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 2ecp_1_A DATA FIRST_RESID 18 DATA SEQUENCE SQPIFNDKQF QEALSRQWXQ RYGLNAAEMT PRQWWLAVSE ALAEMLRAQX DATA SEQUENCE XXXPFAKPVA NQRHVNYISM EFLIGRLTGN NLLNLGWYQD VQDSLKAYDI DATA SEQUENCE NLTDLLEEEI DPALGNGGLG RLAACFLDSM ATVGQSATGY GLNYQYGLFR DATA SEQUENCE QSFVDGKQVE APDDWHRSNY PWFRHNEALD VQVGIGGAVT KXXXDGRWEP DATA SEQUENCE EFTITGQAWD LPVVGYRNGV AQPLRLWQAT HAHPFDLTKF NDGDFLRAEQ DATA SEQUENCE QGINAEKLTK VLYPNDNHTA GKKLRLMQQY FQCACSVADI LRRHHLAGRX DATA SEQUENCE XXXXXXXELH ELADYEVIQL NDTHPTIAIP ELLRVLIDEH QMSWDDAWAI DATA SEQUENCE TSKTFAYTNH TLMPEALERW DVKLVKGLLP RHMQIINEIN TRFKTLVEKT DATA SEQUENCE WPGDEKVWAK LAVVHDXXXK QVHMANLCVV GGFAVNGVAA LHSDLVVKDL DATA SEQUENCE FPEYHQLWPN KFHNVTNGIT PRRWIKQCNP ALAALLDKSL QKEWANDLDQ DATA SEQUENCE LINLVKLADD AKFRDLYRVI KQANKVRLAE FVKVRTGIDI NPQAIFDIQI DATA SEQUENCE KRLHEYKRQH LNLLRILALY KEIRENPQAD RVPRVFLFGA KAAPGYYLAK DATA SEQUENCE NIIFAINKVA DVINNDPLVG DKLKVVFLPD YCVSAAEKLI PAADISEQIS DATA SEQUENCE TAGKEASGTG NMKLALNGAL TVGTLDGANV EIAEKVGEEN IFIFGHTVKQ DATA SEQUENCE VKAILAKGYD PVKWRKKDKV LDAVLKELES GKYSDGDKHA FDQMLHSIQG DATA SEQUENCE GDPYLVMADF AAYVEAQKQV DVLYRDQEAW TRAAILNTAR CGMFSSDRSI DATA SEQUENCE RDYQARIWQA ARXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXSXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGK 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 18 S HA 0.000 nan 4.470 nan 0.000 0.327 18 S C 0.000 174.614 174.600 0.023 0.000 1.055 18 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 18 S CB 0.000 63.119 63.200 -0.135 0.000 0.593 19 Q N 1.611 121.400 119.800 -0.019 0.000 1.941 19 Q HA 0.159 4.500 4.340 0.001 0.000 0.201 19 Q C -1.643 174.414 176.000 0.095 0.000 0.982 19 Q CA 1.188 56.998 55.803 0.011 0.000 0.839 19 Q CB -1.107 27.611 28.738 -0.034 0.000 0.904 19 Q HN 0.443 nan 8.270 nan 0.000 0.427 20 P HA 0.019 nan 4.420 nan 0.000 0.262 20 P C -0.879 176.745 177.300 0.539 0.000 1.199 20 P CA 0.811 64.090 63.100 0.299 0.000 0.763 20 P CB 0.175 32.018 31.700 0.238 0.000 0.790 21 I N 4.532 125.296 120.570 0.324 0.000 2.337 21 I HA 0.131 4.301 4.170 0.001 0.000 0.291 21 I C 0.619 176.661 176.117 -0.125 0.000 1.046 21 I CA -0.734 60.660 61.300 0.156 0.000 1.324 21 I CB 0.122 38.149 38.000 0.045 0.000 1.409 21 I HN 0.303 nan 8.210 nan 0.000 0.494 22 F N 8.647 128.177 119.950 -0.701 0.000 2.506 22 F HA 0.127 4.655 4.527 0.001 0.000 0.371 22 F C 0.357 175.802 175.800 -0.591 0.000 1.078 22 F CA 0.115 57.309 58.000 -1.343 0.000 1.195 22 F CB 0.218 38.157 39.000 -1.769 0.000 1.099 22 F HN 0.465 nan 8.300 nan 0.000 0.548 23 N N 5.100 123.171 118.700 -1.048 0.000 2.392 23 N HA 0.063 4.803 4.740 0.001 0.000 0.283 23 N C 0.057 174.986 175.510 -0.970 0.000 1.003 23 N CA -0.330 52.303 53.050 -0.695 0.000 0.892 23 N CB 1.463 39.711 38.487 -0.397 0.000 1.193 23 N HN 0.845 nan 8.380 nan 0.000 0.487 24 D N 2.559 122.620 120.400 -0.565 0.000 2.183 24 D HA -0.070 4.571 4.640 0.001 0.000 0.203 24 D C 1.707 177.938 176.300 -0.115 0.000 0.969 24 D CA 1.252 55.086 54.000 -0.276 0.000 0.842 24 D CB 0.429 41.227 40.800 -0.004 0.000 0.957 24 D HN 0.523 nan 8.370 nan 0.000 0.484 25 K N 0.006 120.325 120.400 -0.135 0.000 2.097 25 K HA -0.151 4.169 4.320 0.001 0.000 0.205 25 K C 2.097 178.635 176.600 -0.103 0.000 1.050 25 K CA 0.837 57.075 56.287 -0.083 0.000 0.938 25 K CB -0.002 32.450 32.500 -0.080 0.000 0.718 25 K HN 0.168 nan 8.250 nan 0.000 0.442 26 Q N -0.313 119.389 119.800 -0.164 0.000 2.050 26 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 26 Q C 1.960 177.886 176.000 -0.123 0.000 0.980 26 Q CA 1.591 57.300 55.803 -0.156 0.000 0.840 26 Q CB -0.149 28.468 28.738 -0.202 0.000 0.898 26 Q HN 0.310 nan 8.270 nan 0.000 0.424 27 F N 1.317 121.074 119.950 -0.322 0.000 2.113 27 F HA -0.200 4.328 4.527 0.001 0.000 0.297 27 F C 2.310 178.078 175.800 -0.054 0.000 1.103 27 F CA 1.539 59.425 58.000 -0.190 0.000 1.248 27 F CB -0.202 38.665 39.000 -0.222 0.000 0.999 27 F HN 0.102 nan 8.300 nan 0.000 0.475 28 Q N 0.357 120.122 119.800 -0.059 0.000 2.135 28 Q HA -0.225 4.115 4.340 0.001 0.000 0.204 28 Q C 2.077 177.985 176.000 -0.153 0.000 0.981 28 Q CA 2.003 57.766 55.803 -0.067 0.000 0.856 28 Q CB -0.488 28.320 28.738 0.116 0.000 0.902 28 Q HN 0.629 nan 8.270 nan 0.000 0.425 29 E N 0.567 120.673 120.200 -0.157 0.000 2.076 29 E HA -0.060 4.290 4.350 0.001 0.000 0.190 29 E C 2.027 178.470 176.600 -0.261 0.000 0.979 29 E CA 0.694 56.985 56.400 -0.182 0.000 0.807 29 E CB -0.073 29.544 29.700 -0.138 0.000 0.761 29 E HN 0.316 nan 8.360 nan 0.000 0.454 30 A N 1.375 124.033 122.820 -0.269 0.000 1.883 30 A HA -0.199 4.121 4.320 0.001 0.000 0.217 30 A C 2.178 179.518 177.584 -0.406 0.000 1.186 30 A CA 1.209 53.068 52.037 -0.298 0.000 0.624 30 A CB -0.585 18.278 19.000 -0.229 0.000 0.822 30 A HN 0.234 nan 8.150 nan 0.000 0.444 31 L N 0.782 121.695 121.223 -0.517 0.000 2.093 31 L HA -0.124 4.217 4.340 0.001 0.000 0.208 31 L C 2.762 179.332 176.870 -0.500 0.000 1.085 31 L CA 2.636 57.168 54.840 -0.513 0.000 0.755 31 L CB -0.591 41.115 42.059 -0.588 0.000 0.904 31 L HN 0.528 nan 8.230 nan 0.000 0.435 32 S N 0.212 115.592 115.700 -0.534 0.000 2.402 32 S HA -0.231 4.240 4.470 0.001 0.000 0.229 32 S C 2.043 175.912 174.600 -1.219 0.000 1.021 32 S CA 0.976 58.550 58.200 -1.043 0.000 0.974 32 S CB -0.703 62.160 63.200 -0.563 0.000 0.800 32 S HN 0.700 nan 8.310 nan 0.000 0.484 33 R N 0.553 120.623 120.500 -0.718 0.000 2.148 33 R HA 0.056 4.396 4.340 0.001 0.000 0.223 33 R C 2.022 177.974 176.300 -0.581 0.000 1.088 33 R CA 0.786 56.536 56.100 -0.583 0.000 0.985 33 R CB -0.497 29.574 30.300 -0.382 0.000 0.880 33 R HN 0.297 nan 8.270 nan 0.000 0.451 34 Q N 1.583 121.016 119.800 -0.611 0.000 1.975 34 Q HA -0.118 4.223 4.340 0.001 0.000 0.205 34 Q C 1.346 176.790 176.000 -0.927 0.000 0.990 34 Q CA 1.646 57.036 55.803 -0.687 0.000 0.845 34 Q CB -0.855 27.512 28.738 -0.619 0.000 0.913 34 Q HN 0.535 nan 8.270 nan 0.000 0.420 38 R N 0.110 120.480 120.500 -0.218 0.000 2.148 38 R HA 0.004 4.345 4.340 0.001 0.000 0.223 38 R C 0.740 177.151 176.300 0.185 0.000 1.088 38 R CA 1.082 57.154 56.100 -0.046 0.000 0.985 38 R CB 0.322 30.579 30.300 -0.070 0.000 0.880 38 R HN 0.121 nan 8.270 nan 0.000 0.451 39 Y N -0.326 119.949 120.300 -0.040 0.000 2.471 39 Y HA 0.288 4.839 4.550 0.001 0.000 0.286 39 Y C 1.209 177.115 175.900 0.010 0.000 1.188 39 Y CA -0.261 57.830 58.100 -0.015 0.000 1.286 39 Y CB -0.404 38.048 38.460 -0.014 0.000 1.072 39 Y HN 0.150 nan 8.280 nan 0.000 0.517 40 G N 1.162 110.054 108.800 0.154 0.000 2.338 40 G HA2 -0.259 3.702 3.960 0.001 0.000 0.296 40 G HA3 -0.259 3.702 3.960 0.001 0.000 0.296 40 G C -0.520 174.459 174.900 0.132 0.000 1.040 40 G CA -0.059 45.105 45.100 0.107 0.000 1.004 40 G HN 0.147 nan 8.290 nan 0.000 0.509 41 L N -0.861 120.485 121.223 0.205 0.000 2.334 41 L HA 0.496 4.837 4.340 0.001 0.000 0.272 41 L C 1.155 178.170 176.870 0.241 0.000 1.020 41 L CA -0.610 54.335 54.840 0.175 0.000 0.812 41 L CB 1.475 43.622 42.059 0.147 0.000 1.264 41 L HN 0.221 nan 8.230 nan 0.000 0.439 42 N N 0.630 119.364 118.700 0.056 0.000 2.336 42 N HA 0.103 4.843 4.740 0.001 0.000 0.189 42 N C 1.116 176.485 175.510 -0.236 0.000 1.113 42 N CA 0.540 53.616 53.050 0.043 0.000 0.858 42 N CB 0.389 38.879 38.487 0.005 0.000 0.970 42 N HN 0.740 nan 8.380 nan 0.000 0.471 43 A N 0.426 122.368 122.820 -1.463 0.000 2.081 43 A HA 0.304 4.624 4.320 0.001 0.000 0.214 43 A C 2.105 179.385 177.584 -0.508 0.000 1.158 43 A CA 0.580 51.919 52.037 -1.165 0.000 0.724 43 A CB -0.126 18.376 19.000 -0.829 0.000 0.826 43 A HN 0.274 nan 8.150 nan 0.000 0.463 44 A N -0.072 122.620 122.820 -0.214 0.000 2.209 44 A HA 0.015 4.336 4.320 0.001 0.000 0.212 44 A C 1.608 179.189 177.584 -0.005 0.000 1.158 44 A CA 1.117 53.188 52.037 0.056 0.000 0.742 44 A CB -0.313 18.727 19.000 0.066 0.000 0.790 44 A HN 0.599 nan 8.150 nan 0.000 0.472 45 E N -0.592 119.516 120.200 -0.153 0.000 2.385 45 E HA 0.102 4.453 4.350 0.001 0.000 0.194 45 E C 0.190 176.748 176.600 -0.070 0.000 1.013 45 E CA -0.190 56.153 56.400 -0.095 0.000 0.866 45 E CB -0.030 29.598 29.700 -0.120 0.000 0.832 45 E HN 0.629 nan 8.360 nan 0.000 0.500 46 M N 1.630 121.123 119.600 -0.178 0.000 2.245 46 M HA 0.021 4.501 4.480 0.001 0.000 0.344 46 M C 0.752 177.100 176.300 0.080 0.000 1.170 46 M CA 0.253 55.463 55.300 -0.149 0.000 1.135 46 M CB 0.496 32.717 32.600 -0.631 0.000 1.574 46 M HN -0.035 nan 8.290 nan 0.000 0.452 47 T N -0.430 114.197 114.554 0.121 0.000 2.874 47 T HA 0.308 4.659 4.350 0.001 0.000 0.281 47 T C -2.123 172.758 174.700 0.302 0.000 0.994 47 T CA -1.785 60.430 62.100 0.192 0.000 1.015 47 T CB 1.136 70.072 68.868 0.113 0.000 1.028 47 T HN 0.351 nan 8.240 nan 0.000 0.523 48 P HA -0.149 nan 4.420 nan 0.000 0.217 48 P C 1.743 179.233 177.300 0.318 0.000 1.158 48 P CA 1.263 64.534 63.100 0.285 0.000 0.887 48 P CB 0.067 31.870 31.700 0.172 0.000 0.792 49 R N -0.472 120.167 120.500 0.232 0.000 2.090 49 R HA -0.106 4.234 4.340 0.001 0.000 0.228 49 R C 2.319 178.794 176.300 0.291 0.000 1.110 49 R CA 1.269 57.517 56.100 0.246 0.000 0.973 49 R CB -0.324 30.049 30.300 0.122 0.000 0.869 49 R HN 0.330 nan 8.270 nan 0.000 0.440 50 Q N -1.232 118.698 119.800 0.215 0.000 2.124 50 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 50 Q C 1.738 177.893 176.000 0.259 0.000 0.977 50 Q CA 1.583 57.513 55.803 0.211 0.000 0.850 50 Q CB -0.136 28.692 28.738 0.150 0.000 0.901 50 Q HN 0.446 nan 8.270 nan 0.000 0.429 51 W N -0.177 121.237 121.300 0.189 0.000 2.379 51 W HA -0.197 4.463 4.660 0.001 0.000 0.307 51 W C 2.096 178.705 176.519 0.150 0.000 1.200 51 W CA 0.654 58.080 57.345 0.135 0.000 1.297 51 W CB -0.406 29.122 29.460 0.114 0.000 1.140 51 W HN 0.296 nan 8.180 nan 0.000 0.507 52 W N 0.387 121.885 121.300 0.331 0.000 2.363 52 W HA -0.159 4.501 4.660 0.001 0.000 0.296 52 W C 1.850 178.456 176.519 0.145 0.000 1.212 52 W CA 1.743 59.221 57.345 0.222 0.000 1.260 52 W CB -0.630 28.940 29.460 0.183 0.000 1.131 52 W HN -0.214 nan 8.180 nan 0.000 0.530 53 L N 0.520 121.765 121.223 0.037 0.000 2.027 53 L HA -0.161 4.179 4.340 0.001 0.000 0.206 53 L C 2.835 179.569 176.870 -0.227 0.000 1.074 53 L CA 1.521 56.224 54.840 -0.228 0.000 0.745 53 L CB -1.376 40.728 42.059 0.074 0.000 0.898 53 L HN 0.088 nan 8.230 nan 0.000 0.433 54 A N -0.272 122.509 122.820 -0.065 0.000 1.873 54 A HA -0.210 4.111 4.320 0.001 0.000 0.218 54 A C 2.328 179.770 177.584 -0.237 0.000 1.193 54 A CA 2.231 54.140 52.037 -0.213 0.000 0.629 54 A CB -1.069 17.748 19.000 -0.305 0.000 0.826 54 A HN 0.189 nan 8.150 nan 0.000 0.447 55 V N -0.125 119.721 119.914 -0.113 0.000 2.287 55 V HA -0.262 3.859 4.120 0.001 0.000 0.248 55 V C 2.841 178.826 176.094 -0.181 0.000 1.053 55 V CA 2.453 64.746 62.300 -0.011 0.000 1.027 55 V CB -0.923 30.995 31.823 0.159 0.000 0.646 55 V HN 0.588 nan 8.190 nan 0.000 0.447 56 S N -0.769 114.643 115.700 -0.480 0.000 2.359 56 S HA -0.219 4.251 4.470 0.001 0.000 0.224 56 S C 1.969 176.023 174.600 -0.911 0.000 1.035 56 S CA 1.537 59.235 58.200 -0.837 0.000 1.018 56 S CB -0.318 62.120 63.200 -1.270 0.000 0.876 56 S HN 0.628 nan 8.310 nan 0.000 0.448 57 E N 1.216 121.035 120.200 -0.634 0.000 2.051 57 E HA -0.102 4.249 4.350 0.001 0.000 0.192 57 E C 2.446 178.823 176.600 -0.372 0.000 0.991 57 E CA 1.097 57.204 56.400 -0.487 0.000 0.799 57 E CB -0.411 29.095 29.700 -0.324 0.000 0.748 57 E HN 0.480 nan 8.360 nan 0.000 0.449 58 A N 1.769 124.409 122.820 -0.299 0.000 1.851 58 A HA -0.181 4.140 4.320 0.001 0.000 0.216 58 A C 2.400 179.957 177.584 -0.045 0.000 1.195 58 A CA 1.297 53.215 52.037 -0.198 0.000 0.622 58 A CB -0.955 17.884 19.000 -0.268 0.000 0.831 58 A HN 0.158 nan 8.150 nan 0.000 0.444 59 L N -0.743 120.497 121.223 0.029 0.000 2.013 59 L HA -0.301 4.039 4.340 0.001 0.000 0.212 59 L C 3.139 180.021 176.870 0.020 0.000 1.073 59 L CA 1.345 56.295 54.840 0.182 0.000 0.753 59 L CB -0.733 41.462 42.059 0.227 0.000 0.890 59 L HN 0.489 nan 8.230 nan 0.000 0.432 60 A N -0.252 122.325 122.820 -0.403 0.000 1.892 60 A HA -0.307 4.013 4.320 0.001 0.000 0.218 60 A C 2.245 179.822 177.584 -0.011 0.000 1.188 60 A CA 2.187 54.077 52.037 -0.244 0.000 0.631 60 A CB -0.629 18.124 19.000 -0.411 0.000 0.822 60 A HN 0.503 nan 8.150 nan 0.000 0.447 61 E N -0.936 119.228 120.200 -0.060 0.000 2.077 61 E HA -0.196 4.154 4.350 0.001 0.000 0.193 61 E C 2.076 178.710 176.600 0.057 0.000 0.989 61 E CA 1.552 57.939 56.400 -0.021 0.000 0.800 61 E CB -0.177 29.478 29.700 -0.075 0.000 0.746 61 E HN 0.679 nan 8.360 nan 0.000 0.452 62 M N -0.086 119.594 119.600 0.134 0.000 2.200 62 M HA -0.113 4.368 4.480 0.001 0.000 0.265 62 M C 2.251 178.732 176.300 0.303 0.000 1.066 62 M CA 0.637 56.078 55.300 0.236 0.000 1.127 62 M CB -0.037 32.786 32.600 0.371 0.000 1.379 62 M HN 0.194 nan 8.290 nan 0.000 0.420 63 L N 0.436 121.831 121.223 0.286 0.000 2.141 63 L HA -0.131 4.210 4.340 0.001 0.000 0.209 63 L C 2.227 179.184 176.870 0.145 0.000 1.094 63 L CA 1.844 56.804 54.840 0.200 0.000 0.763 63 L CB -0.407 41.773 42.059 0.203 0.000 0.908 63 L HN 0.144 nan 8.230 nan 0.000 0.437 64 R N -0.813 119.762 120.500 0.124 0.000 2.189 64 R HA 0.051 4.392 4.340 0.001 0.000 0.218 64 R C 2.194 178.540 176.300 0.077 0.000 1.074 64 R CA 0.823 56.976 56.100 0.088 0.000 0.991 64 R CB -0.412 29.925 30.300 0.063 0.000 0.883 64 R HN 0.477 nan 8.270 nan 0.000 0.457 65 A N 1.193 124.065 122.820 0.086 0.000 1.930 65 A HA -0.089 4.232 4.320 0.001 0.000 0.217 65 A C 1.043 178.676 177.584 0.083 0.000 1.175 65 A CA 0.760 52.839 52.037 0.070 0.000 0.627 65 A CB -0.064 18.974 19.000 0.064 0.000 0.815 65 A HN 0.143 nan 8.150 nan 0.000 0.443 72 F N 2.468 122.421 119.950 0.006 0.000 2.557 72 F HA 0.465 4.992 4.527 0.001 0.000 0.384 72 F C 0.447 176.248 175.800 0.001 0.000 1.057 72 F CA -0.343 57.657 58.000 0.001 0.000 1.169 72 F CB 0.239 39.236 39.000 -0.004 0.000 1.070 72 F HN 0.481 nan 8.300 nan 0.000 0.554 73 A N 7.737 130.184 122.820 -0.621 0.000 2.376 73 A HA 0.195 4.516 4.320 0.001 0.000 0.298 73 A C 0.261 177.229 177.584 -1.027 0.000 1.271 73 A CA -0.754 50.929 52.037 -0.590 0.000 0.926 73 A CB -0.112 18.691 19.000 -0.329 0.000 1.141 73 A HN 0.805 nan 8.150 nan 0.000 0.539 74 K N 4.120 124.084 120.400 -0.727 0.000 2.412 74 K HA 0.205 4.526 4.320 0.001 0.000 0.284 74 K C -2.084 174.373 176.600 -0.238 0.000 1.046 74 K CA -1.114 54.901 56.287 -0.453 0.000 0.999 74 K CB 0.227 32.701 32.500 -0.043 0.000 0.941 74 K HN 0.437 nan 8.250 nan 0.000 0.474 75 P HA -0.058 nan 4.420 nan 0.000 0.271 75 P C -0.643 176.652 177.300 -0.010 0.000 1.238 75 P CA -0.564 62.504 63.100 -0.053 0.000 0.794 75 P CB 0.336 32.051 31.700 0.024 0.000 0.959 76 V N 0.254 120.167 119.914 -0.002 0.000 2.814 76 V HA 0.102 4.222 4.120 0.001 0.000 0.307 76 V C 0.979 177.092 176.094 0.031 0.000 1.089 76 V CA 0.316 62.623 62.300 0.012 0.000 1.212 76 V CB -0.417 31.416 31.823 0.016 0.000 0.912 76 V HN 0.750 nan 8.190 nan 0.000 0.497 77 A N 4.288 127.126 122.820 0.030 0.000 2.346 77 A HA 0.433 4.753 4.320 0.001 0.000 0.252 77 A C 0.719 178.325 177.584 0.037 0.000 1.089 77 A CA -0.443 51.617 52.037 0.038 0.000 0.797 77 A CB -0.344 18.675 19.000 0.031 0.000 1.047 77 A HN 1.079 nan 8.150 nan 0.000 0.494 78 N N 0.366 119.091 118.700 0.041 0.000 2.664 78 N HA -0.156 4.585 4.740 0.001 0.000 0.296 78 N C -0.642 174.882 175.510 0.025 0.000 1.153 78 N CA 1.483 54.550 53.050 0.029 0.000 0.765 78 N CB -0.795 37.701 38.487 0.015 0.000 0.962 78 N HN 0.690 nan 8.380 nan 0.000 0.564 79 Q N 0.098 119.922 119.800 0.039 0.000 2.418 79 Q HA 0.368 4.708 4.340 0.001 0.000 0.282 79 Q C -0.435 175.597 176.000 0.052 0.000 1.044 79 Q CA -0.879 54.949 55.803 0.042 0.000 0.813 79 Q CB 2.282 31.052 28.738 0.054 0.000 1.428 79 Q HN 0.311 nan 8.270 nan 0.000 0.402 80 R N 0.970 121.495 120.500 0.042 0.000 2.594 80 R HA 0.124 4.465 4.340 0.001 0.000 0.272 80 R C 0.066 176.410 176.300 0.074 0.000 1.074 80 R CA -0.258 55.875 56.100 0.055 0.000 1.105 80 R CB 0.444 30.763 30.300 0.032 0.000 1.008 80 R HN 0.494 nan 8.270 nan 0.000 0.472 81 H N 1.769 120.843 119.070 0.006 0.000 2.562 81 H HA 0.171 4.727 4.556 0.001 0.000 0.352 81 H C -0.932 174.332 175.328 -0.107 0.000 1.125 81 H CA -0.272 55.760 56.048 -0.025 0.000 1.379 81 H CB 1.067 30.844 29.762 0.026 0.000 1.464 81 H HN 