178.341 175.900 -0.178 0.000 1.183 159 Y CA 0.459 58.440 58.100 -0.197 0.000 1.258 159 Y CB 0.125 38.360 38.460 -0.373 0.000 1.108 159 Y HN 0.361 nan 8.280 nan 0.000 0.521 160 A N 0.899 123.669 122.820 -0.083 0.000 1.883 160 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 160 A C 2.076 179.554 177.584 -0.177 0.000 1.186 160 A CA 1.551 53.433 52.037 -0.259 0.000 0.624 160 A CB -0.725 18.154 19.000 -0.202 0.000 0.822 160 A HN 0.541 nan 8.150 nan 0.000 0.444 161 L N 0.212 121.344 121.223 -0.153 0.000 2.044 161 L HA -0.153 4.186 4.340 -0.002 0.000 0.205 161 L C 3.076 180.059 176.870 0.189 0.000 1.075 161 L CA 1.529 56.356 54.840 -0.021 0.000 0.747 161 L CB -0.595 41.381 42.059 -0.138 0.000 0.903 161 L HN 0.623 nan 8.230 nan 0.000 0.435 162 S N -1.345 114.388 115.700 0.055 0.000 2.383 162 S HA -0.260 4.209 4.470 -0.002 0.000 0.229 162 S C 1.743 176.513 174.600 0.283 0.000 1.030 162 S CA 1.332 59.586 58.200 0.090 0.000 1.002 162 S CB -0.793 62.254 63.200 -0.256 0.000 0.829 162 S HN 0.527 nan 8.310 nan 0.000 0.467 163 H N 1.355 120.485 119.070 0.100 0.000 2.333 163 H HA 0.186 4.741 4.556 -0.002 0.000 0.302 163 H C 2.723 178.068 175.328 0.029 0.000 1.075 163 H CA 0.669 56.750 56.048 0.055 0.000 1.348 163 H CB -0.298 29.487 29.762 0.038 0.000 1.393 163 H HN 0.569 nan 8.280 nan 0.000 0.509 164 A N 0.918 123.790 122.820 0.087 0.000 1.892 164 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 164 A C 1.937 179.468 177.584 -0.088 0.000 1.188 164 A CA 1.763 53.759 52.037 -0.068 0.000 0.631 164 A CB -1.090 17.780 19.000 -0.216 0.000 0.822 164 A HN 0.430 nan 8.150 nan 0.000 0.447 165 Y N -0.095 120.253 120.300 0.080 0.000 2.242 165 Y HA -0.024 4.525 4.550 -0.002 0.000 0.291 165 Y C 2.797 178.651 175.900 -0.075 0.000 1.137 165 Y CA 1.034 59.135 58.100 0.002 0.000 1.181 165 Y CB -0.779 37.703 38.460 0.035 0.000 0.989 165 Y HN 0.337 nan 8.280 nan 0.000 0.527 166 G N -0.664 108.267 108.800 0.217 0.000 2.408 166 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.217 166 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.217 166 G C 1.903 176.910 174.900 0.179 0.000 1.150 166 G CA 0.848 46.035 45.100 0.145 0.000 0.776 166 G HN 0.455 nan 8.290 nan 0.000 0.542 167 A N 1.275 124.173 122.820 0.129 0.000 1.933 167 A HA 0.003 4.322 4.320 -0.002 0.000 0.218 167 A C 2.356 180.010 177.584 0.118 0.000 1.175 167 A CA 1.507 53.605 52.037 0.100 0.000 0.628 167 A CB -0.417 18.609 19.000 0.044 0.000 0.814 167 A HN 0.782 nan 8.150 nan 0.000 0.444 168 I N -3.628 116.999 120.570 0.094 0.000 3.428 168 I HA 0.170 4.339 4.170 -0.002 0.000 0.286 168 I C 0.713 176.914 176.117 0.139 0.000 1.287 168 I CA -0.085 61.284 61.300 0.116 0.000 1.396 168 I CB -0.319 37.730 38.000 0.081 0.000 1.062 168 I HN 0.088 nan 8.210 nan 0.000 0.471 169 M N 2.701 122.391 119.600 0.150 0.000 2.252 169 M HA -0.004 4.474 4.480 -0.002 0.000 0.348 169 M C 0.222 176.686 176.300 0.273 0.000 1.334 169 M CA 0.809 56.196 55.300 0.145 0.000 1.071 169 M CB -0.009 32.618 32.600 0.046 0.000 1.763 169 M HN 0.231 nan 8.290 nan 0.000 0.452 170 D N 0.916 121.437 120.400 0.202 0.000 2.882 170 D HA -0.197 4.441 4.640 -0.002 0.000 0.229 170 D C -0.383 176.033 176.300 0.193 0.000 1.167 170 D CA 0.984 55.114 54.000 0.216 0.000 0.759 170 D CB -1.267 39.723 40.800 0.316 0.000 1.088 170 D HN 0.605 nan 8.370 nan 0.000 0.425 171 N N -0.149 118.660 118.700 0.182 0.000 2.723 171 N HA 0.135 4.874 4.740 -0.002 0.000 0.290 171 N C -1.761 173.883 175.510 0.223 0.000 1.882 171 N CA -1.432 51.724 53.050 0.176 0.000 0.851 171 N CB 0.999 39.584 38.487 0.162 0.000 1.234 171 N HN -0.041 nan 8.380 nan 0.000 0.491 172 P HA -0.092 nan 4.420 nan 0.000 0.222 172 P C 0.901 178.512 177.300 0.518 0.000 1.147 172 P CA 0.960 64.236 63.100 0.293 0.000 0.790 172 P CB 0.274 32.103 31.700 0.215 0.000 0.780 173 S N -1.698 114.228 115.700 0.377 0.000 2.548 173 S HA 0.085 4.554 4.470 -0.002 0.000 0.215 173 S C 0.713 175.416 174.600 0.172 0.000 0.976 173 S CA -0.405 57.967 58.200 0.287 0.000 0.908 173 S CB -0.872 62.383 63.200 0.092 0.000 0.781 173 S HN 0.016 nan 8.310 nan 0.000 0.519 174 L N 2.177 123.597 121.223 0.329 0.000 2.276 174 L HA 0.634 4.972 4.340 -0.002 0.000 0.286 174 L C -0.860 176.306 176.870 0.493 0.000 1.061 174 L CA -0.850 54.151 54.840 0.269 0.000 0.807 174 L CB 0.872 43.049 42.059 0.197 0.000 1.177 174 L HN 0.279 nan 8.230 nan 0.000 0.429 175 F N 6.085 126.170 119.950 0.225 0.000 2.427 175 F HA 0.617 5.143 4.527 -0.002 0.000 0.346 175 F C -0.982 174.941 175.800 0.205 0.000 1.120 175 F CA -0.993 57.224 58.000 0.361 0.000 1.033 175 F CB 1.417 40.640 39.000 0.372 0.000 1.126 175 F HN 0.148 nan 8.300 nan 0.000 0.462 176 V N 8.296 128.090 119.914 -0.201 0.000 2.304 176 V HA 0.333 4.452 4.120 -0.002 0.000 0.278 176 V C -2.354 173.408 176.094 -0.552 0.000 1.018 176 V CA -1.852 60.239 62.300 -0.349 0.000 0.814 176 V CB 1.152 32.877 31.823 -0.163 0.000 1.021 176 V HN 0.607 nan 8.190 nan 0.000 0.440 177 P HA 0.288 nan 4.420 nan 0.000 0.275 177 P C -0.466 176.722 177.300 -0.187 0.000 1.276 177 P CA 0.175 63.061 63.100 -0.357 0.000 0.782 177 P CB 0.771 32.345 31.700 -0.211 0.000 0.851 178 A N 5.412 128.143 122.820 -0.148 0.000 2.273 178 A HA 0.458 4.777 4.320 -0.002 0.000 0.320 178 A C 0.006 177.550 177.584 -0.066 0.000 1.358 178 A CA -0.715 51.248 52.037 -0.122 0.000 0.910 178 A CB -0.213 18.690 19.000 -0.161 0.000 1.159 178 A HN 0.471 nan 8.150 nan 0.000 0.526 179 I N 3.195 123.741 120.570 -0.040 0.000 2.337 179 I HA 0.245 4.414 4.170 -0.002 0.000 0.291 179 I C -0.529 175.617 176.117 0.048 0.000 1.046 179 I CA -0.287 61.019 61.300 0.010 0.000 1.324 179 I CB 1.321 39.314 38.000 -0.011 0.000 1.409 179 I HN 0.260 nan 8.210 nan 0.000 0.494 180 V N 5.904 125.879 119.914 0.102 0.000 2.409 180 V HA 0.417 4.536 4.120 -0.002 0.000 0.291 180 V C 0.778 177.003 176.094 0.218 0.000 1.020 180 V CA -0.729 61.636 62.300 0.110 0.000 0.848 180 V CB 1.512 33.375 31.823 0.066 0.000 0.990 180 V HN 0.893 nan 8.190 nan 0.000 0.430 181 G N 2.763 111.685 108.800 0.204 0.000 2.432 181 G HA2 0.147 4.106 3.960 -0.002 0.000 0.239 181 G HA3 0.147 4.106 3.960 -0.002 0.000 0.239 181 G C 0.799 175.822 174.900 0.205 0.000 1.291 181 G CA 0.211 45.442 45.100 0.218 0.000 0.863 181 G HN 0.926 nan 8.290 nan 0.000 0.560 182 D N 1.490 122.003 120.400 0.188 0.000 2.218 182 D HA -0.095 4.543 4.640 -0.002 0.000 0.204 182 D C 2.099 178.475 176.300 0.126 0.000 0.976 182 D CA 1.259 55.365 54.000 0.178 0.000 0.853 182 D CB -0.669 40.218 40.800 0.146 0.000 0.939 182 D HN 0.451 nan 8.370 nan 0.000 0.481 183 G N 0.548 109.409 108.800 0.102 0.000 2.394 183 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.214 183 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.214 183 G C 1.476 176.417 174.900 0.069 0.000 1.176 183 G CA 0.632 45.773 45.100 0.068 0.000 0.786 183 G HN 0.447 nan 8.290 nan 0.000 0.533 184 E N 0.663 120.917 120.200 0.091 0.000 2.130 184 E HA -0.128 4.221 4.350 -0.002 0.000 0.196 184 E C 2.596 179.225 176.600 0.047 0.000 0.998 184 E CA 1.043 57.475 56.400 0.052 0.000 0.806 184 E CB -0.285 29.456 29.700 0.067 0.000 0.738 184 E HN 0.335 nan 8.360 nan 0.000 0.459 185 A N 0.684 123.581 122.820 0.128 0.000 2.186 185 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 185 A C 1.633 179.318 177.584 0.169 0.000 1.159 185 A CA 1.361 53.531 52.037 0.221 0.000 0.680 185 A CB -0.385 18.877 19.000 0.436 0.000 0.787 185 A HN 0.364 nan 8.150 nan 0.000 0.467 186 E N 0.036 120.288 120.200 0.087 0.000 2.478 186 E HA -0.000 4.348 4.350 -0.002 0.000 0.194 186 E C 0.578 177.185 176.600 0.013 0.000 1.045 186 E CA 0.481 56.908 56.400 0.045 0.000 0.868 186 E CB 0.011 29.720 29.700 0.015 0.000 0.885 186 E HN 0.757 nan 8.360 nan 0.000 0.505 187 T N -2.852 111.694 114.554 -0.014 0.000 2.882 187 T HA 0.275 4.624 4.350 -0.002 0.000 0.287 187 T C 1.411 176.067 174.700 -0.073 0.000 1.014 187 T CA -0.349 61.711 62.100 -0.067 0.000 1.049 187 T CB 1.717 70.503 68.868 -0.137 0.000 1.001 187 T HN 0.011 nan 8.240 nan 0.000 0.525 188 G N 1.418 110.157 108.800 -0.102 0.000 2.459 188 G HA2 -0.084 3.875 3.960 -0.002 0.000 0.217 188 G HA3 -0.084 3.875 3.960 -0.002 0.000 0.217 188 G C -0.893 173.899 174.900 -0.179 0.000 1.183 188 G CA 0.517 45.549 45.100 -0.113 0.000 0.776 188 G HN 0.637 nan 8.290 nan 0.000 0.552 189 P HA -0.051 nan 4.420 nan 0.000 0.217 189 P C 2.072 179.250 177.300 -0.204 0.000 1.150 189 P CA 0.356 63.264 63.100 -0.320 0.000 0.832 189 P CB -0.027 31.485 31.700 -0.314 0.000 0.787 190 L N -0.309 120.789 121.223 -0.209 0.000 2.027 190 L HA -0.106 4.232 4.340 -0.002 0.000 0.206 190 L C 2.050 178.798 176.870 -0.203 0.000 1.074 190 L CA 2.326 57.022 54.840 -0.240 0.000 0.745 190 L CB -1.606 40.330 42.059 -0.204 0.000 0.898 190 L HN -0.060 nan 8.230 nan 0.000 0.433 191 A N -1.301 121.530 122.820 0.019 0.000 1.908 191 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 191 A C 2.351 180.090 177.584 0.259 0.000 1.181 191 A CA 2.381 54.585 52.037 0.279 0.000 0.627 191 A CB -1.079 18.061 19.000 0.233 0.000 0.818 191 A HN 0.480 nan 8.150 nan 0.000 0.445 192 T N -0.964 113.637 114.554 0.078 0.000 2.951 192 T HA 0.045 4.393 4.350 -0.002 0.000 0.268 192 T C 1.762 176.470 174.700 0.013 0.000 1.073 192 T CA 1.584 63.717 62.100 0.056 0.000 1.134 192 T CB -0.484 68.388 68.868 0.007 0.000 0.884 192 T HN 0.509 nan 8.240 nan 0.000 0.479 193 G N -0.572 108.176 108.800 -0.087 0.000 2.470 193 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.220 193 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.220 193 G C 1.188 176.059 174.900 -0.048 0.000 1.121 193 G CA 0.255 45.281 45.100 -0.124 0.000 0.766 193 G HN 0.635 nan 8.290 nan 0.000 0.553 194 W N 0.469 121.833 121.300 0.107 0.000 2.392 194 W HA 0.001 4.660 4.660 -0.002 0.000 0.279 194 W C 2.609 179.194 176.519 0.110 0.000 1.225 194 W CA 0.537 58.009 57.345 0.212 0.000 1.233 194 W CB 0.136 29.720 29.460 0.207 0.000 1.122 194 W HN 0.153 nan 8.180 nan 0.000 0.561 195 Q N -0.009 119.899 119.800 0.179 0.000 2.435 195 Q HA -0.045 4.294 4.340 -0.002 0.000 0.207 195 Q C 1.896 177.796 176.000 -0.166 0.000 0.956 195 Q CA 0.958 56.763 55.803 0.004 0.000 0.917 195 Q CB -0.504 28.234 28.738 0.000 0.000 0.997 195 Q HN 0.257 nan 8.270 nan 0.000 0.497 196 S N 2.736 118.270 115.700 -0.276 0.000 2.462 196 S HA -0.152 4.317 4.470 -0.002 0.000 0.243 196 S C 1.438 175.618 174.600 -0.699 0.000 1.003 196 S CA 1.277 59.184 58.200 -0.488 0.000 0.970 196 S CB -0.353 62.301 63.200 -0.911 0.000 0.762 196 S HN 0.582 nan 8.310 nan 0.000 0.510 197 N N 1.157 119.486 118.700 -0.618 0.000 2.573 197 N HA -0.052 4.687 4.740 -0.002 0.000 0.187 197 N C 0.811 176.145 175.510 -0.293 0.000 1.107 197 N CA 0.695 53.495 53.050 -0.417 0.000 0.918 197 N CB -0.226 38.042 38.487 -0.365 0.000 0.966 197 N HN 0.160 nan 8.380 nan 0.000 0.448 198 K N -0.202 119.993 120.400 -0.341 0.000 2.404 198 K HA 0.347 4.666 4.320 -0.002 0.000 0.194 198 K C 0.778 177.128 176.600 -0.417 0.000 1.023 198 K CA 0.182 56.217 56.287 -0.419 0.000 1.094 198 K CB 0.321 32.510 32.500 -0.518 0.000 0.841 198 K HN 0.223 nan 8.250 nan 0.000 0.523 199 L N -0.089 120.964 121.223 -0.284 0.000 2.906 199 L HA 0.265 4.604 4.340 -0.002 0.000 0.255 199 L C -0.228 176.541 176.870 -0.168 0.000 1.166 199 L CA -0.493 54.238 54.840 -0.182 0.000 0.977 199 L CB 0.645 42.660 42.059 -0.074 0.000 1.313 199 L HN -0.177 nan 8.230 nan 0.000 0.549 200 V N -4.250 115.569 119.914 -0.158 0.000 3.074 200 V HA 0.574 4.693 4.120 -0.002 0.000 0.314 200 V C -0.852 175.217 176.094 -0.041 0.000 1.117 200 V CA -0.745 61.504 62.300 -0.086 0.000 1.014 200 V CB 2.357 34.160 31.823 -0.032 0.000 1.057 200 V HN 0.128 nan 8.190 nan 0.000 0.438 201 N N 1.856 120.549 118.700 -0.011 0.000 2.314 201 N HA 0.509 5.248 4.740 -0.002 0.000 0.294 201 N C -2.349 173.171 175.510 0.017 0.000 1.029 201 N CA -1.809 51.240 53.050 -0.002 0.000 0.845 201 N CB 3.228 41.704 38.487 -0.018 0.000 1.321 201 N HN 0.540 nan 8.380 nan 0.000 0.481 202 P HA 0.035 nan 4.420 nan 0.000 0.245 202 P C 0.843 178.088 177.300 -0.091 0.000 1.212 202 P CA 0.588 63.675 63.100 -0.021 0.000 0.774 202 P CB 0.579 32.258 31.700 -0.035 0.000 0.999 203 R N 0.554 121.021 120.500 -0.054 0.000 2.087 203 R HA 0.005 4.344 4.340 -0.002 0.000 0.216 203 R C 1.978 178.283 176.300 0.008 0.000 1.114 203 R CA 1.704 57.779 56.100 -0.041 0.000 1.002 203 R CB -0.396 29.885 30.300 -0.031 0.000 0.903 203 R HN 0.117 nan 8.270 nan 0.000 0.445 204 T N -1.448 113.119 114.554 0.022 0.000 3.054 204 T HA 0.105 4.454 4.350 -0.002 0.000 0.259 204 T C 0.262 175.008 174.700 0.075 0.000 1.092 204 T CA 0.112 62.244 62.100 0.054 0.000 1.121 204 T CB 0.119 69.020 68.868 0.055 0.000 0.912 204 T HN 0.052 nan 8.240 nan 0.000 0.489 205 D N 0.527 120.962 120.400 0.060 0.000 2.449 205 D HA 0.565 5.204 4.640 -0.002 0.000 0.250 205 D C 0.745 177.107 176.300 0.103 0.000 1.050 205 D CA -0.510 53.540 54.000 0.084 0.000 1.024 205 D CB 1.487 42.319 40.800 0.054 0.000 1.218 205 D HN 0.258 nan 8.370 nan 0.000 0.566 206 G N -0.395 108.502 108.800 0.162 0.000 2.580 206 G HA2 0.432 4.391 3.960 -0.002 0.000 0.225 206 G HA3 0.432 4.391 3.960 -0.002 0.000 0.225 206 G C -0.299 174.674 174.900 0.121 0.000 1.521 206 G CA -0.192 45.061 45.100 0.256 0.000 1.068 206 G HN 0.366 nan 8.290 nan 0.000 0.564 207 I N 0.314 121.040 120.570 0.259 0.000 2.499 207 I HA 0.285 4.453 4.170 -0.002 0.000 0.288 207 I C -0.499 175.757 176.117 0.231 0.000 1.048 207 I CA -0.565 60.846 61.300 0.185 0.000 1.062 207 I CB 1.492 39.593 38.000 0.168 0.000 1.238 207 I HN -0.001 nan 8.210 nan 0.000 0.426 208 V N 6.563 126.427 119.914 -0.083 0.000 2.432 208 V HA 0.256 4.375 4.120 -0.002 0.000 0.275 208 V C -0.025 176.076 176.094 0.013 0.000 1.043 208 V CA -0.613 61.559 62.300 -0.214 0.000 0.925 208 V CB 1.909 33.250 31.823 -0.803 0.000 0.985 208 V HN 0.461 nan 8.190 nan 0.000 0.466 209 L N 9.582 130.852 121.223 0.079 0.000 2.272 209 L HA 0.560 4.899 4.340 -0.002 0.000 0.284 209 L C -2.442 174.424 176.870 -0.008 0.000 1.045 209 L CA -1.746 53.157 54.840 0.104 0.000 0.842 209 L CB 1.087 43.259 42.059 0.189 0.000 1.224 209 L HN 0.386 nan 8.230 nan 0.000 0.430 210 P HA 0.232 nan 4.420 nan 0.000 0.271 210 P C -0.839 176.467 177.300 0.009 0.000 1.220 210 P CA 0.353 63.452 63.100 -0.002 0.000 0.768 210 P CB 0.595 32.345 31.700 0.085 0.000 0.848 211 I N 3.830 124.427 120.570 0.044 0.000 2.390 211 I HA 0.167 4.336 4.170 -0.002 0.000 0.283 211 I C -0.094 176.119 176.117 0.160 0.000 1.016 211 I CA -1.020 60.333 61.300 0.087 0.000 1.151 211 I CB 1.313 39.356 38.000 0.072 0.000 1.293 211 I HN 0.132 nan 8.210 nan 0.000 0.458 212 L N 7.314 128.656 121.223 0.197 0.000 2.485 212 L HA 0.088 4.427 4.340 -0.002 0.000 0.279 212 L C 0.474 177.581 176.870 0.394 0.000 1.124 212 L CA 0.385 55.404 54.840 0.298 0.000 0.888 212 L CB -0.448 41.761 42.059 0.251 0.000 1.217 212 L HN 0.472 nan 8.230 nan 0.000 0.464 213 H N 5.289 124.525 119.070 0.277 0.000 3.216 213 H HA 0.100 4.655 4.556 -0.002 0.000 0.263 213 H C -0.096 175.391 175.328 0.266 0.000 1.601 213 H CA -0.742 55.505 56.048 0.332 0.000 1.509 213 H CB 0.387 30.306 29.762 0.262 0.000 1.759 213 H HN 0.541 nan 8.280 nan 0.000 0.533 214 L N 5.641 127.099 121.223 0.391 0.000 2.480 214 L HA 0.031 4.370 4.340 -0.002 0.000 0.243 214 L C 0.675 177.625 176.870 0.133 0.000 1.315 214 L CA -0.135 54.829 54.840 0.206 0.000 1.231 214 L CB -0.496 41.672 42.059 0.182 0.000 1.444 214 L HN 0.673 nan 8.230 nan 0.000 0.409 215 N N 0.078 118.818 118.700 0.065 0.000 2.336 215 N HA 0.173 4.912 4.740 -0.002 0.000 0.189 215 N C 1.168 176.733 175.510 0.091 0.000 1.113 215 N CA 0.575 53.659 53.050 0.058 0.000 0.858 215 N CB 0.320 38.771 38.487 -0.061 0.000 0.970 215 N HN 0.419 nan 8.380 nan 0.000 0.471 216 G N -1.775 107.000 108.800 -0.041 0.000 2.195 216 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.224 216 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.224 216 G C -0.584 173.825 174.900 -0.818 0.000 0.990 216 G CA 0.169 45.059 45.100 -0.351 0.000 0.639 216 G HN 0.371 nan 8.290 nan 0.000 0.514 217 Y N 0.167 120.529 120.300 0.104 0.000 2.581 217 Y HA 0.556 5.105 4.550 -0.002 0.000 0.337 217 Y C 0.578 176.539 175.900 0.101 0.000 1.108 217 Y CA -0.696 57.485 58.100 0.135 0.000 1.033 217 Y CB 1.358 39.959 38.460 0.235 0.000 1.318 217 Y HN 0.228 nan 8.280 nan 0.000 0.459 218 K N 0.453 120.978 120.400 0.208 0.000 3.169 218 K HA 0.568 4.887 4.320 -0.002 0.000 0.251 218 K C 0.568 177.140 176.600 -0.046 0.000 0.992 218 K CA -0.416 55.909 56.287 0.063 0.000 1.643 218 K CB 0.538 33.031 32.500 -0.012 0.000 2.979 218 K HN 0.500 nan 8.250 nan 0.000 0.905 219 I N 0.341 120.758 120.570 -0.255 0.000 2.235 219 I HA -0.093 4.076 4.170 -0.002 0.000 0.241 219 I C 1.627 177.703 176.117 -0.070 0.000 1.085 219 I CA 1.532 62.599 61.300 -0.388 0.000 1.378 219 I CB 0.050 37.859 38.000 -0.317 0.000 1.076 219 I HN 0.663 nan 8.210 nan 0.000 0.415 220 A N -0.350 122.360 122.820 -0.183 0.000 2.605 220 A HA 0.378 4.697 4.320 -0.002 0.000 0.292 220 A C -0.009 177.181 177.584 -0.658 0.000 1.055 220 A CA -0.326 51.417 52.037 -0.490 0.000 0.969 220 A CB -0.018 18.739 19.000 -0.406 0.000 1.236 220 A HN 0.267 nan 8.150 nan 0.000 0.534 221 N N 0.447 118.966 118.700 -0.301 0.000 2.708 221 N HA 0.415 5.154 4.740 -0.002 0.000 0.257 221 N C -3.362 172.237 175.510 0.150 0.000 1.373 221 N CA -1.038 51.927 53.050 -0.140 0.000 0.843 221 N CB 2.685 41.106 38.487 -0.110 0.000 1.503 221 N HN -0.021 nan 8.380 nan 0.000 0.504 222 P HA 0.104 nan 4.420 nan 0.000 0.274 222 P C -0.391 176.853 177.300 -0.093 0.000 1.256 222 P CA 0.044 63.108 63.100 -0.060 0.000 0.795 222 P CB 0.263 31.924 31.700 -0.065 0.000 1.038 223 T N -2.617 111.835 114.554 -0.170 0.000 2.859 223 T HA 0.404 4.753 4.350 -0.002 0.000 0.281 223 T C 1.587 176.238 174.700 -0.082 0.000 1.005 223 T CA -0.801 61.247 62.100 -0.086 0.000 1.025 223 T CB 0.465 69.300 68.868 -0.054 0.000 0.977 223 T HN 0.206 nan 8.240 nan 0.000 0.458 224 I N 1.228 121.762 120.570 -0.060 0.000 2.118 224 I HA -0.219 3.950 4.170 -0.002 0.000 0.241 224 I C 2.325 178.394 176.117 -0.081 0.000 1.070 224 I CA 1.654 62.910 61.300 -0.074 0.000 1.327 224 I CB -0.438 37.515 38.000 -0.079 0.000 1.034 224 I HN 0.646 nan 8.210 nan 0.000 0.405 225 L N 0.428 121.618 121.223 -0.055 0.000 2.265 225 L HA -0.148 4.191 4.340 -0.002 0.000 0.215 225 L C 2.576 179.437 176.870 -0.015 0.000 1.117 225 L CA 1.352 56.170 54.840 -0.037 0.000 0.782 225 L CB -0.677 41.413 42.059 0.051 0.000 0.914 225 L HN 0.386 nan 8.230 nan 0.000 0.441 226 S N -1.132 114.544 115.700 -0.040 0.000 2.527 226 S HA 0.038 4.507 4.470 -0.002 0.000 0.222 226 S C 1.878 176.427 174.600 -0.086 0.000 0.985 226 S CA -0.025 58.139 58.200 -0.061 0.000 0.921 226 S CB 0.088 63.217 63.200 -0.119 0.000 0.772 226 S HN 0.333 nan 8.310 nan 0.000 0.529 227 R N 0.948 121.396 120.500 -0.086 0.000 2.404 227 R HA 0.438 4.776 4.340 -0.002 0.000 0.237 227 R C 0.951 177.208 176.300 -0.071 0.000 0.907 227 R CA -0.041 56.010 56.100 -0.082 0.000 1.063 227 R CB -0.267 29.985 30.300 -0.080 0.000 1.134 227 R HN 0.646 nan 8.270 nan 0.000 0.529 228 I N -0.015 120.510 120.570 -0.076 0.000 3.269 228 I HA 0.163 4.332 4.170 -0.002 0.000 0.287 228 I C 0.850 176.931 176.117 -0.059 0.000 1.152 228 I CA -0.670 60.585 61.300 -0.076 0.000 1.263 228 I CB 0.430 38.367 38.000 -0.105 0.000 1.439 228 I HN -0.112 nan 8.210 nan 0.000 0.637 229 S N 0.941 116.609 115.700 -0.054 0.000 2.573 229 S HA -0.010 4.459 4.470 -0.002 0.000 0.277 229 S C 0.556 175.142 174.600 -0.024 0.000 1.346 229 S CA 0.063 58.236 58.200 -0.045 0.000 1.034 229 S CB 1.152 64.325 63.200 -0.046 0.000 0.879 229 S HN 0.841 nan 8.310 nan 0.000 0.528 230 D N 1.133 121.517 120.400 -0.027 0.000 2.178 230 D HA -0.086 4.553 4.640 -0.002 0.000 0.201 230 D C 1.602 177.903 176.300 0.002 0.000 0.980 230 D CA 1.458 55.461 54.000 0.004 0.000 0.842 230 D CB -0.069 40.699 40.800 -0.052 0.000 0.948 230 D HN 0.744 nan 8.370 nan 0.000 0.472 231 E N 0.374 120.543 120.200 -0.051 0.000 2.072 231 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 231 E C 2.032 178.647 176.600 0.025 0.000 0.985 231 E CA 0.941 57.311 56.400 -0.050 0.000 0.801 231 E CB -0.188 29.474 29.700 -0.063 0.000 0.750 231 E HN 0.420 nan 8.360 nan 0.000 0.452 232 E N 0.081 120.289 120.200 0.012 0.000 2.110 232 E HA -0.179 4.170 4.350 -0.002 0.000 0.193 232 E C 1.899 178.532 176.600 0.055 0.000 0.988 232 E CA 0.617 57.025 56.400 0.013 0.000 0.804 232 E CB -0.093 29.580 29.700 -0.046 0.000 0.745 232 E HN 0.080 nan 8.360 nan 0.000 0.458 233 L N 0.743 122.023 121.223 0.095 0.000 2.017 233 L HA -0.204 4.134 4.340 -0.002 0.000 0.208 233 L C 2.074 179.110 176.870 0.277 0.000 1.073 233 L CA 1.940 56.873 54.840 0.154 0.000 0.745 233 L CB -0.480 41.708 42.059 0.216 0.000 0.894 233 L HN 0.241 nan 8.230 nan 0.000 0.432 234 H N -0.708 118.452 119.070 0.150 0.000 2.353 234 H HA -0.144 4.411 4.556 -0.002 0.000 0.300 234 H C 2.075 177.502 175.328 0.165 0.000 1.090 234 H CA 1.656 57.809 56.048 0.174 0.000 1.327 234 H CB 0.201 30.006 29.762 0.071 0.000 1.383 234 H HN 0.513 nan 8.280 nan 0.000 0.508 235 E N 0.236 120.576 120.200 0.232 0.000 2.118 235 E HA -0.185 4.164 4.350 -0.002 0.000 0.195 235 E C 1.958 178.667 176.600 0.182 0.000 0.992 235 E CA 0.913 57.415 56.400 0.171 0.000 0.804 235 E CB -0.141 29.622 29.700 0.105 0.000 0.741 235 E HN 0.268 nan 8.360 nan 0.000 0.458 236 F N 0.580 120.480 119.950 -0.084 0.000 2.075 236 F HA -0.196 4.330 4.527 -0.002 0.000 0.297 236 F C 1.741 177.382 175.800 -0.265 0.000 1.113 236 F CA 1.339 59.188 58.000 -0.252 0.000 1.218 236 F CB -0.393 38.306 39.000 -0.503 0.000 0.984 236 F HN -0.078 nan 8.300 nan 0.000 0.472 237 F N -0.195 119.681 119.950 -0.123 0.000 2.186 237 F HA -0.164 4.362 4.527 -0.002 0.000 0.299 237 F C 2.862 178.691 175.800 0.049 0.000 1.090 237 F CA 1.750 59.622 58.000 -0.213 0.000 1.307 237 F CB -1.364 37.512 39.000 -0.206 0.000 1.019 237 F HN 0.190 nan 8.300 nan 0.000 0.489 238 H N -0.248 118.935 119.070 0.188 0.000 2.387 238 H HA -0.074 4.481 4.556 -0.002 0.000 0.299 238 H C 2.367 177.812 175.328 0.194 0.000 1.090 238 H CA 1.422 57.586 56.048 0.194 0.000 1.332 238 H CB -0.364 29.451 29.762 0.088 0.000 1.386 238 H HN 0.329 nan 8.280 nan 0.000 0.516 239 G N -0.153 108.730 108.800 0.138 0.000 2.484 239 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.218 239 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.218 239 G C 1.538 176.412 174.900 -0.043 0.000 1.130 239 G CA 0.109 45.247 45.100 0.063 0.000 0.784 239 G HN 0.333 nan 8.290 nan 0.000 0.543 240 M N 0.462 120.003 119.600 -0.099 0.000 2.505 240 M HA 0.250 4.729 4.480 -0.002 0.000 0.230 240 M C 1.475 177.629 176.300 -0.244 0.000 1.153 240 M CA 0.529 55.750 55.300 -0.131 0.000 0.997 240 M CB 0.619 33.142 32.600 -0.127 0.000 1.606 240 M HN 0.292 nan 8.290 nan 0.000 0.481 241 G N 0.429 109.085 108.800 -0.240 0.000 2.142 241 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.225 241 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.225 241 G C -0.631 174.002 174.900 -0.445 0.000 1.015 241 G CA -0.393 44.403 45.100 -0.508 0.000 