0.133 nan 8.280 nan 0.000 0.563 82 V N 5.781 125.241 119.914 -0.757 0.000 2.370 82 V HA 0.100 4.221 4.120 0.001 0.000 0.283 82 V C -0.065 175.756 176.094 -0.456 0.000 1.023 82 V CA -0.897 61.008 62.300 -0.658 0.000 0.857 82 V CB 1.215 32.456 31.823 -0.969 0.000 0.985 82 V HN 0.732 nan 8.190 nan 0.000 0.443 83 N N 4.174 122.811 118.700 -0.105 0.000 2.546 83 N HA 0.234 4.975 4.740 0.001 0.000 0.238 83 N C -1.133 174.508 175.510 0.218 0.000 0.984 83 N CA -0.272 52.897 53.050 0.197 0.000 0.935 83 N CB 1.459 40.131 38.487 0.308 0.000 1.122 83 N HN 0.712 nan 8.380 nan 0.000 0.510 84 Y N 3.467 123.849 120.300 0.135 0.000 2.504 84 Y HA 0.385 4.936 4.550 0.001 0.000 0.339 84 Y C -0.053 176.061 175.900 0.356 0.000 0.974 84 Y CA -0.700 57.515 58.100 0.191 0.000 1.232 84 Y CB 0.325 38.867 38.460 0.137 0.000 1.108 84 Y HN 0.362 nan 8.280 nan 0.000 0.509 85 I N 5.311 125.894 120.570 0.021 0.000 2.301 85 I HA 0.258 4.429 4.170 0.001 0.000 0.292 85 I C 0.071 176.193 176.117 0.008 0.000 1.046 85 I CA -0.248 61.150 61.300 0.163 0.000 1.282 85 I CB 0.755 38.858 38.000 0.172 0.000 1.409 85 I HN 0.462 nan 8.210 nan 0.000 0.484 86 S N 5.180 120.926 115.700 0.077 0.000 2.548 86 S HA 0.409 4.880 4.470 0.001 0.000 0.286 86 S C 0.408 175.022 174.600 0.024 0.000 1.098 86 S CA -0.764 57.386 58.200 -0.084 0.000 0.930 86 S CB 1.932 64.863 63.200 -0.449 0.000 1.070 86 S HN 0.689 nan 8.310 nan 0.000 0.480 87 M N 2.700 122.318 119.600 0.030 0.000 2.394 87 M HA 0.173 4.653 4.480 0.001 0.000 0.264 87 M C 0.085 176.392 176.300 0.012 0.000 1.073 87 M CA 1.183 56.495 55.300 0.021 0.000 1.111 87 M CB -0.098 32.392 32.600 -0.182 0.000 1.401 87 M HN 0.760 nan 8.290 nan 0.000 0.448 88 E N -1.188 118.964 120.200 -0.081 0.000 2.308 88 E HA 0.388 4.739 4.350 0.001 0.000 0.275 88 E C -1.399 175.126 176.600 -0.125 0.000 0.890 88 E CA -0.644 55.733 56.400 -0.040 0.000 0.754 88 E CB 0.938 30.556 29.700 -0.136 0.000 1.207 88 E HN 0.100 nan 8.360 nan 0.000 0.426 89 F N 2.373 122.336 119.950 0.022 0.000 2.691 89 F HA 0.247 4.775 4.527 0.001 0.000 0.371 89 F C -0.586 175.180 175.800 -0.056 0.000 1.159 89 F CA -0.889 57.112 58.000 0.001 0.000 1.174 89 F CB 1.446 40.444 39.000 -0.004 0.000 1.419 89 F HN 0.448 nan 8.300 nan 0.000 0.514 90 L N 5.671 126.942 121.223 0.081 0.000 2.400 90 L HA 0.188 4.529 4.340 0.001 0.000 0.262 90 L C 1.321 178.195 176.870 0.007 0.000 1.309 90 L CA 0.551 55.398 54.840 0.012 0.000 1.186 90 L CB -0.698 41.367 42.059 0.009 0.000 1.375 90 L HN 0.642 nan 8.230 nan 0.000 0.433 91 I N 0.030 120.575 120.570 -0.042 0.000 2.406 91 I HA 0.323 4.494 4.170 0.001 0.000 0.249 91 I C 1.307 177.353 176.117 -0.118 0.000 1.122 91 I CA 0.499 61.754 61.300 -0.074 0.000 1.431 91 I CB -0.872 37.049 38.000 -0.132 0.000 1.087 91 I HN 0.576 nan 8.210 nan 0.000 0.424 92 G N 1.663 110.377 108.800 -0.143 0.000 2.782 92 G HA2 -0.229 3.731 3.960 0.001 0.000 0.228 92 G HA3 -0.229 3.731 3.960 0.001 0.000 0.228 92 G C -0.414 174.412 174.900 -0.123 0.000 1.372 92 G CA -0.331 44.685 45.100 -0.140 0.000 0.862 92 G HN 0.586 nan 8.290 nan 0.000 0.547 93 R N -0.650 119.805 120.500 -0.074 0.000 2.570 93 R HA 0.340 4.681 4.340 0.001 0.000 0.277 93 R C 0.918 177.228 176.300 0.017 0.000 1.039 93 R CA -0.371 55.750 56.100 0.035 0.000 1.065 93 R CB 0.386 30.723 30.300 0.061 0.000 0.964 93 R HN 0.318 nan 8.270 nan 0.000 0.428 94 L N 1.970 123.254 121.223 0.103 0.000 2.470 94 L HA 0.026 4.367 4.340 0.001 0.000 0.219 94 L C 1.882 178.664 176.870 -0.147 0.000 1.071 94 L CA 1.426 56.185 54.840 -0.135 0.000 0.850 94 L CB -0.145 41.732 42.059 -0.303 0.000 1.040 94 L HN 0.715 nan 8.230 nan 0.000 0.475 95 T N -0.680 114.034 114.554 0.266 0.000 2.614 95 T HA -0.147 4.203 4.350 0.001 0.000 0.263 95 T C 1.810 176.681 174.700 0.287 0.000 1.055 95 T CA 1.573 63.978 62.100 0.508 0.000 1.162 95 T CB -0.802 68.528 68.868 0.770 0.000 0.863 95 T HN 0.441 nan 8.240 nan 0.000 0.414 96 G N 1.372 110.328 108.800 0.260 0.000 2.446 96 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 96 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 96 G C 1.501 176.440 174.900 0.065 0.000 1.168 96 G CA 1.362 46.590 45.100 0.212 0.000 0.771 96 G HN 0.579 nan 8.290 nan 0.000 0.551 97 N N 1.001 119.677 118.700 -0.040 0.000 2.149 97 N HA -0.142 4.599 4.740 0.001 0.000 0.188 97 N C 1.995 177.418 175.510 -0.145 0.000 1.019 97 N CA 1.747 54.726 53.050 -0.118 0.000 0.857 97 N CB -0.217 38.164 38.487 -0.176 0.000 0.997 97 N HN 0.227 nan 8.380 nan 0.000 0.426 98 N N 0.177 118.751 118.700 -0.210 0.000 2.084 98 N HA -0.082 4.659 4.740 0.001 0.000 0.190 98 N C 1.622 177.034 175.510 -0.164 0.000 1.030 98 N CA 0.959 53.836 53.050 -0.287 0.000 0.849 98 N CB -0.441 37.703 38.487 -0.572 0.000 1.012 98 N HN 0.311 nan 8.380 nan 0.000 0.423 99 L N 0.279 121.501 121.223 -0.003 0.000 2.017 99 L HA -0.117 4.223 4.340 0.001 0.000 0.208 99 L C 2.315 179.203 176.870 0.029 0.000 1.073 99 L CA 0.802 55.688 54.840 0.075 0.000 0.745 99 L CB -0.505 41.715 42.059 0.267 0.000 0.894 99 L HN 0.140 nan 8.230 nan 0.000 0.432 100 L N -0.214 121.023 121.223 0.023 0.000 2.083 100 L HA -0.202 4.139 4.340 0.001 0.000 0.209 100 L C 2.355 179.209 176.870 -0.026 0.000 1.083 100 L CA 1.502 56.338 54.840 -0.007 0.000 0.752 100 L CB -0.375 41.660 42.059 -0.039 0.000 0.899 100 L HN 0.322 nan 8.230 nan 0.000 0.433 101 N N -0.510 118.146 118.700 -0.074 0.000 2.300 101 N HA -0.093 4.648 4.740 0.001 0.000 0.179 101 N C 1.820 177.153 175.510 -0.295 0.000 1.016 101 N CA 1.193 54.173 53.050 -0.117 0.000 0.876 101 N CB -0.012 38.426 38.487 -0.081 0.000 0.979 101 N HN 0.412 nan 8.380 nan 0.000 0.432 102 L N 0.067 121.078 121.223 -0.352 0.000 2.313 102 L HA 0.034 4.375 4.340 0.001 0.000 0.214 102 L C 1.304 177.987 176.870 -0.312 0.000 1.119 102 L CA 0.587 55.101 54.840 -0.543 0.000 0.809 102 L CB -0.338 41.028 42.059 -1.155 0.000 0.933 102 L HN 0.227 nan 8.230 nan 0.000 0.449 103 G N -1.624 107.091 108.800 -0.140 0.000 2.136 103 G HA2 -0.244 3.717 3.960 0.001 0.000 0.242 103 G HA3 -0.244 3.717 3.960 0.001 0.000 0.242 103 G C 0.112 175.172 174.900 0.266 0.000 0.989 103 G CA 0.092 45.215 45.100 0.038 0.000 0.682 103 G HN 0.338 nan 8.290 nan 0.000 0.522 104 W N -0.871 120.401 121.300 -0.047 0.000 3.220 104 W HA 0.396 5.057 4.660 0.001 0.000 0.328 104 W C 1.693 178.075 176.519 -0.229 0.000 1.205 104 W CA -0.628 56.613 57.345 -0.174 0.000 1.773 104 W CB -0.976 28.396 29.460 -0.146 0.000 1.086 104 W HN 0.354 nan 8.180 nan 0.000 0.622 105 Y N 1.955 122.266 120.300 0.017 0.000 2.014 105 Y HA -0.396 4.154 4.550 0.001 0.000 0.272 105 Y C 2.796 178.633 175.900 -0.104 0.000 1.164 105 Y CA 3.096 61.173 58.100 -0.038 0.000 1.114 105 Y CB -0.622 37.832 38.460 -0.010 0.000 0.961 105 Y HN -0.024 nan 8.280 nan 0.000 0.489 106 Q N -0.126 119.730 119.800 0.094 0.000 2.096 106 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 106 Q C 1.800 177.674 176.000 -0.210 0.000 0.982 106 Q CA 1.860 57.643 55.803 -0.034 0.000 0.850 106 Q CB -0.233 28.532 28.738 0.046 0.000 0.901 106 Q HN 0.585 nan 8.270 nan 0.000 0.422 107 D N -0.248 119.971 120.400 -0.301 0.000 2.108 107 D HA -0.185 4.455 4.640 0.001 0.000 0.190 107 D C 1.989 177.801 176.300 -0.812 0.000 0.995 107 D CA 1.665 55.333 54.000 -0.554 0.000 0.834 107 D CB -0.337 39.950 40.800 -0.855 0.000 0.967 107 D HN 0.146 nan 8.370 nan 0.000 0.446 108 V N 0.954 120.231 119.914 -1.062 0.000 2.332 108 V HA -0.276 3.844 4.120 0.001 0.000 0.248 108 V C 2.656 178.469 176.094 -0.468 0.000 1.055 108 V CA 1.871 63.641 62.300 -0.884 0.000 1.038 108 V CB -0.591 30.844 31.823 -0.646 0.000 0.651 108 V HN 0.242 nan 8.190 nan 0.000 0.450 109 Q N -0.558 118.979 119.800 -0.439 0.000 2.135 109 Q HA -0.257 4.084 4.340 0.001 0.000 0.204 109 Q C 1.937 177.833 176.000 -0.173 0.000 0.981 109 Q CA 2.076 57.686 55.803 -0.322 0.000 0.856 109 Q CB -0.069 28.450 28.738 -0.365 0.000 0.902 109 Q HN 0.664 nan 8.270 nan 0.000 0.425 110 D N -0.584 119.717 120.400 -0.166 0.000 2.077 110 D HA -0.137 4.504 4.640 0.001 0.000 0.196 110 D C 1.875 178.159 176.300 -0.027 0.000 0.986 110 D CA 1.492 55.444 54.000 -0.080 0.000 0.829 110 D CB -0.607 40.151 40.800 -0.072 0.000 0.983 110 D HN 0.149 nan 8.370 nan 0.000 0.453 111 S N -0.318 115.372 115.700 -0.018 0.000 2.420 111 S HA -0.111 4.359 4.470 0.001 0.000 0.237 111 S C 1.903 176.671 174.600 0.279 0.000 1.023 111 S CA 0.681 58.966 58.200 0.141 0.000 0.991 111 S CB -0.239 63.078 63.200 0.196 0.000 0.792 111 S HN 0.201 nan 8.310 nan 0.000 0.488 112 L N 0.116 121.451 121.223 0.186 0.000 2.492 112 L HA 0.152 4.493 4.340 0.001 0.000 0.223 112 L C 2.290 179.258 176.870 0.164 0.000 1.132 112 L CA 0.461 55.456 54.840 0.260 0.000 0.850 112 L CB -0.210 41.895 42.059 0.077 0.000 0.966 112 L HN 0.139 nan 8.230 nan 0.000 0.454 113 K N 0.439 120.881 120.400 0.070 0.000 2.432 113 K HA 0.060 4.381 4.320 0.001 0.000 0.196 113 K C 1.900 178.502 176.600 0.003 0.000 1.038 113 K CA 0.794 57.091 56.287 0.016 0.000 0.986 113 K CB 0.049 32.543 32.500 -0.009 0.000 0.782 113 K HN 0.191 nan 8.250 nan 0.000 0.485 114 A N -0.452 122.360 122.820 -0.014 0.000 2.119 114 A HA -0.091 4.230 4.320 0.001 0.000 0.217 114 A C 1.065 178.493 177.584 -0.262 0.000 1.153 114 A CA 0.839 52.777 52.037 -0.166 0.000 0.692 114 A CB -0.304 18.516 19.000 -0.301 0.000 0.799 114 A HN 0.253 nan 8.150 nan 0.000 0.458 115 Y N 0.027 120.357 120.300 0.050 0.000 2.485 115 Y HA 0.164 4.715 4.550 0.001 0.000 0.260 115 Y C -0.130 175.739 175.900 -0.053 0.000 1.173 115 Y CA -0.580 57.556 58.100 0.060 0.000 1.252 115 Y CB 0.243 38.807 38.460 0.172 0.000 1.123 115 Y HN 0.296 nan 8.280 nan 0.000 0.524 116 D N 0.865 121.290 120.400 0.042 0.000 2.699 116 D HA -0.167 4.474 4.640 0.001 0.000 0.239 116 D C -0.759 175.478 176.300 -0.105 0.000 1.136 116 D CA 0.669 54.656 54.000 -0.023 0.000 0.668 116 D CB -0.978 39.817 40.800 -0.009 0.000 1.060 116 D HN 0.179 nan 8.370 nan 0.000 0.429 117 I N 1.120 121.596 120.570 -0.157 0.000 2.418 117 I HA 0.152 4.322 4.170 0.001 0.000 0.287 117 I C 0.728 176.748 176.117 -0.163 0.000 1.008 117 I CA -0.617 60.507 61.300 -0.293 0.000 1.104 117 I CB 1.654 39.274 38.000 -0.634 0.000 1.264 117 I HN -0.048 nan 8.210 nan 0.000 0.438 118 N N 5.649 124.273 118.700 -0.126 0.000 2.401 118 N HA 0.011 4.752 4.740 0.001 0.000 0.255 118 N C 1.002 176.479 175.510 -0.055 0.000 1.110 118 N CA -0.300 52.710 53.050 -0.066 0.000 0.949 118 N CB 1.163 39.630 38.487 -0.033 0.000 1.110 118 N HN 0.546 nan 8.380 nan 0.000 0.490 119 L N 5.017 126.199 121.223 -0.069 0.000 2.012 119 L HA -0.168 4.173 4.340 0.001 0.000 0.210 119 L C 1.977 178.869 176.870 0.038 0.000 1.073 119 L CA 1.999 56.800 54.840 -0.066 0.000 0.748 119 L CB -1.101 40.810 42.059 -0.247 0.000 0.891 119 L HN 0.563 nan 8.230 nan 0.000 0.431 120 T N 0.078 114.677 114.554 0.076 0.000 2.570 120 T HA -0.245 4.106 4.350 0.001 0.000 0.266 120 T C 1.481 176.243 174.700 0.102 0.000 1.071 120 T CA 1.940 64.119 62.100 0.132 0.000 1.172 120 T CB -0.571 68.367 68.868 0.116 0.000 0.864 120 T HN 0.467 nan 8.240 nan 0.000 0.421 121 D N 0.975 121.416 120.400 0.067 0.000 2.149 121 D HA -0.066 4.575 4.640 0.001 0.000 0.198 121 D C 2.075 178.423 176.300 0.079 0.000 0.990 121 D CA 0.573 54.608 54.000 0.059 0.000 0.839 121 D CB -0.644 40.176 40.800 0.033 0.000 0.948 121 D HN 0.312 nan 8.370 nan 0.000 0.460 122 L N 0.286 121.567 121.223 0.096 0.000 2.046 122 L HA -0.155 4.186 4.340 0.001 0.000 0.208 122 L C 2.227 179.254 176.870 0.261 0.000 1.077 122 L CA 1.078 56.032 54.840 0.190 0.000 0.747 122 L CB -0.200 41.975 42.059 0.193 0.000 0.896 122 L HN -0.009 nan 8.230 nan 0.000 0.432 123 L N -0.142 121.224 121.223 0.239 0.000 2.127 123 L HA -0.206 4.134 4.340 0.001 0.000 0.211 123 L C 2.487 179.395 176.870 0.064 0.000 1.089 123 L CA 1.105 56.097 54.840 0.254 0.000 0.757 123 L CB -0.702 41.511 42.059 0.257 0.000 0.899 123 L HN 0.357 nan 8.230 nan 0.000 0.434 124 E N -0.010 120.213 120.200 0.038 0.000 2.472 124 E HA -0.166 4.185 4.350 0.001 0.000 0.200 124 E C 1.649 178.199 176.600 -0.084 0.000 1.046 124 E CA 0.491 56.885 56.400 -0.009 0.000 0.871 124 E CB -0.038 29.684 29.700 0.037 0.000 0.806 124 E HN 0.527 nan 8.360 nan 0.000 0.533 125 E N 0.939 121.039 120.200 -0.167 0.000 2.274 125 E HA -0.070 4.281 4.350 0.001 0.000 0.194 125 E C 0.602 176.841 176.600 -0.602 0.000 0.996 125 E CA 0.229 56.475 56.400 -0.257 0.000 0.840 125 E CB -0.037 29.608 29.700 -0.092 0.000 0.772 125 E HN 0.361 nan 8.360 nan 0.000 0.491 126 E N 1.090 120.737 120.200 -0.921 0.000 2.299 126 E HA 0.106 4.457 4.350 0.001 0.000 0.272 126 E C -0.464 175.976 176.600 -0.266 0.000 1.043 126 E CA -0.144 55.726 56.400 -0.883 0.000 0.895 126 E CB 0.381 29.758 29.700 -0.539 0.000 1.011 126 E HN -0.009 nan 8.360 nan 0.000 0.432 127 I N 4.479 124.991 120.570 -0.096 0.000 2.304 127 I HA 0.098 4.268 4.170 0.001 0.000 0.291 127 I C -0.204 175.954 176.117 0.070 0.000 1.018 127 I CA -0.892 60.431 61.300 0.039 0.000 1.260 127 I CB 0.903 38.983 38.000 0.135 0.000 1.390 127 I HN 0.446 nan 8.210 nan 0.000 0.475 128 D N 9.036 129.426 120.400 -0.016 0.000 2.662 128 D HA -0.019 4.622 4.640 0.001 0.000 0.233 128 D C -2.227 173.899 176.300 -0.290 0.000 1.129 128 D CA -0.286 53.647 54.000 -0.111 0.000 0.851 128 D CB 0.119 40.839 40.800 -0.134 0.000 1.152 128 D HN 0.250 nan 8.370 nan 0.000 0.507 129 P HA 0.058 nan 4.420 nan 0.000 0.258 129 P C -0.629 175.934 177.300 -1.227 0.000 1.187 129 P CA -0.044 62.148 63.100 -1.513 0.000 0.767 129 P CB 0.435 31.202 31.700 -1.555 0.000 0.770 130 A N 4.736 126.728 122.820 -1.381 0.000 3.063 130 A HA 0.153 4.474 4.320 0.001 0.000 0.263 130 A C 0.489 177.874 177.584 -0.332 0.000 1.736 130 A CA 0.141 51.829 52.037 -0.581 0.000 1.408 130 A CB -1.015 17.839 19.000 -0.243 0.000 1.108 130 A HN 0.390 nan 8.150 nan 0.000 0.621 131 L N 0.166 121.210 121.223 -0.298 0.000 2.857 131 L HA 0.343 4.684 4.340 0.001 0.000 0.249 131 L C 1.003 177.934 176.870 0.102 0.000 1.172 131 L CA 0.531 55.381 54.840 0.016 0.000 0.980 131 L CB -0.549 41.442 42.059 -0.113 0.000 1.299 131 L HN 0.568 nan 8.230 nan 0.000 0.535 132 G N -0.994 107.792 108.800 -0.023 0.000 2.827 132 G HA2 0.348 4.308 3.960 0.001 0.000 0.296 132 G HA3 0.348 4.308 3.960 0.001 0.000 0.296 132 G C 0.062 174.918 174.900 -0.073 0.000 1.362 132 G CA 0.040 45.119 45.100 -0.036 0.000 0.809 132 G HN 0.014 nan 8.290 nan 0.000 0.522 133 N N -2.395 116.285 118.700 -0.033 0.000 2.357 133 N HA 0.301 5.042 4.740 0.001 0.000 0.260 133 N C 0.764 176.302 175.510 0.046 0.000 1.035 133 N CA 0.952 54.007 53.050 0.008 0.000 0.839 133 N CB 0.984 39.527 38.487 0.093 0.000 1.723 133 N HN 0.872 nan 8.380 nan 0.000 0.617 134 G N -0.364 108.472 108.800 0.060 0.000 2.635 134 G HA2 0.337 4.298 3.960 0.001 0.000 0.194 134 G HA3 0.337 4.298 3.960 0.001 0.000 0.194 134 G C 0.622 175.543 174.900 0.034 0.000 1.198 134 G CA 0.202 45.343 45.100 0.068 0.000 0.972 134 G HN 0.238 nan 8.290 nan 0.000 0.520 135 G N 0.324 109.137 108.800 0.023 0.000 2.808 135 G HA2 -0.290 3.671 3.960 0.001 0.000 0.225 135 G HA3 -0.290 3.671 3.960 0.001 0.000 0.225 135 G C 1.868 176.735 174.900 -0.055 0.000 1.210 135 G CA 2.077 47.167 45.100 -0.017 0.000 0.777 135 G HN 0.908 nan 8.290 nan 0.000 0.640 136 L N 1.341 122.523 121.223 -0.068 0.000 1.990 136 L HA 0.019 4.360 4.340 0.001 0.000 0.213 136 L C 2.975 179.778 176.870 -0.112 0.000 1.072 136 L CA 2.818 57.574 54.840 -0.140 0.000 0.755 136 L CB -0.868 41.124 42.059 -0.113 0.000 0.889 136 L HN 0.265 nan 8.230 nan 0.000 0.432 137 G N -1.880 106.878 108.800 -0.071 0.000 2.421 137 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 137 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 137 G C 1.708 176.574 174.900 -0.057 0.000 1.143 137 G CA 0.617 45.661 45.100 -0.094 0.000 0.784 137 G HN 0.263 nan 8.290 nan 0.000 0.541 138 R N 0.135 120.620 120.500 -0.024 0.000 2.075 138 R HA 0.152 4.493 4.340 0.001 0.000 0.226 138 R C 2.327 178.610 176.300 -0.029 0.000 1.114 138 R CA 0.772 56.890 56.100 0.030 0.000 0.972 138 R CB -1.037 29.306 30.300 0.072 0.000 0.869 138 R HN 0.310 nan 8.270 nan 0.000 0.437 139 L N 0.396 121.537 121.223 -0.136 0.000 2.012 139 L HA -0.057 4.283 4.340 0.001 0.000 0.210 139 L C 2.061 178.619 176.870 -0.520 0.000 1.073 139 L CA 2.373 56.999 54.840 -0.357 0.000 0.748 139 L CB -0.878 40.962 42.059 -0.364 0.000 