0.716 241 G HN 0.438 nan 8.290 nan 0.000 0.508 242 Y N -0.718 119.675 120.300 0.155 0.000 2.549 242 Y HA 0.678 5.227 4.550 -0.002 0.000 0.339 242 Y C 0.339 176.404 175.900 0.275 0.000 1.053 242 Y CA -1.476 56.761 58.100 0.227 0.000 1.105 242 Y CB 1.698 40.248 38.460 0.151 0.000 1.258 242 Y HN 0.085 nan 8.280 nan 0.000 0.478 243 E N 4.692 125.137 120.200 0.409 0.000 2.055 243 E HA 0.354 4.703 4.350 -0.002 0.000 0.274 243 E C -2.853 173.830 176.600 0.138 0.000 0.949 243 E CA -2.683 53.859 56.400 0.238 0.000 0.775 243 E CB 0.832 30.636 29.700 0.174 0.000 1.097 243 E HN 0.149 nan 8.360 nan 0.000 0.404 244 P HA 0.222 nan 4.420 nan 0.000 0.286 244 P C -1.215 175.959 177.300 -0.210 0.000 1.261 244 P CA -0.418 62.626 63.100 -0.093 0.000 0.821 244 P CB 0.786 32.350 31.700 -0.228 0.000 1.013 245 Y N -0.283 119.974 120.300 -0.072 0.000 2.462 245 Y HA 0.439 4.987 4.550 -0.002 0.000 0.346 245 Y C 0.572 176.511 175.900 0.066 0.000 0.976 245 Y CA -0.536 57.580 58.100 0.027 0.000 1.044 245 Y CB 2.685 41.154 38.460 0.015 0.000 1.230 245 Y HN 0.350 nan 8.280 nan 0.000 0.455 246 E N 2.766 123.149 120.200 0.304 0.000 2.210 246 E HA 0.440 4.789 4.350 -0.002 0.000 0.266 246 E C -2.038 174.781 176.600 0.365 0.000 0.883 246 E CA -0.736 55.844 56.400 0.300 0.000 0.761 246 E CB 1.363 31.246 29.700 0.305 0.000 1.156 246 E HN 0.481 nan 8.360 nan 0.000 0.412 247 F N 4.621 124.713 119.950 0.237 0.000 2.482 247 F HA 0.520 5.046 4.527 -0.001 0.000 0.331 247 F C -1.451 174.416 175.800 0.111 0.000 1.115 247 F CA -0.605 57.540 58.000 0.241 0.000 0.955 247 F CB 1.316 40.597 39.000 0.468 0.000 1.136 247 F HN 0.212 nan 8.300 nan 0.000 0.452 248 V N 5.148 124.798 119.914 -0.440 0.000 2.588 248 V HA 0.945 5.064 4.120 -0.002 0.000 0.304 248 V C -0.561 175.160 176.094 -0.621 0.000 1.042 248 V CA -0.478 61.595 62.300 -0.379 0.000 0.877 248 V CB 1.021 32.713 31.823 -0.219 0.000 0.996 248 V HN 1.064 nan 8.190 nan 0.000 0.425 249 A N 2.647 125.179 122.820 -0.480 0.000 2.610 249 A HA 0.839 5.158 4.320 -0.002 0.000 0.291 249 A C 0.570 177.795 177.584 -0.600 0.000 1.086 249 A CA 0.086 51.869 52.037 -0.424 0.000 0.677 249 A CB 1.377 20.156 19.000 -0.369 0.000 1.278 249 A HN 2.129 nan 8.150 nan 0.000 0.414 250 G N -1.385 107.183 108.800 -0.387 0.000 2.175 250 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.244 250 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.244 250 G C 0.295 174.870 174.900 -0.541 0.000 0.982 250 G CA 0.801 45.564 45.100 -0.561 0.000 0.641 250 G HN 1.027 nan 8.290 nan 0.000 0.527 251 F N 2.001 121.819 119.950 -0.220 0.000 2.765 251 F HA 0.346 4.872 4.527 -0.002 0.000 0.302 251 F C 1.374 177.143 175.800 -0.052 0.000 1.111 251 F CA 0.555 58.474 58.000 -0.136 0.000 1.359 251 F CB 0.324 39.232 39.000 -0.152 0.000 1.097 251 F HN 0.394 nan 8.300 nan 0.000 0.577 252 D N -2.829 117.635 120.400 0.107 0.000 3.076 252 D HA 0.141 4.780 4.640 -0.002 0.000 0.301 252 D C -0.177 176.181 176.300 0.098 0.000 1.260 252 D CA -0.509 53.548 54.000 0.094 0.000 1.027 252 D CB 0.029 40.877 40.800 0.080 0.000 1.370 252 D HN -0.284 nan 8.370 nan 0.000 0.602 253 D N -0.484 119.968 120.400 0.088 0.000 2.358 253 D HA 0.071 4.710 4.640 -0.002 0.000 0.224 253 D C -0.202 176.162 176.300 0.106 0.000 1.123 253 D CA -0.089 53.965 54.000 0.090 0.000 0.833 253 D CB 0.077 40.913 40.800 0.062 0.000 0.946 253 D HN 0.404 nan 8.370 nan 0.000 0.505 254 E N 1.996 122.274 120.200 0.129 0.000 2.529 254 E HA -0.053 4.296 4.350 -0.002 0.000 0.259 254 E C -0.239 176.478 176.600 0.195 0.000 0.966 254 E CA -0.153 56.337 56.400 0.150 0.000 0.937 254 E CB 0.525 30.320 29.700 0.159 0.000 0.923 254 E HN 0.218 nan 8.360 nan 0.000 0.468 255 D N 2.213 122.707 120.400 0.157 0.000 2.382 255 D HA -0.049 4.590 4.640 -0.002 0.000 0.240 255 D C 0.614 177.090 176.300 0.294 0.000 1.146 255 D CA 0.176 54.268 54.000 0.152 0.000 0.897 255 D CB 0.615 41.476 40.800 0.102 0.000 1.197 255 D HN 0.526 nan 8.370 nan 0.000 0.432 256 H N 0.254 119.438 119.070 0.190 0.000 2.387 256 H HA -0.116 4.438 4.556 -0.002 0.000 0.299 256 H C 1.705 177.117 175.328 0.140 0.000 1.090 256 H CA 0.765 56.933 56.048 0.200 0.000 1.332 256 H CB 0.108 30.051 29.762 0.302 0.000 1.386 256 H HN 0.393 nan 8.280 nan 0.000 0.516 257 M N 0.095 119.908 119.600 0.355 0.000 2.213 257 M HA -0.152 4.327 4.480 -0.002 0.000 0.263 257 M C 2.585 179.058 176.300 0.289 0.000 1.062 257 M CA 0.933 56.441 55.300 0.347 0.000 1.105 257 M CB -0.728 32.023 32.600 0.251 0.000 1.385 257 M HN 0.197 nan 8.290 nan 0.000 0.417 258 S N 0.454 116.303 115.700 0.249 0.000 2.387 258 S HA -0.035 4.433 4.470 -0.002 0.000 0.226 258 S C 1.907 176.682 174.600 0.292 0.000 1.026 258 S CA 0.567 58.909 58.200 0.236 0.000 0.972 258 S CB -0.117 63.200 63.200 0.194 0.000 0.814 258 S HN 0.419 nan 8.310 nan 0.000 0.477 259 I N 1.440 122.192 120.570 0.303 0.000 2.127 259 I HA -0.198 3.970 4.170 -0.002 0.000 0.241 259 I C 2.559 178.976 176.117 0.500 0.000 1.075 259 I CA 1.590 63.132 61.300 0.403 0.000 1.334 259 I CB -0.641 37.566 38.000 0.344 0.000 1.040 259 I HN 0.394 nan 8.210 nan 0.000 0.405 260 H N 0.489 119.860 119.070 0.503 0.000 2.352 260 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 260 H C 2.424 177.978 175.328 0.376 0.000 1.097 260 H CA 1.484 57.795 56.048 0.438 0.000 1.311 260 H CB -0.444 29.470 29.762 0.252 0.000 1.377 260 H HN 0.237 nan 8.280 nan 0.000 0.504 261 R N 0.776 121.521 120.500 0.408 0.000 2.080 261 R HA -0.078 4.261 4.340 -0.002 0.000 0.236 261 R C 2.660 179.139 176.300 0.298 0.000 1.137 261 R CA 1.362 57.642 56.100 0.299 0.000 0.943 261 R CB 0.021 30.464 30.300 0.239 0.000 0.846 261 R HN 0.256 nan 8.270 nan 0.000 0.431 262 R N -1.217 119.501 120.500 0.363 0.000 2.096 262 R HA -0.136 4.203 4.340 -0.002 0.000 0.235 262 R C 2.185 178.715 176.300 0.382 0.000 1.127 262 R CA 1.452 57.793 56.100 0.402 0.000 0.968 262 R CB -0.392 30.221 30.300 0.522 0.000 0.861 262 R HN 0.237 nan 8.270 nan 0.000 0.440 263 F N 1.392 121.425 119.950 0.138 0.000 2.113 263 F HA -0.157 4.369 4.527 -0.002 0.000 0.297 263 F C 2.423 178.136 175.800 -0.144 0.000 1.103 263 F CA 1.474 59.251 58.000 -0.372 0.000 1.248 263 F CB -0.197 38.411 39.000 -0.653 0.000 0.999 263 F HN -0.009 nan 8.300 nan 0.000 0.475 264 A N -0.299 122.599 122.820 0.130 0.000 1.933 264 A HA -0.262 4.057 4.320 -0.002 0.000 0.218 264 A C 2.143 179.795 177.584 0.113 0.000 1.175 264 A CA 1.903 54.035 52.037 0.158 0.000 0.628 264 A CB -0.959 18.185 19.000 0.241 0.000 0.814 264 A HN 0.592 nan 8.150 nan 0.000 0.444 265 E N -0.605 119.659 120.200 0.107 0.000 2.107 265 E HA -0.160 4.189 4.350 -0.002 0.000 0.191 265 E C 1.890 178.515 176.600 0.042 0.000 0.982 265 E CA 1.163 57.624 56.400 0.102 0.000 0.809 265 E CB -0.197 29.580 29.700 0.128 0.000 0.756 265 E HN 0.449 nan 8.360 nan 0.000 0.459 266 L N 0.830 122.035 121.223 -0.030 0.000 2.056 266 L HA -0.126 4.213 4.340 -0.002 0.000 0.207 266 L C 2.142 178.870 176.870 -0.237 0.000 1.078 266 L CA 1.748 56.526 54.840 -0.104 0.000 0.749 266 L CB -0.736 41.261 42.059 -0.103 0.000 0.901 266 L HN 0.400 nan 8.230 nan 0.000 0.433 267 W N 0.665 121.638 121.300 -0.545 0.000 2.335 267 W HA -0.218 4.440 4.660 -0.002 0.000 0.311 267 W C 2.139 178.526 176.519 -0.221 0.000 1.213 267 W CA 1.925 58.976 57.345 -0.491 0.000 1.274 267 W CB -0.010 29.125 29.460 -0.543 0.000 1.148 267 W HN 0.263 nan 8.180 nan 0.000 0.498 268 E N -0.387 119.890 120.200 0.129 0.000 2.106 268 E HA -0.142 4.207 4.350 -0.002 0.000 0.192 268 E C 2.029 178.679 176.600 0.083 0.000 0.984 268 E CA 1.903 58.425 56.400 0.202 0.000 0.806 268 E CB -0.822 29.032 29.700 0.257 0.000 0.750 268 E HN 0.225 nan 8.360 nan 0.000 0.458 269 T N 1.736 116.279 114.554 -0.018 0.000 2.674 269 T HA -0.100 4.249 4.350 -0.002 0.000 0.265 269 T C 2.149 176.710 174.700 -0.231 0.000 1.039 269 T CA 1.037 63.098 62.100 -0.066 0.000 1.150 269 T CB -0.266 68.588 68.868 -0.023 0.000 0.864 269 T HN 0.107 nan 8.240 nan 0.000 0.427 270 I N 0.033 120.310 120.570 -0.489 0.000 2.208 270 I HA -0.198 3.971 4.170 -0.002 0.000 0.245 270 I C 2.433 178.306 176.117 -0.407 0.000 1.097 270 I CA 1.335 62.220 61.300 -0.691 0.000 1.363 270 I CB -0.295 37.157 38.000 -0.914 0.000 1.051 270 I HN 0.464 nan 8.210 nan 0.000 0.413 271 W N 2.214 123.170 121.300 -0.573 0.000 2.381 271 W HA -0.216 4.443 4.660 -0.002 0.000 0.301 271 W C 1.935 178.334 176.519 -0.201 0.000 1.205 271 W CA 1.391 58.466 57.345 -0.450 0.000 1.285 271 W CB -0.123 29.087 29.460 -0.417 0.000 1.133 271 W HN 0.203 nan 8.180 nan 0.000 0.521 272 D N 0.536 120.851 120.400 -0.142 0.000 2.123 272 D HA -0.247 4.392 4.640 -0.002 0.000 0.196 272 D C 1.785 177.952 176.300 -0.223 0.000 0.992 272 D CA 1.955 55.859 54.000 -0.160 0.000 0.833 272 D CB -0.544 40.237 40.800 -0.031 0.000 0.954 272 D HN 0.228 nan 8.370 nan 0.000 0.455 273 E N 0.624 120.708 120.200 -0.194 0.000 2.072 273 E HA -0.084 4.265 4.350 -0.002 0.000 0.191 273 E C 2.151 178.604 176.600 -0.244 0.000 0.985 273 E CA 0.605 56.914 56.400 -0.150 0.000 0.801 273 E CB -0.349 29.328 29.700 -0.038 0.000 0.750 273 E HN 0.282 nan 8.360 nan 0.000 0.452 274 I N -0.107 120.245 120.570 -0.364 0.000 2.208 274 I HA -0.368 3.800 4.170 -0.002 0.000 0.245 274 I C 2.243 178.014 176.117 -0.578 0.000 1.097 274 I CA 1.051 62.069 61.300 -0.471 0.000 1.363 274 I CB -0.287 37.352 38.000 -0.602 0.000 1.051 274 I HN 0.283 nan 8.210 nan 0.000 0.413 275 C N 0.473 119.369 119.300 -0.674 0.000 2.440 275 C HA -0.137 4.322 4.460 -0.002 0.000 0.278 275 C C 2.411 177.232 174.990 -0.282 0.000 1.295 275 C CA 0.488 59.229 59.018 -0.462 0.000 1.738 275 C CB -1.039 26.457 27.740 -0.406 0.000 1.987 275 C HN 0.521 nan 8.230 nan 0.000 0.492 276 D N 1.087 121.344 120.400 -0.238 0.000 2.123 276 D HA -0.097 4.541 4.640 -0.002 0.000 0.196 276 D C 1.883 178.069 176.300 -0.191 0.000 0.992 276 D CA 1.181 55.081 54.000 -0.167 0.000 0.833 276 D CB -0.412 40.314 40.800 -0.125 0.000 0.954 276 D HN 0.452 nan 8.370 nan 0.000 0.455 277 I N 0.736 121.161 120.570 -0.240 0.000 2.208 277 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 277 I C 2.436 178.381 176.117 -0.285 0.000 1.097 277 I CA 1.096 62.240 61.300 -0.260 0.000 1.363 277 I CB -0.021 37.801 38.000 -0.296 0.000 1.051 277 I HN -0.092 nan 8.210 nan 0.000 0.413 278 K N 0.595 120.766 120.400 -0.382 0.000 2.062 278 K HA -0.052 4.267 4.320 -0.002 0.000 0.205 278 K C 2.230 178.677 176.600 -0.255 0.000 1.051 278 K CA 1.373 57.391 56.287 -0.448 0.000 0.941 278 K CB -0.291 31.694 32.500 -0.858 0.000 0.719 278 K HN 0.298 nan 8.250 nan 0.000 0.440 279 A N 1.043 123.757 122.820 -0.177 0.000 1.858 279 A HA -0.161 4.157 4.320 -0.002 0.000 0.216 279 A C 2.317 179.848 177.584 -0.089 0.000 1.190 279 A CA 2.382 54.362 52.037 -0.096 0.000 0.617 279 A CB -1.153 17.807 19.000 -0.068 0.000 0.827 279 A HN 0.302 nan 8.150 nan 0.000 0.443 280 T N 0.601 115.093 114.554 -0.103 0.000 2.699 280 T HA -0.141 4.208 4.350 -0.002 0.000 0.268 280 T C 2.077 176.728 174.700 -0.082 0.000 1.036 280 T CA 1.802 63.852 62.100 -0.084 0.000 1.147 280 T CB -0.519 68.295 68.868 -0.091 0.000 0.862 280 T HN 0.639 nan 8.240 nan 0.000 0.446 281 A N 1.186 123.939 122.820 -0.112 0.000 2.125 281 A HA -0.103 4.216 4.320 -0.002 0.000 0.219 281 A C 2.283 179.824 177.584 -0.072 0.000 1.156 281 A CA 0.953 52.929 52.037 -0.102 0.000 0.671 281 A CB -0.346 18.572 19.000 -0.137 0.000 0.794 281 A HN 0.331 nan 8.150 nan 0.000 0.459 282 Q N -0.646 119.117 119.800 -0.062 0.000 2.297 282 Q HA -0.045 4.294 4.340 -0.002 0.000 0.204 282 Q C 1.655 177.641 176.000 -0.024 0.000 0.962 282 Q CA 1.829 57.613 55.803 -0.032 0.000 0.879 282 Q CB -0.603 28.125 28.738 -0.017 0.000 0.947 282 Q HN 0.662 nan 8.270 nan 0.000 0.462 283 T N 0.051 114.587 114.554 -0.029 0.000 3.046 283 T HA 0.011 4.360 4.350 -0.002 0.000 0.242 283 T C 0.228 174.915 174.700 -0.021 0.000 1.018 283 T CA 0.431 62.519 62.100 -0.020 0.000 1.131 283 T CB 0.298 69.156 68.868 -0.017 0.000 0.904 283 T HN 0.080 nan 8.240 nan 0.000 0.459 284 D N 2.115 122.500 120.400 -0.026 0.000 2.469 284 D HA 0.190 4.829 4.640 -0.002 0.000 0.251 284 D C -0.577 175.692 176.300 -0.052 0.000 1.173 284 D CA -0.589 53.400 54.000 -0.019 0.000 0.882 284 D CB 0.534 41.354 40.800 0.033 0.000 1.129 284 D HN 0.157 nan 8.370 nan 0.000 0.549 285 N N 3.321 121.968 118.700 -0.087 0.000 2.351 285 N HA 0.015 4.754 4.740 -0.002 0.000 0.254 285 N C 0.021 175.432 175.510 -0.165 0.000 1.241 285 N CA -0.208 52.778 53.050 -0.107 0.000 0.883 285 N CB 0.552 38.987 38.487 -0.087 0.000 1.202 285 N HN 0.177 nan 8.380 nan 0.000 0.512 286 V N -0.164 119.610 119.914 -0.233 0.000 3.565 286 V HA 0.146 4.265 4.120 -0.002 0.000 0.260 286 V C -0.274 175.520 176.094 -0.501 0.000 1.231 286 V CA 0.509 62.577 62.300 -0.387 0.000 1.100 286 V CB -0.481 31.068 31.823 -0.455 0.000 0.807 286 V HN 0.338 nan 8.190 nan 0.000 0.454 287 H N 0.382 119.396 119.070 -0.094 0.000 2.504 287 H HA 0.450 5.005 4.556 -0.002 0.000 0.322 287 H C 0.329 175.575 175.328 -0.136 0.000 1.055 287 H CA -0.502 55.490 56.048 -0.094 0.000 1.231 287 H CB 0.705 30.421 29.762 -0.076 0.000 1.417 287 H HN 0.100 nan 8.280 nan 0.000 0.472 288 R N 4.897 125.351 120.500 -0.077 0.000 2.421 288 R HA 0.091 4.430 4.340 -0.002 0.000 0.305 288 R C -2.209 173.922 176.300 -0.282 0.000 1.039 288 R CA -1.148 54.837 56.100 -0.191 0.000 1.003 288 R CB 0.277 30.435 30.300 -0.236 0.000 0.959 288 R HN 0.493 nan 8.270 nan 0.000 0.427 289 P HA 0.136 nan 4.420 nan 0.000 0.281 289 P C -0.999 175.945 177.300 -0.594 0.000 1.264 289 P CA -0.419 62.435 63.100 -0.409 0.000 0.824 289 P CB 0.577 31.980 31.700 -0.495 0.000 1.092 290 F N 0.350 120.106 119.950 -0.324 0.000 2.466 290 F HA 0.185 4.711 4.527 -0.002 0.000 0.363 290 F C 0.687 176.353 175.800 -0.223 0.000 1.109 290 F CA 0.078 57.930 58.000 -0.248 0.000 1.161 290 F CB -0.178 38.730 39.000 -0.152 0.000 1.117 290 F HN 0.151 nan 8.300 nan 0.000 0.539 291 Y N 4.273 124.595 120.300 0.035 0.000 2.346 291 Y HA 0.233 4.782 4.550 -0.002 0.000 0.330 291 Y C -1.891 174.180 175.900 0.283 0.000 1.178 291 Y CA -2.524 55.658 58.100 0.137 0.000 1.331 291 Y CB -0.043 38.514 38.460 0.161 0.000 1.253 291 Y HN 0.413 nan 8.280 nan 0.000 0.529 292 P HA 0.010 nan 4.420 nan 0.000 0.266 292 P C -0.805 176.681 177.300 0.311 0.000 1.195 292 P CA 0.062 63.377 63.100 0.358 0.000 0.768 292 P CB 0.466 32.248 31.700 0.137 0.000 0.838 293 M N 2.600 122.332 119.600 0.221 0.000 2.572 293 M HA 0.682 5.161 4.480 -0.002 0.000 0.299 293 M C -1.816 174.472 176.300 -0.019 0.000 1.205 293 M CA -1.050 54.231 55.300 -0.031 0.000 0.876 293 M CB 1.661 34.014 32.600 -0.413 0.000 1.728 293 M HN 0.016 nan 8.290 nan 0.000 0.458 294 L N 2.810 124.003 121.223 -0.050 0.000 2.333 294 L HA 0.735 5.074 4.340 -0.002 0.000 0.280 294 L C -1.726 175.182 176.870 0.064 0.000 1.004 294 L CA -0.489 54.384 54.840 0.056 0.000 0.820 294 L CB 1.311 43.427 42.059 0.094 0.000 1.247 294 L HN 0.863 nan 8.230 nan 0.000 0.416 295 I N 5.656 126.290 120.570 0.107 0.000 2.297 295 I HA 0.216 4.385 4.170 -0.002 0.000 0.291 295 I C -0.953 175.377 176.117 0.356 0.000 1.033 295 I CA -0.081 61.319 61.300 0.166 0.000 1.253 295 I CB 0.634 38.701 38.000 0.111 0.000 1.396 295 I HN 0.529 nan 8.210 nan 0.000 0.476 296 F N 7.571 127.658 119.950 0.228 0.000 2.308 296 F HA 0.429 4.955 4.527 -0.001 0.000 0.370 296 F C 0.166 176.116 175.800 0.250 0.000 1.100 296 F CA -0.587 57.589 58.000 0.293 0.000 1.108 296 F CB 0.382 39.545 39.000 0.271 0.000 1.293 296 F HN 0.334 nan 8.300 nan 0.000 0.478 297 R N 5.007 125.458 120.500 -0.081 0.000 2.272 297 R HA 0.460 4.799 4.340 -0.002 0.000 0.323 297 R C -1.062 175.134 176.300 -0.174 0.000 1.002 297 R CA -0.059 56.002 56.100 -0.065 0.000 0.900 297 R CB 0.682 30.977 30.300 -0.009 0.000 1.151 297 R HN 0.779 nan 8.270 nan 0.000 0.507 298 T N 1.101 115.493 114.554 -0.270 0.000 2.864 298 T HA 0.535 4.884 4.350 -0.002 0.000 0.299 298 T C -2.953 171.392 174.700 -0.591 0.000 1.166 298 T CA -2.346 59.317 62.100 -0.728 0.000 1.007 298 T CB 2.257 70.384 68.868 -1.234 0.000 1.219 298 T HN 0.211 nan 8.240 nan 0.000 0.506 299 P HA 0.306 nan 4.420 nan 0.000 0.276 299 P C -0.559 176.657 177.300 -0.140 0.000 1.230 299 P CA -0.537 62.200 63.100 -0.605 0.000 0.776 299 P CB 0.411 31.654 31.700 -0.761 0.000 0.888 300 K N 2.330 122.763 120.400 0.055 0.000 2.448 300 K HA 0.279 4.598 4.320 -0.002 0.000 0.278 300 K C 1.173 177.849 176.600 0.127 0.000 1.009 300 K CA 0.946 57.308 56.287 0.124 0.000 0.995 300 K CB -0.589 32.045 32.500 0.224 0.000 0.917 300 K HN 0.743 nan 8.250 nan 0.000 0.481 301 G N 3.540 112.429 108.800 0.148 0.000 2.179 301 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.260 301 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.260 301 G C -0.307 174.905 174.900 0.521 0.000 0.977 301 G CA -0.018 45.262 45.100 0.299 0.000 0.641 301 G HN 0.784 nan 8.290 nan 0.000 0.533 302 W N 1.885 123.273 121.300 0.148 0.000 2.568 302 W HA 0.178 4.837 4.660 -0.002 0.000 0.341 302 W C 1.586 178.316 176.519 0.350 0.000 1.009 302 W CA 2.513 59.962 57.345 0.172 0.000 1.098 302 W CB -0.725 28.833 29.460 0.163 0.000 1.095 302 W HN 1.569 nan 8.180 nan 0.000 0.566 303 T N -0.357 114.509 114.554 0.519 0.000 5.695 303 T HA -0.284 4.065 4.350 -0.002 0.000 0.271 303 T C 0.700 175.542 174.700 0.236 0.000 2.205 303 T CA 0.443 62.725 62.100 0.304 0.000 3.761 303 T CB -2.568 66.396 68.868 0.159 0.000 0.610 303 T HN 1.273 nan 8.240 nan 0.000 0.922 304 C N 2.247 121.687 119.300 0.233 0.000 2.705 304 C HA 0.709 5.168 4.460 -0.002 0.000 0.365 304 C C -1.838 172.807 174.990 -0.575 0.000 1.353 304 C CA -1.600 57.078 59.018 -0.567 0.000 2.339 304 C CB -0.548 26.853 27.740 -0.564 0.000 2.576 304 C HN 0.476 nan 8.230 nan 0.000 0.716 305 P HA 0.085 nan 4.420 nan 0.000 0.261 305 P C 0.298 177.405 177.300 -0.321 0.000 1.173 305 P CA 0.533 63.355 63.100 -0.464 0.000 0.760 305 P CB 0.320 31.743 31.700 -0.462 0.000 0.783 306 K N 1.900 122.181 120.400 -0.199 0.000 2.057 306 K HA -0.110 4.208 4.320 -0.002 0.000 0.207 306 K C 0.089 176.395 176.600 -0.490 0.000 1.049 306 K CA 1.500 57.643 56.287 -0.241 0.000 0.931 306 K CB -0.132 32.336 32.500 -0.054 0.000 0.714 306 K HN 0.493 nan 8.250 nan 0.000 0.440 307 Y N -0.757 119.457 120.300 -0.143 0.000 2.524 307 Y HA 0.465 5.014 4.550 -0.001 0.000 0.347 307 Y C -0.517 175.297 175.900 -0.142 0.000 1.005 307 Y CA -1.075 56.945 58.100 -0.132 0.000 1.025 307 Y CB 1.860 40.263 38.460 -0.094 0.000 1.275 307 Y HN -0.200 nan 8.280 nan 0.000 0.460 308 I N 2.628 123.202 120.570 0.006 0.000 2.548 308 I HA 0.222 4.391 4.170 -0.002 0.000 0.287 308 I C -1.118 175.012 176.117 0.021 0.000 1.103 308 I CA -0.838 60.449 61.300 -0.023 0.000 1.049 308 I CB 2.017 39.947 38.000 -0.116 0.000 1.232 308 I HN 0.703 nan 8.210 nan 0.000 0.429 309 D N 4.939 125.372 120.400 0.054 0.000 2.708 309 D HA -0.185 4.454 4.640 -0.002 0.000 0.236 309 D C 1.226 177.555 176.300 0.048 0.000 1.146 309 D CA 1.659 55.696 54.000 0.062 0.000 0.662 309 D CB -0.876 39.978 40.800 0.090 0.000 1.059 309 D HN 1.190 nan 8.370 nan 0.000 0.428 310 G N -0.760 108.075 108.800 0.058 0.000 2.186 310 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.266 310 G HA3 -0.381 3.578 3.960 -0.002 0.000 0.266 310 G C 0.284 175.273 174.900 0.148 0.000 0.982 310 G CA 1.034 46.169 45.100 0.059 0.000 0.670 310 G HN 0.437 nan 8.290 nan 0.000 0.533 311 K N 0.275 120.748 120.400 0.122 0.000 2.123 311 K HA 0.464 4.783 4.320 -0.002 0.000 0.259 311 K C 0.198 176.770 176.600 -0.047 0.000 0.960 311 K CA -0.944 55.371 56.287 0.047 0.000 0.872 311 K CB 1.797 34.248 32.500 -0.082 0.000 1.079 311 K HN 0.297 nan 8.250 nan 0.000 0.440 312 K N 1.340 121.611 120.400 -0.215 0.000 2.339 312 K HA 0.075 4.393 4.320 -0.002 0.000 0.286 312 K C -0.207 176.065 176.600 -0.547 0.000 1.050 312 K CA 0.289 56.184 56.287 -0.653 0.000 0.956 312 K CB 0.609 32.813 32.500 -0.495 0.000 0.990 312 K HN 0.528 nan 8.250 nan 0.000 0.475 313 T N 2.600 116.826 114.554 -0.546 0.000 3.238 313 T HA -0.003 4.346 4.350 -0.002 0.000 0.242 313 T C -0.288 174.224 174.700 -0.312 0.000 0.980 313 T CA -0.124 61.737 62.100 -0.399 0.000 1.235 313 T CB -0.022 68.647 68.868 -0.331 0.000 1.069 313 T HN 0.663 nan 8.240 nan 0.000 0.407 314 E N 1.166 121.199 120.200 -0.277 0.000 2.465 314 E HA 0.293 4.642 4.350 -0.002 0.000 0.260 314 E C 0.529 177.014 176.600 -0.191 0.000 0.980 314 E CA 0.621 56.928 56.400 -0.154 0.000 0.927 314 E CB 0.159 29.793 29.700 -0.110 0.000 0.934 314 E HN 0.633 nan 8.360 nan 0.000 0.459 315 G N 2.894 111.624 108.800 -0.117 0.000 2.272 315 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.280 315 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.280 315 G C -0.134 174.646 174.900 -0.201 0.000 1.067 315 G CA 0.626 45.693 45.100 -0.055 0.000 0.902 315 G HN 0.551 nan 8.290 nan 0.000 0.500 316 S N -1.211 114.241 115.700 -0.413 0.000 2.570 316 S HA 0.604 5.073 4.470 -0.002 0.000 0.270 316 S C 1.140 175.303 174.600 -0.728 0.000 1.149 316 S CA 0.017 57.653 58.200 -0.939 0.000 0.837 316 S CB 0.403 63.087 63.200 -0.859 0.000 1.124 316 S HN 0.970 nan 8.310 nan 0.000 0.465 317 W N 2.897 123.758 121.300 -0.731 0.000 2.387 317 W HA -0.053 4.605 4.660 -0.002 0.000 0.272 317 W C 1.118 177.613 176.519 -0.040 0.000 1.224 317 W CA 0.476 57.721 57.345 -0.166 0.000 1.210 317 W CB -0.883 28.534 29.460 -0.072 0.000 1.125 317 W HN 0.684 nan 8.180 nan 0.000 0.572 318 R N 1.443 121.507 120.500 -0.726 0.000 2.170 318 R HA -0.151 4.188 4.340 -0.002 0.000 0.242 318 R C 2.321 178.561 176.300 -0.099 0.000 1.145 318 R CA 2.119 57.942 56.100 -0.461 0.000 0.984 318 R CB -0.546 29.321 30.300 -0.722 0.000 0.869 318 R HN 0.233 nan 8.270 nan 0.000 0.455 319 S N -0.808 114.875 115.700 -0.029 0.000 2.631 319 S HA -0.054 4.415 4.470 -0.002 0.000 0.217 319 S C 1.392 176.159 174.600 0.278 0.000 0.958 319 S CA 0.248 58.539 58.200 0.152 0.000 0.920 319 S CB -0.080 63.240 63.200 0.200 0.000 0.776 319 S HN 0.430 nan 8.310 nan 0.000 0.517 320 H N 1.611 120.805 119.070 0.207 0.000 2.290 320 H HA -0.061 4.493 4.556 -0.002 0.000 0.298 320 H C 2.217 177.737 175.328 0.320 0.000 1.087 320 H CA 2.478 58.689 56.048 0.272 0.000 1.291 320 H CB -0.106 29.822 29.762 0.276 0.000 1.369 320 H HN 0.448 nan 8.280 nan 0.000 0.492 321 Q N 0.429 120.297 119.800 0.114 0.000 2.010 321 Q HA 0.122 4.461 4.340 -0.002 0.000 0.215 321 Q C -0.042 175.984 176.000 0.043 0.000 0.984 321 Q CA 1.032 56.787 55.803 -0.080 0.000 0.853 321 Q CB 0.194 28.899 28.738 -0.056 0.000 0.922 321 Q HN 0.298 nan 8.270 nan 0.000 0.478 322 V N -0.079 119.875 119.914 0.066 0.000 2.555 322 V HA 0.381 4.500 4.120 -0.002 0.000 0.302 322 V C -2.025 174.153 176.094 0.141 0.000 1.038 322 V CA -1.525 60.869 62.300 0.157 0.000 0.887 322 V CB 1.337 33.200 31.823 0.067 0.000 0.991 322 V HN 0.316 nan 8.190 nan 0.000 0.434 323 P HA 0.021 nan 4.420 nan 0.000 0.222 323 P C 0.236 177.494 177.300 -0.070 0.000 1.153 323 P CA 0.618 63.698 63.100 -0.034 0.000 0.798 323 P CB 0.420 31.995 31.700 -0.208 0.000 0.796 324 L N -0.284 120.958 121.223 0.032 0.000 2.283 324 L HA 0.591 4.929 4.340 -0.002 0.000 0.281 324 L C 1.264 178.174 176.870 0.067 0.000 1.033 324 L CA -0.882 53.953 54.840 -0.009 0.000 0.848 324 L CB 0.497 42.566 42.059 0.017 0.000 1.226 324 L HN -0.172 nan 8.230 nan 0.000 0.429 325 A N 3.174 125.960 122.820 -0.058 0.000 2.067 325 A HA 0.126 4.445 4.320 -0.002 0.000 0.219 325 A C 1.002 178.585 177.584 -0.001 0.000 1.158 325 A CA 1.197 53.219 52.037 -0.024 0.000 0.661 325 A CB -0.197 18.780 19.000 -0.037 0.000 0.801 325 A HN 0.709 nan 8.150 nan 0.000 0.452 326 S N -3.014 112.679 115.700 -0.011 0.000 2.543 326 S HA 0.543 5.012 4.470 -0.002 0.000 0.273 326 S C -0.287 174.380 174.600 0.112 0.000 1.152 326 S CA 0.120 58.360 58.200 0.067 0.000 0.910 326 S CB 1.448 64.692 63.200 0.073 0.000 1.105 326 S HN 0.985 nan 8.310 nan 0.000 0.465 327 A N 4.099 127.041 122.820 0.204 0.000 2.465 327 A HA 0.437 4.756 4.320 -0.002 0.000 0.255 327 A C 1.298 179.040 177.584 0.263 0.000 1.274 327 A CA -0.230 51.952 52.037 0.242 0.000 0.920 327 A CB -0.037 19.096 19.000 0.222 0.000 1.033 327 A HN 0.774 nan 8.150 nan 0.000 0.516 328 R N -0.419 120.185 120.500 0.174 0.000 2.435 328 R HA 0.021 4.360 4.340 -0.002 0.000 0.221 328 R C 0.907 177.253 176.300 0.077 0.000 0.885 328 R CA 0.739 56.890 56.100 0.085 0.000 1.018 328 R CB 0.225 30.554 30.300 0.047 0.000 1.259 328 R HN 0.534 nan 8.270 nan 0.000 0.597 329 D N 0.669 121.146 120.400 0.128 0.000 2.183 329 D HA -0.082 4.557 4.640 -0.002 0.000 0.203 329 D C 0.780 177.119 176.300 0.064 0.000 0.969 329 D CA 1.157 55.221 54.000 0.106 0.000 0.842 329 D CB 0.013 40.897 40.800 0.139 0.000 0.957 329 D HN 0.120 nan 8.370 nan 0.000 0.484 330 T N -3.972 110.624 114.554 0.069 0.000 2.864 330 T HA 0.420 4.769 4.350 -0.002 0.000 0.299 330 T C 0.477 175.186 174.700 0.016 0.000 1.166 330 T CA -0.624 61.456 62.100 -0.033 0.000 1.007 330 T CB 2.344 71.079 68.868 -0.221 0.000 1.219 330 T HN -0.131 nan 8.240 nan 0.000 0.506 331 E N 1.103 121.298 120.200 -0.008 0.000 2.150 331 E HA 0.066 4.415 4.350 -0.002 0.000 0.193 331 E C 2.141 178.784 176.600 0.073 0.000 0.985 331 E CA 1.741 58.167 56.400 0.045 0.000 0.814 331 E CB -0.705 28.998 29.700 0.005 0.000 0.752 331 E HN 0.776 nan 8.360 nan 0.000 0.466 332 A N -0.143 122.664 122.820 -0.021 0.000 1.898 332 A HA -0.188 4.131 4.320 -0.002 0.000 0.216 332 A C 1.934 179.555 177.584 0.063 0.000 1.181 332 A CA 1.761 53.784 52.037 -0.023 0.000 0.620 332 A CB -0.932 18.003 19.000 -0.109 0.000 0.819 332 A HN 0.515 nan 8.150 nan 0.000 0.442 333 H N -2.732 116.365 119.070 0.045 0.000 2.357 333 H HA -0.101 4.454 4.556 -0.002 0.000 0.301 333 H C 1.912 177.269 175.328 0.048 0.000 1.082 333 H CA 1.373 57.444 56.048 0.039 0.000 1.342 333 H CB -0.162 29.635 29.762 0.059 0.000 1.389 333 H HN 0.606 nan 8.280 nan 0.000 0.511 334 F N 2.001 121.997 119.950 0.077 0.000 2.171 334 F HA -0.180 4.346 4.527 -0.002 0.000 0.300 334 F C 2.116 177.904 175.800 -0.020 0.000 1.090 334 F CA 1.029 59.019 58.000 -0.016 0.000 1.293 334 F CB 0.172 39.122 39.000 -0.083 0.000 1.013 334 F HN 0.058 nan 8.300 nan 0.000 0.486 335 E N 0.159 120.341 120.200 -0.030 0.000 2.150 335 E HA -0.128 4.221 4.350 -0.002 0.000 0.193 335 E C 2.529 179.058 176.600 -0.119 0.000 0.985 335 E CA 1.118 57.459 56.400 -0.099 0.000 0.814 335 E CB -0.657 29.050 29.700 0.011 0.000 0.752 335 E HN 0.364 nan 8.360 nan 0.000 0.466 336 V N 1.673 121.547 119.914 -0.066 0.000 2.261 336 V HA -0.253 3.865 4.120 -0.002 0.000 0.246 336 V C 2.483 178.522 176.094 -0.092 0.000 1.047 336 V CA 1.585 63.845 62.300 -0.067 0.000 1.015 336 V CB -0.607 31.195 31.823 -0.036 0.000 0.642 336 V HN 0.182 nan 8.190 nan 0.000 0.446 337 L N 0.458 121.578 121.223 -0.171 0.000 2.012 337 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 337 L C 2.450 179.180 176.870 -0.232 0.000 1.073 337 L CA 2.313 57.004 54.840 -0.247 0.000 0.748 337 L CB -0.855 40.961 42.059 -0.406 0.000 0.891 337 L HN 0.280 nan 8.230 nan 0.000 0.431 338 K N -0.502 119.700 120.400 -0.330 0.000 2.032 338 K HA -0.228 4.091 4.320 -0.002 0.000 0.209 338 K C 1.913 178.473 176.600 -0.067 0.000 1.048 338 K CA 2.176 58.367 56.287 -0.159 0.000 0.927 338 K CB -0.233 32.115 32.500 -0.253 0.000 0.712 338 K HN 0.518 nan 8.250 nan 0.000 0.441 339 N N -0.374 118.288 118.700 -0.065 0.000 2.166 339 N HA -0.190 4.549 4.740 -0.002 0.000 0.186 339 N C 1.368 176.883 175.510 0.007 0.000 1.019 339 N CA 1.282 54.313 53.050 -0.032 0.000 0.856 339 N CB -0.201 38.261 38.487 -0.042 0.000 0.993 339 N HN 0.332 nan 8.380 nan 0.000 0.426 340 W N 1.865 123.022 121.300 -0.238 0.000 2.355 340 W HA 0.001 4.661 4.660 -0.001 0.000 0.309 340 W C 1.527 177.915 176.519 -0.218 0.000 1.206 340 W CA 0.950 58.124 57.345 -0.284 0.000 1.284 340 W CB -0.818 28.433 29.460 -0.348 0.000 1.145 340 W HN 0.019 nan 8.180 nan 0.000 0.502 341 L N 0.449 121.591 121.223 -0.135 0.000 2.046 341 L HA -0.232 4.107 4.340 -0.002 0.000 0.208 341 L C 2.422 179.372 176.870 0.132 0.000 1.077 341 L CA 1.989 56.745 54.840 -0.141 0.000 0.747 341 L CB -0.943 40.951 42.059 -0.276 0.000 0.896 341 L HN -0.023 nan 8.230 nan 0.000 0.432 342 E N -0.174 120.049 120.200 0.039 0.000 2.204 342 E HA -0.194 4.155 4.350 -0.002 0.000 0.195 342 E C 2.208 178.791 176.600 -0.028 0.000 0.990 342 E CA 1.375 57.793 56.400 0.030 0.000 0.821 342 E CB -0.109 29.588 29.700 -0.004 0.000 0.750 342 E HN 0.566 nan 8.360 nan 0.000 0.477 343 S N 0.210 115.820 115.700 -0.149 0.000 2.442 343 S HA -0.168 4.301 4.470 -0.002 0.000 0.236 343 S C 1.540 175.929 174.600 -0.352 0.000 1.007 343 S CA 0.711 58.743 58.200 -0.279 0.000 0.965 343 S CB -0.406 62.563 63.200 -0.384 0.000 0.773 343 S HN 0.287 nan 8.310 nan 0.000 0.504 344 Y N 1.671 121.988 120.300 0.028 0.000 2.546 344 Y HA 0.322 4.871 4.550 -0.002 0.000 0.287 344 Y C 0.773 176.660 175.900 -0.022 0.000 1.158 344 Y CA -0.452 57.651 58.100 0.005 0.000 1.307 344 Y CB -0.580 37.914 38.460 0.058 0.000 1.036 344 Y HN 0.170 nan 8.280 nan 0.000 0.532 345 K N -0.388 120.053 120.400 0.068 0.000 3.653 345 K HA -0.183 4.136 4.320 -0.002 0.000 0.275 345 K C -2.342 174.249 176.600 -0.015 0.000 0.962 345 K CA 0.321 56.617 56.287 0.016 0.000 0.773 345 K CB -0.829 31.672 32.500 0.000 0.000 1.463 345 K HN 0.280 nan 8.250 nan 0.000 0.450 346 P HA -0.264 nan 4.420 nan 0.000 0.219 346 P C 1.256 178.558 177.300 0.004 0.000 1.146 346 P CA 1.524 64.539 63.100 -0.142 0.000 0.808 346 P CB 0.093 31.493 31.700 -0.499 0.000 0.779 347 E N 1.454 121.642 120.200 -0.020 0.000 2.219 347 E HA -0.222 4.127 4.350 -0.002 0.000 0.198 347 E C 1.279 177.879 176.600 0.000 0.000 0.998 347 E CA 1.382 57.782 56.400 -0.001 0.000 0.818 347 E CB -0.917 28.775 29.700 -0.013 0.000 0.741 347 E HN 0.417 nan 8.360 nan 0.000 0.477 348 E N 0.105 120.293 120.200 -0.020 0.000 2.442 348 E HA 0.145 4.494 4.350 -0.002 0.000 0.195 348 E C 1.986 178.542 176.600 -0.075 0.000 1.030 348 E CA 0.117 56.496 56.400 -0.034 0.000 0.869 348 E CB 0.207 29.890 29.700 -0.029 0.000 0.857 348 E HN 0.275 nan 8.360 nan 0.000 0.505 349 L N -0.599 120.550 121.223 -0.124 0.000 2.470 349 L HA 0.221 4.560 4.340 -0.002 0.000 0.219 349 L C 0.142 176.736 176.870 -0.459 0.000 1.071 349 L CA 0.024 54.677 54.840 -0.312 0.000 0.850 349 L CB 0.406 42.185 42.059 -0.466 0.000 1.040 349 L HN -0.017 nan 8.230 nan 0.000 0.475 350 F N 0.684 120.560 119.950 -0.123 0.000 2.480 350 F HA 0.268 4.794 4.527 -0.002 0.000 0.329 350 F C 0.384 176.135 175.800 -0.080 0.000 1.091 350 F CA -1.658 56.279 58.000 -0.105 0.000 0.972 350 F CB 0.979 39.901 39.000 -0.129 0.000 1.150 350 F HN -0.051 nan 8.300 nan 0.000 0.467 351 D N 1.456 121.921 120.400 0.108 0.000 2.398 351 D HA 0.247 4.886 4.640 -0.002 0.000 0.247 351 D C 1.118 177.446 176.300 0.046 0.000 1.227 351 D CA -0.263 53.767 54.000 0.050 0.000 0.980 351 D CB 0.568 41.378 40.800 0.016 0.000 1.106 351 D HN 0.561 nan 8.370 nan 0.000 0.493 352 A N 0.516 123.346 122.820 0.016 0.000 1.986 352 A HA -0.293 4.026 4.320 -0.002 0.000 0.220 352 A C 1.908 179.490 177.584 -0.004 0.000 1.171 352 A CA 2.101 54.139 52.037 0.002 0.000 0.640 352 A CB -1.100 17.898 19.000 -0.004 0.000 0.811 352 A HN 0.697 nan 8.150 nan 0.000 0.451 353 N N -1.066 117.636 118.700 0.003 0.000 2.515 353 N HA 0.145 4.884 4.740 -0.002 0.000 0.185 353 N C 1.010 176.519 175.510 -0.002 0.000 1.109 353 N CA 1.379 54.427 53.050 -0.002 0.000 0.903 353 N CB -0.086 38.400 38.487 -0.001 0.000 0.969 353 N HN 0.664 nan 8.380 nan 0.000 0.450 354 G N -1.558 107.252 108.800 0.017 0.000 2.141 354 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.242 354 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.242 354 G C 0.064 175.059 174.900 0.160 0.000 0.982 354 G CA 0.225 45.329 45.100 0.007 0.000 0.662 354 G HN 0.655 nan 8.290 nan 0.000 0.527 355 A N -0.177 122.732 122.820 0.150 0.000 2.310 355 A HA 0.775 5.094 4.320 -0.002 0.000 0.299 355 A C 0.669 178.323 177.584 0.116 0.000 1.147 355 A CA -0.071 52.042 52.037 0.127 0.000 0.818 355 A CB 1.278 20.289 19.000 0.018 0.000 1.096 355 A HN 1.156 nan 8.150 nan 0.000 0.495 356 V N 3.777 123.685 119.914 -0.010 0.000 2.585 356 V HA 0.016 4.135 4.120 -0.002 0.000 0.296 356 V C 0.790 176.775 176.094 -0.182 0.000 1.035 356 V CA 0.041 62.176 62.300 -0.276 0.000 1.084 356 V CB 0.320 31.971 31.823 -0.285 0.000 0.953 356 V HN 0.888 nan 8.190 nan 0.000 0.483 357 K N 3.473 123.756 120.400 -0.194 0.000 2.380 357 K HA 0.039 4.358 4.320 -0.002 0.000 0.267 357 K C 0.620 177.161 176.600 -0.098 0.000 0.990 357 K CA -0.436 55.782 56.287 -0.114 0.000 0.946 357 K CB 0.456 32.897 32.500 -0.098 0.000 0.937 357 K HN 0.567 nan 8.250 nan 0.000 0.491 358 D N 1.866 122.223 120.400 -0.072 0.000 2.123 358 D HA -0.185 4.454 4.640 -0.002 0.000 0.196 358 D C 1.372 177.646 176.300 -0.042 0.000 0.992 358 D CA 1.543 55.506 54.000 -0.062 0.000 0.833 358 D CB -0.168 40.601 40.800 -0.052 0.000 0.954 358 D HN 0.656 nan 8.370 nan 0.000 0.455 359 D N 0.361 120.741 120.400 -0.033 0.000 2.350 359 D HA -0.095 4.544 4.640 -0.002 0.000 0.216 359 D C 1.767 178.076 176.300 0.015 0.000 0.968 359 D CA 0.310 54.304 54.000 -0.010 0.000 0.894 359 D CB -0.289 40.502 40.800 -0.015 0.000 0.909 359 D HN 0.124 nan 8.370 nan 0.000 0.520 360 V N 0.123 120.035 119.914 -0.005 0.000 2.788 360 V HA -0.011 4.108 4.120 -0.002 0.000 0.251 360 V C 2.241 178.439 176.094 0.173 0.000 1.068 360 V CA 0.858 63.180 62.300 0.036 0.000 1.090 360 V CB -0.161 31.618 31.823 -0.074 0.000 0.710 360 V HN 0.233 nan 8.190 nan 0.000 0.467 361 L N -0.612 120.646 121.223 0.059 0.000 2.858 361 L HA 0.365 4.704 4.340 -0.002 0.000 0.251 361 L C 2.267 179.040 176.870 -0.162 0.000 1.149 361 L CA 0.544 55.349 54.840 -0.057 0.000 0.955 361 L CB -0.154 41.835 42.059 -0.117 0.000 1.289 361 L HN 0.232 nan 8.230 nan 0.000 0.542 362 A N 1.130 123.939 122.820 -0.017 0.000 2.019 362 A HA -0.222 4.097 4.320 -0.002 0.000 0.219 362 A C 1.979 179.532 177.584 -0.052 0.000 1.164 362 A CA 1.433 53.446 52.037 -0.041 0.000 0.644 362 A CB -0.672 18.331 19.000 0.005 0.000 0.805 362 A HN 0.572 nan 8.150 nan 0.000 0.449 363 F N -1.343 118.554 119.950 -0.090 0.000 2.546 363 F HA 0.207 4.733 4.527 -0.002 0.000 0.298 363 F C 0.885 176.610 175.800 -0.126 0.000 1.120 363 F CA -0.165 57.768 58.000 -0.112 0.000 1.456 363 F CB -0.401 38.516 39.000 -0.138 0.000 1.088 363 F HN -0.045 nan 8.300 nan 0.000 0.572 364 M N 2.402 121.459 119.600 -0.905 0.000 2.202 364 M HA 0.259 4.738 4.480 -0.002 0.000 0.316 364 M C -2.031 174.028 176.300 -0.402 0.000 1.138 364 M CA -1.707 53.073 55.300 -0.867 0.000 1.151 364 M CB -0.012 32.153 32.600 -0.726 0.000 1.422 364 M HN -0.116 nan 8.290 nan 0.000 0.471 365 P HA 0.221 nan 4.420 nan 0.000 0.274 365 P C -1.040 176.157 177.300 -0.173 0.000 1.237 365 P CA -0.154 62.823 63.100 -0.204 0.000 0.793 365 P CB 0.771 32.370 31.700 -0.169 0.000 0.977 366 K N 0.450 120.770 120.400 -0.134 0.000 2.221 366 K HA 0.561 4.880 4.320 -0.002 0.000 0.243 366 K C 0.782 177.330 176.600 -0.087 0.000 0.968 366 K CA -0.294 55.927 56.287 -0.110 0.000 0.846 366 K CB 1.374 33.813 32.500 -0.100 0.000 1.141 366 K HN 0.847 nan 8.250 nan 0.000 0.434 367 G N 1.891 110.645 108.800 -0.077 0.000 2.566 367 G HA2 -0.396 3.563 3.960 -0.002 0.000 0.280 367 G HA3 -0.396 3.563 3.960 -0.002 0.000 0.280 367 G C 0.717 175.586 174.900 -0.051 0.000 1.225 367 G CA 0.687 45.751 45.100 -0.061 0.000 0.966 367 G HN 0.865 nan 8.290 nan 0.000 0.560 368 E N 0.506 120.682 120.200 -0.040 0.000 2.478 368 E HA 0.149 4.498 4.350 -0.002 0.000 0.198 368 E C 2.381 178.965 176.600 -0.027 0.000 1.046 368 E CA 0.919 57.303 56.400 -0.027 0.000 0.870 368 E CB -0.107 29.583 29.700 -0.016 0.000 0.818 368 E HN 0.548 nan 8.360 nan 0.000 0.527 369 L N 0.718 121.914 121.223 -0.045 0.000 2.341 369 L HA 0.081 4.419 4.340 -0.002 0.000 0.214 369 L C 1.225 178.066 176.870 -0.049 0.000 1.115 369 L CA 0.049 54.858 54.840 -0.051 0.000 0.820 369 L CB -0.142 41.869 42.059 -0.079 0.000 0.944 369 L HN -0.003 nan 8.230 nan 0.000 0.452 370 R N 0.436 120.904 120.500 -0.053 0.000 2.566 370 R HA -0.061 4.278 4.340 -0.002 0.000 0.273 370 R C 1.381 177.679 176.300 -0.004 0.000 0.981 370 R CA -0.108 55.964 56.100 -0.047 0.000 1.091 370 R CB 0.479 30.749 30.300 -0.050 0.000 0.924 370 R HN 0.158 nan 8.270 nan 0.000 0.411 371 I N 1.713 122.290 120.570 0.011 0.000 2.194 371 I HA -0.284 3.884 4.170 -0.002 0.000 0.246 371 I C 2.164 178.346 176.117 0.108 0.000 1.093 371 I CA 1.975 63.315 61.300 0.065 0.000 1.355 371 I CB -0.445 37.603 38.000 0.080 0.000 1.046 371 I HN 0.872 nan 8.210 nan 0.000 0.413 372 G N -0.333 108.528 108.800 0.102 0.000 2.623 372 G HA2 0.101 4.060 3.960 -0.002 0.000 0.214 372 G HA3 0.101 4.060 3.960 -0.002 0.000 0.214 372 G C 1.569 176.504 174.900 0.059 0.000 1.138 372 G CA 0.623 45.795 45.100 0.119 0.000 0.794 372 G HN 0.490 nan 8.290 nan 0.000 0.535 373 A N -0.031 122.805 122.820 0.027 0.000 2.220 373 A HA 0.231 4.550 4.320 -0.002 0.000 0.211 373 A C 1.167 178.766 177.584 0.026 0.000 1.176 373 A CA -0.342 51.698 52.037 0.006 0.000 0.834 373 A CB -0.162 18.824 19.000 -0.023 0.000 0.868 373 A HN 0.262 nan 8.150 nan 0.000 0.488 374 N N 1.500 120.224 118.700 0.039 0.000 2.411 374 N HA 0.007 4.746 4.740 -0.002 0.000 0.261 374 N C -1.604 173.941 175.510 0.058 0.000 1.248 374 N CA -0.882 52.193 53.050 0.042 0.000 0.885 374 N CB 1.164 39.679 38.487 0.047 0.000 1.062 374 N HN 0.116 nan 8.380 nan 0.000 0.471 375 P HA -0.125 nan 4.420 nan 0.000 0.221 375 P C 0.600 177.934 177.300 0.056 0.000 1.145 375 P CA 1.058 64.191 63.100 0.054 0.000 0.795 375 P CB 0.348 32.071 31.700 0.038 0.000 0.775 376 N N 0.375 119.106 118.700 0.051 0.000 2.289 376 N HA -0.080 4.659 4.740 -0.002 0.000 0.184 376 N C 1.639 177.185 175.510 0.061 0.000 1.016 376 N CA 1.154 54.232 53.050 0.046 0.000 0.872 376 N CB -0.252 38.262 38.487 0.046 0.000 0.973 376 N HN 0.151 nan 8.380 nan 0.000 0.433 377 A N 0.336 123.209 122.820 0.088 0.000 2.235 377 A HA -0.000 4.318 4.320 -0.002 0.000 0.208 377 A C 0.910 178.591 177.584 0.162 0.000 1.172 377 A CA 0.532 52.645 52.037 0.125 0.000 0.786 377 A CB 0.006 19.096 19.000 0.149 0.000 0.804 377 A HN 0.122 nan 8.150 nan 0.000 0.479 378 N N -0.831 117.950 118.700 0.135 0.000 2.687 378 N HA 0.180 4.919 4.740 -0.002 0.000 0.275 378 N C 0.990 176.554 175.510 0.091 0.000 1.789 378 N CA 0.435 53.574 53.050 0.147 0.000 0.806 378 N CB -0.005 38.596 38.487 0.190 0.000 1.256 378 N HN 0.051 nan 8.380 nan 0.000 0.500 379 G N -0.325 108.513 108.800 0.064 0.000 2.479 379 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.220 379 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.220 379 G C 1.302 176.207 174.900 0.010 0.000 1.115 379 G CA 0.882 45.993 45.100 0.019 0.000 0.757 379 G HN 0.455 nan 8.290 nan 0.000 0.560 380 G N 0.612 109.429 108.800 0.028 0.000 2.470 380 G HA2 -0.112 3.847 3.960 -0.002 0.000 0.220 380 G HA3 -0.112 3.847 3.960 -0.002 0.000 0.220 380 G C 1.841 176.760 174.900 0.032 0.000 1.121 380 G CA 1.480 46.594 45.100 0.023 0.000 0.766 380 G HN 0.815 nan 8.290 nan 0.000 0.553 381 V N -1.588 118.352 119.914 0.042 0.000 2.970 381 V HA 0.140 4.259 4.120 -0.002 0.000 0.260 381 V C 2.297 178.412 176.094 0.034 0.000 1.100 381 V CA 1.196 63.522 62.300 0.043 0.000 1.122 381 V CB -0.256 31.598 31.823 0.051 0.000 0.721 381 V HN 0.368 nan 8.190 nan 0.000 0.483 382 I N -0.569 120.015 120.570 0.024 0.000 2.867 382 I HA 0.149 4.318 4.170 -0.002 0.000 0.265 382 I C 1.676 177.805 176.117 0.021 0.000 1.162 382 I CA 0.019 61.331 61.300 0.019 0.000 1.471 382 I CB 0.009 38.011 38.000 0.004 0.000 1.123 382 I HN 0.174 nan 8.210 nan 0.000 0.440 383 R N 3.052 123.556 120.500 0.005 0.000 2.502 383 R HA 0.010 4.349 4.340 -0.002 0.000 0.292 383 R C -0.827 175.529 176.300 0.093 0.000 0.998 383 R CA 0.557 56.668 56.100 0.018 0.000 1.056 383 R CB 0.256 30.532 30.300 -0.041 0.000 0.939 383 R HN 0.222 nan 8.270 nan 0.000 0.411 384 N N 2.320 121.124 118.700 0.173 0.000 2.457 384 N HA 0.205 4.944 4.740 -0.002 0.000 0.290 384 N C -1.212 174.424 175.510 0.210 0.000 1.232 384 N CA -0.646 52.497 53.050 0.155 0.000 0.852 384 N CB 0.967 39.517 38.487 0.105 0.000 1.313 384 N HN 0.514 nan 8.380 nan 0.000 0.522 385 D N 0.777 121.252 120.400 0.125 0.000 2.414 385 D HA 0.138 4.777 4.640 -0.002 0.000 0.242 385 D C 0.403 176.683 176.300 -0.032 0.000 1.129 385 D CA 0.120 54.172 54.000 0.086 0.000 0.885 385 D CB 0.728 41.567 40.800 0.066 0.000 1.198 385 D HN 0.233 nan 8.370 nan 0.000 0.437 386 L N 1.750 122.870 121.223 -0.171 0.000 2.461 386 L HA 0.025 4.364 4.340 -0.002 0.000 0.272 386 L C 0.973 177.772 176.870 -0.120 0.000 1.197 386 L CA 0.087 54.774 54.840 -0.255 0.000 0.836 386 L CB 0.268 42.124 42.059 -0.339 0.000 1.105 386 L HN 0.093 nan 8.230 nan 0.000 0.477 387 K N 3.987 124.320 120.400 -0.112 0.000 2.228 387 K HA 0.305 4.624 4.320 -0.002 0.000 0.284 387 K C -0.854 175.686 176.600 -0.100 0.000 1.088 387 K CA 0.147 56.391 56.287 -0.072 0.000 0.941 387 K CB 0.062 32.530 32.500 -0.053 0.000 1.158 387 K HN 0.339 nan 8.250 nan 0.000 0.438 388 L N 5.671 126.863 121.223 -0.052 0.000 2.307 388 L HA 0.440 4.779 4.340 -0.002 0.000 0.282 388 L C -1.616 175.298 176.870 0.073 0.000 1.051 388 L CA -2.141 52.688 54.840 -0.019 0.000 0.804 388 L CB 0.699 42.803 42.059 0.075 0.000 1.197 388 L HN 0.473 nan 8.230 nan 0.000 0.431 389 P HA 0.121 nan 4.420 nan 0.000 0.276 389 P C -1.071 176.391 177.300 0.269 0.000 1.252 389 P CA -0.669 62.560 63.100 0.215 0.000 0.802 389 P CB 0.548 32.435 31.700 0.313 0.000 1.035 390 N N 1.205 120.023 118.700 0.197 0.000 2.452 390 N HA -0.022 4.717 4.740 -0.002 0.000 0.266 390 N C 1.196 176.816 175.510 0.183 0.000 1.209 390 N CA -0.176 52.957 53.050 0.139 0.000 0.929 390 N CB 0.481 39.004 38.487 0.061 0.000 1.063 390 N HN 0.346 nan 8.380 nan 0.000 0.472 391 L N 3.543 124.827 121.223 0.102 0.000 2.127 391 L HA -0.165 4.174 4.340 -0.002 0.000 0.211 391 L C 1.686 178.598 176.870 0.070 0.000 1.089 391 L CA 1.704 56.560 54.840 0.027 0.000 0.757 391 L CB -0.329 41.677 42.059 -0.088 0.000 0.899 391 L HN 0.489 nan 8.230 nan 0.000 0.434 392 E N -0.189 120.022 120.200 0.017 0.000 2.097 392 E HA -0.244 4.105 4.350 -0.002 0.000 0.196 392 E C 1.759 178.304 176.600 -0.091 0.000 1.000 392 E CA 1.523 57.904 56.400 -0.032 0.000 0.804 392 E CB -0.347 29.329 29.700 -0.040 0.000 0.740 392 E HN 0.492 nan 8.360 nan 0.000 0.454 393 D N -0.979 119.328 120.400 -0.155 0.000 2.311 393 D HA -0.171 4.468 4.640 -0.002 0.000 0.212 393 D C 0.825 176.702 176.300 -0.706 0.000 0.972 393 D CA 1.038 54.781 54.000 -0.430 0.000 0.887 393 D CB -0.103 40.361 40.800 -0.559 0.000 0.915 393 D HN 0.440 nan 8.370 nan 0.000 0.497 394 Y N -0.039 120.224 120.300 -0.062 0.000 2.445 394 Y HA 0.191 4.740 4.550 -0.002 0.000 0.247 394 Y C 0.866 176.729 175.900 -0.061 0.000 1.129 394 Y CA -0.567 57.499 58.100 -0.056 0.000 1.251 394 Y CB 0.143 38.555 38.460 -0.080 0.000 1.176 394 Y HN -0.178 nan 8.280 nan 0.000 0.522 395 E N 1.589 121.794 120.200 0.009 0.000 2.452 395 E HA 0.060 4.409 4.350 -0.002 0.000 0.261 395 E C -0.477 176.107 176.600 -0.027 0.000 0.987 395 E CA -0.154 56.239 56.400 -0.012 0.000 0.926 395 E CB 0.729 30.402 29.700 -0.045 0.000 0.934 395 E HN -0.077 nan 8.360 nan 0.000 0.452 396 V N 6.906 126.814 119.914 -0.010 0.000 2.403 396 V HA -0.019 4.099 4.120 -0.002 0.000 0.265 396 V C 1.135 177.164 176.094 -0.110 0.000 1.034 396 V CA 0.430 62.716 62.300 -0.023 0.000 1.036 396 V CB 0.560 32.415 31.823 0.053 0.000 1.032 396 V HN 0.724 nan 8.190 nan 0.000 0.478 397 K N 3.206 123.505 120.400 -0.167 0.000 2.418 397 K HA -0.002 4.317 4.320 -0.002 0.000 0.195 397 K C 1.441 177.851 176.600 -0.317 0.000 1.035 397 K CA 0.373 56.532 56.287 -0.212 0.000 1.003 397 K CB 0.334 32.721 32.500 -0.188 0.000 0.793 397 K HN 0.757 nan 8.250 nan 0.000 0.494 398 E N 0.812 120.745 120.200 -0.445 0.000 2.502 398 E HA -0.027 4.322 4.350 -0.002 0.000 0.194 398 E C 1.589 177.888 176.600 -0.502 0.000 1.062 398 E CA 0.268 56.288 56.400 -0.634 0.000 0.867 398 E CB -0.176 28.812 29.700 -1.186 0.000 0.888 398 E HN -0.033 nan 8.360 nan 0.000 0.510 399 V N 1.634 121.348 119.914 -0.333 0.000 2.379 399 V HA -0.193 3.926 4.120 -0.002 0.000 0.245 399 V C 2.521 178.381 176.094 -0.391 0.000 1.044 399 V CA 1.861 63.981 62.300 -0.300 0.000 1.036 399 V CB -0.609 31.061 31.823 -0.256 0.000 0.664 399 V HN 0.394 nan 8.190 nan 0.000 0.453 400 A N -0.364 122.243 122.820 -0.355 0.000 1.873 400 A HA -0.206 4.113 4.320 -0.002 0.000 0.215 400 A C 2.181 179.539 177.584 -0.376 0.000 1.186 400 A CA 1.766 53.600 52.037 -0.339 0.000 0.616 400 A CB -0.408 18.431 19.000 -0.268 0.000 0.823 400 A HN 0.591 nan 8.150 nan 0.000 0.442 401 E N -1.679 118.239 120.200 -0.470 0.000 2.028 401 E HA -0.161 4.188 4.350 -0.002 0.000 0.191 401 E C 1.367 177.508 176.600 -0.764 0.000 0.988 401 E CA 1.619 57.603 56.400 -0.693 0.000 0.799 401 E CB -0.177 28.930 29.700 -0.988 0.000 0.755 401 E HN 0.816 nan 8.360 nan 0.000 0.447 402 Y N -1.094 118.999 120.300 -0.345 0.000 2.430 402 Y HA 0.348 4.897 4.550 -0.002 0.000 0.248 402 Y C 0.692 176.491 175.900 -0.168 0.000 1.108 402 Y CA 0.282 58.238 58.100 -0.240 0.000 1.264 402 Y CB 1.662 39.972 38.460 -0.251 0.000 1.172 402 Y HN 0.058 nan 8.280 nan 0.000 0.520 403 G N 0.007 108.718 108.800 -0.147 0.000 2.539 403 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.686 403 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.686 403 G C -1.166 173.611 174.900 -0.204 0.000 1.258 403 G CA -1.200 43.778 45.100 -0.204 0.000 0.846 403 G HN 0.216 nan 8.290 nan 0.000 0.647 404 H N 0.316 119.284 119.070 -0.171 0.000 3.125 404 H HA 0.321 4.876 4.556 -0.002 0.000 0.310 404 H C 1.626 176.995 175.328 0.069 0.000 0.980 404 H CA 2.104 58.026 56.048 -0.211 0.000 1.422 404 H CB 0.611 29.992 29.762 -0.635 0.000 1.432 404 H HN 2.222 nan 8.280 nan 0.000 0.577 405 G N 2.881 111.587 108.800 -0.157 0.000 2.163 405 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.213 405 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.213 405 G C 0.067 174.718 174.900 -0.415 0.000 0.991 405 G CA -0.099 44.610 45.100 -0.652 0.000 0.653 405 G HN 0.695 nan 8.290 nan 0.000 0.518 406 W N 1.279 122.365 121.300 -0.356 0.000 2.158 406 W HA 0.479 5.138 4.660 -0.002 0.000 0.339 406 W C 0.818 177.157 176.519 -0.300 0.000 1.294 406 W CA 