0.891 139 L HN 0.243 nan 8.230 nan 0.000 0.431 140 A N -0.776 121.882 122.820 -0.270 0.000 1.972 140 A HA -0.063 4.257 4.320 0.001 0.000 0.219 140 A C 2.400 179.997 177.584 0.021 0.000 1.169 140 A CA 1.681 53.629 52.037 -0.148 0.000 0.635 140 A CB -1.020 17.871 19.000 -0.183 0.000 0.810 140 A HN 0.602 nan 8.150 nan 0.000 0.446 141 A N -1.050 121.817 122.820 0.077 0.000 1.872 141 A HA -0.103 4.218 4.320 0.001 0.000 0.214 141 A C 2.281 179.929 177.584 0.106 0.000 1.187 141 A CA 1.470 53.606 52.037 0.165 0.000 0.614 141 A CB -1.237 17.838 19.000 0.126 0.000 0.826 141 A HN 0.568 nan 8.150 nan 0.000 0.442 142 C N -1.253 118.101 119.300 0.090 0.000 2.413 142 C HA -0.097 4.364 4.460 0.001 0.000 0.276 142 C C 2.415 177.562 174.990 0.261 0.000 1.248 142 C CA 0.707 59.821 59.018 0.160 0.000 1.742 142 C CB -1.612 26.242 27.740 0.190 0.000 2.017 142 C HN 0.600 nan 8.230 nan 0.000 0.481 143 F N 0.060 120.014 119.950 0.007 0.000 2.234 143 F HA -0.009 4.519 4.527 0.001 0.000 0.299 143 F C 2.074 177.823 175.800 -0.085 0.000 1.087 143 F CA 0.798 58.765 58.000 -0.055 0.000 1.340 143 F CB -1.217 37.657 39.000 -0.209 0.000 1.031 143 F HN 0.115 nan 8.300 nan 0.000 0.500 144 L N 0.297 121.592 121.223 0.120 0.000 2.141 144 L HA -0.167 4.174 4.340 0.001 0.000 0.209 144 L C 2.300 179.180 176.870 0.016 0.000 1.094 144 L CA 1.648 56.511 54.840 0.038 0.000 0.763 144 L CB -0.888 41.213 42.059 0.071 0.000 0.908 144 L HN 0.143 nan 8.230 nan 0.000 0.437 145 D N -1.556 118.869 120.400 0.042 0.000 2.085 145 D HA -0.159 4.482 4.640 0.001 0.000 0.199 145 D C 1.890 178.206 176.300 0.026 0.000 0.981 145 D CA 1.442 55.450 54.000 0.012 0.000 0.834 145 D CB 0.344 41.150 40.800 0.010 0.000 0.992 145 D HN 0.273 nan 8.370 nan 0.000 0.457 146 S N 0.422 116.164 115.700 0.069 0.000 2.369 146 S HA -0.217 4.254 4.470 0.001 0.000 0.225 146 S C 2.209 176.832 174.600 0.037 0.000 1.043 146 S CA 1.533 59.771 58.200 0.064 0.000 1.074 146 S CB -0.396 62.865 63.200 0.102 0.000 0.962 146 S HN 0.355 nan 8.310 nan 0.000 0.433 147 M N 0.826 120.444 119.600 0.030 0.000 2.089 147 M HA -0.270 4.211 4.480 0.001 0.000 0.257 147 M C 2.431 178.721 176.300 -0.017 0.000 1.071 147 M CA 1.831 57.133 55.300 0.003 0.000 1.096 147 M CB -0.662 31.912 32.600 -0.045 0.000 1.330 147 M HN 0.457 nan 8.290 nan 0.000 0.403 148 A N -0.554 122.250 122.820 -0.027 0.000 1.877 148 A HA -0.165 4.156 4.320 0.001 0.000 0.216 148 A C 2.132 179.701 177.584 -0.024 0.000 1.186 148 A CA 2.339 54.354 52.037 -0.037 0.000 0.620 148 A CB -1.157 17.813 19.000 -0.050 0.000 0.822 148 A HN 0.491 nan 8.150 nan 0.000 0.443 149 T N -1.003 113.550 114.554 -0.002 0.000 2.821 149 T HA -0.054 4.296 4.350 0.001 0.000 0.267 149 T C 1.657 176.367 174.700 0.016 0.000 1.046 149 T CA 1.472 63.584 62.100 0.020 0.000 1.139 149 T CB -0.147 68.745 68.868 0.041 0.000 0.871 149 T HN 0.110 nan 8.240 nan 0.000 0.454 150 V N 0.131 120.054 119.914 0.015 0.000 3.406 150 V HA 0.284 4.404 4.120 0.001 0.000 0.263 150 V C 1.841 177.942 176.094 0.012 0.000 1.172 150 V CA 1.028 63.340 62.300 0.019 0.000 1.140 150 V CB -0.262 31.581 31.823 0.033 0.000 0.784 150 V HN 0.707 nan 8.190 nan 0.000 0.467 151 G N 0.540 109.339 108.800 -0.003 0.000 2.141 151 G HA2 -0.265 3.696 3.960 0.001 0.000 0.242 151 G HA3 -0.265 3.696 3.960 0.001 0.000 0.242 151 G C 0.179 175.078 174.900 -0.002 0.000 0.982 151 G CA 0.315 45.408 45.100 -0.011 0.000 0.662 151 G HN 0.533 nan 8.290 nan 0.000 0.527 152 Q N 1.798 121.598 119.800 -0.000 0.000 2.293 152 Q HA 0.548 4.889 4.340 0.001 0.000 0.263 152 Q C 0.708 176.668 176.000 -0.067 0.000 1.002 152 Q CA 0.383 56.177 55.803 -0.016 0.000 0.910 152 Q CB 0.660 29.397 28.738 -0.003 0.000 1.185 152 Q HN 0.820 nan 8.270 nan 0.000 0.401 153 S N 2.647 118.315 115.700 -0.054 0.000 2.523 153 S HA 0.820 5.291 4.470 0.001 0.000 0.275 153 S C -0.484 173.929 174.600 -0.312 0.000 1.281 153 S CA -0.235 57.945 58.200 -0.034 0.000 1.050 153 S CB 1.165 64.463 63.200 0.163 0.000 0.937 153 S HN 0.765 nan 8.310 nan 0.000 0.492 154 A N 2.882 125.508 122.820 -0.323 0.000 2.594 154 A HA 0.746 5.066 4.320 0.001 0.000 0.295 154 A C -0.404 177.038 177.584 -0.237 0.000 1.071 154 A CA -0.904 50.820 52.037 -0.521 0.000 0.685 154 A CB 1.503 20.295 19.000 -0.346 0.000 1.285 154 A HN 0.753 nan 8.150 nan 0.000 0.405 155 T N 1.177 115.613 114.554 -0.197 0.000 2.779 155 T HA 0.601 4.952 4.350 0.001 0.000 0.280 155 T C 0.363 174.917 174.700 -0.242 0.000 0.987 155 T CA 0.094 62.073 62.100 -0.201 0.000 0.966 155 T CB 1.566 70.273 68.868 -0.269 0.000 0.933 155 T HN 1.153 nan 8.240 nan 0.000 0.442 156 G N 2.189 110.822 108.800 -0.278 0.000 2.333 156 G HA2 0.499 4.459 3.960 0.001 0.000 0.290 156 G HA3 0.499 4.459 3.960 0.001 0.000 0.290 156 G C -1.205 173.536 174.900 -0.265 0.000 1.150 156 G CA -0.240 44.790 45.100 -0.117 0.000 0.895 156 G HN 0.621 nan 8.290 nan 0.000 0.444 157 Y N 1.459 121.923 120.300 0.273 0.000 2.335 157 Y HA 0.634 5.185 4.550 0.001 0.000 0.338 157 Y C 0.851 176.999 175.900 0.413 0.000 0.977 157 Y CA 0.063 58.310 58.100 0.245 0.000 1.114 157 Y CB 2.432 41.089 38.460 0.329 0.000 1.182 157 Y HN 0.806 nan 8.280 nan 0.000 0.463 158 G N 2.191 111.243 108.800 0.419 0.000 2.706 158 G HA2 0.687 4.648 3.960 0.001 0.000 0.307 158 G HA3 0.687 4.648 3.960 0.001 0.000 0.307 158 G C -2.075 172.962 174.900 0.230 0.000 1.307 158 G CA -0.995 44.353 45.100 0.413 0.000 0.790 158 G HN 0.434 nan 8.290 nan 0.000 0.503 159 L N 0.367 121.603 121.223 0.021 0.000 2.362 159 L HA 0.412 4.752 4.340 0.001 0.000 0.271 159 L C -0.395 176.287 176.870 -0.313 0.000 1.002 159 L CA -1.061 53.707 54.840 -0.121 0.000 0.818 159 L CB 2.199 44.083 42.059 -0.291 0.000 1.298 159 L HN 0.411 nan 8.230 nan 0.000 0.420 160 N N 1.968 120.633 118.700 -0.058 0.000 2.892 160 N HA 0.023 4.764 4.740 0.001 0.000 0.300 160 N C -0.960 174.591 175.510 0.068 0.000 1.211 160 N CA -0.028 53.045 53.050 0.039 0.000 1.158 160 N CB -0.386 38.096 38.487 -0.008 0.000 1.455 160 N HN 0.205 nan 8.380 nan 0.000 0.524 161 Y N 0.739 121.175 120.300 0.227 0.000 2.650 161 Y HA -0.039 4.512 4.550 0.001 0.000 0.331 161 Y C 1.825 177.864 175.900 0.232 0.000 1.165 161 Y CA 0.072 58.283 58.100 0.185 0.000 1.473 161 Y CB 0.491 39.033 38.460 0.136 0.000 1.224 161 Y HN 0.450 nan 8.280 nan 0.000 0.533 162 Q N 2.211 122.103 119.800 0.152 0.000 2.230 162 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 162 Q C 0.009 175.804 176.000 -0.341 0.000 0.963 162 Q CA 1.536 57.185 55.803 -0.256 0.000 0.866 162 Q CB 0.132 28.533 28.738 -0.561 0.000 0.931 162 Q HN 0.887 nan 8.270 nan 0.000 0.452 163 Y N -1.702 118.755 120.300 0.261 0.000 2.563 163 Y HA 0.340 4.891 4.550 0.001 0.000 0.250 163 Y C 1.052 177.049 175.900 0.161 0.000 1.126 163 Y CA 0.066 58.288 58.100 0.204 0.000 1.231 163 Y CB 0.886 39.418 38.460 0.119 0.000 1.288 163 Y HN 0.229 nan 8.280 nan 0.000 0.537 164 G N 1.075 110.016 108.800 0.236 0.000 2.550 164 G HA2 -0.326 3.634 3.960 0.001 0.000 0.277 164 G HA3 -0.326 3.634 3.960 0.001 0.000 0.277 164 G C 0.794 175.689 174.900 -0.009 0.000 1.190 164 G CA 0.415 45.544 45.100 0.049 0.000 0.971 164 G HN 0.246 nan 8.290 nan 0.000 0.559 165 L N -0.557 120.652 121.223 -0.024 0.000 2.130 165 L HA 0.539 4.879 4.340 0.001 0.000 0.200 165 L C 1.079 178.083 176.870 0.223 0.000 1.075 165 L CA 2.174 57.037 54.840 0.039 0.000 0.768 165 L CB -0.178 41.860 42.059 -0.034 0.000 0.933 165 L HN 1.210 nan 8.230 nan 0.000 0.451 166 F N -1.714 118.259 119.950 0.038 0.000 2.822 166 F HA 0.278 4.806 4.527 0.001 0.000 0.323 166 F C -0.847 174.966 175.800 0.021 0.000 1.133 166 F CA -1.484 56.535 58.000 0.031 0.000 0.941 166 F CB 0.403 39.414 39.000 0.018 0.000 1.263 166 F HN -0.136 nan 8.300 nan 0.000 0.451 167 R N 3.313 123.950 120.500 0.227 0.000 2.196 167 R HA 0.373 4.714 4.340 0.001 0.000 0.340 167 R C -0.488 175.935 176.300 0.205 0.000 1.043 167 R CA -0.336 55.826 56.100 0.103 0.000 0.883 167 R CB 0.995 31.347 30.300 0.087 0.000 1.078 167 R HN 0.885 nan 8.270 nan 0.000 0.462 168 Q N 2.656 122.485 119.800 0.049 0.000 2.340 168 Q HA 0.252 4.593 4.340 0.001 0.000 0.249 168 Q C -1.065 174.847 176.000 -0.146 0.000 0.957 168 Q CA -0.126 55.737 55.803 0.099 0.000 0.882 168 Q CB 1.051 29.768 28.738 -0.035 0.000 1.235 168 Q HN 0.857 nan 8.270 nan 0.000 0.439 169 S N 1.560 117.108 115.700 -0.253 0.000 2.607 169 S HA 0.672 5.143 4.470 0.001 0.000 0.273 169 S C -1.346 173.000 174.600 -0.423 0.000 1.148 169 S CA -0.845 57.145 58.200 -0.350 0.000 0.833 169 S CB 0.850 63.972 63.200 -0.129 0.000 1.130 169 S HN 0.404 nan 8.310 nan 0.000 0.470 170 F N 0.647 120.570 119.950 -0.046 0.000 2.477 170 F HA 0.649 5.177 4.527 0.001 0.000 0.335 170 F C -0.473 175.307 175.800 -0.034 0.000 1.130 170 F CA -1.294 56.665 58.000 -0.068 0.000 0.948 170 F CB 1.920 40.853 39.000 -0.111 0.000 1.154 170 F HN 0.417 nan 8.300 nan 0.000 0.439 171 V N 3.448 123.466 119.914 0.172 0.000 2.409 171 V HA 0.297 4.417 4.120 0.001 0.000 0.291 171 V C -0.649 175.502 176.094 0.094 0.000 1.020 171 V CA -1.061 61.295 62.300 0.094 0.000 0.848 171 V CB 1.432 33.282 31.823 0.045 0.000 0.990 171 V HN 0.753 nan 8.190 nan 0.000 0.430 172 D N 4.670 125.126 120.400 0.093 0.000 2.686 172 D HA -0.205 4.435 4.640 0.001 0.000 0.235 172 D C 1.344 177.762 176.300 0.198 0.000 1.160 172 D CA 1.641 55.711 54.000 0.117 0.000 0.645 172 D CB -1.022 39.837 40.800 0.099 0.000 1.039 172 D HN 1.333 nan 8.370 nan 0.000 0.423 173 G N -0.785 108.101 108.800 0.143 0.000 2.396 173 G HA2 -0.399 3.561 3.960 0.001 0.000 0.242 173 G HA3 -0.399 3.561 3.960 0.001 0.000 0.242 173 G C 0.459 175.413 174.900 0.090 0.000 1.069 173 G CA 0.964 46.129 45.100 0.109 0.000 0.633 173 G HN 0.554 nan 8.290 nan 0.000 0.517 174 K N 0.743 121.235 120.400 0.154 0.000 2.090 174 K HA 0.567 4.887 4.320 0.001 0.000 0.249 174 K C 0.310 177.005 176.600 0.159 0.000 0.995 174 K CA -0.526 55.796 56.287 0.057 0.000 0.914 174 K CB 1.026 33.447 32.500 -0.131 0.000 1.057 174 K HN 0.329 nan 8.250 nan 0.000 0.462 175 Q N 1.828 121.722 119.800 0.156 0.000 2.288 175 Q HA 0.255 4.595 4.340 0.001 0.000 0.258 175 Q C -0.977 175.039 176.000 0.026 0.000 0.957 175 Q CA -0.654 55.277 55.803 0.213 0.000 0.919 175 Q CB 1.190 30.027 28.738 0.165 0.000 1.185 175 Q HN 0.509 nan 8.270 nan 0.000 0.408 176 V N 2.037 121.946 119.914 -0.008 0.000 2.555 176 V HA 0.599 4.720 4.120 0.001 0.000 0.302 176 V C -1.331 174.683 176.094 -0.134 0.000 1.038 176 V CA -0.581 61.673 62.300 -0.076 0.000 0.887 176 V CB 1.884 33.681 31.823 -0.042 0.000 0.991 176 V HN 0.876 nan 8.190 nan 0.000 0.434 177 E N 4.196 124.254 120.200 -0.237 0.000 2.183 177 E HA 0.868 5.219 4.350 0.001 0.000 0.271 177 E C -0.307 176.255 176.600 -0.063 0.000 0.919 177 E CA -0.229 56.004 56.400 -0.279 0.000 0.781 177 E CB 2.004 31.230 29.700 -0.789 0.000 1.140 177 E HN 1.234 nan 8.360 nan 0.000 0.402 178 A N 3.047 125.915 122.820 0.079 0.000 2.539 178 A HA 0.717 5.037 4.320 0.001 0.000 0.296 178 A C -2.703 174.932 177.584 0.084 0.000 1.073 178 A CA -1.970 50.090 52.037 0.038 0.000 0.700 178 A CB 1.057 20.073 19.000 0.026 0.000 1.296 178 A HN 0.429 nan 8.150 nan 0.000 0.405 179 P HA 0.087 nan 4.420 nan 0.000 0.264 179 P C -0.865 176.524 177.300 0.149 0.000 1.183 179 P CA 0.425 63.525 63.100 0.001 0.000 0.763 179 P CB 0.415 31.915 31.700 -0.334 0.000 0.807 180 D N 2.193 122.746 120.400 0.254 0.000 2.563 180 D HA 0.049 4.689 4.640 0.001 0.000 0.222 180 D C -0.478 176.032 176.300 0.351 0.000 1.145 180 D CA -0.077 54.061 54.000 0.231 0.000 1.001 180 D CB -0.654 40.239 40.800 0.154 0.000 1.049 180 D HN 0.202 nan 8.370 nan 0.000 0.515 181 D N 2.114 122.691 120.400 0.296 0.000 2.344 181 D HA -0.031 4.610 4.640 0.001 0.000 0.253 181 D C 0.910 177.208 176.300 -0.002 0.000 1.255 181 D CA -0.534 53.568 54.000 0.171 0.000 0.894 181 D CB 0.276 41.151 40.800 0.126 0.000 1.067 181 D HN 0.388 nan 8.370 nan 0.000 0.492 182 W N 4.315 125.525 121.300 -0.151 0.000 3.239 182 W HA 0.194 4.855 4.660 0.001 0.000 0.368 182 W C -0.480 176.022 176.519 -0.027 0.000 1.154 182 W CA -0.421 56.860 57.345 -0.106 0.000 1.860 182 W CB -1.085 28.349 29.460 -0.043 0.000 1.094 182 W HN 0.454 nan 8.180 nan 0.000 0.643 183 H N 0.790 119.763 119.070 -0.162 0.000 2.819 183 H HA -0.183 4.374 4.556 0.001 0.000 0.315 183 H C 1.906 176.945 175.328 -0.482 0.000 1.242 183 H CA 1.203 57.126 56.048 -0.207 0.000 1.157 183 H CB -1.519 28.265 29.762 0.035 0.000 1.451 183 H HN 0.265 nan 8.280 nan 0.000 0.430 184 R N 1.297 121.169 120.500 -1.046 0.000 2.115 184 R HA -0.218 4.122 4.340 0.001 0.000 0.239 184 R C 2.029 177.971 176.300 -0.596 0.000 1.133 184 R CA 2.525 57.779 56.100 -1.410 0.000 0.935 184 R CB -0.274 29.257 30.300 -1.282 0.000 0.853 184 R HN 0.515 nan 8.270 nan 0.000 0.433 185 S N 0.787 116.203 115.700 -0.473 0.000 2.414 185 S HA -0.279 4.192 4.470 0.001 0.000 0.241 185 S C 1.337 175.862 174.600 -0.126 0.000 1.079 185 S CA 2.070 60.075 58.200 -0.325 0.000 1.087 185 S CB -0.923 62.169 63.200 -0.181 0.000 0.927 185 S HN 0.821 nan 8.310 nan 0.000 0.456 186 N N -1.413 117.294 118.700 0.012 0.000 2.238 186 N HA 0.116 4.856 4.740 0.001 0.000 0.235 186 N C -0.259 175.403 175.510 0.253 0.000 1.209 186 N CA -0.723 52.401 53.050 0.123 0.000 0.879 186 N CB -0.016 38.504 38.487 0.055 0.000 1.136 186 N HN 0.349 nan 8.380 nan 0.000 0.517 187 Y N 3.481 123.925 120.300 0.241 0.000 2.805 187 Y HA 0.058 4.609 4.550 0.001 0.000 0.331 187 Y C -1.275 174.812 175.900 0.311 0.000 1.241 187 Y CA -1.288 57.035 58.100 0.370 0.000 1.546 187 Y CB 0.843 39.573 38.460 0.450 0.000 1.248 187 Y HN 0.124 nan 8.280 nan 0.000 0.559 188 P HA -0.199 nan 4.420 nan 0.000 0.218 188 P C 0.490 177.583 177.300 -0.344 0.000 1.149 188 P CA 1.771 64.624 63.100 -0.412 0.000 0.817 188 P CB -0.074 31.148 31.700 -0.796 0.000 0.785 189 W N -1.740 119.335 121.300 -0.375 0.000 3.345 189 W HA 0.209 4.870 4.660 0.001 0.000 0.282 189 W C 0.362 176.933 176.519 0.087 0.000 1.302 189 W CA -0.599 56.669 57.345 -0.127 0.000 1.724 189 W CB -0.630 28.765 29.460 -0.110 0.000 1.104 189 W HN -0.246 nan 8.180 nan 0.000 0.694 190 F N 1.882 122.077 119.950 0.407 0.000 2.467 190 F HA 0.250 4.778 4.527 0.001 0.000 0.362 190 F C 1.036 176.993 175.800 0.262 0.000 1.090 190 F CA -0.924 57.337 58.000 0.435 0.000 1.202 190 F CB 0.326 39.705 39.000 0.631 0.000 1.113 190 F HN -0.270 nan 8.300 nan 0.000 0.541 191 R N 3.590 124.368 120.500 0.463 0.000 2.540 191 R HA 0.341 4.682 4.340 0.001 0.000 0.287 191 R C -1.309 175.003 176.300 0.020 0.000 0.980 191 R CA -0.537 55.672 56.100 0.181 0.000 0.966 191 R CB 1.012 31.388 30.300 0.126 0.000 1.106 191 R HN 0.813 nan 8.270 nan 0.000 0.480 192 H N 3.243 122.137 119.070 -0.293 0.000 3.240 192 H HA 0.135 4.692 4.556 0.001 0.000 0.326 192 H C -1.565 173.541 175.328 -0.370 0.000 1.015 192 H CA -0.745 54.958 56.048 -0.576 0.000 1.504 192 H CB 1.172 30.198 29.762 -1.227 0.000 1.754 192 H HN 0.504 nan 8.280 nan 0.000 0.505 193 N N 3.888 122.275 118.700 -0.522 0.000 2.439 193 N HA -0.015 4.726 4.740 0.001 0.000 0.249 193 N C 1.080 176.263 175.510 -0.545 0.000 1.003 193 N CA -0.244 52.532 53.050 -0.456 0.000 0.942 193 N CB 1.069 39.423 38.487 -0.221 0.000 1.115 193 N HN 0.832 nan 8.380 nan 0.000 0.505 194 E N 2.857 122.711 120.200 -0.576 0.000 2.265 194 E HA -0.160 4.191 4.350 0.001 0.000 0.196 194 E C 0.883 177.397 176.600 -0.143 0.000 0.996 194 E CA 1.035 57.217 56.400 -0.364 0.000 0.832 194 E CB -0.069 29.498 29.700 -0.222 0.000 0.756 194 E HN 0.520 nan 8.360 nan 0.000 0.491 195 A N 1.155 123.895 122.820 -0.133 0.000 2.209 195 A HA 0.080 4.400 4.320 0.001 0.000 0.212 195 A C 1.903 179.480 177.584 -0.011 0.000 1.158 195 A CA 0.310 52.311 52.037 -0.060 0.000 0.742 195 A CB -0.301 18.662 19.000 -0.063 0.000 0.790 195 A HN 0.290 nan 8.150 nan 0.000 0.472 196 L N -0.015 121.210 121.223 0.003 0.000 2.653 196 L HA 0.119 4.460 4.340 0.001 0.000 0.231 196 L C -0.608 176.386 176.870 0.207 0.000 1.153 196 L CA -0.424 54.474 54.840 0.096 0.000 0.933 196 L CB -0.100 41.993 42.059 0.057 0.000 1.175 196 L HN 0.125 nan 8.230 nan 0.000 0.473 197 D N 0.373 120.859 120.400 0.143 0.000 2.389 197 D HA 0.229 4.869 4.640 0.001 0.000 0.247 197 D C -0.150 176.209 176.300 0.099 0.000 1.128 197 D CA 0.337 54.437 54.000 0.167 0.000 0.884 197 D CB 1.912 42.776 40.800 0.108 0.000 1.194 197 D HN -0.235 nan 8.370 nan 0.000 0.441 198 V N 2.643 122.595 119.914 0.063 0.000 2.667 198 V HA 0.289 4.410 4.120 0.001 0.000 0.308 198 V C 0.064 176.135 176.094 -0.038 0.000 1.048 198 V CA -0.853 61.417 62.300 -0.050 0.000 0.928 198 V CB 1.848 33.525 31.823 -0.243 0.000 1.004 198 V HN 0.357 nan 8.190 nan 0.000 0.444 199 Q N 2.154 121.920 119.800 -0.056 0.000 2.340 199 Q HA 0.573 4.914 4.340 0.001 0.000 0.259 199 Q C -1.149 174.825 176.000 -0.043 0.000 0.964 199 Q CA -0.341 55.426 55.803 -0.059 0.000 0.900 199 Q CB 1.990 30.680 28.738 -0.081 0.000 1.228 199 Q HN 0.627 nan 8.270 nan 0.000 0.449 200 V N 1.528 121.441 119.914 -0.002 0.000 2.547 200 V HA 0.649 4.770 4.120 0.001 0.000 0.299 200 V C 0.486 176.632 176.094 0.088 0.000 1.040 200 V CA -0.819 61.530 62.300 0.081 0.000 0.913 200 V CB 1.796 33.717 31.823 0.163 0.000 0.992 200 V HN 0.828 nan 8.190 nan 0.000 0.449 201 G N 3.604 112.523 108.800 0.199 0.000 2.371 201 G HA2 0.688 4.649 3.960 0.001 0.000 0.326 201 G HA3 0.688 4.649 3.960 0.001 0.000 0.326 201 G C -1.044 174.124 174.900 0.447 0.000 1.127 201 G CA -0.340 44.802 45.100 0.070 0.000 0.885 201 G HN 0.369 nan 8.290 nan 0.000 0.477 202 I N 0.709 121.491 120.570 0.353 0.000 2.769 202 I HA 0.601 4.772 4.170 0.001 0.000 0.298 202 I C 1.042 177.388 176.117 0.381 0.000 1.128 202 I CA 0.258 61.805 61.300 0.413 0.000 1.031 202 I CB 1.092 39.341 38.000 0.416 0.000 1.235 202 I HN 1.011 nan 8.210 nan 0.000 0.423 203 G N 3.686 112.676 108.800 0.316 0.000 2.574 203 G HA2 0.138 4.099 3.960 0.001 0.000 0.295 203 G HA3 0.138 4.099 3.960 0.001 0.000 0.295 203 G C 0.537 175.661 174.900 0.373 0.000 1.300 203 G CA 0.489 45.745 45.100 0.260 0.000 0.944 203 G HN 1.941 nan 8.290 nan 0.000 0.551 204 G N -1.626 107.323 108.800 0.248 0.000 2.496 204 G HA2 0.448 4.409 3.960 0.001 0.000 0.243 204 G HA3 0.448 4.409 3.960 0.001 0.000 0.243 204 G C 0.328 175.368 174.900 0.234 0.000 1.176 204 G CA 1.801 47.036 45.100 0.226 0.000 0.940 204 G HN 3.108 nan 8.290 nan 0.000 0.573 205 A N -2.019 120.968 122.820 0.278 0.000 2.605 205 A HA 0.770 5.091 4.320 0.001 0.000 0.294 205 A C -0.547 177.199 177.584 0.269 0.000 1.062 205 A CA 0.358 52.529 52.037 0.222 0.000 0.682 205 A CB 1.280 20.356 19.000 0.128 0.000 1.278 205 A HN 2.120 nan 8.150 nan 0.000 0.410 206 V N 1.968 121.990 119.914 0.180 0.000 2.432 206 V HA 0.519 4.640 4.120 0.001 0.000 0.271 206 V C 1.279 177.436 176.094 0.105 0.000 1.046 206 V CA 0.179 62.573 62.300 0.157 0.000 0.945 206 V CB 0.163 32.034 31.823 0.080 0.000 0.992 206 V HN 1.259 nan 8.190 nan 0.000 0.471 207 T N 3.258 117.871 114.554 0.098 0.000 3.141 207 T HA 0.191 4.542 4.350 0.001 0.000 0.391 207 T C 0.625 175.357 174.700 0.052 0.000 1.170 207 T CA -0.295 61.845 62.100 0.068 0.000 1.054 207 T CB 0.281 69.183 68.868 0.058 0.000 1.487 207 T HN 0.555 nan 8.240 nan 0.000 0.530 213 G N 0.404 109.237 108.800 0.054 0.000 2.819 213 G HA2 0.229 4.189 3.960 0.001 0.000 0.272 213 G HA3 0.229 4.189 3.960 0.001 0.000 0.272 213 G C 0.154 175.107 174.900 0.089 0.000 0.701 213 G CA -0.043 45.096 45.100 0.066 0.000 2.095 213 G HN 0.261 nan 8.290 nan 0.000 0.577 214 R N 1.002 121.563 120.500 0.102 0.000 2.335 214 R HA 0.258 4.598 4.340 0.001 0.000 0.302 214 R C -0.852 175.564 176.300 0.195 0.000 1.147 214 R CA -1.011 55.161 56.100 0.120 0.000 1.111 214 R CB 0.203 30.549 30.300 0.077 0.000 1.122 214 R HN 0.385 nan 8.270 nan 0.000 0.557 215 W N 4.394 125.696 121.300 0.004 0.000 2.303 215 W HA 0.171 4.832 4.660 0.001 0.000 0.318 215 W C -0.781 175.747 176.519 0.016 0.000 1.362 215 W CA -0.655 56.694 57.345 0.007 0.000 1.234 215 W CB 0.736 30.193 29.460 -0.006 0.000 1.248 215 W HN 0.512 nan 8.180 nan 0.000 0.546 216 E N 8.690 128.878 120.200 -0.020 0.000 2.593 216 E HA 0.161 4.512 4.350 0.001 0.000 0.232 216 E C -2.278 174.173 176.600 -0.249 0.000 1.026 216 E CA -1.874 54.423 56.400 -0.172 0.000 0.772 216 E CB 0.939 30.622 29.700 -0.028 0.000 1.310 216 E HN 0.206 nan 8.360 nan 0.000 0.413 217 P HA -0.076 nan 4.420 nan 0.000 0.268 217 P C 0.221 177.463 177.300 -0.097 0.000 1.205 217 P CA 0.283 63.140 63.100 -0.405 0.000 0.771 217 P CB 0.935 32.215 31.700 -0.700 0.000 0.858 218 E N 2.135 122.377 120.200 0.069 0.000 2.318 218 E HA 0.047 4.397 4.350 0.001 0.000 0.193 218 E C -0.015 176.716 176.600 0.219 0.000 0.998 218 E CA 0.111 56.581 56.400 0.117 0.000 0.859 218 E CB 0.005 29.786 29.700 0.135 0.000 0.812 218 E HN 0.368 nan 8.360 nan 0.000 0.492 219 F N 1.548 121.524 119.950 0.043 0.000 2.603 219 F HA 0.506 5.033 4.527 0.001 0.000 0.317 219 F C -1.537 174.303 175.800 0.068 0.000 1.066 219 F CA -0.644 57.402 58.000 0.077 0.000 0.941 219 F CB 2.384 41.437 39.000 0.090 0.000 1.291 219 F HN -0.095 nan 8.300 nan 0.000 0.472 220 T N 3.674 117.882 114.554 -0.577 0.000 3.031 220 T HA 0.628 4.978 4.350 0.001 0.000 0.305 220 T C -0.729 173.584 174.700 -0.645 0.000 0.985 220 T CA -0.497 61.336 62.100 -0.445 0.000 1.008 220 T CB 0.873 69.572 68.868 -0.281 0.000 1.005 220 T HN 0.534 nan 8.240 nan 0.000 0.444 221 I N 2.039 122.366 120.570 -0.404 0.000 2.566 221 I HA 0.465 4.635 4.170 0.001 0.000 0.303 221 I C 0.385 176.407 176.117 -0.160 0.000 0.983 221 I CA -0.596 60.539 61.300 -0.276 0.000 1.235 221 I CB 1.657 39.585 38.000 -0.121 0.000 1.386 221 I HN 0.584 nan 8.210 nan 0.000 0.494 222 T N 3.739 118.226 114.554 -0.113 0.000 2.788 222 T HA 0.421 4.771 4.350 0.001 0.000 0.296 222 T C 0.114 174.916 174.700 0.170 0.000 1.009 222 T CA -0.594 61.502 62.100 -0.008 0.000 0.949 222 T CB 0.990 69.821 68.868 -0.063 0.000 0.946 222 T HN 0.797 nan 8.240 nan 0.000 0.453 223 G N 3.182 112.166 108.800 0.307 0.000 2.325 223 G HA2 0.454 4.415 3.960 0.001 0.000 0.298 223 G HA3 0.454 4.415 3.960 0.001 0.000 0.298 223 G C -0.349 174.844 174.900 0.489 0.000 1.134 223 G CA -0.548 44.879 45.100 0.546 0.000 0.876 223 G HN 0.557 nan 8.290 nan 0.000 0.452 224 Q N 0.675 120.802 119.800 0.544 0.000 2.271 224 Q HA 0.515 4.855 4.340 0.001 0.000 0.258 224 Q C -0.330 175.940 176.000 0.450 0.000 0.936 224 Q CA -0.650 55.419 55.803 0.444 0.000 0.909 224 Q CB 2.500 31.465 28.738 0.379 0.000 1.253 224 Q HN 0.596 nan 8.270 nan 0.000 0.440 225 A N 2.788 125.741 122.820 0.222 0.000 2.252 225 A HA 0.418 4.739 4.320 0.001 0.000 0.309 225 A C -1.331 176.118 177.584 -0.226 0.000 1.285 225 A CA -0.456 51.508 52.037 -0.122 0.000 0.900 225 A CB 0.089 18.883 19.000 -0.343 0.000 1.157 225 A HN 0.712 nan 8.150 nan 0.000 0.536 226 W N 2.748 123.929 121.300 -0.198 0.000 2.282 226 W HA 0.337 4.998 4.660 0.001 0.000 0.322 226 W C -0.733 175.837 176.519 0.085 0.000 1.011 226 W CA -0.287 56.952 57.345 -0.177 0.000 1.392 226 W CB 1.222 30.350 29.460 -0.554 0.000 1.215 226 W HN 0.599 nan 8.180 nan 0.000 0.394 227 D N 2.883 123.420 120.400 0.228 0.000 2.304 227 D HA 0.354 4.995 4.640 0.001 0.000 0.247 227 D C -0.775 175.739 176.300 0.355 0.000 1.089 227 D CA -0.263 53.850 54.000 0.189 0.000 0.910 227 D CB 2.038 42.868 40.800 0.050 0.000 1.199 227 D HN 0.065 nan 8.370 nan 0.000 0.426 228 L N 2.777 124.078 121.223 0.131 0.000 2.410 228 L HA 0.361 4.702 4.340 0.001 0.000 0.270 228 L C -2.499 174.353 176.870 -0.030 0.000 0.983 228 L CA -2.148 52.714 54.840 0.037 0.000 0.822 228 L CB 2.304 44.306 42.059 -0.096 0.000 1.285 228 L HN 0.103 nan 8.230 nan 0.000 0.409 229 P HA 0.185 nan 4.420 nan 0.000 0.282 229 P C -0.969 176.232 177.300 -0.166 0.000 1.262 229 P CA -0.202 62.853 63.100 -0.074 0.000 0.773 229 P CB 1.071 32.753 31.700 -0.030 0.000 0.879 230 V N 4.994 124.823 119.914 -0.142 0.000 2.288 230 V HA 0.150 4.271 4.120 0.001 0.000 0.266 230 V C 0.957 176.970 176.094 -0.135 0.000 1.048 230 V CA -0.851 61.360 62.300 -0.149 0.000 0.842 230 V CB 0.840 32.590 31.823 -0.121 0.000 1.064 230 V HN 0.450 nan 8.190 nan 0.000 0.472 231 V N 2.543 122.354 119.914 -0.171 0.000 2.686 231 V HA 0.941 5.062 4.120 0.001 0.000 0.295 231 V C 0.724 176.746 176.094 -0.121 0.000 1.057 231 V CA 0.042 62.245 62.300 -0.163 0.000 1.012 231 V CB 1.235 32.925 31.823 -0.222 0.000 1.006 231 V HN 0.733 nan 8.190 nan 0.000 0.477 232 G N 2.105 110.843 108.800 -0.103 0.000 2.462 232 G HA2 0.428 4.389 3.960 0.001 0.000 0.319 232 G HA3 0.428 4.389 3.960 0.001 0.000 0.319 232 G C -1.153 173.724 174.900 -0.037 0.000 1.171 232 G CA -0.794 44.274 45.100 -0.054 0.000 0.920 232 G HN 0.937 nan 8.290 nan 0.000 0.499 233 Y N 1.861 122.092 120.300 -0.114 0.000 2.637 233 Y HA 0.187 4.738 4.550 0.001 0.000 0.350 233 Y C 1.277 177.110 175.900 -0.111 0.000 1.069 233 Y CA -0.310 57.718 58.100 -0.121 0.000 1.397 233 Y CB 0.192 38.580 38.460 -0.119 0.000 1.163 233 Y HN 0.586 nan 8.280 nan 0.000 0.527 234 R N 2.563 122.716 120.500 -0.578 0.000 3.722 234 R HA -0.288 4.053 4.340 0.001 0.000 0.284 234 R C 0.043 176.196 176.300 -0.245 0.000 1.165 234 R CA 1.190 57.002 56.100 -0.479 0.000 0.779 234 R CB -2.474 27.411 30.300 -0.691 0.000 1.179 234 R HN 0.859 nan 8.270 nan 0.000 0.491 235 N N -2.096 116.500 118.700 -0.174 0.000 2.181 235 N HA 0.134 4.875 4.740 0.001 0.000 0.207 235 N C 1.068 176.509 175.510 -0.115 0.000 1.182 235 N CA 0.675 53.655 53.050 -0.116 0.000 0.893 235 N CB 0.435 38.873 38.487 -0.083 0.000 1.032 235 N HN 0.297 nan 8.380 nan 0.000 0.513 236 G N -0.202 108.522 108.800 -0.128 0.000 2.162 236 G HA2 -0.254 3.707 3.960 0.001 0.000 0.260 236 G HA3 -0.254 3.707 3.960 0.001 0.000 0.260 236 G C -0.371 174.451 174.900 -0.129 0.000 0.976 236 G CA 0.482 45.512 45.100 -0.116 0.000 0.655 236 G HN 0.314 nan 8.290 nan 0.000 0.533 237 V N 0.581 120.416 119.914 -0.132 0.000 2.546 237 V HA 0.736 4.857 4.120 0.001 0.000 0.284 237 V C 0.580 176.616 176.094 -0.097 0.000 1.050 237 V CA 0.305 62.527 62.300 -0.130 0.000 0.981 237 V CB 1.595 33.348 31.823 -0.116 0.000 0.990 237 V HN 1.411 nan 8.190 nan 0.000 0.474 238 A N 5.010 127.791 122.820 -0.065 0.000 2.476 238 A HA 0.701 5.022 4.320 0.001 0.000 0.280 238 A C -0.728 176.850 177.584 -0.010 0.000 1.081 238 A CA -0.596 51.412 52.037 -0.047 0.000 0.753 238 A CB 1.093 20.071 19.000 -0.036 0.000 1.248 238 A HN 0.767 nan 8.150 nan 0.000 0.424 239 Q N 2.429 122.208 119.800 -0.035 0.000 2.351 239 Q HA 0.631 4.971 4.340 0.001 0.000 0.273 239 Q C -2.629 173.333 176.000 -0.064 0.000 1.077 239 Q CA -2.145 53.645 55.803 -0.023 0.000 0.843 239 Q CB 2.911 31.630 28.738 -0.032 0.000 1.367 239 Q HN 0.552 nan 8.270 nan 0.000 0.449 240 P HA 0.172 nan 4.420 nan 0.000 0.284 240 P C -1.322 175.848 177.300 -0.216 0.000 1.258 240 P CA -0.564 62.462 63.100 -0.124 0.000 0.824 240 P CB 0.902 32.534 31.700 -0.115 0.000 1.038 241 L N 3.041 124.121 121.223 -0.239 0.000 2.371 241 L HA 0.430 4.771 4.340 0.001 0.000 0.262 241 L C 0.212 176.890 176.870 -0.319 0.000 1.054 241 L CA -0.715 53.902 54.840 -0.373 0.000 0.924 241 L CB -0.036 41.768 42.059 -0.425 0.000 1.295 241 L HN 0.269 nan 8.230 nan 0.000 0.441 242 R N 4.814 125.066 120.500 -0.414 0.000 2.291 242 R HA 0.402 4.743 4.340 0.001 0.000 0.333 242 R C -1.166 174.879 176.300 -0.425 0.000 1.082 242 R CA -0.231 55.609 56.100 -0.434 0.000 0.948 242 R CB 0.113 30.065 30.300 -0.580 0.000 1.009 242 R HN 0.700 nan 8.270 nan 0.000 0.460 243 L N 5.972 127.052 121.223 -0.239 0.000 2.257 243 L HA 0.356 4.697 4.340 0.001 0.000 0.290 243 L C -0.563 176.264 176.870 -0.072 0.000 1.044 243 L CA -0.772 54.010 54.840 -0.096 0.000 0.810 243 L CB 0.656 42.786 42.059 0.119 0.000 1.193 243 L HN 0.512 nan 8.230 nan 0.000 0.425 244 W N 2.718 124.102 121.300 0.141 0.000 2.315 244 W HA 0.457 5.117 4.660 0.001 0.000 0.316 244 W C 0.281 176.973 176.519 0.288 0.000 1.211 244 W CA -0.264 57.186 57.345 0.175 0.000 1.201 244 W CB 0.670 30.075 29.460 -0.092 0.000 1.184 244 W HN 0.431 nan 8.180 nan 0.000 0.544 245 Q N 2.197 122.339 119.800 0.569 0.000 2.325 245 Q HA 0.615 4.956 4.340 0.001 0.000 0.270 245 Q C -0.603 175.606 176.000 0.348 0.000 1.020 245 Q CA -0.738 55.271 55.803 0.343 0.000 0.785 245 Q CB 1.569 30.333 28.738 0.042 0.000 1.259 245 Q HN 0.630 nan 8.270 nan 0.000 0.452 246 A N 2.953 125.822 122.820 0.082 0.000 2.454 246 A HA 0.516 4.837 4.320 0.001 0.000 0.260 246 A C 0.035 177.598 177.584 -0.035 0.000 1.106 246 A CA 0.390 52.290 52.037 -0.228 0.000 0.780 246 A CB 0.186 18.838 19.000 -0.581 0.000 1.044 246 A HN 0.805 nan 8.150 nan 0.000 0.498 247 T N -0.093 114.467 114.554 0.011 0.000 2.716 247 T HA 0.691 5.041 4.350 0.001 0.000 0.286 247 T C -0.869 173.873 174.700 0.070 0.000 1.052 247 T CA -0.581 61.555 62.100 0.061 0.000 1.024 247 T CB 1.312 70.230 68.868 0.083 0.000 1.349 247 T HN 0.787 nan 8.240 nan 0.000 0.525 248 H N -0.764 118.304 119.070 -0.003 0.000 2.947 248 H HA 0.635 5.191 4.556 0.001 0.000 0.354 248 H C -0.488 174.802 175.328 -0.063 0.000 1.085 248 H CA -0.178 55.845 56.048 -0.042 0.000 1.253 248 H CB 1.614 31.386 29.762 0.016 0.000 1.757 248 H HN 1.097 nan 8.280 nan 0.000 0.523 249 A N 4.567 127.235 122.820 -0.253 0.000 2.491 249 A HA 0.229 4.550 4.320 0.001 0.000 0.261 249 A C -0.033 177.361 177.584 -0.318 0.000 1.101 249 A CA 0.540 52.391 52.037 -0.311 0.000 0.772 249 A CB -0.578 18.102 19.000 -0.533 0.000 1.043 249 A HN 1.113 nan 8.150 nan 0.000 0.501 250 H N 0.936 120.111 119.070 0.174 0.000 2.740 250 H HA -0.100 4.457 4.556 0.001 0.000 0.327 250 H C -2.366 173.120 175.328 0.262 0.000 1.077 250 H CA 0.394 56.562 56.048 0.200 0.000 1.088 250 H CB -1.606 28.248 29.762 0.154 0.000 1.619 250 H HN 0.577 nan 8.280 nan 0.000 0.386 251 P HA 0.171 nan 4.420 nan 0.000 0.266 251 P C -0.182 177.258 177.300 0.232 0.000 1.381 251 P CA -0.003 63.220 63.100 0.205 0.000 0.940 251 P CB 0.126 31.947 31.700 0.201 0.000 1.435 252 F N 0.950 120.960 119.950 0.101 0.000 2.495 252 F HA 0.545 5.073 4.527 0.001 0.000 0.327 252 F C -0.699 175.152 175.800 0.085 0.000 1.103 252 F CA -1.138 56.913 58.000 0.085 0.000 0.949 252 F CB 1.618 40.653 39.000 0.059 0.000 1.142 252 F HN -0.326 nan 8.300 nan 0.000 0.457 253 D N 6.233 126.260 120.400 -0.621 0.000 2.256 253 D HA 0.180 4.821 4.640 0.001 0.000 0.240 253 D C 0.673 176.504 176.300 -0.781 0.000 1.062 253 D CA -0.180 53.528 54.000 -0.487 0.000 0.832 253 D CB 1.945 42.586 40.800 -0.265 0.000 1.135 253 D HN 0.743 nan 8.370 nan 0.000 0.484 254 L N 2.775 123.780 121.223 -0.363 0.000 2.044 254 L HA -0.136 4.205 4.340 0.001 0.000 0.205 254 L C 2.010 178.861 176.870 -0.031 0.000 1.075 254 L CA 1.041 55.803 54.840 -0.130 0.000 0.747 254 L CB -0.105 41.999 42.059 0.076 0.000 0.903 254 L HN 0.451 nan 8.230 nan 0.000 0.435 255 T N 0.006 114.528 114.554 -0.052 0.000 2.597 255 T HA -0.277 4.073 4.350 0.001 0.000 0.267 255 T C 1.825 176.487 174.700 -0.063 0.000 1.053 255 T CA 1.665 63.743 62.100 -0.036 0.000 1.165 255 T CB -0.229 68.612 68.868 -0.046 0.000 0.863 255 T HN 0.280 nan 8.240 nan 0.000 0.427 256 K N 0.069 120.403 120.400 -0.109 0.000 2.074 256 K HA -0.118 4.203 4.320 0.001 0.000 0.209 256 K C 2.072 178.579 176.600 -0.155 0.000 1.048 256 K CA 1.427 57.631 56.287 -0.138 0.000 0.926 256 K CB -0.516 31.899 32.500 -0.142 0.000 0.713 256 K HN 0.282 nan 8.250 nan 0.000 0.444 257 F N 2.814 122.634 119.950 -0.215 0.000 2.069 257 F HA -0.244 4.284 4.527 0.001 0.000 0.298 257 F C 1.945 177.732 175.800 -0.021 0.000 1.113 257 F CA 1.595 59.565 58.000 -0.049 0.000 1.214 257 F CB -0.256 38.832 39.000 0.146 0.000 0.978 257 F HN 0.055 nan 8.300 nan 0.000 0.474 258 N N 0.336 119.132 118.700 0.160 0.000 2.443 258 N HA -0.146 4.595 4.740 0.001 0.000 0.184 258 N C 1.036 176.500 175.510 -0.076 0.000 1.037 258 N CA 1.216 54.321 53.050 0.092 0.000 0.896 258 N CB -0.523 38.045 38.487 0.135 0.000 0.959 258 N HN 0.349 nan 8.380 nan 0.000 0.442 259 D N -0.763 119.541 120.400 -0.161 0.000 2.349 259 D HA 0.116 4.757 4.640 0.001 0.000 0.224 259 D C 1.300 177.399 176.300 -0.336 0.000 1.029 259 D CA 0.565 54.447 54.000 -0.197 0.000 0.879 259 D CB -0.062 40.635 40.800 -0.171 0.000 0.906 259 D HN 0.351 nan 8.370 nan 0.000 0.528 260 G N 0.714 109.148 108.800 -0.611 0.000 2.176 260 G HA2 -0.245 3.715 3.960 0.001 0.000 0.232 260 G HA3 -0.245 3.715 3.960 0.001 0.000 0.232 260 G C 0.256 174.355 174.900 -1.334 0.000 0.986 260 G CA -0.068 44.423 45.100 -1.016 0.000 0.643 260 G HN 0.281 nan 8.290 nan 0.000 0.522 261 D N 0.642 120.531 120.400 -0.851 0.000 2.619 261 D HA 0.465 5.105 4.640 0.001 0.000 0.224 261 D C 1.400 177.428 176.300 -0.453 0.000 1.133 261 D CA -0.576 53.113 54.000 -0.518 0.000 1.017 261 D CB -0.505 40.125 40.800 -0.282 0.000 