1.944 59.126 57.345 -0.271 0.000 1.231 406 W CB 0.631 29.996 29.460 -0.159 0.000 1.143 406 W HN 1.590 nan 8.180 nan 0.000 0.571 407 G N 3.721 111.659 108.800 -1.436 0.000 2.663 407 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.686 407 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.686 407 G C -0.549 173.781 174.900 -0.950 0.000 1.288 407 G CA -0.565 43.303 45.100 -2.054 0.000 0.836 407 G HN 0.591 nan 8.290 nan 0.000 0.584 408 Q N -0.114 119.233 119.800 -0.754 0.000 2.155 408 Q HA 0.300 4.639 4.340 -0.002 0.000 0.273 408 Q C 1.138 176.977 176.000 -0.267 0.000 0.857 408 Q CA -0.183 55.383 55.803 -0.394 0.000 1.116 408 Q CB 0.575 29.136 28.738 -0.295 0.000 1.209 408 Q HN 0.570 nan 8.270 nan 0.000 0.460 409 L N 0.973 122.038 121.223 -0.264 0.000 2.483 409 L HA 0.012 4.351 4.340 -0.002 0.000 0.275 409 L C 0.582 177.426 176.870 -0.043 0.000 1.220 409 L CA 0.613 55.395 54.840 -0.097 0.000 0.833 409 L CB 0.357 42.413 42.059 -0.006 0.000 1.102 409 L HN 0.050 nan 8.230 nan 0.000 0.490 410 E N 0.873 121.070 120.200 -0.006 0.000 2.035 410 E HA 0.212 4.561 4.350 -0.002 0.000 0.271 410 E C 0.534 177.155 176.600 0.035 0.000 0.953 410 E CA -0.228 56.180 56.400 0.013 0.000 0.777 410 E CB 1.510 31.218 29.700 0.012 0.000 1.104 410 E HN 0.695 nan 8.360 nan 0.000 0.408 411 A N 2.781 125.630 122.820 0.048 0.000 1.948 411 A HA -0.231 4.088 4.320 -0.002 0.000 0.220 411 A C 2.209 179.833 177.584 0.067 0.000 1.177 411 A CA 2.293 54.371 52.037 0.069 0.000 0.636 411 A CB -0.799 18.256 19.000 0.092 0.000 0.815 411 A HN 0.673 nan 8.150 nan 0.000 0.449 412 T N -2.567 112.022 114.554 0.057 0.000 2.962 412 T HA -0.099 4.250 4.350 -0.002 0.000 0.270 412 T C 1.835 176.567 174.700 0.053 0.000 1.088 412 T CA 1.141 63.275 62.100 0.056 0.000 1.127 412 T CB -0.336 68.560 68.868 0.046 0.000 0.883 412 T HN 0.510 nan 8.240 nan 0.000 0.493 413 R N 0.862 121.391 120.500 0.047 0.000 2.127 413 R HA -0.060 4.279 4.340 -0.002 0.000 0.238 413 R C 2.665 179.007 176.300 0.070 0.000 1.134 413 R CA 1.904 58.032 56.100 0.046 0.000 0.975 413 R CB -0.771 29.555 30.300 0.042 0.000 0.865 413 R HN 0.435 nan 8.270 nan 0.000 0.447 414 T N 1.116 115.720 114.554 0.084 0.000 2.777 414 T HA -0.119 4.230 4.350 -0.002 0.000 0.266 414 T C 1.614 176.377 174.700 0.106 0.000 1.040 414 T CA 1.024 63.190 62.100 0.110 0.000 1.141 414 T CB -0.159 68.770 68.868 0.102 0.000 0.868 414 T HN 0.103 nan 8.240 nan 0.000 0.444 415 L N 1.571 122.855 121.223 0.101 0.000 2.093 415 L HA 0.161 4.500 4.340 -0.002 0.000 0.208 415 L C 2.524 179.456 176.870 0.104 0.000 1.085 415 L CA 1.894 56.820 54.840 0.143 0.000 0.755 415 L CB -1.250 40.885 42.059 0.127 0.000 0.904 415 L HN 0.266 nan 8.230 nan 0.000 0.435 416 G N -0.647 108.191 108.800 0.063 0.000 2.529 416 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.219 416 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.219 416 G C 1.586 176.490 174.900 0.006 0.000 1.177 416 G CA 1.137 46.247 45.100 0.016 0.000 0.773 416 G HN 0.652 nan 8.290 nan 0.000 0.573 417 A N -0.363 122.493 122.820 0.059 0.000 1.898 417 A HA 0.019 4.338 4.320 -0.002 0.000 0.216 417 A C 2.192 179.805 177.584 0.049 0.000 1.181 417 A CA 1.593 53.700 52.037 0.116 0.000 0.620 417 A CB -0.715 18.437 19.000 0.254 0.000 0.819 417 A HN 0.538 nan 8.150 nan 0.000 0.442 418 Y N 0.996 121.080 120.300 -0.361 0.000 2.128 418 Y HA -0.259 4.290 4.550 -0.002 0.000 0.284 418 Y C 2.674 178.337 175.900 -0.395 0.000 1.154 418 Y CA 2.070 59.710 58.100 -0.766 0.000 1.149 418 Y CB -0.250 37.803 38.460 -0.678 0.000 0.976 418 Y HN 0.339 nan 8.280 nan 0.000 0.505 419 T N 1.191 115.551 114.554 -0.323 0.000 2.821 419 T HA -0.195 4.154 4.350 -0.002 0.000 0.267 419 T C 1.951 176.417 174.700 -0.391 0.000 1.046 419 T CA 1.286 63.129 62.100 -0.428 0.000 1.139 419 T CB -0.329 68.469 68.868 -0.117 0.000 0.871 419 T HN 0.326 nan 8.240 nan 0.000 0.454 420 R N 1.434 121.811 120.500 -0.205 0.000 2.096 420 R HA -0.163 4.175 4.340 -0.002 0.000 0.240 420 R C 1.452 177.659 176.300 -0.155 0.000 1.139 420 R CA 1.988 58.006 56.100 -0.137 0.000 0.952 420 R CB -0.555 29.710 30.300 -0.057 0.000 0.854 420 R HN 0.329 nan 8.270 nan 0.000 0.436 421 D N 0.364 120.680 120.400 -0.139 0.000 2.269 421 D HA -0.064 4.575 4.640 -0.002 0.000 0.208 421 D C 2.024 178.177 176.300 -0.245 0.000 0.963 421 D CA 0.759 54.697 54.000 -0.103 0.000 0.864 421 D CB -0.102 40.745 40.800 0.078 0.000 0.936 421 D HN 0.360 nan 8.370 nan 0.000 0.505 422 I N 0.749 121.025 120.570 -0.489 0.000 2.226 422 I HA -0.234 3.935 4.170 -0.002 0.000 0.245 422 I C 2.386 178.178 176.117 -0.543 0.000 1.100 422 I CA 0.791 61.687 61.300 -0.673 0.000 1.374 422 I CB -0.117 37.165 38.000 -1.196 0.000 1.057 422 I HN -0.060 nan 8.210 nan 0.000 0.413 423 I N 0.633 120.913 120.570 -0.483 0.000 2.179 423 I HA -0.328 3.841 4.170 -0.002 0.000 0.242 423 I C 2.661 178.709 176.117 -0.116 0.000 1.088 423 I CA 1.467 62.630 61.300 -0.227 0.000 1.357 423 I CB -0.408 37.526 38.000 -0.110 0.000 1.051 423 I HN 0.186 nan 8.210 nan 0.000 0.409 424 K N 0.893 121.228 120.400 -0.107 0.000 2.063 424 K HA -0.223 4.096 4.320 -0.002 0.000 0.208 424 K C 1.797 178.366 176.600 -0.053 0.000 1.048 424 K CA 1.784 58.038 56.287 -0.055 0.000 0.928 424 K CB -0.040 32.438 32.500 -0.037 0.000 0.713 424 K HN 0.262 nan 8.250 nan 0.000 0.442 425 N N 0.858 119.506 118.700 -0.088 0.000 2.396 425 N HA -0.063 4.676 4.740 -0.002 0.000 0.180 425 N C -0.180 175.292 175.510 -0.065 0.000 1.028 425 N CA 0.772 53.778 53.050 -0.073 0.000 0.893 425 N CB 0.134 38.563 38.487 -0.097 0.000 0.967 425 N HN 0.224 nan 8.380 nan 0.000 0.440 426 N N 0.810 119.465 118.700 -0.075 0.000 2.765 426 N HA 0.187 4.926 4.740 -0.002 0.000 0.277 426 N C -2.837 172.696 175.510 0.038 0.000 1.750 426 N CA -0.806 52.229 53.050 -0.025 0.000 0.827 426 N CB 2.015 40.465 38.487 -0.062 0.000 1.200 426 N HN 0.143 nan 8.380 nan 0.000 0.494 427 P HA 0.148 nan 4.420 nan 0.000 0.268 427 P C 0.343 177.708 177.300 0.108 0.000 1.205 427 P CA 0.051 63.191 63.100 0.066 0.000 0.771 427 P CB 0.839 32.566 31.700 0.045 0.000 0.858 428 R N 0.388 120.974 120.500 0.143 0.000 3.954 428 R HA -0.139 4.200 4.340 -0.002 0.000 0.422 428 R C 0.302 176.751 176.300 0.247 0.000 1.091 428 R CA 0.964 57.171 56.100 0.178 0.000 1.168 428 R CB -2.723 27.656 30.300 0.131 0.000 1.752 428 R HN 0.528 nan 8.270 nan 0.000 0.547 429 D N -1.618 118.950 120.400 0.281 0.000 2.486 429 D HA 0.254 4.892 4.640 -0.002 0.000 0.243 429 D C -0.631 175.950 176.300 0.467 0.000 1.146 429 D CA 0.146 54.320 54.000 0.291 0.000 0.821 429 D CB 0.580 41.509 40.800 0.214 0.000 1.201 429 D HN 0.062 nan 8.370 nan 0.000 0.525 430 F N 1.174 121.306 119.950 0.302 0.000 2.561 430 F HA 0.476 5.002 4.527 -0.002 0.000 0.313 430 F C -0.924 174.969 175.800 0.155 0.000 1.126 430 F CA -0.692 57.475 58.000 0.279 0.000 0.918 430 F CB 1.449 40.480 39.000 0.050 0.000 1.199 430 F HN -0.460 nan 8.300 nan 0.000 0.444 431 R N 5.971 126.358 120.500 -0.189 0.000 2.744 431 R HA 0.662 5.001 4.340 -0.002 0.000 0.279 431 R C -1.416 174.668 176.300 -0.360 0.000 0.977 431 R CA -1.045 54.836 56.100 -0.365 0.000 0.906 431 R CB 2.695 32.477 30.300 -0.863 0.000 1.197 431 R HN 0.608 nan 8.270 nan 0.000 0.463 432 I N 2.251 122.663 120.570 -0.264 0.000 2.460 432 I HA 0.436 4.605 4.170 -0.002 0.000 0.298 432 I C -0.793 175.097 176.117 -0.379 0.000 0.989 432 I CA -0.517 60.727 61.300 -0.092 0.000 1.173 432 I CB 1.048 39.100 38.000 0.086 0.000 1.338 432 I HN 0.336 nan 8.210 nan 0.000 0.456 433 F N 2.310 122.365 119.950 0.175 0.000 2.588 433 F HA 0.819 5.345 4.527 -0.002 0.000 0.314 433 F C 0.422 176.394 175.800 0.287 0.000 1.069 433 F CA -0.658 57.451 58.000 0.183 0.000 0.931 433 F CB 2.413 41.474 39.000 0.101 0.000 1.260 433 F HN 0.424 nan 8.300 nan 0.000 0.465 434 G N 1.412 110.471 108.800 0.431 0.000 2.755 434 G HA2 0.512 4.471 3.960 -0.002 0.000 0.297 434 G HA3 0.512 4.471 3.960 -0.002 0.000 0.297 434 G C -3.306 171.758 174.900 0.273 0.000 1.441 434 G CA -1.367 43.961 45.100 0.380 0.000 0.964 434 G HN 0.231 nan 8.290 nan 0.000 0.540 435 P HA 0.264 nan 4.420 nan 0.000 0.219 435 P C -0.222 177.119 177.300 0.068 0.000 1.832 435 P CA -0.031 63.152 63.100 0.137 0.000 1.014 435 P CB 0.605 32.390 31.700 0.142 0.000 1.939 436 D N 1.332 121.788 120.400 0.093 0.000 2.945 436 D HA -0.167 4.472 4.640 -0.002 0.000 0.225 436 D C -0.010 176.318 176.300 0.047 0.000 1.158 436 D CA 1.290 55.327 54.000 0.062 0.000 0.805 436 D CB -1.404 39.414 40.800 0.030 0.000 1.098 436 D HN 0.442 nan 8.370 nan 0.000 0.426 437 E N -2.208 118.035 120.200 0.072 0.000 2.789 437 E HA 0.141 4.490 4.350 -0.002 0.000 0.217 437 E C 1.417 178.099 176.600 0.136 0.000 0.970 437 E CA 0.360 56.803 56.400 0.072 0.000 1.201 437 E CB 0.343 30.001 29.700 -0.071 0.000 1.069 437 E HN 0.157 nan 8.360 nan 0.000 0.499 438 T N 1.152 115.796 114.554 0.150 0.000 2.597 438 T HA -0.292 4.057 4.350 -0.002 0.000 0.267 438 T C 2.060 176.811 174.700 0.085 0.000 1.053 438 T CA 1.925 64.106 62.100 0.135 0.000 1.165 438 T CB -0.193 68.781 68.868 0.177 0.000 0.863 438 T HN 0.320 nan 8.240 nan 0.000 0.427 439 A N 0.737 123.628 122.820 0.118 0.000 1.898 439 A HA -0.056 4.263 4.320 -0.002 0.000 0.216 439 A C 2.568 180.210 177.584 0.097 0.000 1.181 439 A CA 2.085 54.172 52.037 0.083 0.000 0.620 439 A CB -1.052 18.036 19.000 0.145 0.000 0.819 439 A HN 0.471 nan 8.150 nan 0.000 0.442 440 S N 0.449 116.235 115.700 0.144 0.000 2.383 440 S HA -0.171 4.298 4.470 -0.002 0.000 0.229 440 S C 1.558 176.258 174.600 0.167 0.000 1.030 440 S CA 1.590 59.901 58.200 0.185 0.000 1.002 440 S CB -0.571 62.810 63.200 0.302 0.000 0.829 440 S HN 0.619 nan 8.310 nan 0.000 0.467 441 N N 1.175 119.974 118.700 0.166 0.000 2.461 441 N HA 0.123 4.862 4.740 -0.002 0.000 0.188 441 N C -0.033 175.514 175.510 0.063 0.000 1.134 441 N CA 0.283 53.404 53.050 0.119 0.000 0.878 441 N CB -0.148 38.418 38.487 0.132 0.000 0.972 441 N HN 0.478 nan 8.380 nan 0.000 0.456 442 R N -0.670 119.857 120.500 0.045 0.000 3.762 442 R HA -0.124 4.215 4.340 -0.002 0.000 0.328 442 R C -0.006 176.282 176.300 -0.020 0.000 1.164 442 R CA 0.275 56.382 56.100 0.012 0.000 0.861 442 R CB -2.240 28.074 30.300 0.022 0.000 1.408 442 R HN 0.194 nan 8.270 nan 0.000 0.502 443 L N 1.441 122.638 121.223 -0.043 0.000 2.653 443 L HA 0.008 4.347 4.340 -0.002 0.000 0.231 443 L C 2.371 179.091 176.870 -0.251 0.000 1.153 443 L CA 0.016 54.806 54.840 -0.082 0.000 0.933 443 L CB -0.046 42.001 42.059 -0.021 0.000 1.175 443 L HN 0.244 nan 8.230 nan 0.000 0.473 444 Q N 0.718 120.310 119.800 -0.348 0.000 2.436 444 Q HA -0.083 4.256 4.340 -0.002 0.000 0.209 444 Q C 1.812 177.460 176.000 -0.588 0.000 0.965 444 Q CA 1.226 56.563 55.803 -0.776 0.000 0.910 444 Q CB -0.218 28.190 28.738 -0.551 0.000 0.980 444 Q HN 0.378 nan 8.270 nan 0.000 0.491 445 A N 1.193 123.848 122.820 -0.276 0.000 2.084 445 A HA -0.166 4.153 4.320 -0.002 0.000 0.221 445 A C 2.330 179.816 177.584 -0.164 0.000 1.161 445 A CA 1.600 53.544 52.037 -0.156 0.000 0.653 445 A CB -0.712 18.248 19.000 -0.067 0.000 0.802 445 A HN 0.434 nan 8.150 nan 0.000 0.457 446 S N -1.245 114.310 115.700 -0.242 0.000 2.419 446 S HA -0.136 4.332 4.470 -0.002 0.000 0.235 446 S C 1.511 176.104 174.600 -0.012 0.000 1.019 446 S CA 1.176 59.296 58.200 -0.133 0.000 0.982 446 S CB -0.514 62.623 63.200 -0.107 0.000 0.789 446 S HN 0.719 nan 8.310 nan 0.000 0.490 447 Y N 1.930 122.173 120.300 -0.095 0.000 2.574 447 Y HA 0.002 4.551 4.550 -0.002 0.000 0.294 447 Y C 2.006 177.879 175.900 -0.045 0.000 1.142 447 Y CA -0.179 57.841 58.100 -0.133 0.000 1.314 447 Y CB -1.017 37.151 38.460 -0.487 0.000 0.991 447 Y HN 0.426 nan 8.280 nan 0.000 0.555 448 E N -0.234 120.015 120.200 0.080 0.000 2.153 448 E HA -0.104 4.244 4.350 -0.002 0.000 0.194 448 E C 1.692 178.333 176.600 0.068 0.000 0.988 448 E CA 1.718 58.163 56.400 0.074 0.000 0.811 448 E CB -0.073 29.650 29.700 0.038 0.000 0.746 448 E HN 0.445 nan 8.360 nan 0.000 0.466 449 V N -3.617 116.333 119.914 0.059 0.000 3.477 449 V HA 0.310 4.429 4.120 -0.002 0.000 0.297 449 V C 0.403 176.526 176.094 0.048 0.000 1.433 449 V CA -0.000 62.324 62.300 0.040 0.000 1.052 449 V CB 0.892 32.723 31.823 0.014 0.000 0.895 449 V HN 0.043 nan 8.190 nan 0.000 0.438 450 T N -0.095 114.511 114.554 0.087 0.000 2.653 450 T HA 0.446 4.794 4.350 -0.002 0.000 0.306 450 T C -1.878 172.903 174.700 0.134 0.000 1.426 450 T CA -0.422 61.729 62.100 0.085 0.000 1.008 450 T CB 1.894 70.811 68.868 0.082 0.000 1.692 450 T HN 0.381 nan 8.240 nan 0.000 0.483 451 N N 0.614 119.380 118.700 0.111 0.000 2.571 451 N HA 0.421 5.159 4.740 -0.002 0.000 0.273 451 N C -1.484 174.068 175.510 0.071 0.000 1.340 451 N CA -0.749 52.349 53.050 0.081 0.000 0.789 451 N CB 1.927 40.474 38.487 0.100 0.000 1.514 451 N HN 0.477 nan 8.380 nan 0.000 0.499 452 K N 1.115 121.507 120.400 -0.013 0.000 2.322 452 K HA 0.068 4.387 4.320 -0.002 0.000 0.283 452 K C 0.046 176.719 176.600 0.122 0.000 1.042 452 K CA -0.103 56.204 56.287 0.032 0.000 0.958 452 K CB 0.919 33.391 32.500 -0.047 0.000 0.984 452 K HN 0.389 nan 8.250 nan 0.000 0.473 453 Q N 3.783 123.658 119.800 0.124 0.000 2.295 453 Q HA 0.074 4.413 4.340 -0.002 0.000 0.259 453 Q C -1.552 174.590 176.000 0.237 0.000 0.976 453 Q CA -0.280 55.610 55.803 0.145 0.000 0.923 453 Q CB 0.709 29.477 28.738 0.049 0.000 1.185 453 Q HN 0.628 nan 8.270 nan 0.000 0.410 454 W N 5.180 126.494 121.300 0.023 0.000 3.042 454 W HA 0.284 4.943 4.660 -0.002 0.000 0.337 454 W C -1.624 174.910 176.519 0.026 0.000 1.086 454 W CA -0.588 56.744 57.345 -0.022 0.000 1.236 454 W CB 1.718 31.111 29.460 -0.112 0.000 1.381 454 W HN 0.744 nan 8.180 nan 0.000 0.472 455 D N 3.789 123.916 120.400 -0.455 0.000 2.650 455 D HA 0.317 4.956 4.640 -0.002 0.000 0.265 455 D C 0.683 176.671 176.300 -0.520 0.000 1.339 455 D CA 0.111 53.911 54.000 -0.333 0.000 0.816 455 D CB 1.052 41.728 40.800 -0.206 0.000 1.091 455 D HN 0.300 nan 8.370 nan 0.000 0.483 456 A N -0.180 122.046 122.820 -0.991 0.000 2.580 456 A HA 0.812 5.131 4.320 -0.002 0.000 0.275 456 A C 0.923 178.383 177.584 -0.206 0.000 1.321 456 A CA -0.404 51.234 52.037 -0.666 0.000 0.924 456 A CB -0.012 18.453 19.000 -0.891 0.000 1.512 456 A HN 0.157 nan 8.150 nan 0.000 0.492 457 G N -1.780 107.038 108.800 0.030 0.000 2.527 457 G HA2 0.475 4.434 3.960 -0.002 0.000 0.248 457 G HA3 0.475 4.434 3.960 -0.002 0.000 0.248 457 G C -0.999 174.008 174.900 0.179 0.000 1.231 457 G CA 0.023 45.219 45.100 0.161 0.000 0.838 457 G HN 0.389 nan 8.290 nan 0.000 0.570 458 Y N 0.058 120.452 120.300 0.157 0.000 2.387 458 Y HA 0.439 4.988 4.550 -0.002 0.000 0.330 458 Y C 1.300 177.235 175.900 0.058 0.000 1.133 458 Y CA -0.737 57.426 58.100 0.105 0.000 1.152 458 Y CB 1.947 40.445 38.460 0.062 0.000 1.215 458 Y HN 0.475 nan 8.280 nan 0.000 0.466 459 I N -2.378 118.276 120.570 0.140 0.000 4.706 459 I HA 0.448 4.617 4.170 -0.002 0.000 0.321 459 I C -0.028 176.129 176.117 0.067 0.000 1.249 459 I CA 0.052 61.404 61.300 0.087 0.000 1.321 459 I CB 1.273 39.299 38.000 0.042 0.000 1.342 459 I HN 0.371 nan 8.210 nan 0.000 0.463 460 S N 1.799 117.534 115.700 0.058 0.000 2.570 460 S HA 0.178 4.647 4.470 -0.002 0.000 0.286 460 S C -0.417 174.196 174.600 0.022 0.000 1.143 460 S CA -0.071 58.148 58.200 0.032 0.000 0.921 460 S CB 1.242 64.449 63.200 0.012 0.000 1.108 460 S HN 0.450 nan 8.310 nan 0.000 0.456 461 D N 2.929 123.337 120.400 0.015 0.000 2.354 461 D HA -0.120 4.519 4.640 -0.002 0.000 0.216 461 D C 0.970 177.258 176.300 -0.022 0.000 0.970 461 D CA 1.072 55.069 54.000 -0.005 0.000 0.905 461 D CB -0.098 40.695 40.800 -0.012 0.000 0.903 461 D HN 0.761 nan 8.370 nan 0.000 0.508 462 E N -0.504 119.687 120.200 -0.016 0.000 2.427 462 E HA -0.015 4.334 4.350 -0.002 0.000 0.196 462 E C 1.610 178.192 176.600 -0.031 0.000 1.028 462 E CA 0.879 57.267 56.400 -0.020 0.000 0.864 462 E CB 0.419 30.111 29.700 -0.012 0.000 0.813 462 E HN 0.496 nan 8.360 nan 0.000 0.514 463 V N -3.471 116.418 119.914 -0.042 0.000 3.408 463 V HA 0.136 4.255 4.120 -0.002 0.000 0.263 463 V C 0.543 176.575 176.094 -0.103 0.000 1.503 463 V CA -0.105 62.155 62.300 -0.067 0.000 1.046 463 V CB 0.486 32.266 31.823 -0.071 0.000 0.851 463 V HN -0.118 nan 8.190 nan 0.000 0.435 464 D N 2.618 122.966 120.400 -0.087 0.000 2.690 464 D HA 0.204 4.842 4.640 -0.002 0.000 0.236 464 D C 0.200 176.445 176.300 -0.092 0.000 1.218 464 D CA 0.112 54.048 54.000 -0.107 0.000 0.829 464 D CB 0.004 40.814 40.800 0.016 0.000 1.009 464 D HN 0.724 nan 8.370 nan 0.000 0.482 465 E N 0.305 120.426 120.200 -0.131 0.000 2.373 465 E HA 0.075 4.424 4.350 -0.002 0.000 0.267 465 E C 0.195 176.674 176.600 -0.201 0.000 1.032 465 E CA -0.269 55.999 56.400 -0.219 0.000 0.889 465 E CB 0.461 30.022 29.700 -0.232 0.000 0.984 465 E HN 0.216 nan 8.360 nan 0.000 0.425 466 H N 0.365 119.360 119.070 -0.126 0.000 2.826 466 H HA -0.170 4.384 4.556 -0.002 0.000 0.306 466 H C -0.652 174.548 175.328 -0.214 0.000 1.235 466 H CA 0.827 56.741 56.048 -0.223 0.000 1.150 466 H CB -1.416 28.043 29.762 -0.505 0.000 1.409 466 H HN 0.567 nan 8.280 nan 0.000 0.420 467 M N 0.012 119.628 119.600 0.028 0.000 2.446 467 M HA 0.450 4.929 4.480 -0.002 0.000 0.294 467 M C -0.366 176.132 176.300 0.329 0.000 1.158 467 M CA -0.506 54.870 55.300 0.127 0.000 0.899 467 M CB 3.301 35.934 32.600 0.055 0.000 1.687 467 M HN 0.297 nan 8.290 nan 0.000 0.455 468 H N -0.262 118.943 119.070 0.224 0.000 3.042 468 H HA 0.366 4.921 4.556 -0.002 0.000 0.346 468 H C 0.225 175.684 175.328 0.219 0.000 1.294 468 H CA -0.570 55.571 56.048 0.156 0.000 1.141 468 H CB 1.565 31.360 29.762 0.054 0.000 1.872 468 H HN 0.389 nan 8.280 nan 0.000 0.541 469 V N -0.180 119.576 119.914 -0.264 0.000 3.026 469 V HA 0.173 4.292 4.120 -0.002 0.000 0.265 469 V C 0.147 176.211 176.094 -0.050 0.000 1.121 469 V CA 1.629 63.858 62.300 -0.119 0.000 1.142 469 V CB -0.605 31.081 31.823 -0.228 0.000 0.730 469 V HN 0.397 nan 8.190 nan 0.000 0.503 470 S N -0.647 115.068 115.700 0.024 0.000 2.541 470 S HA 0.868 5.337 4.470 -0.002 0.000 0.280 470 S C -0.081 174.638 174.600 0.198 0.000 1.112 470 S CA -0.019 58.252 58.200 0.117 0.000 0.925 470 S CB 1.792 65.074 63.200 0.136 0.000 1.067 470 S HN 1.054 nan 8.310 nan 0.000 0.479 471 G N 0.883 109.748 108.800 0.109 0.000 2.411 471 G HA2 0.384 4.343 3.960 -0.002 0.000 0.295 471 G HA3 0.384 4.343 3.960 -0.002 0.000 0.295 471 G C -1.048 173.863 174.900 0.018 0.000 1.542 471 G CA -0.575 44.578 45.100 0.089 0.000 0.814 471 G HN 0.399 nan 8.290 nan 0.000 0.557 472 Q N -0.646 119.163 119.800 0.014 0.000 2.280 472 Q HA 0.246 4.585 4.340 -0.002 0.000 0.202 472 Q C 0.592 176.518 176.000 -0.123 0.000 0.903 472 Q CA 0.223 55.996 55.803 -0.049 0.000 0.948 472 Q CB 1.120 29.878 28.738 0.033 0.000 1.058 472 Q HN 0.318 nan 8.270 nan 0.000 0.493 473 V N 0.393 120.268 119.914 -0.066 0.000 2.604 473 V HA 0.519 4.638 4.120 -0.002 0.000 0.305 473 V C -0.281 175.760 176.094 -0.088 0.000 1.043 473 V CA -0.838 61.416 62.300 -0.077 0.000 0.888 473 V CB 2.471 34.380 31.823 0.144 0.000 0.995 473 V HN -0.221 nan 8.190 nan 0.000 0.429 474 V N 3.799 123.630 119.914 -0.139 0.000 2.638 474 V HA 0.549 4.668 4.120 -0.002 0.000 0.306 474 V C -0.573 175.643 176.094 0.203 0.000 1.052 474 V CA -0.546 61.786 62.300 0.053 0.000 0.885 474 V CB 2.095 33.979 31.823 0.101 0.000 0.999 474 V HN 0.961 nan 8.190 nan 0.000 0.424 475 E N 3.894 124.232 120.200 0.230 0.000 2.248 475 E HA 0.629 4.978 4.350 -0.002 0.000 0.267 475 E C -1.170 175.577 176.600 0.246 0.000 0.877 475 E CA -0.677 55.862 56.400 0.231 0.000 0.759 475 E CB 3.266 33.067 29.700 0.168 0.000 1.182 475 E HN 0.645 nan 8.360 nan 0.000 0.418 476 Q N 2.075 121.995 119.800 0.200 0.000 2.377 476 Q HA 0.223 4.562 4.340 -0.002 0.000 0.279 476 Q C -1.458 174.598 176.000 0.092 0.000 1.049 476 Q CA -0.892 55.006 55.803 0.158 0.000 0.825 476 Q CB 1.735 30.552 28.738 0.132 0.000 1.401 476 Q HN 0.384 nan 8.270 nan 0.000 0.404 477 L N 3.320 124.584 121.223 0.070 0.000 2.382 477 L HA 0.380 4.719 4.340 -0.002 0.000 0.259 477 L C -1.214 175.661 176.870 0.008 0.000 1.291 477 L CA 0.974 55.833 54.840 0.031 0.000 1.176 477 L CB -0.460 41.611 42.059 0.021 0.000 1.373 477 L HN 0.521 nan 8.230 nan 0.000 0.426 478 S N 1.636 117.332 115.700 -0.006 0.000 2.545 478 S HA 0.308 4.776 4.470 -0.002 0.000 0.259 478 S C 0.696 175.241 174.600 -0.091 0.000 1.092 478 S CA -0.562 57.621 58.200 -0.028 0.000 1.054 478 S CB 0.681 63.858 63.200 -0.038 0.000 1.146 478 S HN 0.529 nan 8.310 nan 0.000 0.447 479 E N 2.389 122.535 120.200 -0.089 0.000 2.118 479 E HA -0.096 4.253 4.350 -0.002 0.000 0.195 479 E C 1.112 177.487 176.600 -0.376 0.000 0.992 479 E CA 1.917 58.236 56.400 -0.135 0.000 0.804 479 E CB -0.196 29.505 29.700 0.001 0.000 0.741 479 E HN 0.856 nan 8.360 nan 0.000 0.458 480 H N -0.064 118.879 119.070 -0.211 0.000 2.321 480 H HA -0.053 4.502 4.556 -0.002 0.000 0.300 480 H C 2.029 177.085 175.328 -0.454 0.000 1.087 480 H CA 1.472 57.362 56.048 -0.264 0.000 1.319 480 H CB 0.129 29.821 29.762 -0.117 0.000 1.379 480 H HN 0.074 nan 8.280 nan 0.000 0.501 481 Q N -0.206 119.360 119.800 -0.391 0.000 2.084 481 Q HA -0.127 4.212 4.340 -0.002 0.000 0.202 481 Q C 2.244 177.600 176.000 -1.073 0.000 0.978 481 Q CA 0.997 56.302 55.803 -0.830 0.000 0.844 481 Q CB -0.044 28.257 28.738 -0.728 0.000 0.898 481 Q HN 0.505 nan 8.270 nan 0.000 0.426 482 M N 0.361 119.502 119.600 -0.764 0.000 2.099 482 M HA -0.136 4.343 4.480 -0.002 0.000 0.262 482 M C 2.079 177.650 176.300 -1.216 0.000 1.067 482 M CA 1.345 56.166 55.300 -0.798 0.000 1.124 482 M CB -1.105 31.159 32.600 -0.561 0.000 1.353 482 M HN 0.120 nan 8.290 nan 0.000 0.410 483 E N 0.350 119.740 120.200 -1.351 0.000 2.038 483 E HA -0.123 4.225 4.350 -0.002 0.000 0.195 483 E C 2.052 178.257 176.600 -0.660 0.000 1.000 483 E CA 2.050 57.815 56.400 -1.058 0.000 0.803 483 E CB -0.742 28.551 29.700 -0.679 0.000 0.750 483 E HN 0.464 nan 8.360 nan 0.000 0.448 484 G N -0.549 107.911 108.800 -0.567 0.000 2.418 484 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.217 484 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.217 484 G C 1.577 176.401 174.900 -0.127 0.000 1.158 484 G CA 0.751 45.658 45.100 -0.323 0.000 0.771 484 G HN 0.354 nan 8.290 nan 0.000 0.545 485 F N -0.197 119.499 119.950 -0.424 0.000 2.095 485 F HA -0.091 4.435 4.527 -0.002 0.000 0.298 485 F C 2.525 177.974 175.800 -0.585 0.000 1.104 485 F CA 0.497 58.215 58.000 -0.470 0.000 1.232 485 F CB -0.172 38.374 39.000 -0.757 0.000 0.987 485 F HN 0.148 nan 8.300 nan 0.000 0.475 486 L N 0.785 121.569 121.223 -0.731 0.000 2.017 486 L HA -0.197 4.142 4.340 -0.002 0.000 0.208 486 L C 2.074 178.829 176.870 -0.191 0.000 1.073 486 L CA 1.812 56.367 54.840 -0.474 0.000 0.745 486 L CB -0.790 40.992 42.059 -0.462 0.000 0.894 486 L HN 0.071 nan 8.230 nan 0.000 0.432 487 E N -0.446 119.590 120.200 -0.273 0.000 2.097 487 E HA -0.269 4.080 4.350 -0.002 0.000 0.196 487 E C 2.102 178.549 176.600 -0.255 0.000 1.000 487 E CA 1.399 57.597 56.400 -0.337 0.000 0.804 487 E CB -0.335 29.146 29.700 -0.365 0.000 0.740 487 E HN 0.671 nan 8.360 nan 0.000 0.454 488 A N 0.127 122.856 122.820 -0.151 