1.077 261 D HN 0.199 nan 8.370 nan 0.000 0.503 262 F N 0.743 120.604 119.950 -0.148 0.000 2.098 262 F HA -0.079 4.448 4.527 0.001 0.000 0.294 262 F C 2.109 177.950 175.800 0.069 0.000 1.107 262 F CA 0.142 58.101 58.000 -0.069 0.000 1.234 262 F CB -0.829 38.111 39.000 -0.100 0.000 1.002 262 F HN 0.231 nan 8.300 nan 0.000 0.472 263 L N 0.514 121.857 121.223 0.200 0.000 1.955 263 L HA -0.183 4.157 4.340 0.001 0.000 0.213 263 L C 2.568 179.497 176.870 0.098 0.000 1.072 263 L CA 1.755 56.682 54.840 0.145 0.000 0.755 263 L CB -0.664 41.454 42.059 0.098 0.000 0.888 263 L HN -0.069 nan 8.230 nan 0.000 0.432 264 R N 0.016 120.535 120.500 0.031 0.000 2.154 264 R HA -0.170 4.171 4.340 0.001 0.000 0.248 264 R C 2.187 178.486 176.300 -0.002 0.000 1.155 264 R CA 1.449 57.547 56.100 -0.002 0.000 0.979 264 R CB -1.046 29.228 30.300 -0.044 0.000 0.869 264 R HN 0.616 nan 8.270 nan 0.000 0.452 265 A N 0.403 123.231 122.820 0.013 0.000 1.986 265 A HA -0.153 4.167 4.320 0.001 0.000 0.220 265 A C 1.395 178.981 177.584 0.003 0.000 1.171 265 A CA 1.711 53.723 52.037 -0.042 0.000 0.640 265 A CB -0.267 18.793 19.000 0.100 0.000 0.811 265 A HN 0.270 nan 8.150 nan 0.000 0.451 266 E N -0.859 119.422 120.200 0.136 0.000 2.463 266 E HA -0.002 4.348 4.350 0.001 0.000 0.193 266 E C 1.646 178.305 176.600 0.098 0.000 1.041 266 E CA 0.275 56.786 56.400 0.185 0.000 0.879 266 E CB 0.105 29.936 29.700 0.218 0.000 0.997 266 E HN 0.726 nan 8.360 nan 0.000 0.478 267 Q N 1.579 121.404 119.800 0.042 0.000 2.014 267 Q HA -0.226 4.114 4.340 0.001 0.000 0.207 267 Q C 2.101 178.098 176.000 -0.005 0.000 0.993 267 Q CA 1.947 57.754 55.803 0.007 0.000 0.850 267 Q CB -0.090 28.634 28.738 -0.024 0.000 0.916 267 Q HN 0.272 nan 8.270 nan 0.000 0.417 268 Q N -1.369 118.420 119.800 -0.019 0.000 2.045 268 Q HA -0.184 4.156 4.340 0.001 0.000 0.206 268 Q C 1.900 177.891 176.000 -0.015 0.000 0.991 268 Q CA 1.628 57.394 55.803 -0.063 0.000 0.851 268 Q CB -0.593 28.060 28.738 -0.142 0.000 0.911 268 Q HN 0.603 nan 8.270 nan 0.000 0.418 269 G N 0.640 109.463 108.800 0.039 0.000 2.402 269 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 269 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 269 G C 1.401 176.369 174.900 0.112 0.000 1.162 269 G CA 0.623 45.791 45.100 0.112 0.000 0.777 269 G HN 0.299 nan 8.290 nan 0.000 0.539 270 I N 0.986 121.608 120.570 0.087 0.000 2.264 270 I HA -0.225 3.946 4.170 0.001 0.000 0.248 270 I C 2.460 178.615 176.117 0.063 0.000 1.111 270 I CA 1.250 62.595 61.300 0.076 0.000 1.382 270 I CB -0.541 37.498 38.000 0.066 0.000 1.060 270 I HN 0.290 nan 8.210 nan 0.000 0.418 271 N N 0.609 119.331 118.700 0.037 0.000 2.166 271 N HA -0.142 4.599 4.740 0.001 0.000 0.186 271 N C 1.952 177.542 175.510 0.133 0.000 1.019 271 N CA 1.174 54.215 53.050 -0.015 0.000 0.856 271 N CB -0.052 38.286 38.487 -0.248 0.000 0.993 271 N HN 0.339 nan 8.380 nan 0.000 0.426 272 A N 1.329 124.321 122.820 0.286 0.000 1.874 272 A HA -0.081 4.240 4.320 0.001 0.000 0.214 272 A C 1.881 179.514 177.584 0.081 0.000 1.189 272 A CA 1.045 53.251 52.037 0.282 0.000 0.615 272 A CB -0.325 18.845 19.000 0.282 0.000 0.830 272 A HN 0.209 nan 8.150 nan 0.000 0.443 273 E N 0.371 120.619 120.200 0.081 0.000 2.204 273 E HA -0.215 4.135 4.350 0.001 0.000 0.195 273 E C 1.834 178.469 176.600 0.058 0.000 0.990 273 E CA 1.385 57.813 56.400 0.047 0.000 0.821 273 E CB -0.164 29.574 29.700 0.064 0.000 0.750 273 E HN 0.811 nan 8.360 nan 0.000 0.477 274 K N 0.897 121.341 120.400 0.073 0.000 2.152 274 K HA -0.143 4.177 4.320 0.001 0.000 0.206 274 K C 1.864 178.527 176.600 0.104 0.000 1.048 274 K CA 1.172 57.515 56.287 0.093 0.000 0.933 274 K CB -0.396 32.154 32.500 0.083 0.000 0.721 274 K HN 0.115 nan 8.250 nan 0.000 0.447 275 L N 1.700 122.961 121.223 0.064 0.000 2.261 275 L HA -0.092 4.249 4.340 0.001 0.000 0.216 275 L C 1.257 178.234 176.870 0.179 0.000 1.114 275 L CA 1.421 56.312 54.840 0.084 0.000 0.777 275 L CB -1.110 40.916 42.059 -0.055 0.000 0.910 275 L HN 0.459 nan 8.230 nan 0.000 0.440 276 T N -5.095 109.554 114.554 0.159 0.000 3.374 276 T HA 0.257 4.608 4.350 0.001 0.000 0.267 276 T C 0.996 175.860 174.700 0.272 0.000 0.996 276 T CA -0.658 61.598 62.100 0.259 0.000 0.977 276 T CB 0.542 69.507 68.868 0.162 0.000 1.149 276 T HN 0.042 nan 8.240 nan 0.000 0.517 277 K N 0.697 121.256 120.400 0.264 0.000 2.157 277 K HA 0.321 4.642 4.320 0.001 0.000 0.207 277 K C 0.490 177.265 176.600 0.292 0.000 1.030 277 K CA 0.460 56.907 56.287 0.266 0.000 0.965 277 K CB 0.255 32.926 32.500 0.285 0.000 0.877 277 K HN 0.274 nan 8.250 nan 0.000 0.460 278 V N 3.064 123.089 119.914 0.185 0.000 2.604 278 V HA 0.255 4.376 4.120 0.001 0.000 0.305 278 V C -0.325 175.600 176.094 -0.282 0.000 1.043 278 V CA -0.966 61.356 62.300 0.037 0.000 0.888 278 V CB 2.441 34.322 31.823 0.097 0.000 0.995 278 V HN 0.189 nan 8.190 nan 0.000 0.429 279 L N 5.590 126.440 121.223 -0.621 0.000 2.331 279 L HA 0.370 4.710 4.340 0.001 0.000 0.278 279 L C -0.510 176.157 176.870 -0.339 0.000 1.106 279 L CA -0.040 54.168 54.840 -1.054 0.000 0.824 279 L CB 0.066 41.446 42.059 -1.132 0.000 1.142 279 L HN 0.889 nan 8.230 nan 0.000 0.443 280 Y N 2.815 123.011 120.300 -0.174 0.000 2.980 280 Y HA -0.173 4.378 4.550 0.001 0.000 0.199 280 Y C -1.908 173.996 175.900 0.007 0.000 1.319 280 Y CA -0.403 57.674 58.100 -0.038 0.000 0.877 280 Y CB -2.241 36.206 38.460 -0.022 0.000 1.259 280 Y HN 0.510 nan 8.280 nan 0.000 0.437 281 P HA 0.088 nan 4.420 nan 0.000 0.274 281 P C 0.258 177.630 177.300 0.119 0.000 1.246 281 P CA -0.405 62.772 63.100 0.129 0.000 0.795 281 P CB 0.795 32.563 31.700 0.114 0.000 1.006 282 N N 1.511 120.280 118.700 0.116 0.000 2.411 282 N HA -0.064 4.677 4.740 0.001 0.000 0.265 282 N C 0.105 175.635 175.510 0.033 0.000 1.266 282 N CA 0.277 53.390 53.050 0.105 0.000 0.889 282 N CB -0.245 38.337 38.487 0.159 0.000 1.069 282 N HN 0.274 nan 8.380 nan 0.000 0.476 283 D N 0.966 121.365 120.400 -0.000 0.000 2.501 283 D HA 0.028 4.669 4.640 0.001 0.000 0.226 283 D C -0.196 176.068 176.300 -0.060 0.000 1.198 283 D CA -0.277 53.677 54.000 -0.076 0.000 0.830 283 D CB -0.782 40.026 40.800 0.013 0.000 1.014 283 D HN 0.415 nan 8.370 nan 0.000 0.496 284 N N 2.195 120.916 118.700 0.035 0.000 3.303 284 N HA 0.033 4.773 4.740 0.001 0.000 0.304 284 N C -1.038 174.615 175.510 0.238 0.000 1.302 284 N CA -0.119 52.989 53.050 0.097 0.000 1.213 284 N CB -0.626 37.909 38.487 0.080 0.000 1.481 284 N HN 0.340 nan 8.380 nan 0.000 0.546 285 H N -2.505 116.586 119.070 0.035 0.000 2.869 285 H HA -0.028 4.529 4.556 0.001 0.000 0.265 285 H C -0.107 175.257 175.328 0.059 0.000 1.227 285 H CA -0.342 55.730 56.048 0.040 0.000 1.677 285 H CB -0.363 29.419 29.762 0.035 0.000 1.927 285 H HN -0.053 nan 8.280 nan 0.000 0.495 286 T N 1.957 116.581 114.554 0.117 0.000 2.531 286 T HA -0.264 4.086 4.350 0.001 0.000 0.261 286 T C 2.302 176.996 174.700 -0.009 0.000 1.141 286 T CA 3.526 65.663 62.100 0.061 0.000 1.176 286 T CB -0.805 68.112 68.868 0.081 0.000 0.863 286 T HN 0.702 nan 8.240 nan 0.000 0.424 287 A N 1.404 124.258 122.820 0.056 0.000 1.940 287 A HA -0.096 4.225 4.320 0.001 0.000 0.221 287 A C 2.584 180.063 177.584 -0.176 0.000 1.190 287 A CA 2.465 54.511 52.037 0.014 0.000 0.647 287 A CB -1.588 17.543 19.000 0.218 0.000 0.821 287 A HN 0.601 nan 8.150 nan 0.000 0.457 288 G N -0.473 107.913 108.800 -0.689 0.000 2.453 288 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 288 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 288 G C 1.616 176.448 174.900 -0.114 0.000 1.201 288 G CA 1.134 45.942 45.100 -0.487 0.000 0.784 288 G HN 0.412 nan 8.290 nan 0.000 0.545 289 K N 0.700 121.061 120.400 -0.064 0.000 2.034 289 K HA -0.164 4.156 4.320 0.001 0.000 0.214 289 K C 2.329 179.026 176.600 0.162 0.000 1.051 289 K CA 1.663 58.076 56.287 0.210 0.000 0.931 289 K CB -0.551 32.092 32.500 0.237 0.000 0.715 289 K HN 0.441 nan 8.250 nan 0.000 0.446 290 K N 0.672 121.097 120.400 0.041 0.000 2.057 290 K HA -0.152 4.169 4.320 0.001 0.000 0.207 290 K C 2.176 178.760 176.600 -0.027 0.000 1.049 290 K CA 1.026 57.303 56.287 -0.018 0.000 0.931 290 K CB -0.186 32.313 32.500 -0.002 0.000 0.714 290 K HN -0.001 nan 8.250 nan 0.000 0.440 291 L N 1.683 122.914 121.223 0.013 0.000 2.056 291 L HA -0.122 4.218 4.340 0.001 0.000 0.207 291 L C 2.153 179.069 176.870 0.076 0.000 1.078 291 L CA 1.517 56.386 54.840 0.048 0.000 0.749 291 L CB -0.515 41.581 42.059 0.061 0.000 0.901 291 L HN 0.128 nan 8.230 nan 0.000 0.433 292 R N -0.610 119.957 120.500 0.112 0.000 2.094 292 R HA -0.210 4.131 4.340 0.001 0.000 0.239 292 R C 2.196 178.533 176.300 0.062 0.000 1.137 292 R CA 1.892 58.109 56.100 0.196 0.000 0.943 292 R CB -1.236 29.304 30.300 0.400 0.000 0.850 292 R HN 0.339 nan 8.270 nan 0.000 0.433 293 L N 0.901 121.978 121.223 -0.243 0.000 2.191 293 L HA -0.084 4.257 4.340 0.001 0.000 0.212 293 L C 2.268 179.049 176.870 -0.148 0.000 1.103 293 L CA 1.497 56.039 54.840 -0.496 0.000 0.769 293 L CB -0.258 41.172 42.059 -1.049 0.000 0.908 293 L HN 0.172 nan 8.230 nan 0.000 0.438 294 M N -1.845 117.740 119.600 -0.024 0.000 2.156 294 M HA -0.200 4.280 4.480 0.001 0.000 0.264 294 M C 2.248 178.671 176.300 0.206 0.000 1.067 294 M CA 1.464 56.834 55.300 0.117 0.000 1.131 294 M CB -0.359 32.306 32.600 0.108 0.000 1.368 294 M HN 0.318 nan 8.290 nan 0.000 0.416 295 Q N 0.248 120.160 119.800 0.186 0.000 2.030 295 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 295 Q C 2.063 178.221 176.000 0.263 0.000 0.986 295 Q CA 1.780 57.740 55.803 0.262 0.000 0.843 295 Q CB -0.218 28.674 28.738 0.257 0.000 0.904 295 Q HN 0.607 nan 8.270 nan 0.000 0.420 296 Q N -0.597 119.324 119.800 0.202 0.000 2.030 296 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 296 Q C 1.939 178.010 176.000 0.118 0.000 0.986 296 Q CA 1.734 57.643 55.803 0.175 0.000 0.843 296 Q CB -0.343 28.499 28.738 0.174 0.000 0.904 296 Q HN 0.410 nan 8.270 nan 0.000 0.420 297 Y N 0.635 120.935 120.300 0.000 0.000 2.181 297 Y HA -0.285 4.266 4.550 0.001 0.000 0.288 297 Y C 1.995 177.917 175.900 0.038 0.000 1.146 297 Y CA 1.487 59.561 58.100 -0.043 0.000 1.164 297 Y CB -0.408 37.988 38.460 -0.107 0.000 0.982 297 Y HN 0.148 nan 8.280 nan 0.000 0.515 298 F N 1.159 120.999 119.950 -0.183 0.000 2.075 298 F HA -0.220 4.307 4.527 0.001 0.000 0.297 298 F C 2.517 178.114 175.800 -0.339 0.000 1.113 298 F CA 2.364 60.208 58.000 -0.260 0.000 1.218 298 F CB -1.101 37.871 39.000 -0.046 0.000 0.984 298 F HN 0.218 nan 8.300 nan 0.000 0.472 299 Q N -0.082 119.521 119.800 -0.330 0.000 2.014 299 Q HA -0.258 4.083 4.340 0.001 0.000 0.207 299 Q C 2.461 178.182 176.000 -0.465 0.000 0.993 299 Q CA 2.939 58.485 55.803 -0.429 0.000 0.850 299 Q CB -0.743 27.992 28.738 -0.005 0.000 0.916 299 Q HN 0.569 nan 8.270 nan 0.000 0.417 300 C N 0.316 119.442 119.300 -0.288 0.000 2.398 300 C HA -0.201 4.260 4.460 0.001 0.000 0.276 300 C C 2.845 177.599 174.990 -0.393 0.000 1.222 300 C CA 0.757 59.621 59.018 -0.257 0.000 1.746 300 C CB -1.593 26.064 27.740 -0.138 0.000 2.039 300 C HN 0.737 nan 8.230 nan 0.000 0.470 301 A N -0.333 122.135 122.820 -0.587 0.000 1.859 301 A HA -0.315 4.006 4.320 0.001 0.000 0.218 301 A C 2.225 179.474 177.584 -0.559 0.000 1.209 301 A CA 2.485 54.176 52.037 -0.576 0.000 0.639 301 A CB -1.484 17.042 19.000 -0.789 0.000 0.835 301 A HN 0.665 nan 8.150 nan 0.000 0.450 302 C N -0.941 117.832 119.300 -0.879 0.000 2.336 302 C HA -0.170 4.290 4.460 0.001 0.000 0.275 302 C C 3.258 177.698 174.990 -0.917 0.000 1.175 302 C CA 1.597 59.866 59.018 -1.247 0.000 1.771 302 C CB -1.567 24.653 27.740 -2.532 0.000 2.030 302 C HN 0.676 nan 8.230 nan 0.000 0.442 303 S N 0.403 115.634 115.700 -0.782 0.000 2.368 303 S HA -0.211 4.260 4.470 0.001 0.000 0.226 303 S C 1.827 176.188 174.600 -0.399 0.000 1.044 303 S CA 1.973 59.841 58.200 -0.554 0.000 1.062 303 S CB -0.581 62.319 63.200 -0.500 0.000 0.931 303 S HN 0.487 nan 8.310 nan 0.000 0.440 304 V N 1.978 121.726 119.914 -0.277 0.000 2.332 304 V HA -0.239 3.882 4.120 0.001 0.000 0.248 304 V C 2.606 178.634 176.094 -0.111 0.000 1.055 304 V CA 1.732 63.947 62.300 -0.141 0.000 1.038 304 V CB -1.369 30.421 31.823 -0.055 0.000 0.651 304 V HN 0.562 nan 8.190 nan 0.000 0.450 305 A N 0.216 122.952 122.820 -0.140 0.000 1.841 305 A HA -0.331 3.990 4.320 0.001 0.000 0.216 305 A C 2.084 179.652 177.584 -0.026 0.000 1.199 305 A CA 2.338 54.328 52.037 -0.080 0.000 0.621 305 A CB -0.964 17.963 19.000 -0.122 0.000 0.835 305 A HN 0.554 nan 8.150 nan 0.000 0.445 306 D N -0.166 120.232 120.400 -0.004 0.000 2.126 306 D HA -0.184 4.457 4.640 0.001 0.000 0.190 306 D C 1.740 178.106 176.300 0.109 0.000 1.001 306 D CA 1.906 55.993 54.000 0.145 0.000 0.841 306 D CB -0.303 40.741 40.800 0.406 0.000 0.949 306 D HN 0.500 nan 8.370 nan 0.000 0.446 307 I N 0.024 120.618 120.570 0.039 0.000 2.127 307 I HA -0.282 3.888 4.170 0.001 0.000 0.241 307 I C 2.515 178.647 176.117 0.024 0.000 1.075 307 I CA 0.808 62.133 61.300 0.042 0.000 1.334 307 I CB -0.358 37.628 38.000 -0.022 0.000 1.040 307 I HN 0.119 nan 8.210 nan 0.000 0.405 308 L N 0.204 121.423 121.223 -0.007 0.000 2.079 308 L HA -0.224 4.116 4.340 0.001 0.000 0.210 308 L C 2.796 179.717 176.870 0.085 0.000 1.081 308 L CA 1.308 56.155 54.840 0.011 0.000 0.752 308 L CB -0.754 41.295 42.059 -0.016 0.000 0.896 308 L HN 0.308 nan 8.230 nan 0.000 0.433 309 R N 0.630 121.175 120.500 0.074 0.000 2.081 309 R HA -0.182 4.158 4.340 0.001 0.000 0.235 309 R C 2.511 178.874 176.300 0.106 0.000 1.131 309 R CA 1.321 57.479 56.100 0.097 0.000 0.960 309 R CB -0.202 30.142 30.300 0.073 0.000 0.856 309 R HN 0.283 nan 8.270 nan 0.000 0.436 310 R N -0.311 120.234 120.500 0.076 0.000 2.070 310 R HA -0.222 4.119 4.340 0.001 0.000 0.233 310 R C 2.136 178.445 176.300 0.015 0.000 1.137 310 R CA 2.203 58.317 56.100 0.025 0.000 0.945 310 R CB -0.819 29.480 30.300 -0.000 0.000 0.845 310 R HN 0.345 nan 8.270 nan 0.000 0.430 311 H N -0.180 118.847 119.070 -0.071 0.000 2.321 311 H HA -0.227 4.329 4.556 0.001 0.000 0.295 311 H C 2.096 177.360 175.328 -0.108 0.000 1.102 311 H CA 2.609 58.587 56.048 -0.116 0.000 1.266 311 H CB -0.514 29.191 29.762 -0.094 0.000 1.363 311 H HN 0.533 nan 8.280 nan 0.000 0.492 312 H N -0.393 118.639 119.070 -0.063 0.000 2.357 312 H HA -0.014 4.543 4.556 0.001 0.000 0.301 312 H C 2.242 177.483 175.328 -0.145 0.000 1.082 312 H CA 1.696 57.667 56.048 -0.128 0.000 1.342 312 H CB -0.336 29.403 29.762 -0.038 0.000 1.389 312 H HN 0.369 nan 8.280 nan 0.000 0.511 313 L N -0.106 121.014 121.223 -0.171 0.000 2.265 313 L HA -0.057 4.284 4.340 0.001 0.000 0.215 313 L C 2.466 179.188 176.870 -0.247 0.000 1.117 313 L CA 0.808 55.519 54.840 -0.215 0.000 0.782 313 L CB -0.498 41.511 42.059 -0.084 0.000 0.914 313 L HN 0.434 nan 8.230 nan 0.000 0.441 314 A N -0.239 122.425 122.820 -0.261 0.000 2.235 314 A HA 0.253 4.574 4.320 0.001 0.000 0.208 314 A C 1.767 179.153 177.584 -0.331 0.000 1.172 314 A CA 0.711 52.584 52.037 -0.273 0.000 0.786 314 A CB -0.503 18.328 19.000 -0.283 0.000 0.804 314 A HN 0.511 nan 8.150 nan 0.000 0.479 315 G N -0.574 107.993 108.800 -0.387 0.000 2.160 315 G HA2 -0.278 3.682 3.960 0.001 0.000 0.251 315 G HA3 -0.278 3.682 3.960 0.001 0.000 0.251 315 G C 0.351 175.013 174.900 -0.396 0.000 1.008 315 G CA 0.546 45.421 45.100 -0.375 0.000 0.724 315 G HN 0.686 nan 8.290 nan 0.000 0.514 326 L N 2.250 123.495 121.223 0.037 0.000 2.191 326 L HA -0.166 4.175 4.340 0.001 0.000 0.212 326 L C 2.344 179.232 176.870 0.030 0.000 1.103 326 L CA 1.590 56.451 54.840 0.034 0.000 0.769 326 L CB -0.379 41.627 42.059 -0.087 0.000 0.908 326 L HN 0.679 nan 8.230 nan 0.000 0.438 327 H N -1.097 117.997 119.070 0.041 0.000 2.529 327 H HA -0.060 4.497 4.556 0.001 0.000 0.277 327 H C 0.774 176.129 175.328 0.045 0.000 0.999 327 H CA 0.649 56.712 56.048 0.025 0.000 1.256 327 H CB 0.167 29.947 29.762 0.030 0.000 1.402 327 H HN 0.465 nan 8.280 nan 0.000 0.566 328 E N 1.223 121.372 120.200 -0.086 0.000 2.451 328 E HA 0.103 4.454 4.350 0.001 0.000 0.194 328 E C 1.841 178.536 176.600 0.159 0.000 1.027 328 E CA -0.412 56.026 56.400 0.062 0.000 0.914 328 E CB 0.612 30.351 29.700 0.064 0.000 1.054 328 E HN 0.329 nan 8.360 nan 0.000 0.461 329 L N 1.106 122.282 121.223 -0.078 0.000 1.978 329 L HA -0.303 4.038 4.340 0.001 0.000 0.218 329 L C 2.304 179.095 176.870 -0.131 0.000 1.075 329 L CA 2.195 56.821 54.840 -0.357 0.000 0.767 329 L CB -0.595 41.227 42.059 -0.395 0.000 0.890 329 L HN 0.265 nan 8.230 nan 0.000 0.434 330 A N -0.765 121.984 122.820 -0.118 0.000 2.032 330 A HA -0.249 4.072 4.320 0.001 0.000 0.221 330 A C 1.716 179.239 177.584 -0.101 0.000 1.165 330 A CA 2.002 53.961 52.037 -0.130 0.000 0.645 330 A CB -0.518 18.388 19.000 -0.157 0.000 0.807 330 A HN 0.564 nan 8.150 nan 0.000 0.453 331 D N -2.416 117.950 120.400 -0.057 0.000 2.323 331 D HA 0.017 4.658 4.640 0.001 0.000 0.209 331 D C 0.719 176.796 176.300 -0.372 0.000 0.973 331 D CA 0.955 54.828 54.000 -0.212 0.000 0.874 331 D CB -0.032 40.601 40.800 -0.277 0.000 0.930 331 D HN 0.686 nan 8.370 nan 0.000 0.521 332 Y N -0.143 120.154 120.300 -0.005 0.000 2.423 332 Y HA 0.226 4.777 4.550 0.001 0.000 0.257 332 Y C 0.623 176.541 175.900 0.030 0.000 1.087 332 Y CA -0.201 57.919 58.100 0.034 0.000 1.258 332 Y CB 1.030 39.551 38.460 0.103 0.000 1.237 332 Y HN -0.288 nan 8.280 nan 0.000 0.517 333 E N 0.746 121.009 120.200 0.104 0.000 2.256 333 E HA 0.646 4.997 4.350 0.001 0.000 0.267 333 E C -1.199 175.395 176.600 -0.011 0.000 0.892 333 E CA -0.714 55.714 56.400 0.048 0.000 0.775 333 E CB 3.048 32.734 29.700 -0.023 0.000 1.207 333 E HN -0.203 nan 8.360 nan 0.000 0.420 334 V N 1.722 121.635 119.914 -0.002 0.000 2.623 334 V HA 0.503 4.623 4.120 0.001 0.000 0.304 334 V C -0.144 175.943 176.094 -0.012 0.000 1.054 334 V CA -0.750 61.563 62.300 0.021 0.000 0.882 334 V CB 1.737 33.583 31.823 0.038 0.000 1.002 334 V HN 0.534 nan 8.190 nan 0.000 0.424 335 I N 3.410 123.991 120.570 0.020 0.000 2.390 335 I HA 0.414 4.585 4.170 0.001 0.000 0.283 335 I C -0.350 175.860 176.117 0.156 0.000 1.016 335 I CA -0.552 60.777 61.300 0.048 0.000 1.151 335 I CB 1.755 39.732 38.000 -0.039 0.000 1.293 335 I HN 0.619 nan 8.210 nan 0.000 0.458 336 Q N 6.752 126.631 119.800 0.132 0.000 2.294 336 Q HA 0.388 4.728 4.340 0.001 0.000 0.257 336 Q C -1.062 174.945 176.000 0.012 0.000 0.955 336 Q CA 0.028 55.926 55.803 0.159 0.000 0.936 336 Q CB 1.077 29.998 28.738 0.305 0.000 1.188 336 Q HN 0.606 nan 8.270 nan 0.000 0.420 337 L N 4.496 125.783 121.223 0.107 0.000 2.288 337 L HA 0.307 4.648 4.340 0.001 0.000 0.283 337 L C 0.009 176.960 176.870 0.136 0.000 1.072 337 L CA -0.689 54.217 54.840 0.110 0.000 0.862 337 L CB 0.315 42.477 42.059 0.173 0.000 1.245 337 L HN 0.598 nan 8.230 nan 0.000 0.432 338 N N 4.701 123.397 118.700 -0.007 0.000 2.416 338 N HA -0.007 4.733 4.740 0.001 0.000 0.271 338 N C 0.064 175.747 175.510 0.288 0.000 1.245 338 N CA 0.756 53.881 53.050 0.126 0.000 0.940 338 N CB 0.019 38.489 38.487 -0.028 0.000 1.175 338 N HN 0.595 nan 8.380 nan 0.000 0.483 339 D N 0.219 120.882 120.400 0.438 0.000 4.658 339 D HA -0.210 4.430 4.640 0.001 0.000 0.304 339 D C 0.047 176.509 176.300 0.270 0.000 2.363 339 D CA 1.459 55.707 54.000 0.414 0.000 1.179 339 D CB -0.352 40.557 40.800 0.182 0.000 1.091 339 D HN 0.575 nan 8.370 nan 0.000 1.274 340 T N -2.190 112.363 114.554 -0.001 0.000 3.107 340 T HA 0.112 4.463 4.350 0.001 0.000 0.249 340 T C 1.452 176.115 174.700 -0.061 0.000 1.096 340 T CA 0.989 63.018 62.100 -0.118 0.000 1.012 340 T CB -0.317 68.460 68.868 -0.152 0.000 0.977 340 T HN 0.434 nan 8.240 nan 0.000 0.527 341 H N 2.778 121.944 119.070 0.160 0.000 2.319 341 H HA -0.007 4.550 4.556 0.001 0.000 0.297 341 H C -0.771 174.644 175.328 0.145 0.000 1.097 341 H CA 1.659 57.823 56.048 0.193 0.000 1.285 341 H CB -1.220 28.677 29.762 0.226 0.000 1.368 341 H HN 0.410 nan 8.280 nan 0.000 0.495 342 P HA 0.125 nan 4.420 nan 0.000 0.259 342 P C 0.392 177.696 177.300 0.007 0.000 1.530 342 P CA 0.375 63.541 63.100 0.109 0.000 1.022 342 P CB 0.469 32.239 31.700 0.117 0.000 1.514 343 T N 0.811 115.356 114.554 -0.015 0.000 2.699 343 T HA -0.192 4.158 4.350 0.001 0.000 0.268 343 T C 1.573 176.193 174.700 -0.133 0.000 1.036 343 T CA 1.238 63.268 62.100 -0.116 0.000 1.147 343 T CB -0.771 68.044 68.868 -0.088 0.000 0.862 343 T HN 0.076 nan 8.240 nan 0.000 0.446 344 I N 1.467 122.005 120.570 -0.054 0.000 2.761 344 I HA -0.136 4.035 4.170 0.001 0.000 0.266 344 I C 2.231 178.316 176.117 -0.052 0.000 1.239 344 I CA 0.373 61.642 61.300 -0.052 0.000 1.451 344 I CB -0.513 37.471 38.000 -0.028 0.000 1.096 344 I HN 0.198 nan 8.210 nan 0.000 0.465 345 A N -0.039 122.720 122.820 -0.102 0.000 2.014 345 A HA -0.096 4.225 4.320 0.001 0.000 0.218 345 A C 2.253 179.717 177.584 -0.200 0.000 1.163 345 A CA 1.382 53.370 52.037 -0.082 0.000 0.652 345 A CB -0.687 18.297 19.000 -0.027 0.000 0.808 345 A HN 0.471 nan 8.150 nan 0.000 0.449 346 I N 0.562 120.830 120.570 -0.502 0.000 2.076 346 I HA -0.174 3.997 4.170 0.001 0.000 0.237 346 I C -0.363 175.695 176.117 -0.098 0.000 1.059 346 I CA 1.718 62.658 61.300 -0.600 0.000 1.317 346 I CB -0.999 36.632 38.000 -0.615 0.000 1.037 346 I HN 0.216 nan 8.210 nan 0.000 0.398 347 P HA -0.229 nan 4.420 nan 0.000 0.216 347 P C 1.319 178.768 177.300 0.247 0.000 1.150 347 P CA 1.740 64.943 63.100 0.171 0.000 0.843 347 P CB -0.041 31.800 31.700 0.235 0.000 0.787 348 E N 0.310 120.688 120.200 0.296 0.000 2.031 348 E HA -0.175 4.176 4.350 0.001 0.000 0.193 348 E C 1.962 178.688 176.600 0.210 0.000 0.994 348 E CA 0.893 57.520 56.400 0.379 0.000 0.800 348 E CB -1.335 28.550 29.700 0.308 0.000 0.752 348 E HN 0.060 nan 8.360 nan 0.000 0.447 349 L N 0.108 121.437 121.223 0.177 0.000 2.131 349 L HA -0.031 4.309 4.340 0.001 0.000 0.210 349 L C 2.198 179.120 176.870 0.087 0.000 1.092 349 L CA 1.385 56.309 54.840 0.141 0.000 0.759 349 L CB -0.363 41.815 42.059 0.198 0.000 0.903 349 L HN 0.306 nan 8.230 nan 0.000 0.435 350 L N -0.749 120.513 121.223 0.066 0.000 2.017 350 L HA -0.243 4.097 4.340 0.001 0.000 0.208 350 L C 2.828 179.704 176.870 0.011 0.000 1.073 350 L CA 1.650 56.478 54.840 -0.019 0.000 0.745 350 L CB -0.419 41.596 42.059 -0.073 0.000 0.894 350 L HN 0.308 nan 8.230 nan 0.000 0.432 351 R N -0.349 120.172 120.500 0.035 0.000 2.112 351 R HA -0.207 4.134 4.340 0.001 0.000 0.242 351 R C 2.102 178.447 176.300 0.075 0.000 1.137 351 R CA 2.321 58.436 56.100 0.026 0.000 0.944 351 R CB -0.342 29.926 30.300 -0.054 0.000 0.857 351 R HN 0.207 nan 8.270 nan 0.000 0.435 352 V N 1.067 121.044 119.914 0.105 0.000 2.295 352 V HA -0.247 3.874 4.120 0.001 0.000 0.246 352 V C 2.421 178.650 176.094 0.225 0.000 1.049 352 V CA 1.296 63.683 62.300 0.145 0.000 1.024 352 V CB -0.577 31.342 31.823 0.160 0.000 0.648 352 V HN 0.274 nan 8.190 nan 0.000 0.447 353 L N -0.518 120.809 121.223 0.172 0.000 1.989 353 L HA -0.147 4.194 4.340 0.001 0.000 0.211 353 L C 2.260 179.219 176.870 0.149 0.000 1.071 353 L CA 1.995 56.932 54.840 0.161 0.000 0.749 353 L CB -1.016 41.068 42.059 0.041 0.000 0.890 353 L HN 0.256 nan 8.230 nan 0.000 0.431 354 I N -0.538 120.090 120.570 0.096 0.000 2.141 354 I HA -0.257 3.914 4.170 0.001 0.000 0.236 354 I C 1.988 178.162 176.117 0.095 0.000 1.071 354 I CA 1.316 62.677 61.300 0.102 0.000 1.345 354 I CB -0.363 37.705 38.000 0.112 0.000 1.066 354 I HN 0.218 nan 8.210 nan 0.000 0.406 355 D N 0.431 120.881 120.400 0.082 0.000 2.234 355 D HA -0.105 4.536 4.640 0.001 0.000 0.205 355 D C 1.900 178.208 176.300 0.014 0.000 0.962 355 D CA 1.003 55.040 54.000 0.062 0.000 0.855 355 D CB -0.057 40.787 40.800 0.075 0.000 0.951 355 D HN 0.462 nan 8.370 nan 0.000 0.500 356 E N -0.768 119.420 120.200 -0.020 0.000 2.389 356 E HA 0.039 4.390 4.350 0.001 0.000 0.199 356 E C 0.584 176.928 176.600 -0.426 0.000 0.978 356 E CA 0.277 56.554 56.400 -0.205 0.000 0.912 356 E CB 0.277 29.829 29.700 -0.246 0.000 0.907 356 E HN 0.391 nan 8.360 nan 0.000 0.494 357 H N 0.177 119.264 119.070 0.027 0.000 2.674 357 H HA 0.164 4.721 4.556 0.001 0.000 0.274 357 H C -0.549 174.801 175.328 0.036 0.000 1.121 357 H CA -0.198 55.866 56.048 0.026 0.000 1.132 357 H CB 0.629 30.405 29.762 0.024 0.000 1.606 357 H HN -0.101 nan 8.280 nan 0.000 0.558 358 Q N -0.149 119.708 119.800 0.096 0.000 2.435 358 Q HA -0.212 4.129 4.340 0.001 0.000 0.312 358 Q C -0.569 175.493 176.000 0.103 0.000 1.333 358 Q CA 0.706 56.561 55.803 0.086 0.000 0.883 358 Q CB -1.496 27.280 28.738 0.064 0.000 1.170 358 Q HN 0.587 nan 8.270 nan 0.000 0.443 359 M N 0.222 119.892 119.600 0.116 0.000 2.277 359 M HA 0.337 4.818 4.480 0.001 0.000 0.350 359 M C 0.668 177.036 176.300 0.114 0.000 1.180 359 M CA -0.217 55.146 55.300 0.105 0.000 1.103 359 M CB 1.153 33.809 32.600 0.093 0.000 1.577 359 M HN 0.402 nan 8.290 nan 0.000 0.459 360 S N 2.759 118.532 115.700 0.120 0.000 2.617 360 S HA 0.049 4.519 4.470 0.001 0.000 0.255 360 S C 0.847 175.577 174.600 0.217 0.000 1.318 360 S CA -0.634 57.666 58.200 0.166 0.000 0.978 360 S CB 0.401 63.696 63.200 0.158 0.000 0.961 360 S HN 0.949 nan 8.310 nan 0.000 0.582 361 W N 1.076 122.437 121.300 0.101 0.000 2.354 361 W HA -0.144 4.517 4.660 0.001 0.000 0.315 361 W C 1.305 177.936 176.519 0.186 0.000 1.206 361 W CA 2.027 59.452 57.345 0.132 0.000 1.290 361 W CB -0.860 28.646 29.460 0.076 0.000 1.152 361 W HN 0.715 nan 8.180 nan 0.000 0.489 362 D N 0.590 121.225 120.400 0.391 0.000 2.149 362 D HA -0.220 4.421 4.640 0.001 0.000 0.194 362 D C 1.479 177.898 176.300 0.199 0.000 1.001 362 D CA 2.050 56.229 54.000 0.298 0.000 0.849 362 D CB -0.600 40.341 40.800 0.234 0.000 0.939 362 D HN 0.179 nan 8.370 nan 0.000 0.449 363 D N 0.279 120.761 120.400 0.136 0.000 2.091 363 D HA -0.042 4.599 4.640 0.001 0.000 0.199 363 D C 2.097 178.425 176.300 0.047 0.000 0.980 363 D CA 1.411 55.462 54.000 0.084 0.000 0.831 363 D CB -0.517 40.326 40.800 0.073 0.000 0.987 363 D HN 0.126 nan 8.370 nan 0.000 0.460 364 A N 1.021 123.847 122.820 0.011 0.000 1.865 364 A HA -0.206 4.114 4.320 0.001 0.000 0.217 364 A C 2.183 179.710 177.584 -0.095 0.000 1.191 364 A CA 1.428 53.428 52.037 -0.062 0.000 0.623 364 A CB -1.375 17.558 19.000 -0.112 0.000 0.826 364 A HN 0.474 nan 8.150 nan 0.000 0.444 365 W N 0.605 121.707 121.300 -0.331 0.000 2.331 365 W HA -0.195 4.466 4.660 0.001 0.000 0.291 365 W C 2.133 178.610 176.519 -0.070 0.000 1.214 365 W CA 1.754 58.945 57.345 -0.257 0.000 1.228 365 W CB -0.114 29.197 29.460 -0.248 0.000 1.135 365 W HN 0.440 nan 8.180 nan 0.000 0.537 366 A N -0.170 122.665 122.820 0.024 0.000 2.248 366 A HA -0.048 4.272 4.320 0.001 0.000 0.210 366 A C 1.769 179.296 177.584 -0.094 0.000 1.174 366 A CA 1.157 53.185 52.037 -0.015 0.000 0.750 366 A CB -0.512 18.521 19.000 0.055 0.000 0.780 366 A HN 0.378 nan 8.150 nan 0.000 0.478 367 I N -1.433 119.051 120.570 -0.144 0.000 3.136 367 I HA -0.084 4.087 4.170 0.001 0.000 0.262 367 I C 2.755 178.732 176.117 -0.233 0.000 1.132 367 I CA 1.248 62.456 61.300 -0.153 0.000 1.450 367 I CB -0.362 37.567 38.000 -0.119 0.000 1.315 367 I HN 0.414 nan 8.210 nan 0.000 0.460 368 T N -1.166 113.222 114.554 -0.277 0.000 2.746 368 T HA -0.191 4.160 4.350 0.001 0.000 0.267 368 T C 1.944 176.494 174.700 -0.250 0.000 1.039 368 T CA 1.673 63.631 62.100 -0.236 0.000 1.142 368 T CB -0.707 68.051 68.868 -0.185 0.000 0.866 368 T HN 0.352 nan 8.240 nan 0.000 0.444 369 S N 0.834 116.214 115.700 -0.533 0.000 2.555 369 S HA 0.096 4.566 4.470 0.001 0.000 0.230 369 S C 1.574 176.115 174.600 -0.098 0.000 0.978 369 S CA 0.197 58.155 58.200 -0.403 0.000 0.934 369 S CB -0.426 62.355 63.200 -0.698 0.000 0.766 369 S HN 0.642 nan 8.310 nan 0.000 0.533 370 K N -0.046 120.266 120.400 -0.146 0.000 2.414 370 K HA 0.246 4.566 4.320 0.001 0.000 0.204 370 K C 0.517 176.979 176.600 -0.230 0.000 1.026 370 K CA 0.279 56.430 56.287 -0.227 0.000 1.108 370 K CB 0.668 33.023 32.500 -0.242 0.000 0.855 370 K HN 0.326 nan 8.250 nan 0.000 0.517 371 T N -0.354 114.157 114.554 -0.072 0.000 3.019 371 T HA 0.214 4.565 4.350 0.001 0.000 0.247 371 T C -0.040 174.653 174.700 -0.012 0.000 0.992 371 T CA 0.080 62.078 62.100 -0.171 0.000 1.036 371 T CB 0.188 68.746 68.868 -0.515 0.000 1.063 371 T HN -0.103 nan 8.240 nan 0.000 0.476 372 F N 2.159 122.219 119.950 0.184 0.000 2.394 372 F HA 0.717 5.244 4.527 0.001 0.000 0.340 372 F C 0.401 176.133 175.800 -0.114 0.000 1.105 372 F CA -1.421 56.610 58.000 0.052 0.000 1.124 372 F CB 0.897 39.865 39.000 -0.054 0.000 1.145 372 F HN 0.044 nan 8.300 nan 0.000 0.505 373 A N 3.377 126.215 122.820 0.030 0.000 2.486 373 A HA 0.671 4.992 4.320 0.001 0.000 0.300 373 A C -2.170 175.443 177.584 0.049 0.000 1.048 373 A CA -0.626 51.267 52.037 -0.239 0.000 0.696 373 A CB 1.116 19.925 19.000 -0.319 0.000 1.278 373 A HN 0.701 nan 8.150 nan 0.000 0.405 374 Y N 0.876 121.097 120.300 -0.130 0.000 2.462 374 Y HA 0.738 5.289 4.550 0.001 0.000 0.346 374 Y C -0.571 175.342 175.900 0.022 0.000 0.976 374 Y CA -0.616 57.463 58.100 -0.036 0.000 1.044 374 Y CB 2.057 40.471 38.460 -0.078 0.000 1.230 374 Y HN 0.518 nan 8.280 nan 0.000 0.455 375 T N 6.438 120.824 114.554 -0.281 0.000 2.758 375 T HA 0.223 4.574 4.350 0.001 0.000 0.285 375 T C -0.714 173.627 174.700 -0.598 0.000 0.981 375 T CA -0.795 61.096 62.100 -0.347 0.000 0.965 375 T CB 0.115 68.987 68.868 0.006 0.000 0.927 375 T HN 0.681 nan 8.240 nan 0.000 0.448 376 N N 2.358 120.676 118.700 -0.636 0.000 2.455 376 N HA 0.103 4.844 4.740 0.001 0.000 0.280 376 N C -0.093 175.361 175.510 -0.094 0.000 1.055 376 N CA -0.315 52.581 53.050 -0.257 0.000 0.961 376 N CB 0.722 39.174 38.487 -0.058 0.000 1.121 376 N HN 0.671 nan 8.380 nan 0.000 0.476 377 H N 1.603 120.751 119.070 0.129 0.000 2.785 377 H HA 0.165 4.721 4.556 0.001 0.000 0.268 377 H C -0.123 175.229 175.328 0.040 0.000 1.153 377 H CA -0.190 55.876 56.048 0.029 0.000 1.111 377 H CB 0.808 30.590 29.762 0.033 0.000 1.633 377 H HN 0.452 nan 8.280 nan 0.000 0.576 378 T N 0.528 115.222 114.554 0.234 0.000 2.927 378 T HA 0.335 4.686 4.350 0.001 0.000 0.281 378 T C 1.498 176.295 174.700 0.162 0.000 0.998 378 T CA -0.502 61.694 62.100 0.160 0.000 1.019 378 T CB 2.191 71.144 68.868 0.142 0.000 1.061 378 T HN 0.111 nan 8.240 nan 0.000 0.518 379 L N -0.567 120.690 121.223 0.057 0.000 2.694 379 L HA 0.385 4.726 4.340 0.001 0.000 0.228 379 L C 0.448 177.294 176.870 -0.039 0.000 1.048 379 L CA 0.214 55.067 54.840 0.021 0.000 0.887 379 L CB 0.283 42.335 42.059 -0.011 0.000 1.265 379 L HN 0.399 nan 8.230 nan 0.000 0.492 380 M N 0.406 119.983 119.600 -0.037 0.000 2.404 380 M HA 0.295 4.776 4.480 0.001 0.000 0.338 380 M C -1.850 174.424 176.300 -0.044 0.000 1.150 380 M CA -1.631 53.641 55.300 -0.048 0.000 1.016 380 M CB 1.761 34.341 32.600 -0.034 0.000 1.672 380 M HN -0.302 nan 8.290 nan 0.000 0.448 381 P HA -0.115 nan 4.420 nan 0.000 0.225 381 P C 0.433 177.729 177.300 -0.006 0.000 1.148 381 P CA 1.163 64.239 63.100 -0.041 0.000 0.779 381 P CB 0.229 31.897 31.700 -0.053 0.000 0.780 382 E N -0.308 119.886 120.200 -0.010 0.000 2.208 382 E HA -0.042 4.309 4.350 0.001 0.000 0.193 382 E C 2.005 178.599 176.600 -0.010 0.000 0.988 382 E CA 1.111 57.508 56.400 -0.004 0.000 0.828 382 E CB -1.010 28.687 29.700 -0.005 0.000 0.763 382 E HN 0.169 nan 8.360 nan 0.000 0.478 383 A N 0.392 123.208 122.820 -0.008 0.000 2.208 383 A HA 0.094 4.414 4.320 0.001 0.000 0.209 383 A C 0.649 178.224 177.584 -0.014 0.000 1.161 383 A CA -0.060 51.971 52.037 -0.011 0.000 0.782 383 A CB -0.414 18.588 19.000 0.003 0.000 0.816 383 A HN 0.129 nan 8.150 nan 0.000 0.477 384 L N 1.356 122.582 121.223 0.004 0.000 2.499 384 L HA 0.045 4.386 4.340 0.001 0.000 0.273 384 L C 0.409 177.253 176.870 -0.044 0.000 1.195 384 L CA -0.184 54.668 54.840 0.021 0.000 0.882 384 L CB 0.189 42.294 42.059 0.078 0.000 1.133 384 L HN 0.322 nan 8.230 nan 0.000 0.483 385 E N 3.972 124.121 120.200 -0.084 0.000 2.415 385 E HA 0.127 4.478 4.350 0.001 0.000 0.263 385 E C -0.419 176.047 176.600 -0.224 0.000 0.995 385 E CA 0.356 56.632 56.400 -0.207 0.000 0.915 385 E CB 0.707 30.302 29.700 -0.176 0.000 0.951 385 E HN 0.433 nan 8.360 nan 0.000 0.449 386 R N 2.569 122.824 120.500 -0.407 0.000 2.725 386 R HA 0.431 4.772 4.340 0.001 0.000 0.277 386 R C -1.343 174.613 176.300 -0.573 0.000 0.987 386 R CA -0.721 55.145 56.100 -0.391 0.000 0.901 386 R CB 1.473 31.572 30.300 -0.335 0.000 1.207 386 R HN 0.446 nan 8.270 nan 0.000 0.463 387 W N 0.836 122.062 121.300 -0.123 0.000 2.915 387 W HA 0.290 4.951 4.660 0.001 0.000 0.337 387 W C -0.690 175.772 176.519 -0.094 0.000 1.102 387 W CA -0.659 56.637 57.345 -0.081 0.000 1.224 387 W CB 1.521 30.948 29.460 -0.055 0.000 1.416 387 W