0.000 1.970 488 A HA -0.146 4.173 4.320 -0.002 0.000 0.216 488 A C 1.914 179.504 177.584 0.010 0.000 1.170 488 A CA 0.778 52.744 52.037 -0.119 0.000 0.645 488 A CB -0.502 18.502 19.000 0.007 0.000 0.816 488 A HN 0.331 nan 8.150 nan 0.000 0.447 489 Y N 0.720 120.986 120.300 -0.056 0.000 2.224 489 Y HA -0.125 4.423 4.550 -0.002 0.000 0.289 489 Y C 1.884 177.762 175.900 -0.037 0.000 1.146 489 Y CA 1.660 59.761 58.100 0.003 0.000 1.182 489 Y CB -0.202 38.321 38.460 0.105 0.000 0.983 489 Y HN 0.247 nan 8.280 nan 0.000 0.524 490 L N -1.175 120.030 121.223 -0.030 0.000 2.072 490 L HA -0.182 4.156 4.340 -0.002 0.000 0.205 490 L C 2.255 179.058 176.870 -0.113 0.000 1.079 490 L CA 0.907 55.683 54.840 -0.106 0.000 0.752 490 L CB -0.672 41.359 42.059 -0.046 0.000 0.906 490 L HN 0.147 nan 8.230 nan 0.000 0.436 491 L N -0.160 120.999 121.223 -0.107 0.000 2.265 491 L HA -0.133 4.206 4.340 -0.002 0.000 0.215 491 L C 2.230 179.061 176.870 -0.065 0.000 1.117 491 L CA 1.478 56.263 54.840 -0.092 0.000 0.782 491 L CB -0.618 41.323 42.059 -0.197 0.000 0.914 491 L HN 0.432 nan 8.230 nan 0.000 0.441 492 T N -4.131 110.370 114.554 -0.089 0.000 3.163 492 T HA 0.372 4.721 4.350 -0.002 0.000 0.252 492 T C 1.218 175.850 174.700 -0.114 0.000 1.056 492 T CA 0.302 62.359 62.100 -0.072 0.000 0.947 492 T CB 0.633 69.474 68.868 -0.044 0.000 1.016 492 T HN 0.394 nan 8.240 nan 0.000 0.554 493 G N 0.895 109.599 108.800 -0.160 0.000 2.148 493 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.203 493 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.203 493 G C 0.073 174.792 174.900 -0.300 0.000 0.993 493 G CA -0.490 44.506 45.100 -0.173 0.000 0.661 493 G HN 0.598 nan 8.290 nan 0.000 0.518 494 R N -0.308 119.913 120.500 -0.466 0.000 2.893 494 R HA 0.911 5.250 4.340 -0.002 0.000 0.223 494 R C 0.319 176.301 176.300 -0.531 0.000 1.433 494 R CA -0.572 55.186 56.100 -0.570 0.000 1.063 494 R CB 0.576 30.170 30.300 -1.176 0.000 1.758 494 R HN 0.414 nan 8.270 nan 0.000 0.524 495 H N -1.916 117.112 119.070 -0.069 0.000 2.946 495 H HA 0.721 5.276 4.556 -0.002 0.000 0.365 495 H C -0.342 174.865 175.328 -0.202 0.000 1.197 495 H CA -0.766 55.290 56.048 0.014 0.000 1.131 495 H CB 2.174 32.039 29.762 0.171 0.000 1.849 495 H HN 0.727 nan 8.280 nan 0.000 0.555 496 G N -0.135 108.464 108.800 -0.334 0.000 2.335 496 G HA2 0.405 4.364 3.960 -0.002 0.000 0.291 496 G HA3 0.405 4.364 3.960 -0.002 0.000 0.291 496 G C -1.921 172.854 174.900 -0.208 0.000 1.261 496 G CA -0.447 44.105 45.100 -0.913 0.000 0.871 496 G HN 0.590 nan 8.290 nan 0.000 0.491 497 I N -0.234 120.363 120.570 0.045 0.000 2.908 497 I HA 0.698 4.867 4.170 -0.002 0.000 0.300 497 I C -1.545 174.849 176.117 0.461 0.000 1.385 497 I CA -1.043 60.455 61.300 0.330 0.000 1.004 497 I CB 2.015 40.275 38.000 0.432 0.000 1.309 497 I HN 0.962 nan 8.210 nan 0.000 0.449 498 W N 4.579 125.988 121.300 0.181 0.000 3.017 498 W HA 0.839 5.498 4.660 -0.002 0.000 0.341 498 W C -1.677 174.923 176.519 0.136 0.000 1.180 498 W CA -1.017 56.440 57.345 0.187 0.000 1.097 498 W CB 0.585 30.166 29.460 0.202 0.000 1.468 498 W HN 0.649 nan 8.180 nan 0.000 0.584 499 S N 0.790 116.539 115.700 0.082 0.000 2.595 499 S HA 0.746 5.214 4.470 -0.002 0.000 0.281 499 S C -1.237 173.238 174.600 -0.209 0.000 1.117 499 S CA -0.674 57.434 58.200 -0.154 0.000 0.873 499 S CB 2.038 65.257 63.200 0.032 0.000 1.108 499 S HN 0.830 nan 8.310 nan 0.000 0.477 500 S N 0.444 115.996 115.700 -0.247 0.000 2.537 500 S HA 0.559 5.028 4.470 -0.002 0.000 0.271 500 S C -1.724 172.926 174.600 0.084 0.000 1.148 500 S CA -0.672 57.458 58.200 -0.116 0.000 0.868 500 S CB 0.522 63.532 63.200 -0.317 0.000 1.115 500 S HN 0.586 nan 8.310 nan 0.000 0.461 501 Y N 2.696 122.985 120.300 -0.017 0.000 2.811 501 Y HA 0.055 4.604 4.550 -0.002 0.000 0.334 501 Y C 1.988 177.780 175.900 -0.180 0.000 1.247 501 Y CA 0.266 58.306 58.100 -0.101 0.000 1.526 501 Y CB 0.157 38.526 38.460 -0.151 0.000 1.284 501 Y HN 0.958 nan 8.280 nan 0.000 0.586 502 E N 1.540 121.720 120.200 -0.033 0.000 2.038 502 E HA -0.242 4.107 4.350 -0.002 0.000 0.195 502 E C 1.939 178.467 176.600 -0.120 0.000 1.000 502 E CA 2.091 58.448 56.400 -0.071 0.000 0.803 502 E CB 0.105 29.790 29.700 -0.026 0.000 0.750 502 E HN 0.751 nan 8.360 nan 0.000 0.448 503 S N -0.134 115.420 115.700 -0.244 0.000 2.400 503 S HA -0.160 4.309 4.470 -0.002 0.000 0.232 503 S C 1.572 176.194 174.600 0.036 0.000 1.025 503 S CA 1.083 59.168 58.200 -0.193 0.000 0.993 503 S CB -0.477 62.467 63.200 -0.428 0.000 0.808 503 S HN 0.290 nan 8.310 nan 0.000 0.478 504 F N 1.196 121.183 119.950 0.061 0.000 2.797 504 F HA 0.379 4.905 4.527 -0.002 0.000 0.302 504 F C 2.085 177.903 175.800 0.031 0.000 1.130 504 F CA -1.387 56.638 58.000 0.042 0.000 1.387 504 F CB -1.016 37.991 39.000 0.013 0.000 1.107 504 F HN 0.054 nan 8.300 nan 0.000 0.577 505 V N -0.149 119.833 119.914 0.114 0.000 2.568 505 V HA -0.297 3.822 4.120 -0.002 0.000 0.253 505 V C 2.533 178.644 176.094 0.027 0.000 1.072 505 V CA 1.703 64.013 62.300 0.016 0.000 1.084 505 V CB -0.753 30.992 31.823 -0.130 0.000 0.676 505 V HN 0.388 nan 8.190 nan 0.000 0.469 506 H N -0.539 118.586 119.070 0.091 0.000 2.460 506 H HA -0.129 4.425 4.556 -0.002 0.000 0.297 506 H C 2.364 177.728 175.328 0.060 0.000 1.103 506 H CA 1.738 57.832 56.048 0.076 0.000 1.292 506 H CB -0.224 29.586 29.762 0.080 0.000 1.376 506 H HN 0.335 nan 8.280 nan 0.000 0.531 507 V N 1.575 121.587 119.914 0.164 0.000 2.469 507 V HA -0.229 3.890 4.120 -0.002 0.000 0.251 507 V C 1.868 177.911 176.094 -0.085 0.000 1.064 507 V CA 1.859 64.174 62.300 0.025 0.000 1.066 507 V CB -0.397 31.386 31.823 -0.067 0.000 0.667 507 V HN 0.345 nan 8.190 nan 0.000 0.461 508 I N -3.475 117.064 120.570 -0.051 0.000 3.889 508 I HA 0.307 4.476 4.170 -0.002 0.000 0.332 508 I C 1.162 177.292 176.117 0.021 0.000 1.493 508 I CA -0.067 61.188 61.300 -0.075 0.000 1.158 508 I CB -0.386 37.548 38.000 -0.109 0.000 1.117 508 I HN -0.084 nan 8.210 nan 0.000 0.411 509 D N 1.998 122.439 120.400 0.067 0.000 2.149 509 D HA -0.223 4.416 4.640 -0.002 0.000 0.194 509 D C 2.330 178.675 176.300 0.075 0.000 1.001 509 D CA 2.309 56.357 54.000 0.079 0.000 0.849 509 D CB -0.003 40.880 40.800 0.139 0.000 0.939 509 D HN 0.617 nan 8.370 nan 0.000 0.449 510 S N -0.353 115.401 115.700 0.090 0.000 2.428 510 S HA -0.074 4.395 4.470 -0.002 0.000 0.230 510 S C 2.088 176.715 174.600 0.045 0.000 1.014 510 S CA 0.509 58.767 58.200 0.095 0.000 0.957 510 S CB -0.291 62.997 63.200 0.146 0.000 0.784 510 S HN 0.220 nan 8.310 nan 0.000 0.499 511 M N 1.058 120.624 119.600 -0.056 0.000 2.175 511 M HA 0.068 4.547 4.480 -0.002 0.000 0.264 511 M C 2.124 178.403 176.300 -0.035 0.000 1.063 511 M CA 1.174 56.350 55.300 -0.206 0.000 1.119 511 M CB -0.777 31.584 32.600 -0.399 0.000 1.377 511 M HN 0.291 nan 8.290 nan 0.000 0.415 512 L N 0.399 121.633 121.223 0.019 0.000 2.012 512 L HA -0.263 4.076 4.340 -0.002 0.000 0.210 512 L C 2.247 179.177 176.870 0.100 0.000 1.073 512 L CA 1.112 56.000 54.840 0.081 0.000 0.748 512 L CB -1.065 41.039 42.059 0.075 0.000 0.891 512 L HN 0.357 nan 8.230 nan 0.000 0.431 513 N N -0.358 118.391 118.700 0.083 0.000 2.069 513 N HA -0.191 4.548 4.740 -0.002 0.000 0.191 513 N C 1.918 177.487 175.510 0.099 0.000 1.031 513 N CA 1.163 54.265 53.050 0.088 0.000 0.852 513 N CB -0.318 38.218 38.487 0.080 0.000 1.018 513 N HN 0.362 nan 8.380 nan 0.000 0.423 514 Q N -0.135 119.726 119.800 0.102 0.000 2.083 514 Q HA -0.112 4.227 4.340 -0.002 0.000 0.198 514 Q C 1.888 177.991 176.000 0.172 0.000 0.969 514 Q CA 1.152 57.031 55.803 0.126 0.000 0.838 514 Q CB -0.585 28.228 28.738 0.124 0.000 0.900 514 Q HN 0.605 nan 8.270 nan 0.000 0.436 515 H N 0.695 119.801 119.070 0.060 0.000 2.395 515 H HA 0.093 4.647 4.556 -0.002 0.000 0.299 515 H C 1.801 177.212 175.328 0.138 0.000 1.070 515 H CA 1.508 57.597 56.048 0.068 0.000 1.356 515 H CB 0.072 29.827 29.762 -0.012 0.000 1.401 515 H HN 0.220 nan 8.280 nan 0.000 0.524 516 A N 0.867 123.750 122.820 0.104 0.000 1.908 516 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 516 A C 2.242 179.852 177.584 0.045 0.000 1.181 516 A CA 1.806 53.879 52.037 0.060 0.000 0.627 516 A CB -0.395 18.657 19.000 0.087 0.000 0.818 516 A HN 0.463 nan 8.150 nan 0.000 0.445 517 K N -1.431 119.014 120.400 0.074 0.000 2.148 517 K HA -0.154 4.165 4.320 -0.002 0.000 0.204 517 K C 1.906 178.541 176.600 0.059 0.000 1.050 517 K CA 1.226 57.548 56.287 0.059 0.000 0.942 517 K CB -0.210 32.328 32.500 0.064 0.000 0.724 517 K HN 0.818 nan 8.250 nan 0.000 0.446 518 W N 1.604 122.833 121.300 -0.118 0.000 2.409 518 W HA -0.125 4.533 4.660 -0.002 0.000 0.299 518 W C 1.270 177.677 176.519 -0.186 0.000 1.203 518 W CA 1.095 58.352 57.345 -0.148 0.000 1.298 518 W CB -0.220 29.136 29.460 -0.173 0.000 1.127 518 W HN -0.004 nan 8.180 nan 0.000 0.528 519 L N 0.614 121.860 121.223 0.038 0.000 2.093 519 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 519 L C 2.494 179.329 176.870 -0.058 0.000 1.085 519 L CA 1.430 56.254 54.840 -0.027 0.000 0.755 519 L CB -0.813 41.217 42.059 -0.049 0.000 0.904 519 L HN -0.075 nan 8.230 nan 0.000 0.435 520 E N 0.373 120.548 120.200 -0.042 0.000 2.031 520 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 520 E C 2.350 178.895 176.600 -0.092 0.000 0.994 520 E CA 1.240 57.614 56.400 -0.042 0.000 0.800 520 E CB -0.207 29.480 29.700 -0.021 0.000 0.752 520 E HN 0.485 nan 8.360 nan 0.000 0.447 521 A N 0.878 123.616 122.820 -0.137 0.000 1.883 521 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 521 A C 2.401 179.854 177.584 -0.218 0.000 1.186 521 A CA 2.096 54.025 52.037 -0.180 0.000 0.624 521 A CB -0.987 17.876 19.000 -0.228 0.000 0.822 521 A HN 0.201 nan 8.150 nan 0.000 0.444 522 T N 0.016 114.395 114.554 -0.291 0.000 2.708 522 T HA -0.141 4.207 4.350 -0.002 0.000 0.266 522 T C 2.018 176.603 174.700 -0.192 0.000 1.037 522 T CA 2.185 64.096 62.100 -0.315 0.000 1.146 522 T CB -0.840 67.825 68.868 -0.338 0.000 0.865 522 T HN 0.673 nan 8.240 nan 0.000 0.435 523 V N 0.732 120.577 119.914 -0.115 0.000 2.490 523 V HA -0.101 4.018 4.120 -0.002 0.000 0.250 523 V C 2.250 178.322 176.094 -0.037 0.000 1.061 523 V CA 1.394 63.661 62.300 -0.055 0.000 1.064 523 V CB -0.792 31.027 31.823 -0.007 0.000 0.670 523 V HN 0.328 nan 8.190 nan 0.000 0.461 524 R N 1.534 122.007 120.500 -0.044 0.000 2.075 524 R HA 0.041 4.380 4.340 -0.002 0.000 0.226 524 R C 1.860 178.147 176.300 -0.021 0.000 1.114 524 R CA 1.639 57.732 56.100 -0.011 0.000 0.972 524 R CB -0.081 30.199 30.300 -0.033 0.000 0.869 524 R HN 0.892 nan 8.270 nan 0.000 0.437 525 E N -0.577 119.586 120.200 -0.063 0.000 2.794 525 E HA 0.140 4.489 4.350 -0.002 0.000 0.203 525 E C -0.230 176.330 176.600 -0.066 0.000 0.953 525 E CA -0.104 56.276 56.400 -0.032 0.000 1.284 525 E CB 0.451 30.151 29.700 -0.000 0.000 1.077 525 E HN 0.150 nan 8.360 nan 0.000 0.508 526 I N 2.145 122.588 120.570 -0.211 0.000 2.905 526 I HA 0.255 4.424 4.170 -0.002 0.000 0.297 526 I C -1.926 173.876 176.117 -0.524 0.000 1.358 526 I CA -2.033 58.982 61.300 -0.475 0.000 0.975 526 I CB 0.967 38.545 38.000 -0.704 0.000 1.857 526 I HN -0.103 nan 8.210 nan 0.000 0.612 527 P HA -0.132 nan 4.420 nan 0.000 0.226 527 P C 1.307 178.532 177.300 -0.126 0.000 1.153 527 P CA 1.199 64.210 63.100 -0.148 0.000 0.777 527 P CB -0.076 31.610 31.700 -0.023 0.000 0.794 528 W N 0.240 121.494 121.300 -0.076 0.000 3.047 528 W HA 0.194 4.853 4.660 -0.002 0.000 0.250 528 W C 0.470 176.957 176.519 -0.054 0.000 1.314 528 W CA -0.515 56.779 57.345 -0.086 0.000 1.540 528 W CB -1.006 28.361 29.460 -0.155 0.000 1.127 528 W HN -0.119 nan 8.180 nan 0.000 0.679 529 R N 3.076 123.245 120.500 -0.551 0.000 2.230 529 R HA 0.132 4.471 4.340 -0.002 0.000 0.337 529 R C 0.178 176.371 176.300 -0.178 0.000 1.063 529 R CA -0.360 55.485 56.100 -0.425 0.000 0.935 529 R CB 0.502 30.340 30.300 -0.771 0.000 1.121 529 R HN -0.362 nan 8.270 nan 0.000 0.486 530 K N 4.481 124.858 120.400 -0.038 0.000 2.202 530 K HA 0.226 4.545 4.320 -0.002 0.000 0.264 530 K C -2.349 174.252 176.600 0.002 0.000 1.010 530 K CA -2.429 53.854 56.287 -0.006 0.000 0.940 530 K CB 0.511 33.029 32.500 0.031 0.000 0.983 530 K HN 0.459 nan 8.250 nan 0.000 0.475 531 P HA 0.014 nan 4.420 nan 0.000 0.264 531 P C -0.154 177.170 177.300 0.040 0.000 1.193 531 P CA 0.173 63.292 63.100 0.031 0.000 0.763 531 P CB 0.194 31.919 31.700 0.042 0.000 0.810 532 I N -0.107 120.493 120.570 0.051 0.000 2.924 532 I HA 0.771 4.940 4.170 -0.002 0.000 0.316 532 I C 0.114 176.253 176.117 0.036 0.000 1.014 532 I CA -1.604 59.713 61.300 0.027 0.000 1.106 532 I CB 1.503 39.532 38.000 0.047 0.000 1.311 532 I HN 0.193 nan 8.210 nan 0.000 0.502 533 A N 2.788 125.589 122.820 -0.032 0.000 2.448 533 A HA 0.392 4.711 4.320 -0.002 0.000 0.239 533 A C 0.422 178.071 177.584 0.108 0.000 1.080 533 A CA -0.178 51.877 52.037 0.030 0.000 0.779 533 A CB -0.170 18.765 19.000 -0.109 0.000 1.026 533 A HN 0.803 nan 8.150 nan 0.000 0.499 534 S N 1.201 117.004 115.700 0.172 0.000 2.603 534 S HA 0.365 4.834 4.470 -0.002 0.000 0.268 534 S C 0.222 174.933 174.600 0.185 0.000 1.317 534 S CA -0.402 57.911 58.200 0.188 0.000 1.012 534 S CB 0.617 63.931 63.200 0.189 0.000 0.926 534 S HN 0.698 nan 8.310 nan 0.000 0.539 535 M N 3.812 123.524 119.600 0.187 0.000 2.069 535 M HA 0.261 4.740 4.480 -0.002 0.000 0.349 535 M C -1.260 175.155 176.300 0.191 0.000 1.194 535 M CA -0.390 55.006 55.300 0.159 0.000 1.081 535 M CB -0.546 32.102 32.600 0.079 0.000 1.500 535 M HN 0.468 nan 8.290 nan 0.000 0.438 536 N N 5.481 124.309 118.700 0.213 0.000 2.425 536 N HA 0.426 5.165 4.740 -0.002 0.000 0.268 536 N C -1.263 174.330 175.510 0.138 0.000 0.991 536 N CA -0.453 52.693 53.050 0.160 0.000 0.931 536 N CB 2.162 40.744 38.487 0.159 0.000 1.130 536 N HN 0.589 nan 8.380 nan 0.000 0.493 537 L N 3.100 124.326 121.223 0.005 0.000 2.372 537 L HA 0.424 4.763 4.340 -0.002 0.000 0.274 537 L C -1.264 175.486 176.870 -0.199 0.000 0.988 537 L CA -0.899 53.805 54.840 -0.226 0.000 0.833 537 L CB 1.362 43.232 42.059 -0.315 0.000 1.236 537 L HN 0.348 nan 8.230 nan 0.000 0.410 538 L N 6.697 127.806 121.223 -0.191 0.000 2.385 538 L HA 0.386 4.725 4.340 -0.002 0.000 0.281 538 L C -0.759 176.015 176.870 -0.160 0.000 1.106 538 L CA 0.329 55.100 54.840 -0.114 0.000 0.856 538 L CB 0.796 42.834 42.059 -0.036 0.000 1.186 538 L HN 0.451 nan 8.230 nan 0.000 0.453 539 V N 5.865 125.711 119.914 -0.114 0.000 2.334 539 V HA 0.500 4.619 4.120 -0.002 0.000 0.267 539 V C 0.440 176.532 176.094 -0.003 0.000 1.040 539 V CA 0.066 62.310 62.300 -0.093 0.000 0.866 539 V CB 0.308 32.078 31.823 -0.090 0.000 1.019 539 V HN 0.950 nan 8.190 nan 0.000 0.468 540 S N 2.871 118.578 115.700 0.012 0.000 2.900 540 S HA 0.573 5.042 4.470 -0.002 0.000 0.320 540 S C 0.288 174.865 174.600 -0.039 0.000 1.130 540 S CA 0.059 58.270 58.200 0.018 0.000 0.863 540 S CB 1.792 65.002 63.200 0.016 0.000 1.295 540 S HN 0.912 nan 8.310 nan 0.000 0.596 541 S N 1.712 117.311 115.700 -0.167 0.000 3.550 541 S HA -0.153 4.316 4.470 -0.002 0.000 0.372 541 S C -0.180 174.265 174.600 -0.258 0.000 0.966 541 S CA 1.405 59.420 58.200 -0.308 0.000 1.229 541 S CB -2.240 60.635 63.200 -0.542 0.000 0.917 541 S HN 0.951 nan 8.310 nan 0.000 0.496 542 H N -1.692 117.333 119.070 -0.076 0.000 2.437 542 H HA 0.671 5.226 4.556 -0.002 0.000 0.338 542 H C 1.541 176.751 175.328 -0.198 0.000 1.495 542 H CA -0.458 55.547 56.048 -0.072 0.000 1.453 542 H CB -0.373 29.469 29.762 0.133 0.000 1.707 542 H HN 0.088 nan 8.280 nan 0.000 0.655 543 V N -0.325 119.505 119.914 -0.140 0.000 2.490 543 V HA -0.188 3.931 4.120 -0.002 0.000 0.250 543 V C 1.190 176.975 176.094 -0.515 0.000 1.061 543 V CA 1.617 63.556 62.300 -0.601 0.000 1.064 543 V CB -0.966 30.106 31.823 -1.252 0.000 0.670 543 V HN 0.760 nan 8.190 nan 0.000 0.461 544 W N -0.127 121.237 121.300 0.107 0.000 2.595 544 W HA 0.168 4.827 4.660 -0.002 0.000 0.257 544 W C 1.463 178.052 176.519 0.116 0.000 1.267 544 W CA -0.148 57.256 57.345 0.098 0.000 1.300 544 W CB 0.132 29.659 29.460 0.111 0.000 1.120 544 W HN 0.003 nan 8.180 nan 0.000 0.618 545 R N 0.636 121.262 120.500 0.210 0.000 2.647 545 R HA 0.125 4.464 4.340 -0.002 0.000 0.295 545 R C -0.305 175.948 176.300 -0.078 0.000 1.267 545 R CA -0.088 56.048 56.100 0.059 0.000 1.386 545 R CB 0.194 30.508 30.300 0.022 0.000 1.309 545 R HN 0.052 nan 8.270 nan 0.000 0.692 546 Q N 1.356 121.102 119.800 -0.091 0.000 2.835 546 Q HA 0.085 4.424 4.340 -0.002 0.000 0.235 546 Q C 0.066 175.979 176.000 -0.144 0.000 1.313 546 Q CA 0.056 55.767 55.803 -0.153 0.000 1.053 546 Q CB 0.819 29.464 28.738 -0.155 0.000 1.443 546 Q HN 0.205 nan 8.270 nan 0.000 0.576 547 D N 0.003 120.289 120.400 -0.190 0.000 2.097 547 D HA -0.135 4.504 4.640 -0.002 0.000 0.197 547 D C 1.088 177.214 176.300 -0.291 0.000 0.984 547 D CA 1.238 55.082 54.000 -0.259 0.000 0.826 547 D CB 0.267 40.832 40.800 -0.391 0.000 0.973 547 D HN 0.523 nan 8.370 nan 0.000 0.460 548 H N 0.005 119.035 119.070 -0.067 0.000 2.547 548 H HA 0.148 4.703 4.556 -0.002 0.000 0.266 548 H C 1.066 176.336 175.328 -0.096 0.000 0.988 548 H CA 0.465 56.482 56.048 -0.052 0.000 1.147 548 H CB 0.485 30.230 29.762 -0.027 0.000 1.365 548 H HN 0.155 nan 8.280 nan 0.000 0.589 549 N N -0.509 118.123 118.700 -0.113 0.000 2.677 549 N HA 0.148 4.887 4.740 -0.002 0.000 0.242 549 N C 1.090 176.494 175.510 -0.177 0.000 1.044 549 N CA 1.086 53.960 53.050 -0.293 0.000 0.934 549 N CB 1.950 39.932 38.487 -0.841 0.000 1.595 549 N HN 0.373 nan 8.380 nan 0.000 0.459 550 G N 1.131 109.886 108.800 -0.075 0.000 2.483 550 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.521 550 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.521 550 G C 0.212 175.232 174.900 0.200 0.000 1.278 550 G CA -0.124 45.024 45.100 0.080 0.000 0.965 550 G HN 0.078 nan 8.290 nan 0.000 0.504 551 F N 1.948 121.944 119.950 0.077 0.000 2.091 551 F HA -0.143 4.383 4.527 -0.002 0.000 0.299 551 F C 3.183 179.067 175.800 0.139 0.000 1.103 551 F CA 3.049 61.108 58.000 0.098 0.000 1.228 551 F CB -0.681 38.374 39.000 0.092 0.000 0.984 551 F HN 0.922 nan 8.300 nan 0.000 0.477 552 S N -1.260 114.581 115.700 0.235 0.000 2.420 552 S HA -0.265 4.204 4.470 -0.002 0.000 0.237 552 S C 1.427 176.123 174.600 0.158 0.000 1.023 552 S CA 1.800 60.119 58.200 0.199 0.000 0.991 552 S CB -0.946 62.460 63.200 0.343 0.000 0.792 552 S HN 0.584 nan 8.310 nan 0.000 0.488 553 H N 0.887 119.932 119.070 -0.041 0.000 2.520 553 H HA 0.435 4.990 4.556 -0.002 0.000 0.284 553 H C -0.102 175.038 175.328 -0.313 0.000 1.037 553 H CA -0.156 55.753 56.048 -0.231 0.000 1.168 553 H CB 0.107 29.753 29.762 -0.194 0.000 1.497 553 H HN 0.554 nan 8.280 nan 0.000 0.547 554 Q N 1.092 120.773 119.800 -0.199 0.000 2.626 554 Q HA 0.211 4.550 4.340 -0.002 0.000 0.239 554 Q C -0.893 174.815 176.000 -0.486 0.000 1.101 554 Q CA -0.341 55.221 55.803 -0.401 0.000 0.918 554 Q CB 1.170 29.721 28.738 -0.313 0.000 1.151 554 Q HN 0.148 nan 8.270 nan 0.000 0.531 555 D N 2.460 122.631 120.400 -0.382 0.000 2.375 555 D HA 0.144 4.783 4.640 -0.002 0.000 0.241 555 D C -2.322 173.923 176.300 -0.091 0.000 1.361 555 D CA -1.691 52.208 54.000 -0.168 0.000 0.995 555 D CB 1.825 42.638 40.800 0.021 0.000 1.312 555 D HN 0.139 nan 8.370 nan 0.000 0.576 556 P HA 0.176 nan 4.420 nan 0.000 0.255 556 P C 1.149 178.552 177.300 0.172 0.000 1.357 556 P CA -0.066 62.966 63.100 -0.114 0.000 0.839 556 P CB 0.136 31.590 31.700 -0.412 0.000 1.356 557 G N 0.387 109.454 108.800 0.444 0.000 2.679 557 G HA2 -0.155 3.803 3.960 -0.002 0.000 0.212 557 G HA3 -0.155 3.803 3.960 -0.002 0.000 0.212 557 G C 1.413 176.431 174.900 0.196 0.000 1.137 557 G CA 0.048 45.458 45.100 0.515 0.000 0.787 557 G HN 0.237 nan 8.290 nan 0.000 0.534 558 V N 2.063 121.923 119.914 -0.091 0.000 2.370 558 V HA -0.284 3.835 4.120 -0.002 0.000 0.252 558 V C 3.305 179.410 176.094 0.017 0.000 1.068 558 V CA 3.333 65.547 62.300 -0.144 0.000 1.061 558 V CB -0.805 30.898 31.823 -0.199 0.000 0.656 558 V HN 0.659 nan 8.190 nan 0.000 0.455 559 T N -1.830 112.789 114.554 0.108 0.000 2.620 559 T HA -0.283 4.065 4.350 -0.002 0.000 0.267 559 T C 1.890 176.688 174.700 0.163 0.000 1.044 559 T CA 2.322 64.527 62.100 0.175 0.000 1.161 559 T CB -1.041 68.041 68.868 0.357 0.000 0.862 559 T HN 0.567 nan 8.240 nan 0.000 0.438 560 S N 1.124 116.938 115.700 0.190 0.000 2.382 560 S HA -0.023 4.446 4.470 -0.002 0.000 0.228 560 S C 2.287 176.941 174.600 0.090 0.000 1.027 560 S CA 1.042 59.326 58.200 0.140 0.000 0.991 560 S CB -0.694 62.575 63.200 0.115 0.000 0.823 560 S HN 0.399 nan 8.310 nan 0.000 0.469 561 V N 2.244 122.210 119.914 0.087 0.000 2.270 561 V HA -0.127 3.992 4.120 -0.002 0.000 0.245 561 V C 2.178 178.304 176.094 0.053 0.000 1.043 561 V CA 1.589 63.931 62.300 0.070 0.000 1.014 561 V CB -0.726 31.135 31.823 0.062 0.000 0.645 561 V HN 0.415 nan 8.190 nan 0.000 0.447 562 L N -0.748 120.497 121.223 0.036 0.000 2.201 562 L HA -0.123 4.216 4.340 -0.002 0.000 0.212 562 L C 2.273 179.145 176.870 0.003 0.000 1.105 562 L CA 1.047 55.899 54.840 0.020 0.000 0.775 562 L CB -0.547 41.510 42.059 -0.004 0.000 0.913 562 L HN 0.285 nan 8.230 nan 0.000 0.440 563 L N 0.002 121.229 121.223 0.008 0.000 2.265 563 L HA -0.171 4.168 4.340 -0.002 0.000 0.215 563 L C 1.543 178.372 176.870 -0.068 0.000 1.117 563 L CA 0.624 55.440 54.840 -0.039 0.000 0.782 563 L CB -0.487 41.570 42.059 -0.003 0.000 0.914 563 L HN 0.366 nan 8.230 nan 0.000 0.441 564 N N -0.053 118.666 118.700 0.032 0.000 2.515 564 N HA -0.043 4.696 4.740 -0.002 0.000 0.191 564 N C 0.547 176.179 175.510 0.205 0.000 1.182 564 N CA 0.617 53.754 53.050 0.146 0.000 0.879 564 N CB 0.178 38.752 38.487 0.145 0.000 0.984 564 N HN 0.194 nan 8.380 nan 0.000 0.453 565 K N -0.150 120.290 120.400 0.066 0.000 2.792 565 K HA 0.267 4.586 4.320 -0.002 0.000 0.207 565 K C -0.602 175.990 176.600 -0.014 0.000 1.103 565 K CA -0.184 56.164 56.287 0.102 0.000 1.048 565 K CB -0.001 32.549 32.500 0.084 0.000 0.777 565 K HN -0.032 nan 8.250 nan 0.000 0.468 566 C N 1.698 120.820 119.300 -0.295 0.000 2.717 566 C HA 0.523 4.981 4.460 -0.002 0.000 0.306 566 C C -0.458 174.148 174.990 -0.641 0.000 1.225 566 C CA -0.717 58.081 59.018 -0.367 0.000 1.658 566 C CB -1.612 25.931 27.740 -0.327 0.000 1.714 566 C HN 0.200 nan 8.230 nan 0.000 0.463 567 F N -0.468 119.494 119.950 0.020 0.000 2.593 567 F HA 0.487 5.013 4.527 -0.002 0.000 0.320 567 F C 0.917 176.758 175.800 0.069 0.000 1.060 567 F CA -0.623 57.401 58.000 0.041 0.000 0.940 567 F CB 0.635 39.661 39.000 0.043 0.000 1.268 567 F HN 0.519 nan 8.300 nan 0.000 0.475 568 H N 1.055 120.211 119.070 0.143 0.000 2.992 568 H HA -0.221 4.334 4.556 -0.002 0.000 0.266 568 H C 0.390 175.671 175.328 -0.078 0.000 1.200 568 H CA 0.582 56.655 56.048 0.042 0.000 1.135 568 H CB -1.324 28.469 29.762 0.051 0.000 1.282 568 H HN 0.653 nan 8.280 nan 0.000 0.351 569 N N 0.046 118.635 118.700 -0.185 0.000 2.701 569 N HA -0.219 4.520 4.740 -0.002 0.000 0.250 569 N C 0.288 175.457 175.510 -0.568 0.000 1.046 569 N CA 1.290 54.009 53.050 -0.552 0.000 0.733 569 N CB -0.607 37.694 38.487 -0.310 0.000 0.973 569 N HN 