HN 0.329 nan 8.180 nan 0.000 0.503 388 D N 1.320 121.836 120.400 0.194 0.000 2.424 388 D HA 0.024 4.665 4.640 0.001 0.000 0.244 388 D C 1.383 177.731 176.300 0.081 0.000 1.134 388 D CA 0.065 54.116 54.000 0.085 0.000 0.881 388 D CB 1.574 42.419 40.800 0.076 0.000 1.191 388 D HN 0.325 nan 8.370 nan 0.000 0.445 389 V N 1.693 121.631 119.914 0.041 0.000 2.594 389 V HA -0.253 3.868 4.120 0.001 0.000 0.253 389 V C 2.027 178.135 176.094 0.023 0.000 1.069 389 V CA 1.656 63.976 62.300 0.034 0.000 1.082 389 V CB -0.564 31.276 31.823 0.028 0.000 0.680 389 V HN 0.501 nan 8.190 nan 0.000 0.469 390 K N 0.237 120.652 120.400 0.025 0.000 2.009 390 K HA -0.165 4.156 4.320 0.001 0.000 0.210 390 K C 2.170 178.778 176.600 0.013 0.000 1.049 390 K CA 2.266 58.565 56.287 0.019 0.000 0.929 390 K CB -0.425 32.089 32.500 0.023 0.000 0.714 390 K HN 0.558 nan 8.250 nan 0.000 0.440 391 L N 0.516 121.756 121.223 0.027 0.000 1.955 391 L HA -0.231 4.110 4.340 0.001 0.000 0.213 391 L C 2.265 179.103 176.870 -0.053 0.000 1.072 391 L CA 1.572 56.415 54.840 0.004 0.000 0.755 391 L CB -0.334 41.758 42.059 0.054 0.000 0.888 391 L HN 0.116 nan 8.230 nan 0.000 0.432 392 V N -0.233 119.648 119.914 -0.055 0.000 2.380 392 V HA -0.360 3.760 4.120 0.001 0.000 0.251 392 V C 2.433 178.471 176.094 -0.094 0.000 1.063 392 V CA 2.272 64.508 62.300 -0.107 0.000 1.055 392 V CB -0.843 30.940 31.823 -0.066 0.000 0.657 392 V HN 0.493 nan 8.190 nan 0.000 0.455 393 K N 0.518 120.888 120.400 -0.049 0.000 2.103 393 K HA -0.079 4.242 4.320 0.001 0.000 0.204 393 K C 2.125 178.701 176.600 -0.041 0.000 1.052 393 K CA 1.466 57.727 56.287 -0.043 0.000 0.945 393 K CB -0.381 32.110 32.500 -0.015 0.000 0.722 393 K HN 0.491 nan 8.250 nan 0.000 0.443 394 G N 1.237 110.020 108.800 -0.028 0.000 2.411 394 G HA2 -0.123 3.838 3.960 0.001 0.000 0.213 394 G HA3 -0.123 3.838 3.960 0.001 0.000 0.213 394 G C 1.366 176.263 174.900 -0.005 0.000 1.166 394 G CA -0.085 45.011 45.100 -0.006 0.000 0.802 394 G HN 0.165 nan 8.290 nan 0.000 0.533 395 L N -0.228 120.968 121.223 -0.045 0.000 2.023 395 L HA 0.207 4.547 4.340 0.001 0.000 0.205 395 L C 0.321 177.134 176.870 -0.095 0.000 1.073 395 L CA 1.280 56.085 54.840 -0.058 0.000 0.745 395 L CB -0.286 41.703 42.059 -0.118 0.000 0.900 395 L HN 0.043 nan 8.230 nan 0.000 0.435 396 L N 0.662 121.761 121.223 -0.207 0.000 2.495 396 L HA 0.299 4.640 4.340 0.001 0.000 0.248 396 L C -1.601 175.086 176.870 -0.304 0.000 1.229 396 L CA -1.691 52.946 54.840 -0.338 0.000 0.942 396 L CB 0.186 41.930 42.059 -0.525 0.000 1.242 396 L HN -0.086 nan 8.230 nan 0.000 0.484 397 P HA -0.220 nan 4.420 nan 0.000 0.215 397 P C 1.720 178.845 177.300 -0.291 0.000 1.163 397 P CA 1.299 64.274 63.100 -0.208 0.000 0.894 397 P CB 0.397 32.043 31.700 -0.090 0.000 0.791 398 R N -0.936 119.230 120.500 -0.557 0.000 2.096 398 R HA -0.157 4.184 4.340 0.001 0.000 0.235 398 R C 2.374 178.456 176.300 -0.362 0.000 1.127 398 R CA 1.673 57.501 56.100 -0.454 0.000 0.968 398 R CB -1.463 28.460 30.300 -0.629 0.000 0.861 398 R HN 0.343 nan 8.270 nan 0.000 0.440 399 H N -0.755 118.083 119.070 -0.388 0.000 2.387 399 H HA -0.102 4.454 4.556 0.001 0.000 0.299 399 H C 1.828 177.087 175.328 -0.115 0.000 1.090 399 H CA 1.837 57.748 56.048 -0.229 0.000 1.332 399 H CB -0.073 29.515 29.762 -0.291 0.000 1.386 399 H HN 0.221 nan 8.280 nan 0.000 0.516 400 M N 1.367 120.951 119.600 -0.026 0.000 2.159 400 M HA -0.164 4.317 4.480 0.001 0.000 0.263 400 M C 2.142 178.449 176.300 0.012 0.000 1.063 400 M CA 1.471 56.768 55.300 -0.005 0.000 1.110 400 M CB -0.053 32.529 32.600 -0.031 0.000 1.374 400 M HN 0.191 nan 8.290 nan 0.000 0.411 401 Q N -0.379 119.414 119.800 -0.011 0.000 1.993 401 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 401 Q C 2.079 178.111 176.000 0.053 0.000 0.984 401 Q CA 2.070 57.877 55.803 0.007 0.000 0.837 401 Q CB -0.484 28.250 28.738 -0.006 0.000 0.902 401 Q HN 0.513 nan 8.270 nan 0.000 0.423 402 I N 0.775 121.409 120.570 0.106 0.000 2.194 402 I HA -0.327 3.843 4.170 0.001 0.000 0.246 402 I C 2.265 178.556 176.117 0.289 0.000 1.093 402 I CA 1.316 62.786 61.300 0.283 0.000 1.355 402 I CB -0.359 37.810 38.000 0.282 0.000 1.046 402 I HN 0.206 nan 8.210 nan 0.000 0.413 403 I N 0.481 121.162 120.570 0.185 0.000 2.179 403 I HA -0.300 3.871 4.170 0.001 0.000 0.242 403 I C 2.304 178.504 176.117 0.137 0.000 1.088 403 I CA 1.319 62.720 61.300 0.167 0.000 1.357 403 I CB -0.515 37.555 38.000 0.117 0.000 1.051 403 I HN 0.311 nan 8.210 nan 0.000 0.409 404 N N 0.504 119.258 118.700 0.091 0.000 2.120 404 N HA -0.222 4.518 4.740 0.001 0.000 0.188 404 N C 1.781 177.300 175.510 0.014 0.000 1.024 404 N CA 1.297 54.387 53.050 0.067 0.000 0.852 404 N CB -0.316 38.193 38.487 0.037 0.000 1.003 404 N HN 0.318 nan 8.380 nan 0.000 0.424 405 E N 1.311 121.467 120.200 -0.074 0.000 2.033 405 E HA -0.123 4.228 4.350 0.001 0.000 0.199 405 E C 1.991 178.418 176.600 -0.288 0.000 1.011 405 E CA 1.229 57.432 56.400 -0.328 0.000 0.815 405 E CB -0.529 28.807 29.700 -0.607 0.000 0.755 405 E HN 0.345 nan 8.360 nan 0.000 0.451 406 I N 0.733 121.292 120.570 -0.018 0.000 2.185 406 I HA -0.349 3.822 4.170 0.001 0.000 0.246 406 I C 2.368 178.565 176.117 0.134 0.000 1.088 406 I CA 1.677 63.048 61.300 0.118 0.000 1.347 406 I CB -0.535 37.637 38.000 0.287 0.000 1.041 406 I HN 0.227 nan 8.210 nan 0.000 0.415 407 N N 0.128 118.935 118.700 0.178 0.000 2.142 407 N HA -0.192 4.549 4.740 0.001 0.000 0.186 407 N C 1.984 177.689 175.510 0.324 0.000 1.023 407 N CA 2.081 55.319 53.050 0.314 0.000 0.852 407 N CB -0.240 38.416 38.487 0.281 0.000 0.998 407 N HN 0.493 nan 8.380 nan 0.000 0.424 408 T N -0.680 113.951 114.554 0.128 0.000 2.812 408 T HA -0.045 4.305 4.350 0.001 0.000 0.264 408 T C 1.846 176.540 174.700 -0.010 0.000 1.042 408 T CA 0.644 62.767 62.100 0.039 0.000 1.140 408 T CB -0.157 68.684 68.868 -0.044 0.000 0.870 408 T HN 0.101 nan 8.240 nan 0.000 0.445 409 R N 0.075 120.539 120.500 -0.059 0.000 2.081 409 R HA -0.008 4.333 4.340 0.001 0.000 0.235 409 R C 2.157 178.521 176.300 0.107 0.000 1.131 409 R CA 1.226 57.290 56.100 -0.060 0.000 0.960 409 R CB -1.396 28.798 30.300 -0.177 0.000 0.856 409 R HN 0.495 nan 8.270 nan 0.000 0.436 410 F N 2.562 122.566 119.950 0.089 0.000 2.216 410 F HA -0.150 4.378 4.527 0.001 0.000 0.300 410 F C 2.422 178.338 175.800 0.193 0.000 1.085 410 F CA 1.332 59.480 58.000 0.246 0.000 1.326 410 F CB -0.179 39.067 39.000 0.409 0.000 1.027 410 F HN -0.085 nan 8.300 nan 0.000 0.497 411 K N -0.552 119.780 120.400 -0.112 0.000 2.097 411 K HA -0.162 4.159 4.320 0.001 0.000 0.206 411 K C 1.972 178.271 176.600 -0.501 0.000 1.049 411 K CA 1.854 57.644 56.287 -0.828 0.000 0.933 411 K CB -0.319 31.520 32.500 -1.101 0.000 0.717 411 K HN 0.230 nan 8.250 nan 0.000 0.442 412 T N 1.749 116.141 114.554 -0.270 0.000 2.607 412 T HA -0.208 4.143 4.350 0.001 0.000 0.267 412 T C 1.703 176.305 174.700 -0.163 0.000 1.049 412 T CA 1.604 63.594 62.100 -0.184 0.000 1.162 412 T CB -0.307 68.498 68.868 -0.106 0.000 0.863 412 T HN 0.179 nan 8.240 nan 0.000 0.424 413 L N 1.023 122.169 121.223 -0.128 0.000 1.990 413 L HA -0.129 4.212 4.340 0.001 0.000 0.213 413 L C 2.510 179.288 176.870 -0.153 0.000 1.072 413 L CA 1.516 56.297 54.840 -0.097 0.000 0.755 413 L CB -0.608 41.463 42.059 0.019 0.000 0.889 413 L HN 0.101 nan 8.230 nan 0.000 0.432 414 V N -0.440 119.309 119.914 -0.275 0.000 2.233 414 V HA -0.346 3.775 4.120 0.001 0.000 0.247 414 V C 2.379 178.497 176.094 0.040 0.000 1.050 414 V CA 2.263 64.534 62.300 -0.049 0.000 1.010 414 V CB -0.759 30.984 31.823 -0.132 0.000 0.637 414 V HN 0.501 nan 8.190 nan 0.000 0.444 415 E N 0.040 120.154 120.200 -0.144 0.000 2.401 415 E HA -0.238 4.113 4.350 0.001 0.000 0.199 415 E C 2.135 178.682 176.600 -0.088 0.000 1.023 415 E CA 1.172 57.500 56.400 -0.120 0.000 0.859 415 E CB -0.060 29.512 29.700 -0.213 0.000 0.780 415 E HN 0.774 nan 8.360 nan 0.000 0.523 416 K N -0.562 119.776 120.400 -0.104 0.000 2.284 416 K HA 0.091 4.411 4.320 0.001 0.000 0.198 416 K C 1.780 178.283 176.600 -0.162 0.000 1.048 416 K CA 0.869 57.089 56.287 -0.112 0.000 0.987 416 K CB 0.231 32.671 32.500 -0.101 0.000 0.800 416 K HN -0.168 nan 8.250 nan 0.000 0.486 417 T N 0.272 114.691 114.554 -0.225 0.000 2.781 417 T HA 0.019 4.370 4.350 0.001 0.000 0.252 417 T C -0.018 174.411 174.700 -0.451 0.000 1.039 417 T CA 0.511 62.316 62.100 -0.491 0.000 1.147 417 T CB -0.015 68.278 68.868 -0.959 0.000 0.865 417 T HN 0.301 nan 8.240 nan 0.000 0.423 418 W N 2.223 123.456 121.300 -0.113 0.000 2.347 418 W HA 0.327 4.988 4.660 0.001 0.000 0.321 418 W C -2.546 173.915 176.519 -0.096 0.000 0.971 418 W CA -2.318 54.972 57.345 -0.091 0.000 1.508 418 W CB 0.143 29.555 29.460 -0.080 0.000 1.299 418 W HN 0.281 nan 8.180 nan 0.000 0.399 419 P HA -0.083 nan 4.420 nan 0.000 0.221 419 P C 1.507 178.820 177.300 0.021 0.000 1.150 419 P CA 0.961 64.069 63.100 0.013 0.000 0.800 419 P CB 0.364 32.052 31.700 -0.019 0.000 0.787 420 G N 1.691 110.526 108.800 0.058 0.000 2.818 420 G HA2 -0.049 3.912 3.960 0.001 0.000 0.235 420 G HA3 -0.049 3.912 3.960 0.001 0.000 0.235 420 G C 0.210 175.128 174.900 0.029 0.000 1.244 420 G CA -0.215 44.911 45.100 0.044 0.000 0.853 420 G HN 0.248 nan 8.290 nan 0.000 0.596 421 D N -0.394 120.019 120.400 0.021 0.000 2.278 421 D HA -0.088 4.553 4.640 0.001 0.000 0.240 421 D C 1.141 177.469 176.300 0.048 0.000 1.347 421 D CA 0.280 54.295 54.000 0.025 0.000 0.945 421 D CB 0.505 41.319 40.800 0.023 0.000 1.175 421 D HN 0.592 nan 8.370 nan 0.000 0.519 422 E N 0.288 120.535 120.200 0.078 0.000 2.063 422 E HA -0.327 4.023 4.350 0.001 0.000 0.221 422 E C 1.496 178.125 176.600 0.048 0.000 1.052 422 E CA 1.867 58.344 56.400 0.128 0.000 0.891 422 E CB 0.046 29.819 29.700 0.122 0.000 0.792 422 E HN 0.327 nan 8.360 nan 0.000 0.482 423 K N -0.699 119.697 120.400 -0.007 0.000 2.191 423 K HA -0.344 3.977 4.320 0.001 0.000 0.198 423 K C 1.965 178.486 176.600 -0.131 0.000 0.707 423 K CA 2.126 58.373 56.287 -0.066 0.000 1.070 423 K CB -1.628 30.839 32.500 -0.055 0.000 0.761 423 K HN 0.227 nan 8.250 nan 0.000 0.757 424 V N 0.693 120.506 119.914 -0.169 0.000 2.220 424 V HA -0.288 3.832 4.120 0.001 0.000 0.250 424 V C 2.282 178.230 176.094 -0.243 0.000 1.056 424 V CA 2.552 64.660 62.300 -0.320 0.000 1.016 424 V CB -0.658 30.828 31.823 -0.561 0.000 0.639 424 V HN 0.551 nan 8.190 nan 0.000 0.446 425 W N 0.651 121.772 121.300 -0.300 0.000 2.304 425 W HA -0.325 4.336 4.660 0.001 0.000 0.315 425 W C 2.364 178.724 176.519 -0.265 0.000 1.233 425 W CA 1.989 59.197 57.345 -0.229 0.000 1.261 425 W CB -0.198 29.176 29.460 -0.143 0.000 1.150 425 W HN 0.333 nan 8.180 nan 0.000 0.494 426 A N 0.324 122.860 122.820 -0.473 0.000 2.015 426 A HA -0.219 4.102 4.320 0.001 0.000 0.219 426 A C 2.002 179.164 177.584 -0.703 0.000 1.163 426 A CA 1.805 53.290 52.037 -0.920 0.000 0.646 426 A CB -0.790 17.785 19.000 -0.708 0.000 0.806 426 A HN 0.408 nan 8.150 nan 0.000 0.448 427 K N -0.382 119.751 120.400 -0.445 0.000 2.116 427 K HA 0.100 4.421 4.320 0.001 0.000 0.203 427 K C 1.302 177.706 176.600 -0.326 0.000 1.052 427 K CA 0.829 56.916 56.287 -0.333 0.000 0.952 427 K CB -0.147 32.198 32.500 -0.258 0.000 0.729 427 K HN 0.463 nan 8.250 nan 0.000 0.446 428 L N 0.942 121.945 121.223 -0.366 0.000 2.592 428 L HA 0.190 4.531 4.340 0.001 0.000 0.227 428 L C 0.401 177.195 176.870 -0.126 0.000 1.127 428 L CA -0.399 54.332 54.840 -0.182 0.000 0.884 428 L CB 0.324 42.319 42.059 -0.107 0.000 1.065 428 L HN 0.086 nan 8.230 nan 0.000 0.457 429 A N -0.241 122.185 122.820 -0.658 0.000 2.290 429 A HA 0.403 4.723 4.320 0.001 0.000 0.310 429 A C 1.185 178.632 177.584 -0.229 0.000 1.202 429 A CA -0.441 51.159 52.037 -0.728 0.000 0.837 429 A CB 1.243 19.430 19.000 -1.354 0.000 1.139 429 A HN -0.043 nan 8.150 nan 0.000 0.509 430 V N 2.657 122.578 119.914 0.012 0.000 2.219 430 V HA -0.170 3.951 4.120 0.001 0.000 0.248 430 V C 1.050 177.296 176.094 0.254 0.000 1.053 430 V CA 1.893 64.275 62.300 0.136 0.000 1.009 430 V CB -0.668 31.245 31.823 0.150 0.000 0.636 430 V HN 0.594 nan 8.190 nan 0.000 0.445 431 V N 0.859 120.905 119.914 0.220 0.000 2.350 431 V HA 0.564 4.685 4.120 0.001 0.000 0.276 431 V C -0.507 175.743 176.094 0.260 0.000 1.028 431 V CA -0.298 62.143 62.300 0.234 0.000 0.860 431 V CB 0.673 32.603 31.823 0.179 0.000 0.990 431 V HN 0.701 nan 8.190 nan 0.000 0.453 432 H N 2.426 121.607 119.070 0.185 0.000 3.112 432 H HA 0.423 4.980 4.556 0.001 0.000 0.347 432 H C -0.575 174.848 175.328 0.159 0.000 1.188 432 H CA -0.031 56.082 56.048 0.110 0.000 1.240 432 H CB 1.626 31.343 29.762 -0.075 0.000 1.920 432 H HN 0.766 nan 8.280 nan 0.000 0.535 438 Q N 0.818 120.597 119.800 -0.034 0.000 2.345 438 Q HA 0.441 4.781 4.340 0.001 0.000 0.275 438 Q C -1.001 174.915 176.000 -0.139 0.000 1.063 438 Q CA -0.976 54.757 55.803 -0.117 0.000 0.819 438 Q CB 3.411 31.992 28.738 -0.261 0.000 1.356 438 Q HN -0.072 nan 8.270 nan 0.000 0.418 439 V N 2.189 122.046 119.914 -0.095 0.000 2.465 439 V HA 0.237 4.358 4.120 0.001 0.000 0.279 439 V C -0.358 175.658 176.094 -0.129 0.000 1.045 439 V CA -0.565 61.731 62.300 -0.006 0.000 0.938 439 V CB 0.936 32.814 31.823 0.091 0.000 0.986 439 V HN 0.693 nan 8.190 nan 0.000 0.467 440 H N 6.222 125.326 119.070 0.057 0.000 2.724 440 H HA 0.259 4.816 4.556 0.001 0.000 0.278 440 H C 0.437 175.767 175.328 0.003 0.000 1.159 440 H CA -0.739 55.326 56.048 0.028 0.000 1.254 440 H CB 1.426 31.210 29.762 0.036 0.000 1.412 440 H HN 0.535 nan 8.280 nan 0.000 0.488 441 M N 1.504 121.143 119.600 0.066 0.000 2.117 441 M HA -0.111 4.370 4.480 0.001 0.000 0.262 441 M C 2.466 178.691 176.300 -0.125 0.000 1.065 441 M CA 1.048 56.343 55.300 -0.009 0.000 1.114 441 M CB -1.086 31.527 32.600 0.021 0.000 1.361 441 M HN 0.636 nan 8.290 nan 0.000 0.408 442 A N 1.168 123.944 122.820 -0.073 0.000 1.859 442 A HA -0.236 4.085 4.320 0.001 0.000 0.217 442 A C 2.097 179.583 177.584 -0.163 0.000 1.198 442 A CA 2.272 54.253 52.037 -0.094 0.000 0.629 442 A CB -1.003 18.115 19.000 0.196 0.000 0.830 442 A HN 0.493 nan 8.150 nan 0.000 0.446 443 N N -0.351 118.327 118.700 -0.037 0.000 2.104 443 N HA -0.134 4.606 4.740 0.001 0.000 0.190 443 N C 1.499 176.874 175.510 -0.225 0.000 1.024 443 N CA 1.361 54.333 53.050 -0.130 0.000 0.853 443 N CB -0.608 37.918 38.487 0.065 0.000 1.008 443 N HN 0.363 nan 8.380 nan 0.000 0.424 444 L N 0.898 122.043 121.223 -0.130 0.000 2.046 444 L HA -0.117 4.223 4.340 0.001 0.000 0.208 444 L C 2.078 178.810 176.870 -0.230 0.000 1.077 444 L CA 1.359 56.122 54.840 -0.129 0.000 0.747 444 L CB -0.971 41.050 42.059 -0.063 0.000 0.896 444 L HN 0.191 nan 8.230 nan 0.000 0.432 445 C N -2.044 117.046 119.300 -0.350 0.000 2.429 445 C HA -0.130 4.330 4.460 0.001 0.000 0.277 445 C C 2.762 177.531 174.990 -0.368 0.000 1.262 445 C CA 0.874 59.643 59.018 -0.415 0.000 1.733 445 C CB -0.859 26.404 27.740 -0.795 0.000 2.010 445 C HN 0.445 nan 8.230 nan 0.000 0.483 446 V N 0.677 120.300 119.914 -0.485 0.000 2.307 446 V HA -0.156 3.964 4.120 0.001 0.000 0.245 446 V C 2.361 178.095 176.094 -0.600 0.000 1.045 446 V CA 2.045 63.977 62.300 -0.614 0.000 1.024 446 V CB -0.543 30.685 31.823 -0.992 0.000 0.651 446 V HN 0.462 nan 8.190 nan 0.000 0.449 447 V N 0.649 120.276 119.914 -0.478 0.000 2.667 447 V HA -0.020 4.100 4.120 0.001 0.000 0.252 447 V C 2.390 178.442 176.094 -0.071 0.000 1.065 447 V CA 1.813 63.906 62.300 -0.345 0.000 1.083 447 V CB -0.916 30.662 31.823 -0.407 0.000 0.692 447 V HN 0.596 nan 8.190 nan 0.000 0.468 448 G N -0.462 108.290 108.800 -0.080 0.000 2.838 448 G HA2 0.336 4.297 3.960 0.001 0.000 0.210 448 G HA3 0.336 4.297 3.960 0.001 0.000 0.210 448 G C 0.654 175.433 174.900 -0.202 0.000 1.153 448 G CA 0.652 45.733 45.100 -0.032 0.000 0.778 448 G HN 0.620 nan 8.290 nan 0.000 0.539 449 G N -0.608 108.074 108.800 -0.197 0.000 2.597 449 G HA2 0.465 4.425 3.960 0.001 0.000 0.317 449 G HA3 0.465 4.425 3.960 0.001 0.000 0.317 449 G C 0.196 175.002 174.900 -0.157 0.000 1.230 449 G CA -0.654 44.372 45.100 -0.124 0.000 0.996 449 G HN 0.245 nan 8.290 nan 0.000 0.490 450 F N -1.650 118.223 119.950 -0.128 0.000 2.704 450 F HA 0.735 5.263 4.527 0.001 0.000 0.304 450 F C 0.495 176.237 175.800 -0.096 0.000 1.094 450 F CA -0.464 57.455 58.000 -0.134 0.000 1.275 450 F CB 0.364 39.324 39.000 -0.068 0.000 1.073 