0.673 nan 8.380 nan 0.000 0.541 570 D N -0.097 120.156 120.400 -0.245 0.000 2.178 570 D HA -0.093 4.545 4.640 -0.002 0.000 0.202 570 D C 0.394 176.644 176.300 -0.083 0.000 0.974 570 D CA 0.907 54.853 54.000 -0.090 0.000 0.841 570 D CB -0.165 40.648 40.800 0.021 0.000 0.953 570 D HN 0.476 nan 8.370 nan 0.000 0.478 571 H N -1.087 118.016 119.070 0.057 0.000 2.756 571 H HA -0.102 4.453 4.556 -0.002 0.000 0.315 571 H C 0.973 176.331 175.328 0.049 0.000 1.210 571 H CA 0.741 56.816 56.048 0.044 0.000 1.150 571 H CB -1.971 27.820 29.762 0.048 0.000 1.463 571 H HN 0.198 nan 8.280 nan 0.000 0.427 572 V N -2.567 117.417 119.914 0.116 0.000 3.483 572 V HA 0.324 4.443 4.120 -0.002 0.000 0.301 572 V C 0.787 176.935 176.094 0.090 0.000 1.389 572 V CA 0.065 62.423 62.300 0.097 0.000 1.101 572 V CB 0.720 32.581 31.823 0.063 0.000 0.971 572 V HN 0.156 nan 8.190 nan 0.000 0.434 573 I N 1.741 122.355 120.570 0.074 0.000 2.498 573 I HA 0.775 4.944 4.170 -0.002 0.000 0.290 573 I C 0.315 176.425 176.117 -0.012 0.000 1.032 573 I CA -0.332 60.988 61.300 0.034 0.000 1.073 573 I CB 1.369 39.370 38.000 0.001 0.000 1.251 573 I HN 0.207 nan 8.210 nan 0.000 0.426 574 G N 6.691 115.465 108.800 -0.043 0.000 2.470 574 G HA2 0.774 4.733 3.960 -0.002 0.000 0.320 574 G HA3 0.774 4.733 3.960 -0.002 0.000 0.320 574 G C -0.921 173.725 174.900 -0.424 0.000 1.245 574 G CA -0.351 44.593 45.100 -0.261 0.000 0.935 574 G HN 0.452 nan 8.290 nan 0.000 0.476 575 I N 2.166 122.286 120.570 -0.750 0.000 2.448 575 I HA 0.337 4.506 4.170 -0.002 0.000 0.281 575 I C -1.237 174.424 176.117 -0.759 0.000 1.027 575 I CA -0.677 60.280 61.300 -0.571 0.000 1.111 575 I CB 1.357 39.166 38.000 -0.318 0.000 1.236 575 I HN 0.368 nan 8.210 nan 0.000 0.452 576 Y N 5.137 125.224 120.300 -0.355 0.000 2.499 576 Y HA 0.598 5.147 4.550 -0.002 0.000 0.347 576 Y C -0.702 174.876 175.900 -0.536 0.000 0.987 576 Y CA -0.959 56.957 58.100 -0.306 0.000 1.044 576 Y CB 1.825 40.214 38.460 -0.118 0.000 1.245 576 Y HN 0.261 nan 8.280 nan 0.000 0.461 577 F N 1.357 121.429 119.950 0.203 0.000 2.403 577 F HA 0.612 5.138 4.527 -0.002 0.000 0.355 577 F C 0.219 176.094 175.800 0.125 0.000 1.119 577 F CA -1.215 56.843 58.000 0.097 0.000 1.007 577 F CB 1.307 40.348 39.000 0.069 0.000 1.194 577 F HN 0.595 nan 8.300 nan 0.000 0.443 578 A N 2.679 125.645 122.820 0.243 0.000 2.475 578 A HA 0.302 4.621 4.320 -0.002 0.000 0.293 578 A C 1.202 178.940 177.584 0.256 0.000 1.252 578 A CA -0.139 52.023 52.037 0.208 0.000 0.920 578 A CB -0.331 18.758 19.000 0.148 0.000 1.125 578 A HN 0.888 nan 8.150 nan 0.000 0.528 579 T N 1.538 116.267 114.554 0.291 0.000 2.788 579 T HA -0.036 4.313 4.350 -0.002 0.000 0.268 579 T C 0.465 175.409 174.700 0.406 0.000 1.044 579 T CA 1.863 64.179 62.100 0.359 0.000 1.139 579 T CB -0.419 68.716 68.868 0.445 0.000 0.867 579 T HN 0.961 nan 8.240 nan 0.000 0.454 580 D N -1.793 118.792 120.400 0.310 0.000 2.851 580 D HA 0.578 5.217 4.640 -0.002 0.000 0.339 580 D C 0.815 177.212 176.300 0.162 0.000 1.347 580 D CA -0.199 53.940 54.000 0.232 0.000 0.888 580 D CB 0.298 41.228 40.800 0.218 0.000 1.431 580 D HN -0.094 nan 8.370 nan 0.000 0.509 581 A N -0.324 122.567 122.820 0.118 0.000 1.978 581 A HA -0.187 4.132 4.320 -0.002 0.000 0.220 581 A C 1.615 179.243 177.584 0.073 0.000 1.170 581 A CA 1.690 53.782 52.037 0.092 0.000 0.636 581 A CB -0.913 18.139 19.000 0.087 0.000 0.810 581 A HN 0.500 nan 8.150 nan 0.000 0.448 582 N N -1.182 117.566 118.700 0.079 0.000 2.250 582 N HA -0.074 4.665 4.740 -0.002 0.000 0.181 582 N C 1.603 177.150 175.510 0.062 0.000 1.017 582 N CA 1.607 54.689 53.050 0.053 0.000 0.866 582 N CB -0.363 38.152 38.487 0.047 0.000 0.985 582 N HN 0.495 nan 8.380 nan 0.000 0.429 583 M N 0.702 120.369 119.600 0.112 0.000 2.175 583 M HA 0.009 4.488 4.480 -0.002 0.000 0.264 583 M C 1.713 178.056 176.300 0.072 0.000 1.063 583 M CA 0.949 56.322 55.300 0.122 0.000 1.119 583 M CB -0.510 32.212 32.600 0.202 0.000 1.377 583 M HN 0.063 nan 8.290 nan 0.000 0.415 584 L N 0.039 121.307 121.223 0.075 0.000 2.042 584 L HA -0.158 4.181 4.340 -0.002 0.000 0.210 584 L C 2.051 178.915 176.870 -0.011 0.000 1.076 584 L CA 1.934 56.798 54.840 0.039 0.000 0.749 584 L CB -0.956 41.141 42.059 0.062 0.000 0.893 584 L HN 0.441 nan 8.230 nan 0.000 0.432 585 L N -1.006 120.197 121.223 -0.033 0.000 2.083 585 L HA -0.162 4.177 4.340 -0.002 0.000 0.209 585 L C 2.589 179.386 176.870 -0.122 0.000 1.083 585 L CA 1.147 55.906 54.840 -0.135 0.000 0.752 585 L CB -0.802 41.148 42.059 -0.181 0.000 0.899 585 L HN 0.359 nan 8.230 nan 0.000 0.433 586 A N 0.153 122.935 122.820 -0.065 0.000 1.897 586 A HA -0.114 4.205 4.320 -0.002 0.000 0.215 586 A C 2.203 179.732 177.584 -0.092 0.000 1.181 586 A CA 1.205 53.211 52.037 -0.052 0.000 0.620 586 A CB -0.555 18.442 19.000 -0.004 0.000 0.821 586 A HN 0.307 nan 8.150 nan 0.000 0.443 587 I N -0.000 120.489 120.570 -0.134 0.000 2.179 587 I HA -0.294 3.875 4.170 -0.002 0.000 0.242 587 I C 2.960 178.906 176.117 -0.284 0.000 1.088 587 I CA 1.194 62.309 61.300 -0.309 0.000 1.357 587 I CB -0.334 37.478 38.000 -0.314 0.000 1.051 587 I HN 0.341 nan 8.210 nan 0.000 0.409 588 A N 0.203 122.922 122.820 -0.168 0.000 1.933 588 A HA -0.267 4.051 4.320 -0.002 0.000 0.218 588 A C 2.342 179.872 177.584 -0.089 0.000 1.175 588 A CA 1.988 53.910 52.037 -0.191 0.000 0.628 588 A CB -0.649 18.368 19.000 0.029 0.000 0.814 588 A HN 0.565 nan 8.150 nan 0.000 0.444 589 E N -0.194 120.060 120.200 0.090 0.000 2.107 589 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 589 E C 2.077 178.746 176.600 0.114 0.000 0.982 589 E CA 1.232 57.767 56.400 0.226 0.000 0.809 589 E CB -0.172 29.615 29.700 0.146 0.000 0.756 589 E HN 0.563 nan 8.360 nan 0.000 0.459 590 K N 0.323 120.721 120.400 -0.004 0.000 2.026 590 K HA -0.137 4.182 4.320 -0.002 0.000 0.208 590 K C 2.177 178.773 176.600 -0.005 0.000 1.048 590 K CA 1.508 57.786 56.287 -0.014 0.000 0.929 590 K CB -0.245 32.199 32.500 -0.094 0.000 0.713 590 K HN 0.287 nan 8.250 nan 0.000 0.439 591 C N 0.382 119.617 119.300 -0.110 0.000 2.413 591 C HA -0.135 4.324 4.460 -0.002 0.000 0.277 591 C C 2.546 177.579 174.990 0.072 0.000 1.228 591 C CA 0.496 59.473 59.018 -0.068 0.000 1.731 591 C CB -1.194 26.421 27.740 -0.208 0.000 2.042 591 C HN 0.482 nan 8.230 nan 0.000 0.468 592 Y N 1.379 121.761 120.300 0.137 0.000 2.315 592 Y HA -0.127 4.422 4.550 -0.002 0.000 0.288 592 Y C 2.349 178.341 175.900 0.154 0.000 1.154 592 Y CA 1.212 59.412 58.100 0.167 0.000 1.229 592 Y CB -0.663 37.870 38.460 0.122 0.000 0.980 592 Y HN 0.437 nan 8.280 nan 0.000 0.540 593 K N -0.099 120.461 120.400 0.267 0.000 2.361 593 K HA 0.048 4.367 4.320 -0.002 0.000 0.196 593 K C 1.057 177.765 176.600 0.180 0.000 1.039 593 K CA 0.455 56.861 56.287 0.198 0.000 1.001 593 K CB 0.132 32.719 32.500 0.146 0.000 0.795 593 K HN 0.168 nan 8.250 nan 0.000 0.495 594 S N 0.806 116.612 115.700 0.176 0.000 2.614 594 S HA 0.217 4.686 4.470 -0.002 0.000 0.265 594 S C 0.151 174.852 174.600 0.168 0.000 1.303 594 S CA -0.554 57.738 58.200 0.153 0.000 1.000 594 S CB 1.141 64.426 63.200 0.142 0.000 0.935 594 S HN 0.185 nan 8.310 nan 0.000 0.551 595 T N -0.888 113.751 114.554 0.142 0.000 2.903 595 T HA 0.575 4.924 4.350 -0.002 0.000 0.299 595 T C -0.565 174.207 174.700 0.119 0.000 1.093 595 T CA -0.989 61.189 62.100 0.130 0.000 1.002 595 T CB 0.924 69.857 68.868 0.108 0.000 1.127 595 T HN 0.652 nan 8.240 nan 0.000 0.488 596 N N 0.270 119.040 118.700 0.116 0.000 2.754 596 N HA -0.139 4.600 4.740 -0.002 0.000 0.248 596 N C -0.760 174.819 175.510 0.116 0.000 1.093 596 N CA 1.026 54.139 53.050 0.105 0.000 0.699 596 N CB -1.145 37.386 38.487 0.074 0.000 1.016 596 N HN 0.808 nan 8.380 nan 0.000 0.552 597 K N -0.332 120.157 120.400 0.148 0.000 2.466 597 K HA 0.665 4.984 4.320 -0.002 0.000 0.260 597 K C -0.188 176.526 176.600 0.190 0.000 1.011 597 K CA -0.671 55.707 56.287 0.152 0.000 0.871 597 K CB 1.851 34.443 32.500 0.153 0.000 1.404 597 K HN -0.039 nan 8.250 nan 0.000 0.450 598 I N 2.147 122.820 120.570 0.173 0.000 2.362 598 I HA 0.253 4.422 4.170 -0.002 0.000 0.289 598 I C -0.876 175.322 176.117 0.134 0.000 0.994 598 I CA -0.786 60.620 61.300 0.176 0.000 1.158 598 I CB 1.238 39.342 38.000 0.173 0.000 1.315 598 I HN 0.396 nan 8.210 nan 0.000 0.451 599 N N 5.785 124.571 118.700 0.142 0.000 2.408 599 N HA 0.533 5.272 4.740 -0.002 0.000 0.280 599 N C -0.670 174.895 175.510 0.092 0.000 1.002 599 N CA -0.420 52.723 53.050 0.156 0.000 0.907 599 N CB 2.350 40.966 38.487 0.215 0.000 1.161 599 N HN 0.582 nan 8.380 nan 0.000 0.488 600 A N 3.124 125.971 122.820 0.045 0.000 2.260 600 A HA 0.577 4.896 4.320 -0.002 0.000 0.314 600 A C -0.003 177.580 177.584 -0.002 0.000 1.257 600 A CA -0.562 51.459 52.037 -0.027 0.000 0.871 600 A CB 0.037 18.981 19.000 -0.093 0.000 1.166 600 A HN 0.687 nan 8.150 nan 0.000 0.522 601 I N 4.055 124.613 120.570 -0.020 0.000 2.371 601 I HA 0.254 4.423 4.170 -0.002 0.000 0.282 601 I C -0.794 175.295 176.117 -0.046 0.000 1.031 601 I CA -0.133 61.164 61.300 -0.004 0.000 1.180 601 I CB 1.054 39.041 38.000 -0.022 0.000 1.336 601 I HN 0.517 nan 8.210 nan 0.000 0.467 602 I N 6.231 126.747 120.570 -0.090 0.000 2.301 602 I HA 0.554 4.723 4.170 -0.002 0.000 0.292 602 I C 0.301 176.452 176.117 0.055 0.000 1.046 602 I CA 0.142 61.404 61.300 -0.065 0.000 1.282 602 I CB 0.990 38.874 38.000 -0.193 0.000 1.409 602 I HN 0.595 nan 8.210 nan 0.000 0.484 603 A N 4.689 127.583 122.820 0.123 0.000 2.486 603 A HA 0.792 5.111 4.320 -0.002 0.000 0.300 603 A C -0.195 177.515 177.584 0.210 0.000 1.048 603 A CA -0.619 51.519 52.037 0.168 0.000 0.696 603 A CB 1.272 20.334 19.000 0.103 0.000 1.278 603 A HN 0.702 nan 8.150 nan 0.000 0.405 604 G N 0.272 109.214 108.800 0.237 0.000 2.390 604 G HA2 0.446 4.405 3.960 -0.002 0.000 0.270 604 G HA3 0.446 4.405 3.960 -0.002 0.000 0.270 604 G C 0.505 175.413 174.900 0.013 0.000 1.211 604 G CA -0.013 45.140 45.100 0.088 0.000 0.842 604 G HN 0.978 nan 8.290 nan 0.000 0.519 605 K N 0.751 121.107 120.400 -0.074 0.000 2.358 605 K HA 0.101 4.420 4.320 -0.002 0.000 0.197 605 K C 0.751 177.339 176.600 -0.020 0.000 1.025 605 K CA -0.332 55.939 56.287 -0.026 0.000 1.104 605 K CB 0.267 32.751 32.500 -0.026 0.000 0.855 605 K HN 0.513 nan 8.250 nan 0.000 0.531 606 Q N 1.721 121.503 119.800 -0.030 0.000 2.312 606 Q HA 0.312 4.651 4.340 -0.002 0.000 0.236 606 Q C -2.670 173.340 176.000 0.016 0.000 0.965 606 Q CA -2.396 53.406 55.803 -0.002 0.000 0.894 606 Q CB 0.189 28.932 28.738 0.008 0.000 1.225 606 Q HN -0.125 nan 8.270 nan 0.000 0.478 607 P HA 0.288 nan 4.420 nan 0.000 0.267 607 P C -1.350 175.944 177.300 -0.010 0.000 1.205 607 P CA 0.312 63.400 63.100 -0.020 0.000 0.765 607 P CB 0.671 32.349 31.700 -0.036 0.000 0.828 608 A N 2.510 125.303 122.820 -0.045 0.000 2.612 608 A HA 0.727 5.046 4.320 -0.002 0.000 0.293 608 A C -0.796 176.692 177.584 -0.161 0.000 1.075 608 A CA -0.616 51.402 52.037 -0.031 0.000 0.680 608 A CB 1.016 20.059 19.000 0.072 0.000 1.279 608 A HN 0.505 nan 8.150 nan 0.000 0.411 609 A N 0.376 123.055 122.820 -0.235 0.000 2.466 609 A HA 0.565 4.884 4.320 -0.002 0.000 0.238 609 A C 0.427 177.679 177.584 -0.553 0.000 1.074 609 A CA 0.644 52.358 52.037 -0.538 0.000 0.774 609 A CB -0.321 18.152 19.000 -0.878 0.000 1.015 609 A HN 1.021 nan 8.150 nan 0.000 0.498 610 T N 1.419 115.683 114.554 -0.483 0.000 2.771 610 T HA 0.344 4.693 4.350 -0.002 0.000 0.281 610 T C 0.214 174.667 174.700 -0.412 0.000 0.982 610 T CA -0.073 61.870 62.100 -0.263 0.000 0.978 610 T CB 0.689 69.574 68.868 0.028 0.000 0.930 610 T HN 0.738 nan 8.240 nan 0.000 0.447 611 W N 2.013 123.354 121.300 0.068 0.000 2.640 611 W HA 0.414 5.073 4.660 -0.002 0.000 0.271 611 W C 0.307 176.731 176.519 -0.158 0.000 1.218 611 W CA -0.471 56.857 57.345 -0.028 0.000 1.382 611 W CB 0.404 29.895 29.460 0.053 0.000 1.067 611 W HN 0.296 nan 8.180 nan 0.000 0.590 612 L N 0.658 121.947 121.223 0.110 0.000 2.354 612 L HA 0.443 4.782 4.340 -0.002 0.000 0.269 612 L C 0.782 177.642 176.870 -0.016 0.000 1.005 612 L CA -0.967 53.886 54.840 0.022 0.000 0.819 612 L CB 1.794 43.919 42.059 0.109 0.000 1.311 612 L HN -0.234 nan 8.230 nan 0.000 0.423 613 T N -1.483 113.032 114.554 -0.065 0.000 2.726 613 T HA 0.120 4.469 4.350 -0.002 0.000 0.294 613 T C 0.855 175.545 174.700 -0.017 0.000 1.013 613 T CA -0.481 61.576 62.100 -0.072 0.000 0.996 613 T CB 0.887 69.695 68.868 -0.099 0.000 1.016 613 T HN 0.483 nan 8.240 nan 0.000 0.529 614 L N 0.252 121.461 121.223 -0.022 0.000 2.141 614 L HA 0.058 4.397 4.340 -0.002 0.000 0.209 614 L C 1.907 178.783 176.870 0.010 0.000 1.094 614 L CA 1.808 56.647 54.840 -0.003 0.000 0.763 614 L CB -1.022 41.026 42.059 -0.019 0.000 0.908 614 L HN 0.674 nan 8.230 nan 0.000 0.437 615 D N -0.310 120.090 120.400 0.000 0.000 2.123 615 D HA -0.153 4.486 4.640 -0.002 0.000 0.200 615 D C 2.054 178.378 176.300 0.041 0.000 0.976 615 D CA 1.236 55.244 54.000 0.014 0.000 0.831 615 D CB 0.076 40.877 40.800 0.002 0.000 0.974 615 D HN 0.499 nan 8.370 nan 0.000 0.469 616 E N 0.758 120.984 120.200 0.043 0.000 2.077 616 E HA -0.129 4.220 4.350 -0.002 0.000 0.193 616 E C 2.088 178.763 176.600 0.125 0.000 0.989 616 E CA 1.072 57.525 56.400 0.087 0.000 0.800 616 E CB -0.034 29.712 29.700 0.076 0.000 0.746 616 E HN 0.177 nan 8.360 nan 0.000 0.452 617 A N 1.426 124.313 122.820 0.112 0.000 1.902 617 A HA -0.187 4.131 4.320 -0.002 0.000 0.217 617 A C 2.061 179.712 177.584 0.111 0.000 1.181 617 A CA 1.282 53.401 52.037 0.138 0.000 0.623 617 A CB -0.375 18.694 19.000 0.116 0.000 0.818 617 A HN 0.066 nan 8.150 nan 0.000 0.443 618 R N -0.632 119.913 120.500 0.074 0.000 2.096 618 R HA -0.102 4.237 4.340 -0.002 0.000 0.235 618 R C 2.440 178.786 176.300 0.077 0.000 1.127 618 R CA 1.170 57.307 56.100 0.061 0.000 0.968 618 R CB -0.410 29.914 30.300 0.041 0.000 0.861 618 R HN 0.542 nan 8.270 nan 0.000 0.440 619 A N 1.030 123.902 122.820 0.087 0.000 1.872 619 A HA -0.195 4.124 4.320 -0.002 0.000 0.214 619 A C 2.031 179.681 177.584 0.110 0.000 1.187 619 A CA 1.315 53.406 52.037 0.090 0.000 0.614 619 A CB -0.431 18.623 19.000 0.090 0.000 0.826 619 A HN 0.388 nan 8.150 nan 0.000 0.442 620 E N -0.594 119.695 120.200 0.147 0.000 2.118 620 E HA -0.220 4.129 4.350 -0.002 0.000 0.195 620 E C 1.866 178.557 176.600 0.151 0.000 0.992 620 E CA 1.359 57.860 56.400 0.170 0.000 0.804 620 E CB -0.190 29.663 29.700 0.254 0.000 0.741 620 E HN 0.393 nan 8.360 nan 0.000 0.458 621 L N 1.574 122.882 121.223 0.141 0.000 2.046 621 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 621 L C 2.306 179.248 176.870 0.121 0.000 1.077 621 L CA 2.197 57.117 54.840 0.134 0.000 0.747 621 L CB -0.593 41.522 42.059 0.094 0.000 0.896 621 L HN 0.171 nan 8.230 nan 0.000 0.432 622 E N -0.451 119.807 120.200 0.096 0.000 2.097 622 E HA -0.239 4.110 4.350 -0.002 0.000 0.196 622 E C 1.853 178.505 176.600 0.087 0.000 1.000 622 E CA 1.644 58.094 56.400 0.082 0.000 0.804 622 E CB 0.023 29.764 29.700 0.069 0.000 0.740 622 E HN 0.280 nan 8.360 nan 0.000 0.454 623 K N -1.825 118.631 120.400 0.094 0.000 2.284 623 K HA 0.249 4.568 4.320 -0.002 0.000 0.198 623 K C 1.642 178.311 176.600 0.115 0.000 1.048 623 K CA 0.882 57.226 56.287 0.094 0.000 0.987 623 K CB 0.436 32.985 32.500 0.082 0.000 0.800 623 K HN 0.317 nan 8.250 nan 0.000 0.486 624 G N 0.666 109.546 108.800 0.133 0.000 2.279 624 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.223 624 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.223 624 G C 0.206 175.202 174.900 0.161 0.000 1.015 624 G CA 0.177 45.376 45.100 0.165 0.000 0.621 624 G HN 0.664 nan 8.290 nan 0.000 0.506 625 A N -0.708 122.181 122.820 0.115 0.000 2.556 625 A HA 1.115 5.434 4.320 -0.002 0.000 0.294 625 A C -0.315 177.252 177.584 -0.029 0.000 1.091 625 A CA 0.247 52.311 52.037 0.044 0.000 0.704 625 A CB 1.551 20.581 19.000 0.050 0.000 1.300 625 A HN 2.225 nan 8.150 nan 0.000 0.406 626 A N 0.124 122.873 122.820 -0.117 0.000 2.547 626 A HA 0.819 5.137 4.320 -0.002 0.000 0.297 626 A C -0.043 177.404 177.584 -0.228 0.000 1.056 626 A CA 0.023 52.007 52.037 -0.089 0.000 0.688 626 A CB 0.841 19.907 19.000 0.110 0.000 1.282 626 A HN 2.560 nan 8.150 nan 0.000 0.400 627 A N 1.066 123.766 122.820 -0.199 0.000 2.540 627 A HA 0.397 4.716 4.320 -0.002 0.000 0.239 627 A C -0.705 176.889 177.584 0.017 0.000 1.061 627 A CA 0.389 52.310 52.037 -0.194 0.000 0.758 627 A CB -0.288 18.621 19.000 -0.150 0.000 0.991 627 A HN 0.840 nan 8.150 nan 0.000 0.502 628 W N 2.500 123.533 121.300 -0.446 0.000 2.253 628 W HA 0.315 4.974 4.660 -0.002 0.000 0.348 628 W C 0.046 176.104 176.519 -0.768 0.000 0.920 628 W CA -1.171 55.703 57.345 -0.785 0.000 1.518 628 W CB 0.456 29.254 29.460 -1.104 0.000 1.446 628 W HN 0.824 nan 8.180 nan 0.000 0.361 629 D N 1.127 121.366 120.400 -0.268 0.000 2.117 629 D HA -0.221 4.418 4.640 -0.002 0.000 0.197 629 D C 2.228 178.458 176.300 -0.116 0.000 0.987 629 D CA 1.560 55.482 54.000 -0.130 0.000 0.829 629 D CB -0.406 40.393 40.800 -0.002 0.000 0.961 629 D HN 0.553 nan 8.370 nan 0.000 0.460 630 W N 1.068 122.365 121.300 -0.005 0.000 2.387 630 W HA 0.048 4.707 4.660 -0.002 0.000 0.272 630 W C 1.414 177.972 176.519 0.065 0.000 1.224 630 W CA 0.880 58.222 57.345 -0.006 0.000 1.210 630 W CB -0.716 28.683 29.460 -0.101 0.000 1.125 630 W HN -0.064 nan 8.180 nan 0.000 0.572 631 A N 0.506 123.091 122.820 -0.392 0.000 2.252 631 A HA 0.221 4.540 4.320 -0.002 0.000 0.213 631 A C 0.946 178.566 177.584 0.060 0.000 1.188 631 A CA -0.002 51.967 52.037 -0.112 0.000 0.863 631 A CB -0.392 18.285 19.000 -0.539 0.000 0.893 631 A HN 0.043 nan 8.150 nan 0.000 0.495 632 S N 0.524 116.182 115.700 -0.071 0.000 2.537 632 S HA 0.322 4.790 4.470 -0.002 0.000 0.275 632 S C 1.528 175.963 174.600 -0.274 0.000 1.272 632 S CA 0.208 58.341 58.200 -0.111 0.000 1.050 632 S CB 1.398 64.520 63.200 -0.130 0.000 0.961 632 S HN 0.588 nan 8.310 nan 0.000 0.496 633 T N 0.602 114.729 114.554 -0.712 0.000 2.978 633 T HA 0.189 4.538 4.350 -0.002 0.000 0.262 633 T C 0.839 175.328 174.700 -0.353 0.000 1.063 633 T CA 0.339 62.104 62.100 -0.557 0.000 1.140 633 T CB -0.118 68.305 68.868 -0.741 0.000 0.886 633 T HN 0.620 nan 8.240 nan 0.000 0.470 634 A N 1.549 124.165 122.820 -0.339 0.000 2.440 634 A HA 0.355 4.674 4.320 -0.002 0.000 0.251 634 A C 1.354 178.864 177.584 -0.123 0.000 1.089 634 A CA -0.476 51.450 52.037 -0.184 0.000 0.779 634 A CB 0.348 19.263 19.000 -0.142 0.000 1.022 634 A HN 0.358 nan 8.150 nan 0.000 0.492 635 K N 0.655 121.004 120.400 -0.085 0.000 2.097 635 K HA -0.124 4.195 4.320 -0.002 0.000 0.205 635 K C 0.228 176.799 176.600 -0.048 0.000 1.050 635 K CA 1.743 57.995 56.287 -0.057 0.000 0.938 635 K CB -0.139 32.337 32.500 -0.040 0.000 0.718 635 K HN 0.976 nan 8.250 nan 0.000 0.442 636 N N -2.279 116.392 118.700 -0.049 0.000 3.106 636 N HA 0.061 4.800 4.740 -0.002 0.000 0.253 636 N C -0.281 175.206 175.510 -0.040 0.000 1.506 636 N CA -0.693 52.334 53.050 -0.038 0.000 0.876 636 N CB 0.001 38.473 38.487 -0.024 0.000 1.452 636 N HN -0.355 nan 8.380 nan 0.000 0.542 637 N N -0.332 118.350 118.700 -0.030 0.000 2.244 637 N HA -0.059 4.680 4.740 -0.002 0.000 0.183 637 N C 0.143 175.644 175.510 -0.015 0.000 1.016 637 N CA 1.004 54.040 53.050 -0.024 0.000 0.866 637 N CB -0.310 38.170 38.487 -0.012 0.000 0.980 637 N HN 0.533 nan 8.380 nan 0.000 0.430 638 D N 0.468 120.862 120.400 -0.011 0.000 2.178 638 D HA -0.129 4.510 4.640 -0.002 0.000 0.202 638 D C 1.579 177.873 176.300 -0.010 0.000 0.974 638 D CA 0.738 54.734 54.000 -0.006 0.000 0.841 638 D CB -0.002 40.795 40.800 -0.004 0.000 0.953 638 D HN 0.466 nan 8.370 nan 0.000 0.478 639 E N 0.277 120.465 120.200 -0.019 0.000 2.216 639 E HA 0.066 4.415 4.350 -0.002 0.000 0.192 639 E C 0.363 176.947 176.600 -0.027 0.000 0.988 639 E CA -0.094 56.291 56.400 -0.025 0.000 0.834 639 E CB 0.190 29.867 29.700 -0.038 0.000 0.772 639 E HN 0.068 nan 8.360 nan 0.000 0.479 640 A N 1.535 124.337 122.820 -0.029 0.000 2.545 640 A HA -0.074 4.245 4.320 -0.002 0.000 0.253 640 A C 0.431 178.017 177.584 0.003 0.000 1.074 640 A CA 0.254 52.279 52.037 -0.020 0.000 0.760 640 A CB 0.083 19.070 19.000 -0.021 0.000 1.005 640 A HN 0.330 nan 8.150 nan 0.000 0.506 641 E N 1.405 121.619 120.200 0.022 0.000 2.442 641 E HA 0.236 4.585 4.350 -0.002 0.000 0.195 641 E C -0.052 176.567 176.600 0.031 0.000 1.030 641 E CA 0.410 56.831 56.400 0.035 0.000 0.869 641 E CB 0.476 30.212 29.700 0.059 0.000 0.857 641 E HN 0.403 nan 8.360 nan 0.000 0.505 642 V N 0.512 120.448 119.914 0.036 0.000 3.108 642 V HA 0.163 4.282 4.120 -0.002 0.000 0.287 642 V C -1.732 174.360 176.094 -0.003 0.000 1.436 642 V CA -0.920 61.382 62.300 0.003 0.000 1.001 642 V CB 2.415 34.228 31.823 -0.017 0.000 1.141 642 V HN -0.167 nan 8.190 nan 0.000 0.443 643 V N 6.439 126.310 119.914 -0.070 0.000 2.370 643 V HA 0.514 4.633 4.120 -0.002 0.000 0.283 643 V C -0.174 175.814 176.094 -0.177 0.000 1.023 643 V CA -0.498 61.733 62.300 -0.115 0.000 0.857 643 V CB 1.365 33.112 31.823 -0.126 0.000 0.985 643 V HN 0.638 nan 8.190 nan 0.000 0.443 644 L N 5.083 126.166 121.223 -0.233 0.000 2.264 644 L HA 0.782 5.121 4.340 -0.002 0.000 0.287 644 L C 0.354 176.978 176.870 -0.409 0.000 1.039 644 L CA -0.147 54.494 54.840 -0.331 0.000 0.829 644 L CB 1.039 42.839 42.059 -0.431 0.000 1.211 644 L HN 0.744 nan 8.230 nan 0.000 0.427 645 A N 3.291 125.850 122.820 -0.435 0.000 2.355 645 A HA 0.972 5.291 4.320 -0.002 0.000 0.324 645 A C -0.633 176.448 177.584 -0.839 0.000 1.117 645 A CA -0.415 51.247 52.037 -0.625 0.000 0.785 645 A CB 1.816 20.537 19.000 -0.466 0.000 1.254 645 A HN 0.728 nan 8.150 nan 0.000 0.453 646 A N 0.364 122.668 122.820 -0.859 0.000 2.549 646 A HA 0.862 5.181 4.320 -0.002 0.000 0.297 646 A C -0.530 176.751 177.584 -0.505 0.000 1.061 646 A CA 0.070 51.699 52.037 -0.680 0.000 0.690 646 A CB 1.454 20.140 19.000 -0.523 0.000 1.287 646 A HN 2.409 nan 8.150 nan 0.000 0.402 647 A N 0.847 123.509 122.820 -0.264 0.000 2.335 647 A HA 0.927 5.246 4.320 -0.002 0.000 0.304 647 A C 0.247 177.558 177.584 -0.455 0.000 1.118 647 A CA 0.081 51.994 52.037 -0.207 0.000 0.757 647 A CB 0.669 19.669 19.000 0.000 0.000 1.188 647 A HN 2.847 nan 8.150 nan 0.000 0.460 648 G N 2.524 111.156 108.800 -0.281 0.000 2.640 648 G HA2 0.125 4.084 3.960 -0.002 0.000 0.686 648 G HA3 0.125 4.084 3.960 -0.002 0.000 0.686 648 G C 0.031 174.928 174.900 -0.004 0.000 1.229 648 G CA 0.113 45.115 45.100 -0.163 0.000 0.796 648 G HN 1.041 nan 8.290 nan 0.000 0.654 649 D N 0.095 120.570 120.400 0.124 0.000 2.117 649 D HA -0.140 4.499 4.640 -0.002 0.000 0.197 649 D C 2.338 178.734 176.300 0.160 0.000 0.987 649 D CA 1.937 56.065 54.000 0.214 0.000 0.829 649 D CB -0.156 40.822 40.800 0.297 0.000 0.961 649 D HN 0.402 nan 8.370 nan 0.000 0.460 650 V N 1.576 121.536 119.914 0.076 0.000 2.407 650 V HA -0.083 4.036 4.120 -0.002 0.000 0.245 650 V C -0.565 175.375 176.094 -0.256 0.000 1.041 650 V CA 1.251 63.522 62.300 -0.050 0.000 1.040 650 V CB -1.077 30.695 31.823 -0.086 0.000 0.671 650 V HN 0.135 nan 8.190 nan 0.000 0.455 651 P HA -0.141 nan 4.420 nan 0.000 0.216 651 P C 1.817 178.936 177.300 -0.303 0.000 1.153 651 P CA 1.796 64.671 63.100 -0.376 0.000 0.858 651 P CB -0.178 31.328 31.700 -0.322 0.000 0.789 652 T N -0.702 113.706 114.554 -0.242 0.000 2.708 652 T HA -0.231 4.118 4.350 -0.002 0.000 0.266 652 T C 1.880 176.428 174.700 -0.253 0.000 1.037 652 T CA 1.468 63.386 62.100 -0.304 0.000 1.146 652 T CB -0.712 68.027 68.868 -0.214 0.000 0.865 652 T HN 0.278 nan 8.240 nan 0.000 0.435 653 Q N 0.461 120.263 119.800 0.004 0.000 2.030 653 Q HA -0.196 4.143 4.340 -0.002 0.000 0.204 653 Q C 2.182 178.126 176.000 -0.094 0.000 0.986 653 Q CA 1.447 57.357 55.803 0.178 0.000 0.843 653 Q CB -0.023 28.875 28.738 0.265 0.000 0.904 653 Q HN 0.364 nan 8.270 nan 0.000 0.420 654 E N 0.372 120.448 120.200 -0.208 0.000 2.153 654 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 654 E C 2.033 178.404 176.600 -0.383 0.000 0.988 654 E CA 0.633 56.845 56.400 -0.313 0.000 0.811 654 E CB -0.099 29.429 29.700 -0.287 0.000 0.746 654 E HN 0.444 nan 8.360 nan 0.000 0.466 655 I N 0.606 120.954 120.570 -0.369 0.000 2.286 655 I HA -0.165 4.004 4.170 -0.002 0.000 0.245 655 I C 2.143 178.016 176.117 -0.407 0.000 1.104 655 I CA 0.765 61.823 61.300 -0.404 0.000 1.397 655 I CB -0.540 37.201 38.000 -0.432 0.000 1.072 655 I HN 0.121 nan 8.210 nan 0.000 0.417 656 M N 0.488 119.856 119.600 -0.387 0.000 2.117 656 M HA -0.150 4.329 4.480 -0.002 0.000 0.262 656 M C 2.489 178.722 176.300 -0.111 0.000 1.065 656 M CA 1.768 56.898 55.300 -0.284 0.000 1.114 656 M CB -1.420 30.882 32.600 -0.496 0.000 1.361 656 M HN 0.201 nan 8.290 nan 0.000 0.408 657 A N 0.006 122.509 122.820 -0.528 0.000 1.930 657 A HA 0.056 4.375 4.320 -0.002 0.000 0.217 657 A C 2.432 179.686 177.584 -0.549 0.000 1.175 657 A CA 1.863 53.264 52.037 -1.060 0.000 0.627 657 A CB -0.804 17.158 19.000 -1.731 0.000 0.815 657 A HN 0.473 nan 8.150 nan 0.000 0.443 658 A N 0.479 123.021 122.820 -0.463 0.000 1.902 658 A HA -0.113 4.206 4.320 -0.002 0.000 0.217 658 A C 2.539 179.918 177.584 -0.342 0.000 1.181 658 A CA 2.382 54.192 52.037 -0.379 0.000 0.623 658 A CB -1.029 17.741 19.000 -0.383 0.000 0.818 658 A HN 1.016 nan 8.150 nan 0.000 0.443 659 S N 0.159 115.636 115.700 -0.371 0.000 2.368 659 S HA -0.228 4.241 4.470 -0.002 0.000 0.225 659 S C 1.555 176.136 174.600 -0.032 0.000 1.030 659 S CA 1.633 59.550 58.200 -0.472 0.000 0.999 659 S CB -0.613 62.347 63.200 -0.400 0.000 0.844 659 S HN 0.475 nan 8.310 nan 0.000 0.459 660 D N 2.020 122.499 120.400 0.130 0.000 2.106 660 D HA -0.077 4.562 4.640 -0.002 0.000 0.191 660 D C 2.126 178.486 176.300 0.100 0.000 0.997 660 D CA 1.473 55.607 54.000 0.222 0.000 0.834 660 D CB -0.270 40.776 40.800 0.410 0.000 0.956 660 D HN 0.580 nan 8.370 nan 0.000 0.448 661 K N -0.074 120.317 120.400 -0.015 0.000 2.147 661 K HA -0.100 4.219 4.320 -0.002 0.000 0.205 661 K C 1.944 178.535 176.600 -0.015 0.000 1.049 661 K CA 0.371 56.642 56.287 -0.027 0.000 0.936 661 K CB 0.022 32.479 32.500 -0.072 0.000 0.722 661 K HN 0.087 nan 8.250 nan 0.000 0.446 662 L N 1.904 123.101 121.223 -0.042 0.000 2.027 662 L HA -0.130 4.209 4.340 -0.002 0.000 0.206 662 L C 2.394 179.375 176.870 0.185 0.000 1.074 662 L CA 1.699 56.544 54.840 0.008 0.000 0.745 662 L CB -0.911 41.073 42.059 -0.125 0.000 0.898 662 L HN 0.137 nan 8.230 nan 0.000 0.433 663 K N -0.210 120.371 120.400 0.302 0.000 2.063 663 K HA -0.195 4.124 4.320 -0.002 0.000 0.208 663 K C 1.861 178.536 176.600 0.125 0.000 1.048 663 K CA 1.423 57.859 56.287 0.248 0.000 0.928 663 K CB -0.051 32.601 32.500 0.253 0.000 0.713 663 K HN 0.281 nan 8.250 nan 0.000 0.442 664 E N 0.154 120.416 120.200 0.102 0.000 2.401 664 E HA -0.128 4.221 4.350 -0.002 0.000 0.199 664 E C 1.178 177.815 176.600 0.061 0.000 1.023 664 E CA 0.630 57.071 56.400 0.069 0.000 0.859 664 E CB 0.105 29.838 29.700 0.056 0.000 0.780 664 E HN 0.390 nan 8.360 nan 0.000 0.523 665 L N -0.787 120.477 121.223 0.068 0.000 2.667 665 L HA 0.213 4.552 4.340 -0.002 0.000 0.232 665 L C 1.245 178.176 176.870 0.103 0.000 1.138 665 L CA 0.134 55.023 54.840 0.081 0.000 0.921 665 L CB 0.418 42.510 42.059 0.055 0.000 1.180 665 L HN 0.081 nan 8.230 nan 0.000 0.487 666 G N 0.668 109.519 108.800 0.085 0.000 2.203 666 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.263 666 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.263 666 G C 0.320 175.266 174.900 0.077 0.000 1.012 666 G CA 0.259 45.400 45.100 0.068 0.000 0.749 666 G HN 0.149 nan 8.290 nan 0.000 0.512 667 V N 0.556 120.535 119.914 0.109 0.000 2.740 667 V HA 0.299 4.418 4.120 -0.002 0.000 0.303 667 V C 0.649 176.775 176.094 0.053 0.000 1.054 667 V CA -0.084 62.291 62.300 0.125 0.000 1.106 667 V CB 1.410 33.328 31.823 0.157 0.000 0.957 667 V HN 0.215 nan 8.190 nan 0.000 0.486 668 K N 5.276 125.679 120.400 0.006 0.000 2.263 668 K HA 0.521 4.840 4.320 -0.002 0.000 0.272 668 K C -0.716 175.836 176.600 -0.080 0.000 1.033 668 K CA -0.043 56.158 56.287 -0.143 0.000 0.884 668 K CB 1.125 33.575 32.500 -0.083 0.000 1.107 668 K HN 0.565 nan 8.250 nan 0.000 0.460 669 F N -0.475 119.443 119.950 -0.053 0.000 2.650 669 F HA 0.627 5.153 4.527 -0.002 0.000 0.320 669 F C -0.471 175.268 175.800 -0.102 0.000 1.091 669 F CA -1.422 56.528 58.000 -0.082 0.000 0.962 669 F CB 1.316 40.256 39.000 -0.099 0.000 1.363 669 F HN 0.136 nan 8.300 nan 0.000 0.482 670 K N 1.312 121.825 120.400 0.188 0.000 2.259 670 K HA 0.763 5.082 4.320 -0.002 0.000 0.252 670 K C -1.952 174.655 176.600 0.012 0.000 0.936 670 K CA -0.821 55.493 56.287 0.045 0.000 0.810 670 K CB 2.196 34.653 32.500 -0.071 0.000 1.143 670 K HN 0.698 nan 8.250 nan 0.000 0.427 671 V N 4.068 123.927 119.914 -0.092 0.000 2.417 671 V HA 0.416 4.535 4.120 -0.002 0.000 0.291 671 V C -0.596 175.217 176.094 -0.468 0.000 1.024 671 V CA -0.820 61.310 62.300 -0.282 0.000 0.861 671 V CB 1.605 33.280 31.823 -0.247 0.000 0.985 671 V HN 0.522 nan 8.190 nan 0.000 0.436 672 V N 4.182 123.716 119.914 -0.633 0.000 2.735 672 V HA 0.554 4.673 4.120 -0.002 0.000 0.310 672 V C -0.524 174.986 176.094 -0.973 0.000 1.061 672 V CA -0.749 61.085 62.300 -0.777 0.000 0.913 672 V CB 2.336 33.690 31.823 -0.783 0.000 1.005 672 V HN 0.956 nan 8.190 nan 0.000 0.428 673 N N 1.931 120.007 118.700 -1.039 0.000 2.238 673 N HA 0.670 5.409 4.740 -0.002 0.000 0.302 673 N C -1.471 173.810 175.510 -0.381 0.000 1.072 673 N CA -0.375 52.138 53.050 -0.896 0.000 0.792 673 N CB 2.163 39.843 38.487 -1.345 0.000 1.425 673 N HN 0.371 nan 8.380 nan 0.000 0.478 674 V N 2.599 122.405 119.914 -0.179 0.000 2.384 674 V HA 0.619 4.737 4.120 -0.002 0.000 0.287 674 V C 0.712 176.934 176.094 0.213 0.000 1.020 674 V CA -0.395 61.962 62.300 0.095 0.000 0.850 674 V CB 0.831 32.831 31.823 0.295 0.000 0.987 674 V HN 0.945 nan 8.190 nan 0.000 0.436 675 A N 3.195 126.167 122.820 0.253 0.000 2.085 675 A HA 0.215 4.534 4.320 -0.002 0.000 0.208 675 A C 0.768 178.583 177.584 0.386 0.000 1.191 675 A CA 0.449 52.688 52.037 0.336 0.000 0.799 675 A CB 0.142 19.311 19.000 0.280 0.000 0.877 675 A HN 0.711 nan 8.150 nan 0.000 0.473 676 D N -0.085 120.506 120.400 0.319 0.000 2.462 676 D HA 0.296 4.935 4.640 -0.002 0.000 0.245 676 D C 0.662 177.065 176.300 0.172 0.000 1.122 676 D CA -0.575 53.551 54.000 0.211 0.000 0.864 676 D CB 1.198 42.141 40.800 0.239 0.000 1.098 676 D HN -0.032 nan 8.370 nan 0.000 0.541 677 L N 4.530 125.841 121.223 0.147 0.000 2.043 677 L HA -0.099 4.240 4.340 -0.002 0.000 0.212 677 L C 1.696 178.635 176.870 0.114 0.000 1.075 677 L CA 1.800 56.773 54.840 0.222 0.000 0.752 677 L CB -0.353 41.852 42.059 0.243 0.000 0.891 677 L HN 0.608 nan 8.230 nan 0.000 0.432 678 L N -0.633 120.604 121.223 0.023 0.000 2.551 678 L HA -0.081 4.258 4.340 -0.002 0.000 0.228 678 L C 2.472 179.382 176.870 0.068 0.000 1.153 678 L CA 0.807 55.658 54.840 0.018 0.000 0.851 678 L CB -0.890 41.157 42.059 -0.021 0.000 0.959 678 L HN 0.461 nan 8.230 nan 0.000 0.451 679 S N 0.357 116.124 115.700 0.112 0.000 2.419 679 S HA -0.130 4.339 4.470 -0.002 0.000 0.233 679 S C 1.763 176.486 174.600 0.205 0.000 1.016 679 S CA 0.870 59.163 58.200 0.155 0.000 0.974 679 S CB -0.456 62.853 63.200 0.183 0.000 0.786 679 S HN 0.505 nan 8.310 nan 0.000 0.492 680 L N 0.686 122.030 121.223 0.203 0.000 2.492 680 L HA 0.186 4.525 4.340 -0.002 0.000 0.223 680 L C 1.647 178.565 176.870 0.080 0.000 1.132 680 L CA 0.086 55.077 54.840 0.252 0.000 0.850 680 L CB -0.572 41.599 42.059 0.187 0.000 0.966 680 L HN 0.433 nan 8.230 nan 0.000 0.454 681 Q N 1.128 120.947 119.800 0.033 0.000 2.474 681 Q HA -0.015 4.324 4.340 -0.002 0.000 0.256 681 Q C 0.473 176.438 176.000 -0.059 0.000 1.048 681 Q CA -0.012 55.774 55.803 -0.028 0.000 0.922 681 Q CB 0.832 29.558 28.738 -0.019 0.000 1.288 681 Q HN 0.142 nan 8.270 nan 0.000 0.484 682 S N 1.606 117.252 115.700 -0.090 0.000 2.626 682 S HA 0.004 4.473 4.470 -0.002 0.000 0.303 682 S C 0.846 175.406 174.600 -0.066 0.000 1.256 682 S CA 0.344 58.466 58.200 -0.130 0.000 1.069 682 S CB 0.474 63.606 63.200 -0.114 0.000 0.807 682 S HN 0.682 nan 8.310 nan 0.000 0.500 683 A N 5.764 128.535 122.820 -0.081 0.000 2.066 683 A HA 0.014 4.333 4.320 -0.002 0.000 0.218 683 A C 2.146 179.721 177.584 -0.016 0.000 1.157 683 A CA 0.901 52.922 52.037 -0.027 0.000 0.670 683 A CB -0.245 18.742 19.000 -0.022 0.000 0.804 683 A HN 0.899 nan 8.150 nan 0.000 0.453 684 K N -0.310 120.069 120.400 -0.034 0.000 2.228 684 K HA -0.064 4.255 4.320 -0.002 0.000 0.202 684 K C 1.555 178.159 176.600 0.007 0.000 1.051 684 K CA 1.162 57.440 56.287 -0.015 0.000 0.960 684 K CB -0.003 32.483 32.500 -0.023 0.000 0.743 684 K HN 0.630 nan 8.250 nan 0.000 0.458 685 E N 0.465 120.674 120.200 0.015 0.000 2.086 685 E HA -0.055 4.294 4.350 -0.002 0.000 0.190 685 E C 0.562 177.179 176.600 0.029 0.000 0.975 685 E CA 0.395 56.817 56.400 0.037 0.000 0.813 685 E CB 0.172 29.903 29.700 0.051 0.000 0.768 685 E HN 0.037 nan 8.360 nan 0.000 0.457 686 N N 1.353 120.079 118.700 0.042 0.000 2.569 686 N HA -0.013 4.725 4.740 -0.002 0.000 0.254 686 N C -0.729 174.854 175.510 0.121 0.000 1.004 686 N CA -0.226 52.886 53.050 0.102 0.000 0.904 686 N CB 1.205 39.747 38.487 0.091 0.000 1.165 686 N HN -0.074 nan 8.380 nan 0.000 0.513 687 D N 1.922 122.418 120.400 0.160 0.000 2.378 687 D HA -0.070 4.569 4.640 -0.002 0.000 0.227 687 D C 0.340 176.694 176.300 0.090 0.000 1.012 687 D CA 0.925 54.996 54.000 0.117 0.000 0.905 687 D CB 0.213 41.078 40.800 0.109 0.000 0.895 687 D HN 0.631 nan 8.370 nan 0.000 0.532 688 E N -0.369 119.876 120.200 0.075 0.000 2.460 688 E HA 0.282 4.631 4.350 -0.002 0.000 0.200 688 E C 0.741 177.364 176.600 0.039 0.000 1.011 688 E CA -0.110 56.284 56.400 -0.009 0.000 0.912 688 E CB 0.582 30.182 29.700 -0.168 0.000 0.953 688 E HN 0.334 nan 8.360 nan 0.000 0.494 689 A N 1.086 123.947 122.820 0.069 0.000 2.327 689 A HA 0.233 4.552 4.320 -0.002 0.000 0.255 689 A C 0.142 177.789 177.584 0.105 0.000 1.099 689 A CA -0.394 51.696 52.037 0.089 0.000 0.801 689 A CB 0.125 19.174 19.000 0.082 0.000 1.062 689 A HN 0.176 nan 8.150 nan 0.000 0.496 690 L N 1.410 122.727 121.223 0.156 0.000 2.578 690 L HA 0.074 4.413 4.340 -0.002 0.000 0.279 690 L C 1.549 178.509 176.870 0.150 0.000 1.227 690 L CA 0.137 55.088 54.840 0.184 0.000 0.900 690 L CB -0.397 41.846 42.059 0.308 0.000 1.144 690 L HN 0.956 nan 8.230 nan 0.000 0.496 691 T N -1.359 113.265 114.554 0.117 0.000 2.856 691 T HA -0.074 4.275 4.350 -0.002 0.000 0.329 691 T C 0.952 175.725 174.700 0.122 0.000 1.094 691 T CA -0.477 61.677 62.100 0.090 0.000 1.112 691 T CB 0.625 69.538 68.868 0.074 0.000 1.009 691 T HN 0.585 nan 8.240 nan 0.000 0.550 692 D N 0.453 120.892 120.400 0.065 0.000 2.123 692 D HA -0.108 4.531 4.640 -0.002 0.000 0.196 692 D C 1.913 178.299 176.300 0.144 0.000 0.992 692 D CA 1.692 55.731 54.000 0.065 0.000 0.833 692 D CB -0.289 40.506 40.800 -0.008 0.000 0.954 692 D HN 0.924 nan 8.370 nan 0.000 0.455 693 E N 0.899 121.163 120.200 0.107 0.000 2.058 693 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 693 E C 1.793 178.475 176.600 0.138 0.000 0.997 693 E CA 1.354 57.819 56.400 0.107 0.000 0.801 693 E CB 0.081 29.825 29.700 0.072 0.000 0.746 693 E HN 0.291 nan 8.360 nan 0.000 0.450 694 E N -0.514 119.773 120.200 0.146 0.000 2.106 694 E HA -0.161 4.188 4.350 -0.002 0.000 0.192 694 E C 1.825 178.551 176.600 0.210 0.000 0.984 694 E CA 0.948 57.434 56.400 0.143 0.000 0.806 694 E CB -0.225 29.551 29.700 0.127 0.000 0.750 694 E HN 0.329 nan 8.360 nan 0.000 0.458 695 F N 1.369 121.402 119.950 0.138 0.000 2.102 695 F HA -0.194 4.332 4.527 -0.002 0.000 0.298 695 F C 2.271 178.238 175.800 0.278 0.000 1.105 695 F CA 1.402 59.551 58.000 0.249 0.000 1.239 695 F CB -0.099 39.017 39.000 0.194 0.000 0.991 695 F HN -0.028 nan 8.300 nan 0.000 0.474 696 A N -0.164 122.934 122.820 0.463 0.000 1.933 696 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 696 A C 1.956 179.640 177.584 0.167 0.000 1.175 696 A CA 1.932 54.162 52.037 0.321 0.000 0.628 696 A CB -0.970 18.166 19.000 0.226 0.000 0.814 696 A HN 0.434 nan 8.150 nan 0.000 0.444 697 D N 0.026 120.493 120.400 0.111 0.000 2.104 697 D HA -0.141 4.498 4.640 -0.002 0.000 0.194 697 D C 1.853 178.131 176.300 -0.036 0.000 0.994 697 D CA 1.356 55.377 54.000 0.035 0.000 0.830 697 D CB -0.257 40.559 40.800 0.026 0.000 0.959 697 D HN 0.534 nan 8.370 nan 0.000 0.452 698 I N -0.565 119.953 120.570 -0.087 0.000 2.162 698 I HA -0.220 3.949 4.170 -0.002 0.000 0.238 698 I C 1.640 177.503 176.117 -0.423 0.000 1.076 698 I CA 0.950 62.052 61.300 -0.330 0.000 1.353 698 I CB -0.110 37.581 38.000 -0.516 0.000 1.063 698 I HN -0.113 nan 8.210 nan 0.000 0.408 699 F N 0.716 120.563 119.950 -0.172 0.000 2.727 699 F HA 0.142 4.668 4.527 -0.002 0.000 0.302 699 F C 0.911 176.671 175.800 -0.067 0.000 1.097 699 F CA 0.372 58.279 58.000 -0.155 0.000 1.330 699 F CB -0.359 38.554 39.000 -0.145 0.000 1.084 699 F HN 0.150 nan 8.300 nan 0.000 0.578 700 T N -2.683 111.940 114.554 0.114 0.000 0.541 700 T HA -0.205 4.144 4.350 -0.002 0.000 0.774 700 T C 0.652 175.441 174.700 0.149 0.000 0.992 700 T CA -0.383 61.773 62.100 0.092 0.000 4.077 700 T CB -0.821 68.070 68.868 0.038 0.000 2.303 700 T HN 0.359 nan 8.240 nan 0.000 0.398 701 A N 1.866 124.749 122.820 0.105 0.000 2.014 701 A HA 0.261 4.580 4.320 -0.002 0.000 0.218 701 A C 1.677 179.310 177.584 0.082 0.000 1.163 701 A CA 1.895 53.994 52.037 0.103 0.000 0.652 701 A CB -0.498 18.544 19.000 0.070 0.000 0.808 701 A HN 1.477 nan 8.150 nan 0.000 0.449 702 D N -3.378 117.059 120.400 0.060 0.000 2.411 702 D HA 0.065 4.704 4.640 -0.002 0.000 0.374 702 D C -0.065 176.248 176.300 0.022 0.000 1.187 702 D CA -0.219 53.802 54.000 0.035 0.000 0.928 702 D CB -0.353 40.461 40.800 0.023 0.000 1.402 702 D HN -0.059 nan 8.370 nan 0.000 0.478 703 K N 1.652 122.063 120.400 0.018 0.000 2.154 703 K HA 0.463 4.782 4.320 -0.002 0.000 0.264 703 K C -2.492 174.094 176.600 -0.023 0.000 1.008 703 K CA -2.134 54.153 56.287 -0.001 0.000 0.937 703 K CB 0.142 32.639 32.500 -0.005 0.000 1.002 703 K HN 0.050 nan 8.250 nan 0.000 0.469 704 P HA 0.091 nan 4.420 nan 0.000 0.271 704 P C -0.735 176.499 177.300 -0.111 0.000 1.216 704 P CA -0.271 62.799 63.100 -0.049 0.000 0.776 704 P CB 0.558 32.244 31.700 -0.023 0.000 0.881 705 V N 4.630 124.422 119.914 -0.203 0.000 2.407 705 V HA 0.273 4.392 4.120 -0.002 0.000 0.291 705 V C -0.171 175.797 176.094 -0.210 0.000 1.018 705 V CA -0.636 61.458 62.300 -0.342 0.000 0.842 705 V CB 1.414 32.667 31.823 -0.950 0.000 0.996 705 V HN 0.351 nan 8.190 nan 0.000 0.426 706 L N 6.097 127.246 121.223 -0.123 0.000 2.262 706 L HA 0.602 4.941 4.340 -0.002 0.000 0.288 706 L C -1.067 175.808 176.870 0.007 0.000 1.035 706 L CA -0.001 54.824 54.840 -0.024 0.000 0.820 706 L CB 0.739 42.752 42.059 -0.077 0.000 1.204 706 L HN 0.559 nan 8.230 nan 0.000 0.424 707 F N 5.254 125.211 119.950 0.010 0.000 2.403 707 F HA 0.738 5.264 4.527 -0.002 0.000 0.355 707 F C 0.086 175.931 175.800 0.075 0.000 1.119 707 F CA -0.664 57.366 58.000 0.050 0.000 1.007 707 F CB 1.148 40.253 39.000 0.175 0.000 1.194 707 F HN 0.671 nan 8.300 nan 0.000 0.443 708 A N 5.932 128.784 122.820 0.054 0.000 2.289 708 A HA 0.461 4.780 4.320 -0.002 0.000 0.298 708 A C -1.948 175.757 177.584 0.202 0.000 1.208 708 A CA -0.313 51.778 52.037 0.090 0.000 0.845 708 A CB 0.238 19.146 19.000 -0.155 0.000 1.125 708 A HN 0.740 nan 8.150 nan 0.000 0.517 709 Y N 1.407 121.804 120.300 0.162 0.000 2.446 709 Y HA 0.408 4.957 4.550 -0.002 0.000 0.345 709 Y C 1.049 177.005 175.900 0.093 0.000 0.984 709 Y CA -0.876 57.333 58.100 0.181 0.000 1.058 709 Y CB 1.389 40.001 38.460 0.254 0.000 1.220 709 Y HN 0.907 nan 8.280 nan 0.000 0.455 710 H N 1.641 120.313 119.070 -0.664 0.000 2.421 710 H HA 0.013 4.568 4.556 -0.002 0.000 0.298 710 H C 0.840 176.034 175.328 -0.223 0.000 1.087 710 H CA 2.025 57.850 56.048 -0.372 0.000 1.330 710 H CB 0.469 29.874 29.762 -0.594 0.000 1.388 710 H HN 0.509 nan 8.280 nan 0.000 0.526 711 S N -2.105 113.076 115.700 -0.866 0.000 3.362 711 S HA 0.282 4.751 4.470 -0.002 0.000 0.235 711 S C -1.052 173.503 174.600 -0.076 0.000 1.026 711 S CA -0.792 57.138 58.200 -0.450 0.000 1.257 711 S CB -0.130 63.019 63.200 -0.085 0.000 1.187 711 S HN 0.219 nan 8.310 nan 0.000 0.660 712 Y N 1.314 121.812 120.300 0.329 0.000 2.335 712 Y HA 0.462 5.011 4.550 -0.002 0.000 0.331 712 Y C 1.336 177.514 175.900 0.463 0.000 1.094 712 Y CA 0.046 58.356 58.100 0.351 0.000 1.253 712 Y CB 0.877 39.484 38.460 0.244 0.000 1.203 712 Y HN 0.712 nan 8.280 nan 0.000 0.508 713 A N 2.364 125.466 122.820 0.470 0.000 1.972 713 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 713 A C 2.129 179.792 177.584 0.132 0.000 1.169 713 A CA 1.747 53.946 52.037 0.271 0.000 0.635 713 A CB -0.825 18.273 19.000 0.163 0.000 0.810 713 A HN 0.980 nan 8.150 nan 0.000 0.446 714 H N 0.596 119.733 119.070 0.112 0.000 2.394 714 H HA -0.178 4.377 4.556 -0.002 0.000 0.297 714 H C 1.351 176.672 175.328 -0.011 0.000 1.113 714 H CA 2.053 58.120 56.048 0.032 0.000 1.277 714 H CB -0.184 29.604 29.762 0.044 0.000 1.370 714 H HN 0.439 nan 8.280 nan 0.000 0.506 715 D N -0.012 120.528 120.400 0.234 0.000 2.103 715 D HA -0.141 4.498 4.640 -0.002 0.000 0.190 715 D C 2.579 178.785 176.300 -0.157 0.000 0.997 715 D CA 1.400 55.468 54.000 0.112 0.000 0.833 715 D CB -0.484 40.450 40.800 0.224 0.000 0.961 715 D HN 0.237 nan 8.370 nan 0.000 0.447 716 V N 0.810 120.472 119.914 -0.421 0.000 2.307 716 V HA -0.214 3.905 4.120 -0.002 0.000 0.245 716 V C 2.502 178.328 176.094 -0.445 0.000 1.045 716 V CA 1.578 63.520 62.300 -0.597 0.000 1.024 716 V CB -0.370 30.870 31.823 -0.972 0.000 0.651 716 V HN 0.118 nan 8.190 nan 0.000 0.449 717 R N 0.231 120.518 120.500 -0.356 0.000 2.103 717 R HA -0.160 4.179 4.340 -0.002 0.000 0.242 717 R C 2.400 178.529 176.300 -0.285 0.000 1.142 717 R CA 1.690 57.606 56.100 -0.305 0.000 0.960 717 R CB -0.873 29.275 30.300 -0.253 0.000 0.858 717 R HN 0.595 nan 8.270 nan 0.000 0.439 718 G N 0.423 109.054 108.800 -0.283 0.000 2.448 718 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.218 718 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.218 718 G C 1.238 176.059 174.900 -0.132 0.000 1.135 718 G CA 0.077 45.036 45.100 -0.235 0.000 0.784 718 G HN 0.109 nan 8.290 nan 0.000 0.543 719 L N 1.195 122.326 121.223 -0.153 0.000 2.240 719 L HA 0.291 4.630 4.340 -0.002 0.000 0.211 719 L C 2.280 179.068 176.870 -0.136 0.000 1.106 719 L CA 0.885 55.659 54.840 -0.111 0.000 0.793 719 L CB -0.100 41.870 42.059 -0.149 0.000 0.927 719 L HN 0.456 nan 8.230 nan 0.000 0.446 720 I N -3.829 116.578 120.570 -0.272 0.000 3.891 720 I HA 0.044 4.213 4.170 -0.002 0.000 0.331 720 I C 1.875 177.679 176.117 -0.522 0.000 1.406 720 I CA -0.209 60.822 61.300 -0.449 0.000 1.139 720 I CB -0.769 36.847 38.000 -0.640 0.000 1.056 720 I HN 0.252 nan 8.210 nan 0.000 0.399 721 Y N 1.936 121.929 120.300 -0.510 0.000 2.333 721 Y HA -0.174 4.375 4.550 -0.002 0.000 0.290 721 Y C 1.581 176.991 175.900 -0.816 0.000 1.144 721 Y CA 1.388 59.097 58.100 -0.652 0.000 1.228 721 Y CB -0.693 37.525 38.460 -0.404 0.000 0.985 721 Y HN 0.428 nan 8.280 nan 0.000 0.542 722 D N -0.800 118.781 120.400 -1.365 0.000 2.440 722 D HA 0.094 4.733 4.640 -0.002 0.000 0.216 722 D C 0.013 175.980 176.300 -0.556 0.000 1.150 722 D CA -0.267 53.146 54.000 -0.980 0.000 0.832 722 D CB -0.113 40.047 40.800 -1.067 0.000 0.992 722 D HN 0.047 nan 8.370 nan 0.000 0.502 723 R N 1.266 121.440 120.500 -0.544 0.000 2.459 723 R HA 0.405 4.744 4.340 -0.002 0.000 0.281 723 R C -2.441 173.764 176.300 -0.157 0.000 1.050 723 R CA -2.480 53.287 56.100 -0.555 0.000 1.055 723 R CB -0.224 29.363 30.300 -1.188 0.000 1.045 723 R HN 0.052 nan 8.270 nan 0.000 0.495 724 P HA -0.056 nan 4.420 nan 0.000 0.261 724 P C 0.222 177.621 177.300 0.165 0.000 1.183 724 P CA 0.613 63.739 63.100 0.043 0.000 0.761 724 P CB 0.290 32.061 31.700 0.119 0.000 0.785 725 N N 1.594 120.339 118.700 0.076 0.000 2.909 725 N HA -0.232 4.507 4.740 -0.002 0.000 0.242 725 N C 1.226 176.857 175.510 0.202 0.000 0.975 725 N CA 1.492 54.617 53.050 0.125 0.000 0.921 725 N CB -1.920 36.710 38.487 0.238 0.000 1.112 725 N HN 0.733 nan 8.380 nan 0.000 0.581 726 H N -1.366 117.779 119.070 0.125 0.000 2.387 726 H HA -0.080 4.475 4.556 -0.002 0.000 0.299 726 H C 0.723 176.127 175.328 0.126 0.000 1.099 726 H CA 1.519 57.578 56.048 0.018 0.000 1.315 726 H CB -0.296 29.314 29.762 -0.253 0.000 1.380 726 H HN 0.254 nan 8.280 nan 0.000 0.513 727 D N 0.840 121.025 120.400 -0.358 0.000 2.351 727 D HA -0.084 4.555 4.640 -0.002 0.000 0.216 727 D C 1.198 177.516 176.300 0.029 0.000 0.968 727 D CA 0.402 54.338 54.000 -0.107 0.000 0.899 727 D CB -0.218 40.463 40.800 -0.198 0.000 0.907 727 D HN 0.399 nan 8.370 nan 0.000 0.514 728 N N -0.497 118.260 118.700 0.095 0.000 2.373 728 N HA 0.007 4.746 4.740 -0.002 0.000 0.181 728 N C -0.105 175.469 175.510 0.108 0.000 1.082 728 N CA -0.101 53.000 53.050 0.086 0.000 0.885 728 N CB 0.117 38.628 38.487 0.039 0.000 0.977 728 N HN 0.116 nan 8.380 nan 0.000 0.462 729 F N 1.332 121.292 119.950 0.017 0.000 2.538 729 F HA 0.078 4.604 4.527 -0.002 0.000 0.371 729 F C 1.032 176.846 175.800 0.023 0.000 1.087 729 F CA -0.344 57.673 58.000 0.029 0.000 1.250 729 F CB 0.368 39.358 39.000 -0.016 0.000 1.110 729 F HN -0.107 nan 8.300 nan 0.000 0.570 730 N N 3.905 122.705 118.700 0.166 0.000 2.564 730 N HA 0.277 5.016 4.740 -0.002 0.000 0.248 730 N C -1.599 174.021 175.510 0.182 0.000 0.986 730 N CA -0.349 52.777 53.050 0.127 0.000 0.921 730 N CB 0.967 39.519 38.487 0.108 0.000 1.136 730 N HN 0.242 nan 8.380 nan 0.000 0.509 731 V N 3.959 123.937 119.914 0.107 0.000 2.383 731 V HA 0.308 4.427 4.120 -0.002 0.000 0.275 731 V C -0.200 175.926 176.094 0.054 0.000 1.036 731 V CA -0.558 61.832 62.300 0.150 0.000 0.889 731 V CB 0.441 32.265 31.823 0.002 0.000 0.985 731 V HN 0.631 nan 8.190 nan 0.000 0.459 732 H N 2.105 121.274 119.070 0.165 0.000 2.499 732 H HA 0.841 5.396 4.556 -0.002 0.000 0.340 732 H C 0.487 175.938 175.328 0.206 0.000 1.148 732 H CA 0.584 56.711 56.048 0.132 0.000 1.215 732 H CB 2.013 31.812 29.762 0.063 0.000 1.529 732 H HN 0.921 nan 8.280 nan 0.000 0.510 733 G N 0.300 109.283 108.800 0.307 0.000 2.706 733 G HA2 0.170 4.129 3.960 -0.002 0.000 0.307 733 G HA3 0.170 4.129 3.960 -0.002 0.000 0.307 733 G C -1.690 173.423 174.900 0.356 0.000 1.307 733 G CA -0.839 44.474 45.100 0.356 0.000 0.790 733 G HN 0.483 nan 8.290 nan 0.000 0.503 734 Y N 1.524 121.913 120.300 0.148 0.000 2.610 734 Y HA 0.324 4.873 4.550 -0.002 0.000 0.332 734 Y C 1.126 176.991 175.900 -0.059 0.000 1.201 734 Y CA 0.805 58.837 58.100 -0.114 0.000 1.465 734 Y CB 0.783 38.821 38.460 -0.704 0.000 1.283 734 Y HN 0.542 nan 8.280 nan 0.000 0.563 735 E N 3.378 123.162 120.200 -0.693 0.000 3.729 735 E HA 0.166 4.515 4.350 -0.002 0.000 0.195 735 E C -0.664 175.656 176.600 -0.466 0.000 1.005 735 E CA -0.304 55.881 56.400 -0.358 0.000 1.356 735 E CB 0.202 29.841 29.700 -0.102 0.000 1.138 735 E HN 0.611 nan 8.360 nan 0.000 0.450 736 E N 0.849 120.448 120.200 -1.002 0.000 2.340 736 E HA -0.151 4.197 4.350 -0.002 0.000 0.240 736 E C -0.721 175.918 176.600 0.065 0.000 1.154 736 E CA 0.972 57.228 56.400 -0.239 0.000 0.717 736 E CB -1.115 28.661 29.700 0.126 0.000 1.250 736 E HN 0.595 nan 8.360 nan 0.000 0.386 737 E N -0.501 119.633 120.200 -0.110 0.000 2.317 737 E HA 0.783 5.132 4.350 -0.002 0.000 0.270 737 E C 0.527 177.232 176.600 0.175 0.000 0.885 737 E CA -0.109 56.298 56.400 0.011 0.000 0.760 737 E CB 2.284 31.929 29.700 -0.091 0.000 1.227 737 E HN 0.278 nan 8.360 nan 0.000 0.434 738 G N 0.378 109.203 108.800 0.042 0.000 2.351 738 G HA2 0.310 4.268 3.960 -0.002 0.000 0.353 738 G HA3 0.310 4.268 3.960 -0.002 0.000 0.353 738 G C -0.705 174.230 174.900 0.059 0.000 1.358 738 G CA -0.018 45.153 45.100 0.118 0.000 0.995 738 G HN 0.795 nan 8.290 nan 0.000 0.611 739 S N -2.363 113.394 115.700 0.095 0.000 3.319 739 S HA 0.745 5.214 4.470 -0.002 0.000 0.310 739 S C -0.235 174.416 174.600 0.086 0.000 1.223 739 S CA 0.250 58.510 58.200 0.099 0.000 1.189 739 S CB 0.518 63.729 63.200 0.018 0.000 1.514 739 S HN 2.129 nan 8.310 nan 0.000 0.554 740 T N 1.386 115.978 114.554 0.064 0.000 2.729 740 T HA 0.704 5.053 4.350 -0.002 0.000 0.296 740 T C 0.119 174.850 174.700 0.051 0.000 0.928 740 T CA 0.181 62.307 62.100 0.042 0.000 1.045 740 T CB 0.051 68.940 68.868 0.034 0.000 0.902 740 T HN 1.051 nan 8.240 nan 0.000 0.500 741 T N -0.418 114.167 114.554 0.052 0.000 2.646 741 T HA 0.575 4.924 4.350 -0.002 0.000 0.297 741 T C 0.023 174.767 174.700 0.073 0.000 1.363 741 T CA -0.646 61.499 62.100 0.074 0.000 1.056 741 T CB 0.499 69.430 68.868 0.106 0.000 1.779 741 T HN 0.739 nan 8.240 nan 0.000 0.459 742 T N -0.732 113.882 114.554 0.099 0.000 2.874 742 T HA 0.512 4.861 4.350 -0.002 0.000 0.281 742 T C -2.038 172.725 174.700 0.106 0.000 0.994 742 T CA -1.619 60.550 62.100 0.115 0.000 1.015 742 T CB 0.664 69.625 68.868 0.155 0.000 1.028 742 T HN 0.248 nan 8.240 nan 0.000 0.523 743 P HA -0.100 nan 4.420 nan 0.000 0.216 743 P C 1.174 178.524 177.300 0.084 0.000 1.153 743 P CA 1.029 64.236 63.100 0.178 0.000 0.858 743 P CB -0.194 31.679 31.700 0.289 0.000 0.789 744 Y N 0.579 120.733 120.300 -0.244 0.000 2.200 744 Y HA -0.183 4.366 4.550 -0.002 0.000 0.290 744 Y C 2.075 177.871 175.900 -0.175 0.000 1.137 744 Y CA 1.622 59.355 58.100 -0.612 0.000 1.163 744 Y CB -0.781 37.005 38.460 -1.124 0.000 0.988 744 Y HN -0.144 nan 8.280 nan 0.000 0.518 745 D N -0.170 120.050 120.400 -0.301 0.000 2.178 745 D HA -0.181 4.458 4.640 -0.002 0.000 0.201 745 D C 1.991 178.180 176.300 -0.185 0.000 0.980 745 D CA 1.275 55.102 54.000 -0.289 0.000 0.842 745 D CB -0.063 40.772 40.800 0.057 0.000 0.948 745 D HN 0.296 nan 8.370 nan 0.000 0.472 746 M N 0.158 119.741 119.600 -0.029 0.000 2.086 746 M HA -0.119 4.360 4.480 -0.002 0.000 0.261 746 M C 2.438 178.857 176.300 0.198 0.000 1.067 746 M CA 1.017 56.392 55.300 0.127 0.000 1.116 746 M CB -1.040 31.697 32.600 0.227 0.000 1.348 746 M HN 0.128 nan 8.290 nan 0.000 0.407 747 V N -1.792 118.172 119.914 0.084 0.000 2.453 747 V HA -0.177 3.942 4.120 -0.002 0.000 0.247 747 V C 2.434 178.468 176.094 -0.101 0.000 1.048 747 V CA 1.793 64.095 62.300 0.004 0.000 1.049 747 V CB -1.152 30.611 31.823 -0.099 0.000 0.672 747 V HN 0.411 nan 8.190 nan 0.000 0.457 748 R N 0.615 120.926 120.500 -0.315 0.000 2.080 748 R HA -0.114 4.225 4.340 -0.002 0.000 0.236 748 R C 2.183 178.364 176.300 -0.199 0.000 1.137 748 R CA 2.280 58.164 56.100 -0.361 0.000 0.943 748 R CB -0.503 29.335 30.300 -0.769 0.000 0.846 748 R HN 0.459 nan 8.270 nan 0.000 0.431 749 V N 1.780 121.583 119.914 -0.185 0.000 2.913 749 V HA -0.137 3.981 4.120 -0.002 0.000 0.260 749 V C 1.192 177.257 176.094 -0.049 0.000 1.098 749 V CA 1.437 63.655 62.300 -0.136 0.000 1.121 749 V CB -0.457 31.276 31.823 -0.150 0.000 0.714 749 V HN 0.414 nan 8.190 nan 0.000 0.487 750 N N 0.283 119.006 118.700 0.039 0.000 2.214 750 N HA 0.158 4.897 4.740 -0.002 0.000 0.214 750 N C 0.155 175.732 175.510 0.111 0.000 1.132 750 N CA -0.099 53.014 53.050 0.105 0.000 0.856 750 N CB 0.391 39.081 38.487 0.338 0.000 1.020 750 N HN 0.424 nan 8.380 nan 0.000 0.509 751 R N 0.281 120.808 120.500 0.045 0.000 3.422 751 R HA -0.145 4.194 4.340 -0.002 0.000 0.267 751 R C 0.336 176.627 176.300 -0.015 0.000 1.074 751 R CA 0.429 56.557 56.100 0.047 0.000 0.718 751 R CB -2.013 28.374 30.300 0.145 0.000 1.157 751 R HN 0.310 nan 8.270 nan 0.000 0.440 752 I N 0.425 120.945 120.570 -0.083 0.000 4.390 752 I HA 0.004 4.173 4.170 -0.002 0.000 0.334 752 I C -0.039 175.941 176.117 -0.228 0.000 1.379 752 I CA -0.359 60.825 61.300 -0.194 0.000 1.197 752 I CB 0.383 38.251 38.000 -0.220 0.000 1.396 752 I HN 0.219 nan 8.210 nan 0.000 0.511 753 D N 0.641 120.956 120.400 -0.142 0.000 2.414 753 D HA -0.050 4.589 4.640 -0.002 0.000 0.242 753 D C 1.670 177.874 176.300 -0.160 0.000 1.129 753 D CA -0.486 53.470 54.000 -0.073 0.000 0.885 753 D CB 0.717 41.565 40.800 0.080 0.000 1.198 753 D HN 0.215 nan 8.370 nan 0.000 0.437 754 R N 1.607 121.936 120.500 -0.286 0.000 2.198 754 R HA -0.346 3.993 4.340 -0.002 0.000 0.258 754 R C 0.862 176.942 176.300 -0.367 0.000 1.173 754 R CA 1.628 57.455 56.100 -0.454 0.000 0.991 754 R CB -1.097 28.788 30.300 -0.691 0.000 0.879 754 R HN 0.613 nan 8.270 nan 0.000 0.460 755 Y N 0.815 121.118 120.300 0.006 0.000 2.286 755 Y HA -0.005 4.544 4.550 -0.002 0.000 0.293 755 Y C 2.530 178.413 175.900 -0.028 0.000 1.124 755 Y CA 1.096 59.206 58.100 0.016 0.000 1.178 755 Y CB -0.435 38.113 38.460 0.147 0.000 1.010 755 Y HN 0.180 nan 8.280 nan 0.000 0.536 756 E N 0.741 120.988 120.200 0.078 0.000 2.107 756 E HA -0.089 4.260 4.350 -0.002 0.000 0.191 756 E C 1.822 178.336 176.600 -0.143 0.000 0.982 756 E CA 0.989 57.375 56.400 -0.024 0.000 0.809 756 E CB -0.430 29.241 29.700 -0.049 0.000 0.756 756 E HN 0.450 nan 8.360 nan 0.000 0.459 757 L N 0.000 121.096 121.223 -0.211 0.000 2.056 757 L HA -0.137 4.202 4.340 -0.002 0.000 0.207 757 L C 2.420 179.158 176.870 -0.221 0.000 1.078 757 L CA 1.590 56.266 54.840 -0.273 0.000 0.749 757 L CB -0.885 40.988 42.059 -0.309 0.000 0.901 757 L HN 0.174 nan 8.230 nan 0.000 0.433 758 T N 0.369 114.809 114.554 -0.190 0.000 2.607 758 T HA -0.276 4.073 4.350 -0.002 0.000 0.267 758 T C 2.023 176.639 174.700 -0.140 0.000 1.049 758 T CA 1.720 63.718 62.100 -0.170 0.000 1.162 758 T CB -0.399 68.400 68.868 -0.117 0.000 0.863 758 T HN 0.464 nan 8.240 nan 0.000 0.424 759 A N 1.485 124.255 122.820 -0.083 0.000 1.933 759 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 759 A C 2.343 179.891 177.584 -0.061 0.000 1.175 759 A CA 1.268 53.272 52.037 -0.055 0.000 0.628 759 A CB -0.402 18.595 19.000 -0.004 0.000 0.814 759 A HN 0.385 nan 8.150 nan 0.000 0.444 760 E N 0.020 120.171 120.200 -0.081 0.000 2.051 760 E HA -0.171 4.178 4.350 -0.002 0.000 0.192 760 E C 2.413 178.971 176.600 -0.069 0.000 0.991 760 E CA 1.275 57.640 56.400 -0.057 0.000 0.799 760 E CB -0.611 29.042 29.700 -0.078 0.000 0.748 760 E HN 0.566 nan 8.360 nan 0.000 0.449 761 A N 1.371 124.117 122.820 -0.123 0.000 1.940 761 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 761 A C 2.398 179.910 177.584 -0.120 0.000 1.176 761 A CA 1.262 53.222 52.037 -0.127 0.000 0.631 761 A CB -0.748 18.143 19.000 -0.182 0.000 0.814 761 A HN 0.168 nan 8.150 nan 0.000 0.446 762 L N -1.299 119.822 121.223 -0.170 0.000 2.056 762 L HA -0.181 4.158 4.340 -0.002 0.000 0.207 762 L C 2.847 179.714 176.870 -0.006 0.000 1.078 762 L CA 1.414 56.120 54.840 -0.223 0.000 0.749 762 L CB -0.540 41.306 42.059 -0.355 0.000 0.901 762 L HN 0.351 nan 8.230 nan 0.000 0.433 763 R N -0.125 120.378 120.500 0.005 0.000 2.103 763 R HA -0.187 4.152 4.340 -0.002 0.000 0.242 763 R C 2.253 178.582 176.300 0.047 0.000 1.142 763 R CA 1.679 57.805 56.100 0.044 0.000 0.960 763 R CB -0.397 29.925 30.300 0.036 0.000 0.858 763 R HN 0.345 nan 8.270 nan 0.000 0.439 764 M N -0.278 119.336 119.600 0.024 0.000 2.319 764 M HA -0.063 4.415 4.480 -0.002 0.000 0.265 764 M C 2.001 178.324 176.300 0.038 0.000 1.068 764 M CA 1.299 56.614 55.300 0.025 0.000 1.118 764 M CB -0.013 32.592 32.600 0.007 0.000 1.395 764 M HN 0.100 nan 8.290 nan 0.000 0.435 765 I N -0.858 119.743 120.570 0.053 0.000 2.188 765 I HA -0.112 4.056 4.170 -0.002 0.000 0.237 765 I C 0.526 176.720 176.117 0.129 0.000 1.073 765 I CA 0.958 62.316 61.300 0.096 0.000 1.359 765 I CB 0.278 38.356 38.000 0.130 0.000 1.083 765 I HN 0.143 nan 8.210 nan 0.000 0.412 766 D N -0.621 119.897 120.400 0.197 0.000 2.312 766 D HA 0.260 4.899 4.640 -0.002 0.000 0.229 766 D C 0.382 176.790 176.300 0.179 0.000 1.337 766 D CA 0.006 54.094 54.000 0.146 0.000 0.964 766 D CB 1.371 42.221 40.800 0.084 0.000 1.456 766 D HN 0.136 nan 8.370 nan 0.000 0.547 767 A N 3.102 125.991 122.820 0.114 0.000 1.908 767 A HA -0.196 4.123 4.320 -0.002 0.000 0.218 767 A C 1.583 179.217 177.584 0.083 0.000 1.181 767 A CA 1.588 53.688 52.037 0.105 0.000 0.627 767 A CB -0.036 19.003 19.000 0.066 0.000 0.818 767 A HN 0.522 nan 8.150 nan 0.000 0.445 768 D N -0.669 119.754 120.400 0.038 0.000 2.117 768 D HA -0.126 4.513 4.640 -0.002 0.000 0.198 768 D C 1.919 178.198 176.300 -0.035 0.000 0.982 768 D CA 1.530 55.533 54.000 0.005 0.000 0.828 768 D CB -0.281 40.515 40.800 -0.007 0.000 0.967 768 D HN 0.641 nan 8.370 nan 0.000 0.464 769 K N -0.033 120.307 120.400 -0.100 0.000 2.097 769 K HA -0.149 4.170 4.320 -0.002 0.000 0.206 769 K C 1.200 177.614 176.600 -0.309 0.000 1.049 769 K CA 1.056 57.189 56.287 -0.258 0.000 0.933 769 K CB -0.087 32.158 32.500 -0.425 0.000 0.717 769 K HN 0.214 nan 8.250 nan 0.000 0.442 770 Y N -0.237 120.068 120.300 0.007 0.000 2.485 770 Y HA 0.262 4.811 4.550 -0.002 0.000 0.260 770 Y C 1.840 177.745 175.900 0.008 0.000 1.173 770 Y CA -0.116 57.989 58.100 0.007 0.000 1.252 770 Y CB 0.393 38.857 38.460 0.008 0.000 1.123 770 Y HN 0.155 nan 8.280 nan 0.000 0.524 771 A N 0.529 123.413 122.820 0.107 0.000 1.903 771 A HA -0.273 4.045 4.320 -0.002 0.000 0.219 771 A C 1.848 179.472 177.584 0.067 0.000 1.191 771 A CA 2.481 54.563 52.037 0.075 0.000 0.638 771 A CB -0.507 18.517 19.000 0.041 0.000 0.823 771 A HN 0.346 nan 8.150 nan 0.000 0.451 772 D N -0.783 119.653 120.400 0.059 0.000 2.117 772 D HA -0.121 4.517 4.640 -0.002 0.000 0.198 772 D C 1.932 178.268 176.300 0.060 0.000 0.982 772 D CA 1.737 55.766 54.000 0.049 0.000 0.828 772 D CB -0.245 40.577 40.800 0.036 0.000 0.967 772 D HN 0.487 nan 8.370 nan 0.000 0.464 773 K N 0.905 121.361 120.400 0.092 0.000 2.097 773 K HA 0.001 4.320 4.320 -0.002 0.000 0.205 773 K C 2.041 178.674 176.600 0.055 0.000 1.050 773 K CA 0.604 56.939 56.287 0.080 0.000 0.938 773 K CB -0.381 32.198 32.500 0.131 0.000 0.718 773 K HN 0.099 nan 8.250 nan 0.000 0.442 774 I N 0.821 121.433 120.570 0.070 0.000 2.179 774 I HA -0.272 3.896 4.170 -0.002 0.000 0.242 774 I C 2.178 178.323 176.117 0.046 0.000 1.088 774 I CA 1.555 62.886 61.300 0.051 0.000 1.357 774 I CB -0.347 37.690 38.000 0.062 0.000 1.051 774 I HN 0.316 nan 8.210 nan 0.000 0.409 775 D N 0.591 121.019 120.400 0.047 0.000 2.144 775 D HA -0.195 4.444 4.640 -0.002 0.000 0.199 775 D C 2.023 178.348 176.300 0.040 0.000 0.984 775 D CA 1.330 55.354 54.000 0.041 0.000 0.834 775 D CB 0.166 40.987 40.800 0.036 0.000 0.955 775 D HN 0.327 nan 8.370 nan 0.000 0.465 776 E N -0.101 120.121 120.200 0.037 0.000 2.106 776 E HA -0.067 4.282 4.350 -0.002 0.000 0.192 776 E C 2.338 178.965 176.600 0.044 0.000 0.984 776 E CA 0.362 56.781 56.400 0.032 0.000 0.806 776 E CB 0.010 29.716 29.700 0.010 0.000 0.750 776 E HN 0.267 nan 8.360 nan 0.000 0.458 777 L N 0.867 122.116 121.223 0.044 0.000 2.017 777 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 777 L C 2.326 179.252 176.870 0.094 0.000 1.073 777 L CA 1.065 55.949 54.840 0.073 0.000 0.745 777 L CB -0.405 41.697 42.059 0.072 0.000 0.894 777 L HN 0.124 nan 8.230 nan 0.000 0.432 778 E N 0.384 120.626 120.200 0.069 0.000 2.051 778 E HA -0.185 4.164 4.350 -0.002 0.000 0.192 778 E C 2.146 178.772 176.600 0.044 0.000 0.991 778 E CA 1.043 57.477 56.400 0.057 0.000 0.799 778 E CB -0.239 29.486 29.700 0.042 0.000 0.748 778 E HN 0.432 nan 8.360 nan 0.000 0.449 779 K N 0.384 120.812 120.400 0.046 0.000 2.097 779 K HA -0.125 4.194 4.320 -0.002 0.000 0.206 779 K C 2.122 178.731 176.600 0.015 0.000 1.049 779 K CA 0.632 56.940 56.287 0.035 0.000 0.933 779 K CB -0.614 31.914 32.500 0.047 0.000 0.717 779 K HN 0.126 nan 8.250 nan 0.000 0.442 780 F N 2.598 122.474 119.950 -0.122 0.000 2.216 780 F HA -0.126 4.399 4.527 -0.002 0.000 0.300 780 F C 2.287 177.936 175.800 -0.253 0.000 1.085 780 F CA 1.194 59.045 58.000 -0.249 0.000 1.326 780 F CB -0.019 38.735 39.000 -0.410 0.000 1.027 780 F HN -0.085 nan 8.300 nan 0.000 0.497 781 R N 0.046 120.452 120.500 -0.158 0.000 2.091 781 R HA -0.175 4.164 4.340 -0.002 0.000 0.238 781 R C 1.827 178.126 176.300 -0.003 0.000 1.136 781 R CA 1.684 57.776 56.100 -0.013 0.000 0.959 781 R CB -0.556 29.833 30.300 0.148 0.000 0.856 781 R HN 0.252 nan 8.270 nan 0.000 0.437 782 D N 0.014 120.396 120.400 -0.030 0.000 2.144 782 D HA -0.157 4.482 4.640 -0.002 0.000 0.200 782 D C 1.721 178.024 176.300 0.005 0.000 0.978 782 D CA 0.995 55.024 54.000 0.048 0.000 0.833 782 D CB -0.036 40.784 40.800 0.033 0.000 0.961 782 D HN 0.354 nan 8.370 nan 0.000 0.470 783 E N 0.401 120.485 120.200 -0.194 0.000 2.107 783 E HA -0.083 4.266 4.350 -0.002 0.000 0.191 783 E C 1.904 178.317 176.600 -0.312 0.000 0.982 783 E CA 0.805 57.066 56.400 -0.232 0.000 0.809 783 E CB 0.071 29.613 29.700 -0.263 0.000 0.756 783 E HN 0.124 nan 8.360 nan 0.000 0.459 784 A N 0.487 122.893 122.820 -0.690 0.000 2.015 784 A HA -0.117 4.202 4.320 -0.002 0.000 0.219 784 A C 1.922 179.510 177.584 0.006 0.000 1.163 784 A CA 0.915 52.592 52.037 -0.600 0.000 0.646 784 A CB -0.735 17.500 19.000 -1.275 0.000 0.806 784 A HN 0.535 nan 8.150 nan 0.000 0.448 785 F N 0.183 120.177 119.950 0.073 0.000 2.098 785 F HA -0.139 4.387 4.527 -0.002 0.000 0.294 785 F C 2.422 178.265 175.800 0.071 0.000 1.107 785 F CA 1.972 60.070 58.000 0.163 0.000 1.234 785 F CB -0.131 38.928 39.000 0.099 0.000 1.002 785 F HN 0.280 nan 8.300 nan 0.000 0.472 786 Q N 0.457 120.182 119.800 -0.125 0.000 2.135 786 Q HA -0.264 4.075 4.340 -0.002 0.000 0.204 786 Q C 1.977 177.862 176.000 -0.193 0.000 0.981 786 Q CA 2.177 57.843 55.803 -0.229 0.000 0.856 786 Q CB -0.986 27.705 28.738 -0.078 0.000 0.902 786 Q HN 0.598 nan 8.270 nan 0.000 0.425 787 F N 0.003 119.833 119.950 -0.199 0.000 2.069 787 F HA -0.229 4.297 4.527 -0.002 0.000 0.298 787 F C 1.974 177.616 175.800 -0.263 0.000 1.113 787 F CA 1.753 59.640 58.000 -0.190 0.000 1.214 787 F CB -0.639 38.301 39.000 -0.100 0.000 0.978 787 F HN 0.168 nan 8.300 nan 0.000 0.474 788 A N -0.044 122.799 122.820 0.039 0.000 1.873 788 A HA -0.212 4.107 4.320 -0.002 0.000 0.218 788 A C 2.290 179.728 177.584 -0.245 0.000 1.193 788 A CA 2.375 54.377 52.037 -0.059 0.000 0.629 788 A CB -1.491 17.529 19.000 0.033 0.000 0.826 788 A HN 0.284 nan 8.150 nan 0.000 0.447 789 V N 0.776 120.446 119.914 -0.407 0.000 2.282 789 V HA -0.297 3.822 4.120 -0.002 0.000 0.249 789 V C 2.197 178.119 176.094 -0.286 0.000 1.057 789 V CA 2.468 64.546 62.300 -0.371 0.000 1.032 789 V CB -0.883 30.640 31.823 -0.501 0.000 0.645 789 V HN 0.541 nan 8.190 nan 0.000 0.447 790 D N -0.225 119.972 120.400 -0.337 0.000 2.144 790 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 790 D C 1.861 177.947 176.300 -0.357 0.000 0.978 790 D CA 1.165 54.969 54.000 -0.326 0.000 0.833 790 D CB -0.205 40.377 40.800 -0.363 0.000 0.961 790 D HN 0.492 nan 8.370 nan 0.000 0.470 791 N N -1.047 117.358 118.700 -0.492 0.000 2.332 791 N HA 0.092 4.831 4.740 -0.002 0.000 0.190 791 N C 1.211 176.609 175.510 -0.187 0.000 1.117 791 N CA 0.810 53.581 53.050 -0.465 0.000 0.883 791 N CB 1.874 39.754 38.487 -1.012 0.000 1.089 791 N HN 0.179 nan 8.380 nan 0.000 0.480 792 G N 1.165 109.874 108.800 -0.152 0.000 2.132 792 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.234 792 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.234 792 G C -0.279 174.741 174.900 0.200 0.000 0.989 792 G CA 0.856 45.977 45.100 0.034 0.000 0.676 792 G HN 0.537 nan 8.290 nan 0.000 0.522 793 Y N -2.535 117.830 120.300 0.108 0.000 2.750 793 Y HA 0.711 5.260 4.550 -0.002 0.000 0.335 793 Y C -0.946 175.153 175.900 0.331 0.000 1.252 793 Y CA -1.624 56.586 58.100 0.183 0.000 1.064 793 Y CB 0.342 38.898 38.460 0.159 0.000 1.321 793 Y HN -0.013 nan 8.280 nan 0.000 0.451 794 D N 0.864 121.484 120.400 0.366 0.000 2.283 794 D HA 0.094 4.733 4.640 -0.002 0.000 0.248 794 D C -0.407 175.889 176.300 -0.006 0.000 1.072 794 D CA -0.026 54.110 54.000 0.227 0.000 0.929 794 D CB 0.606 41.568 40.800 0.269 0.000 1.182 794 D HN 0.674 nan 8.370 nan 0.000 0.433 795 H N 3.244 122.013 119.070 -0.502 0.000 3.094 795 H HA -0.031 4.524 4.556 -0.002 0.000 0.320 795 H C -1.482 173.651 175.328 -0.326 0.000 1.000 795 H CA -0.826 54.596 56.048 -1.042 0.000 1.413 795 H CB 1.158 30.453 29.762 -0.780 0.000 1.405 795 H HN 0.146 nan 8.280 nan 0.000 0.586 796 P HA -0.188 nan 4.420 nan 0.000 0.218 796 P C 1.108 178.535 177.300 0.211 0.000 1.146 796 P CA 1.505 64.619 63.100 0.023 0.000 0.813 796 P CB 0.341 31.999 31.700 -0.071 0.000 0.778 797 D N -1.401 119.266 120.400 0.445 0.000 2.149 797 D HA -0.222 4.417 4.640 -0.002 0.000 0.198 797 D C 1.960 178.474 176.300 0.355 0.000 0.990 797 D CA 1.037 55.250 54.000 0.356 0.000 0.839 797 D CB -0.600 40.355 40.800 0.257 0.000 0.948 797 D HN 0.104 nan 8.370 nan 0.000 0.460 798 Y N 0.393 120.849 120.300 0.259 0.000 2.130 798 Y HA -0.132 4.417 4.550 -0.002 0.000 0.287 798 Y C 2.627 178.659 175.900 0.221 0.000 1.124 798 Y CA 2.457 60.680 58.100 0.205 0.000 1.118 798 Y CB -0.779 37.756 38.460 0.124 0.000 0.994 798 Y HN 0.097 nan 8.280 nan 0.000 0.497 799 T N -2.552 112.197 114.554 0.326 0.000 2.867 799 T HA -0.120 4.229 4.350 -0.002 0.000 0.268 799 T C 1.181 175.965 174.700 0.140 0.000 1.057 799 T CA 1.541 63.781 62.100 0.233 0.000 1.136 799 T CB -0.324 68.693 68.868 0.248 0.000 0.874 799 T HN 0.253 nan 8.240 nan 0.000 0.466 800 D N -0.312 120.179 120.400 0.151 0.000 2.350 800 D HA 0.124 4.763 4.640 -0.002 0.000 0.213 800 D C 0.175 176.533 176.300 0.096 0.000 1.031 800 D CA -0.318 53.739 54.000 0.095 0.000 0.861 800 D CB -0.391 40.457 40.800 0.080 0.000 0.926 800 D HN 0.588 nan 8.370 nan 0.000 0.520 801 W N 2.240 123.528 121.300 -0.018 0.000 2.385 801 W HA 0.155 4.814 4.660 -0.002 0.000 0.336 801 W C -0.612 175.905 176.519 -0.004 0.000 1.351 801 W CA 0.083 57.421 57.345 -0.011 0.000 1.295 801 W CB 0.415 29.853 29.460 -0.036 0.000 1.239 801 W HN -0.366 nan 8.180 nan 0.000 0.565 802 V N 8.577 128.019 119.914 -0.787 0.000 2.604 802 V HA 0.137 4.256 4.120 -0.002 0.000 0.305 802 V C -0.572 174.885 176.094 -1.061 0.000 1.043 802 V CA -1.349 60.418 62.300 -0.888 0.000 0.888 802 V CB 1.118 32.690 31.823 -0.418 0.000 0.995 802 V HN 0.356 nan 8.190 nan 0.000 0.429 803 Y N 3.334 122.990 120.300 -1.073 0.000 2.620 803 Y HA 0.062 4.610 4.550 -0.002 0.000 0.330 803 Y C 1.870 177.733 175.900 -0.060 0.000 1.186 803 Y CA 0.344 58.225 58.100 -0.365 0.000 1.467 803 Y CB 1.321 39.819 38.460 0.063 0.000 1.262 803 Y HN 0.866 nan 8.280 nan 0.000 0.550 804 S N 2.299 117.701 115.700 -0.496 0.000 2.440 804 S HA -0.192 4.277 4.470 -0.002 0.000 0.240 804 S C 1.913 176.273 174.600 -0.400 0.000 1.014 804 S CA 1.104 59.080 58.200 -0.374 0.000 0.980 804 S CB -0.903 62.167 63.200 -0.217 0.000 0.775 804 S HN 0.925 nan 8.310 nan 0.000 0.499 805 G N 0.525 108.906 108.800 -0.699 0.000 2.744 805 G HA2 0.251 4.210 3.960 -0.002 0.000 0.211 805 G HA3 0.251 4.210 3.960 -0.002 0.000 0.211 805 G C 0.257 175.184 174.900 0.044 0.000 1.143 805 G CA -0.017 45.010 45.100 -0.122 0.000 0.788 805 G HN 0.455 nan 8.290 nan 0.000 0.534 806 V N 1.632 121.555 119.914 0.015 0.000 2.432 806 V HA 0.131 4.250 4.120 -0.002 0.000 0.271 806 V C 0.052 176.154 176.094 0.014 0.000 1.046 806 V CA -1.072 61.254 62.300 0.044 0.000 0.945 806 V CB 1.131 32.974 31.823 0.034 0.000 0.992 806 V HN 0.210 nan 8.190 nan 0.000 0.471 807 N N 4.070 122.794 118.700 0.040 0.000 2.406 807 N HA 0.005 4.743 4.740 -0.002 0.000 0.269 807 N C 1.351 176.898 175.510 0.062 0.000 1.210 807 N CA 0.521 53.593 53.050 0.036 0.000 0.966 807 N CB 1.079 39.583 38.487 0.027 0.000 1.293 807 N HN 0.818 nan 8.380 nan 0.000 0.491 808 T N -0.548 114.017 114.554 0.019 0.000 2.942 808 T HA -0.054 4.295 4.350 -0.002 0.000 0.265 808 T C 0.963 175.669 174.700 0.009 0.000 1.062 808 T CA 0.607 62.709 62.100 0.002 0.000 1.139 808 T CB 0.044 68.894 68.868 -0.029 0.000 0.883 808 T HN 0.352 nan 8.240 nan 0.000 0.468 809 D N 1.166 121.575 120.400 0.014 0.000 2.182 809 D HA -0.036 4.603 4.640 -0.002 0.000 0.201 809 D C 1.095 177.416 176.300 0.036 0.000 0.986 809 D CA 0.844 54.853 54.000 0.015 0.000 0.847 809 D CB -0.085 40.721 40.800 0.009 0.000 0.942 809 D HN 0.298 nan 8.370 nan 0.000 0.467 810 K N 1.950 122.392 120.400 0.071 0.000 2.355 810 K HA -0.022 4.297 4.320 -0.002 0.000 0.270 810 K C 1.201 177.907 176.600 0.177 0.000 1.003 810 K CA -0.247 56.115 56.287 0.125 0.000 0.957 810 K CB 0.993 33.599 32.500 0.176 0.000 0.939 810 K HN -0.176 nan 8.250 nan 0.000 0.482 811 K N 1.229 121.743 120.400 0.189 0.000 2.595 811 K HA -0.248 4.071 4.320 -0.002 0.000 0.122 811 K C 1.120 177.763 176.600 0.072 0.000 0.675 811 K CA 2.304 58.703 56.287 0.187 0.000 0.841 811 K CB -1.253 31.402 32.500 0.258 0.000 0.267 811 K HN 0.881 nan 8.250 nan 0.000 1.062 812 G N 0.158 108.946 108.800 -0.020 0.000 3.574 812 G HA2 0.341 4.300 3.960 -0.002 0.000 0.262 812 G HA3 0.341 4.300 3.960 -0.002 0.000 0.262 812 G C 1.006 175.517 174.900 -0.648 0.000 1.231 812 G CA 0.632 45.566 45.100 -0.278 0.000 1.608 812 G HN 0.546 nan 8.290 nan 0.000 0.628 813 A N 0.164 122.690 122.820 -0.489 0.000 1.835 813 A HA 0.291 4.610 4.320 -0.002 0.000 0.213 813 A C 1.559 179.074 177.584 -0.114 0.000 1.210 813 A CA 0.925 52.781 52.037 -0.301 0.000 0.605 813 A CB -0.443 18.541 19.000 -0.027 0.000 0.860 813 A HN 0.345 nan 8.150 nan 0.000 0.447 814 V N 0.000 119.846 119.914 -0.114 0.000 2.409 814 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 814 V CA 0.000 62.221 62.300 -0.132 0.000 1.235 814 V CB 0.000 31.767 31.823 -0.094 0.000 1.184 814 V HN 0.000 nan 8.190 nan 0.000 0.556