450 F HN 0.550 nan 8.300 nan 0.000 0.586 451 A N 0.692 123.080 122.820 -0.719 0.000 2.517 451 A HA 0.723 5.044 4.320 0.001 0.000 0.297 451 A C -1.648 175.706 177.584 -0.382 0.000 1.050 451 A CA -0.632 51.119 52.037 -0.477 0.000 0.694 451 A CB 1.410 20.059 19.000 -0.585 0.000 1.277 451 A HN 0.040 nan 8.150 nan 0.000 0.400 452 V N 3.932 123.623 119.914 -0.372 0.000 2.656 452 V HA 0.643 4.764 4.120 0.001 0.000 0.307 452 V C -0.497 175.522 176.094 -0.125 0.000 1.051 452 V CA -0.650 61.447 62.300 -0.337 0.000 0.893 452 V CB 1.911 33.424 31.823 -0.516 0.000 0.999 452 V HN 1.075 nan 8.190 nan 0.000 0.426 453 N N 2.492 121.129 118.700 -0.104 0.000 2.525 453 N HA 0.641 5.381 4.740 0.001 0.000 0.270 453 N C -0.535 174.964 175.510 -0.018 0.000 1.321 453 N CA -0.404 52.645 53.050 -0.002 0.000 0.797 453 N CB 2.763 41.256 38.487 0.010 0.000 1.529 453 N HN 0.689 nan 8.380 nan 0.000 0.491 454 G N -1.049 107.772 108.800 0.035 0.000 2.597 454 G HA2 0.478 4.439 3.960 0.001 0.000 0.317 454 G HA3 0.478 4.439 3.960 0.001 0.000 0.317 454 G C 0.579 175.580 174.900 0.168 0.000 1.230 454 G CA -0.506 44.693 45.100 0.165 0.000 0.996 454 G HN 0.658 nan 8.290 nan 0.000 0.490 455 V N -3.663 116.404 119.914 0.255 0.000 3.427 455 V HA 0.697 4.818 4.120 0.001 0.000 0.305 455 V C 0.515 176.667 176.094 0.095 0.000 1.412 455 V CA 0.296 62.647 62.300 0.085 0.000 1.086 455 V CB -0.571 31.246 31.823 -0.011 0.000 0.964 455 V HN 1.395 nan 8.190 nan 0.000 0.439 456 A N -0.645 122.268 122.820 0.156 0.000 2.577 456 A HA 0.854 5.175 4.320 0.001 0.000 0.297 456 A C 0.784 178.434 177.584 0.111 0.000 1.060 456 A CA 0.036 52.145 52.037 0.119 0.000 0.697 456 A CB 1.102 20.157 19.000 0.092 0.000 1.281 456 A HN 0.915 nan 8.150 nan 0.000 0.402 457 A N 1.182 124.042 122.820 0.066 0.000 1.870 457 A HA -0.134 4.187 4.320 0.001 0.000 0.219 457 A C 1.889 179.486 177.584 0.023 0.000 1.224 457 A CA 2.192 54.250 52.037 0.034 0.000 0.650 457 A CB -1.103 17.912 19.000 0.025 0.000 0.836 457 A HN 1.065 nan 8.150 nan 0.000 0.454 458 L N -1.749 119.493 121.223 0.032 0.000 2.042 458 L HA -0.253 4.087 4.340 0.001 0.000 0.210 458 L C 2.695 179.575 176.870 0.016 0.000 1.076 458 L CA 1.996 56.845 54.840 0.015 0.000 0.749 458 L CB -0.763 41.308 42.059 0.020 0.000 0.893 458 L HN 0.757 nan 8.230 nan 0.000 0.432 459 H N -0.250 118.804 119.070 -0.026 0.000 2.352 459 H HA -0.155 4.402 4.556 0.001 0.000 0.299 459 H C 2.299 177.607 175.328 -0.033 0.000 1.097 459 H CA 1.992 58.020 56.048 -0.032 0.000 1.311 459 H CB 0.025 29.772 29.762 -0.024 0.000 1.377 459 H HN 0.164 nan 8.280 nan 0.000 0.504 460 S N 0.074 115.658 115.700 -0.192 0.000 2.402 460 S HA -0.125 4.346 4.470 0.001 0.000 0.229 460 S C 1.591 176.086 174.600 -0.175 0.000 1.021 460 S CA 0.999 59.082 58.200 -0.195 0.000 0.974 460 S CB -0.093 63.081 63.200 -0.044 0.000 0.800 460 S HN 0.536 nan 8.310 nan 0.000 0.484 461 D N 1.937 122.260 120.400 -0.128 0.000 2.104 461 D HA -0.097 4.543 4.640 0.001 0.000 0.194 461 D C 1.855 178.060 176.300 -0.159 0.000 0.994 461 D CA 1.034 54.959 54.000 -0.124 0.000 0.830 461 D CB -0.402 40.352 40.800 -0.075 0.000 0.959 461 D HN 0.466 nan 8.370 nan 0.000 0.452 462 L N -1.114 120.010 121.223 -0.165 0.000 2.610 462 L HA 0.094 4.435 4.340 0.001 0.000 0.232 462 L C 1.739 178.467 176.870 -0.235 0.000 1.149 462 L CA 0.613 55.352 54.840 -0.170 0.000 0.872 462 L CB -0.286 41.699 42.059 -0.124 0.000 0.992 462 L HN -0.223 nan 8.230 nan 0.000 0.447 463 V N -0.960 118.775 119.914 -0.298 0.000 2.453 463 V HA -0.129 3.991 4.120 0.001 0.000 0.247 463 V C 2.329 178.311 176.094 -0.187 0.000 1.048 463 V CA 1.558 63.699 62.300 -0.265 0.000 1.049 463 V CB 0.360 32.058 31.823 -0.208 0.000 0.672 463 V HN 0.420 nan 8.190 nan 0.000 0.457 464 V N -1.215 118.552 119.914 -0.246 0.000 2.949 464 V HA -0.004 4.117 4.120 0.001 0.000 0.245 464 V C 2.191 178.142 176.094 -0.238 0.000 1.086 464 V CA 1.249 63.325 62.300 -0.373 0.000 1.097 464 V CB 0.166 31.601 31.823 -0.647 0.000 0.762 464 V HN 0.448 nan 8.190 nan 0.000 0.470 465 K N -0.264 120.027 120.400 -0.181 0.000 2.067 465 K HA -0.044 4.276 4.320 0.001 0.000 0.203 465 K C 1.554 178.091 176.600 -0.105 0.000 1.048 465 K CA 1.476 57.696 56.287 -0.112 0.000 0.954 465 K CB 0.013 32.459 32.500 -0.089 0.000 0.737 465 K HN 0.325 nan 8.250 nan 0.000 0.444 466 D N -0.166 120.154 120.400 -0.134 0.000 2.355 466 D HA 0.056 4.696 4.640 0.001 0.000 0.206 466 D C 1.614 177.804 176.300 -0.184 0.000 1.010 466 D CA 0.567 54.487 54.000 -0.134 0.000 0.875 466 D CB 0.513 41.239 40.800 -0.124 0.000 0.966 466 D HN 0.081 nan 8.370 nan 0.000 0.512 467 L N -1.142 119.912 121.223 -0.282 0.000 2.349 467 L HA 0.154 4.495 4.340 0.001 0.000 0.200 467 L C 0.108 176.699 176.870 -0.465 0.000 1.064 467 L CA 0.555 55.084 54.840 -0.518 0.000 0.821 467 L CB 0.452 41.981 42.059 -0.884 0.000 1.027 467 L HN -0.138 nan 8.230 nan 0.000 0.476 468 F N -1.159 118.825 119.950 0.057 0.000 2.577 468 F HA 0.341 4.868 4.527 0.001 0.000 0.342 468 F C -1.964 173.855 175.800 0.031 0.000 1.479 468 F CA -2.106 56.002 58.000 0.181 0.000 1.110 468 F CB -0.261 38.964 39.000 0.374 0.000 1.306 468 F HN -0.189 nan 8.300 nan 0.000 0.554 469 P HA -0.206 nan 4.420 nan 0.000 0.215 469 P C 1.514 178.896 177.300 0.136 0.000 1.157 469 P CA 1.852 65.000 63.100 0.080 0.000 0.874 469 P CB 0.264 31.979 31.700 0.026 0.000 0.790 470 E N -1.714 118.529 120.200 0.071 0.000 2.299 470 E HA -0.135 4.216 4.350 0.001 0.000 0.193 470 E C 1.793 178.480 176.600 0.144 0.000 0.998 470 E CA 0.974 57.425 56.400 0.086 0.000 0.851 470 E CB -1.142 28.421 29.700 -0.228 0.000 0.795 470 E HN 0.308 nan 8.360 nan 0.000 0.492 471 Y N 1.508 121.973 120.300 0.275 0.000 2.200 471 Y HA -0.156 4.395 4.550 0.001 0.000 0.290 471 Y C 2.595 178.767 175.900 0.453 0.000 1.137 471 Y CA 1.434 59.791 58.100 0.430 0.000 1.163 471 Y CB -0.767 38.111 38.460 0.697 0.000 0.988 471 Y HN 0.308 nan 8.280 nan 0.000 0.518 472 H N 0.084 119.278 119.070 0.208 0.000 2.352 472 H HA -0.261 4.296 4.556 0.001 0.000 0.299 472 H C 2.284 177.696 175.328 0.140 0.000 1.097 472 H CA 1.808 57.854 56.048 -0.004 0.000 1.311 472 H CB 0.077 29.668 29.762 -0.286 0.000 1.377 472 H HN 0.456 nan 8.280 nan 0.000 0.504 473 Q N 0.501 120.325 119.800 0.039 0.000 2.020 473 Q HA -0.148 4.192 4.340 0.001 0.000 0.202 473 Q C 2.668 178.601 176.000 -0.112 0.000 0.982 473 Q CA 1.723 57.490 55.803 -0.059 0.000 0.838 473 Q CB 0.018 28.808 28.738 0.087 0.000 0.899 473 Q HN 0.507 nan 8.270 nan 0.000 0.423 474 L N -0.573 120.552 121.223 -0.163 0.000 1.989 474 L HA -0.142 4.199 4.340 0.001 0.000 0.211 474 L C 0.795 177.426 176.870 -0.399 0.000 1.071 474 L CA 0.852 55.392 54.840 -0.501 0.000 0.749 474 L CB -0.334 41.034 42.059 -1.151 0.000 0.890 474 L HN 0.368 nan 8.230 nan 0.000 0.431 475 W N -0.760 120.719 121.300 0.298 0.000 2.453 475 W HA 0.328 4.989 4.660 0.001 0.000 0.298 475 W C -2.210 174.480 176.519 0.285 0.000 0.983 475 W CA -1.946 55.557 57.345 0.264 0.000 1.600 475 W CB -0.243 29.392 29.460 0.291 0.000 1.430 475 W HN -0.046 nan 8.180 nan 0.000 0.422 476 P HA -0.130 nan 4.420 nan 0.000 0.221 476 P C 1.245 178.726 177.300 0.301 0.000 1.150 476 P CA 1.624 64.818 63.100 0.157 0.000 0.800 476 P CB 0.443 32.123 31.700 -0.034 0.000 0.787 477 N N -0.928 117.929 118.700 0.262 0.000 2.398 477 N HA -0.028 4.712 4.740 0.001 0.000 0.188 477 N C 1.440 177.013 175.510 0.106 0.000 1.122 477 N CA 0.433 53.594 53.050 0.184 0.000 0.866 477 N CB -0.251 38.342 38.487 0.178 0.000 0.970 477 N HN 0.211 nan 8.380 nan 0.000 0.462 478 K N -0.055 120.463 120.400 0.196 0.000 2.148 478 K HA -0.022 4.299 4.320 0.001 0.000 0.204 478 K C -0.391 175.955 176.600 -0.425 0.000 1.050 478 K CA 0.828 57.079 56.287 -0.060 0.000 0.942 478 K CB 0.084 32.505 32.500 -0.131 0.000 0.724 478 K HN -0.080 nan 8.250 nan 0.000 0.446 479 F N 1.296 121.119 119.950 -0.212 0.000 2.410 479 F HA 0.329 4.856 4.527 0.001 0.000 0.349 479 F C 0.601 176.119 175.800 -0.471 0.000 1.117 479 F CA -0.745 57.114 58.000 -0.236 0.000 1.104 479 F CB 1.065 40.042 39.000 -0.039 0.000 1.122 479 F HN 0.017 nan 8.300 nan 0.000 0.483 480 H N 1.264 120.401 119.070 0.112 0.000 2.949 480 H HA 0.431 4.987 4.556 0.001 0.000 0.310 480 H C -1.076 174.242 175.328 -0.016 0.000 1.405 480 H CA -1.063 54.999 56.048 0.023 0.000 1.253 480 H CB 2.310 32.040 29.762 -0.053 0.000 1.932 480 H HN 0.515 nan 8.280 nan 0.000 0.602 481 N N 0.404 119.153 118.700 0.081 0.000 2.369 481 N HA 0.271 5.011 4.740 0.001 0.000 0.287 481 N C -2.000 173.442 175.510 -0.114 0.000 1.067 481 N CA -0.248 52.799 53.050 -0.006 0.000 0.888 481 N CB 2.486 40.974 38.487 0.001 0.000 1.616 481 N HN 0.209 nan 8.380 nan 0.000 0.482 482 V N 2.540 122.348 119.914 -0.176 0.000 2.462 482 V HA 0.253 4.373 4.120 0.001 0.000 0.288 482 V C 0.017 176.043 176.094 -0.114 0.000 1.020 482 V CA -0.633 61.469 62.300 -0.330 0.000 0.857 482 V CB 1.205 32.465 31.823 -0.940 0.000 1.013 482 V HN 0.665 nan 8.190 nan 0.000 0.431 483 T N 4.291 118.826 114.554 -0.031 0.000 2.888 483 T HA 0.140 4.491 4.350 0.001 0.000 0.301 483 T C 0.584 175.389 174.700 0.174 0.000 1.001 483 T CA -0.154 61.998 62.100 0.087 0.000 1.147 483 T CB 0.105 69.043 68.868 0.117 0.000 0.931 483 T HN 0.591 nan 8.240 nan 0.000 0.541 484 N N 1.316 120.153 118.700 0.227 0.000 2.273 484 N HA 0.378 5.119 4.740 0.001 0.000 0.227 484 N C 0.534 176.239 175.510 0.326 0.000 1.292 484 N CA 0.319 53.555 53.050 0.310 0.000 0.875 484 N CB 0.370 38.957 38.487 0.167 0.000 1.105 484 N HN 0.898 nan 8.380 nan 0.000 0.434 485 G N -1.235 107.788 108.800 0.371 0.000 2.695 485 G HA2 0.643 4.603 3.960 0.001 0.000 0.290 485 G HA3 0.643 4.603 3.960 0.001 0.000 0.290 485 G C -1.111 173.935 174.900 0.243 0.000 1.410 485 G CA -0.638 44.662 45.100 0.332 0.000 0.844 485 G HN 0.566 nan 8.290 nan 0.000 0.478 486 I N -2.301 118.406 120.570 0.228 0.000 3.002 486 I HA 0.870 5.041 4.170 0.001 0.000 0.310 486 I C -0.236 176.079 176.117 0.329 0.000 1.087 486 I CA -1.006 60.435 61.300 0.235 0.000 1.017 486 I CB 2.423 40.468 38.000 0.076 0.000 1.226 486 I HN 0.512 nan 8.210 nan 0.000 0.443 487 T N 2.427 117.256 114.554 0.458 0.000 2.797 487 T HA 0.579 4.930 4.350 0.001 0.000 0.279 487 T C -2.091 172.750 174.700 0.234 0.000 0.991 487 T CA -1.912 60.347 62.100 0.265 0.000 0.979 487 T CB 1.531 70.487 68.868 0.148 0.000 0.943 487 T HN 0.548 nan 8.240 nan 0.000 0.444 488 P HA 0.032 nan 4.420 nan 0.000 0.220 488 P C 1.300 178.647 177.300 0.079 0.000 1.148 488 P CA 0.568 63.777 63.100 0.183 0.000 0.803 488 P CB 0.268 32.071 31.700 0.172 0.000 0.782 489 R N -0.414 120.029 120.500 -0.095 0.000 2.082 489 R HA -0.056 4.285 4.340 0.001 0.000 0.228 489 R C 2.519 178.734 176.300 -0.142 0.000 1.140 489 R CA 1.662 57.647 56.100 -0.191 0.000 0.920 489 R CB -1.027 29.137 30.300 -0.226 0.000 0.828 489 R HN 0.049 nan 8.270 nan 0.000 0.430 490 R N -0.813 119.541 120.500 -0.244 0.000 2.090 490 R HA -0.099 4.242 4.340 0.001 0.000 0.228 490 R C 1.598 177.641 176.300 -0.428 0.000 1.110 490 R CA 1.501 57.333 56.100 -0.447 0.000 0.973 490 R CB -0.197 29.661 30.300 -0.736 0.000 0.869 490 R HN 0.321 nan 8.270 nan 0.000 0.440 491 W N -0.321 120.988 121.300 0.016 0.000 2.905 491 W HA 0.214 4.875 4.660 0.001 0.000 0.251 491 W C 1.344 177.890 176.519 0.044 0.000 1.305 491 W CA -0.346 57.015 57.345 0.026 0.000 1.465 491 W CB 0.353 29.833 29.460 0.033 0.000 1.122 491 W HN 0.091 nan 8.180 nan 0.000 0.659 492 I N -1.781 118.937 120.570 0.247 0.000 3.669 492 I HA -0.048 4.123 4.170 0.001 0.000 0.255 492 I C 2.394 178.631 176.117 0.200 0.000 1.144 492 I CA -0.178 61.251 61.300 0.216 0.000 1.447 492 I CB -0.499 37.641 38.000 0.232 0.000 1.622 492 I HN -0.448 nan 8.210 nan 0.000 0.435 493 K N 1.306 121.856 120.400 0.251 0.000 2.015 493 K HA -0.286 4.034 4.320 0.001 0.000 0.216 493 K C 2.059 178.680 176.600 0.036 0.000 1.052 493 K CA 2.204 58.598 56.287 0.178 0.000 0.937 493 K CB -0.251 32.241 32.500 -0.014 0.000 0.719 493 K HN 0.336 nan 8.250 nan 0.000 0.446 494 Q N -0.053 119.721 119.800 -0.044 0.000 2.008 494 Q HA -0.128 4.213 4.340 0.001 0.000 0.196 494 Q C 2.554 178.499 176.000 -0.092 0.000 0.973 494 Q CA 1.961 57.695 55.803 -0.114 0.000 0.826 494 Q CB -0.095 28.540 28.738 -0.171 0.000 0.894 494 Q HN 0.565 nan 8.270 nan 0.000 0.439 495 C N 0.059 119.323 119.300 -0.061 0.000 2.435 495 C HA 0.117 4.578 4.460 0.001 0.000 0.279 495 C C 1.185 176.174 174.990 -0.000 0.000 1.321 495 C CA 0.072 59.076 59.018 -0.024 0.000 1.752 495 C CB -0.831 26.936 27.740 0.045 0.000 1.959 495 C HN 0.374 nan 8.230 nan 0.000 0.500 496 N N 1.523 120.236 118.700 0.021 0.000 2.841 496 N HA 0.326 5.067 4.740 0.001 0.000 0.257 496 N C -1.619 173.901 175.510 0.016 0.000 1.396 496 N CA -2.051 51.005 53.050 0.010 0.000 0.823 496 N CB 0.919 39.415 38.487 0.015 0.000 1.162 496 N HN 0.307 nan 8.380 nan 0.000 0.503 497 P HA -0.032 nan 4.420 nan 0.000 0.220 497 P C 0.986 178.298 177.300 0.019 0.000 1.152 497 P CA 0.650 63.757 63.100 0.012 0.000 0.812 497 P CB 0.430 32.111 31.700 -0.031 0.000 0.792 498 A N 0.071 122.884 122.820 -0.012 0.000 1.930 498 A HA -0.133 4.188 4.320 0.001 0.000 0.217 498 A C 2.209 179.766 177.584 -0.046 0.000 1.175 498 A CA 1.386 53.406 52.037 -0.028 0.000 0.627 498 A CB -1.587 17.381 19.000 -0.053 0.000 0.815 498 A HN 0.203 nan 8.150 nan 0.000 0.443 499 L N -0.492 120.689 121.223 -0.069 0.000 2.109 499 L HA 0.063 4.404 4.340 0.001 0.000 0.207 499 L C 2.605 179.434 176.870 -0.068 0.000 1.086 499 L CA 1.952 56.727 54.840 -0.109 0.000 0.760 499 L CB -0.635 41.339 42.059 -0.141 0.000 0.910 499 L HN 0.307 nan 8.230 nan 0.000 0.437 500 A N -0.291 122.549 122.820 0.035 0.000 1.902 500 A HA -0.094 4.227 4.320 0.001 0.000 0.217 500 A C 2.465 180.206 177.584 0.261 0.000 1.181 500 A CA 1.710 53.894 52.037 0.245 0.000 0.623 500 A CB -1.175 18.091 19.000 0.444 0.000 0.818 500 A HN 0.559 nan 8.150 nan 0.000 0.443 501 A N -0.431 122.478 122.820 0.149 0.000 1.908 501 A HA -0.087 4.234 4.320 0.001 0.000 0.218 501 A C 2.149 179.797 177.584 0.107 0.000 1.181 501 A CA 1.800 53.913 52.037 0.126 0.000 0.627 501 A CB -0.649 18.391 19.000 0.067 0.000 0.818 501 A HN 0.753 nan 8.150 nan 0.000 0.445 502 L N -0.193 121.060 121.223 0.050 0.000 2.083 502 L HA -0.088 4.252 4.340 0.001 0.000 0.209 502 L C 2.222 179.155 176.870 0.105 0.000 1.083 502 L CA 1.511 56.383 54.840 0.052 0.000 0.752 502 L CB -0.334 41.699 42.059 -0.044 0.000 0.899 502 L HN 0.412 nan 8.230 nan 0.000 0.433 503 L N -1.076 120.158 121.223 0.017 0.000 2.027 503 L HA -0.176 4.164 4.340 0.001 0.000 0.206 503 L C 2.297 179.258 176.870 0.152 0.000 1.074 503 L CA 1.242 56.015 54.840 -0.112 0.000 0.745 503 L CB -1.065 40.505 42.059 -0.814 0.000 0.898 503 L HN 0.246 nan 8.230 nan 0.000 0.433 504 D N 0.973 121.591 120.400 0.364 0.000 2.127 504 D HA -0.240 4.401 4.640 0.001 0.000 0.190 504 D C 2.117 178.554 176.300 0.228 0.000 1.000 504 D CA 1.999 56.232 54.000 0.389 0.000 0.839 504 D CB -0.150 40.835 40.800 0.309 0.000 0.955 504 D HN 0.439 nan 8.370 nan 0.000 0.446 505 K N 0.130 120.632 120.400 0.170 0.000 2.057 505 K HA -0.003 4.318 4.320 0.001 0.000 0.206 505 K C 2.062 178.737 176.600 0.126 0.000 1.050 505 K CA 1.491 57.857 56.287 0.131 0.000 0.935 505 K CB -0.217 32.350 32.500 0.113 0.000 0.715 505 K HN -0.118 nan 8.250 nan 0.000 0.439 506 S N 0.802 116.589 115.700 0.145 0.000 2.461 506 S HA 0.156 4.627 4.470 0.001 0.000 0.228 506 S C 0.819 175.457 174.600 0.065 0.000 1.005 506 S CA 0.173 58.443 58.200 0.117 0.000 0.942 506 S CB -0.155 63.169 63.200 0.207 0.000 0.776 506 S HN 0.167 nan 8.310 nan 0.000 0.514 507 L N 1.095 122.378 121.223 0.099 0.000 2.387 507 L HA 0.339 4.680 4.340 0.001 0.000 0.266 507 L C 1.372 178.305 176.870 0.106 0.000 1.059 507 L CA -0.455 54.443 54.840 0.097 0.000 0.801 507 L CB 0.735 42.882 42.059 0.145 0.000 1.223 507 L HN 0.032 nan 8.230 nan 0.000 0.456 508 Q N 0.235 120.084 119.800 0.082 0.000 2.259 508 Q HA 0.096 4.437 4.340 0.001 0.000 0.201 508 Q C 0.019 176.068 176.000 0.081 0.000 0.938 508 Q CA 0.759 56.604 55.803 0.070 0.000 0.872 508 Q CB 0.559 29.323 28.738 0.044 0.000 0.971 508 Q HN 0.492 nan 8.270 nan 0.000 0.494 509 K N 0.872 121.327 120.400 0.093 0.000 2.177 509 K HA 0.200 4.521 4.320 0.001 0.000 0.238 509 K C -0.279 176.393 176.600 0.120 0.000 1.015 509 K CA -0.546 55.792 56.287 0.086 0.000 0.922 509 K CB 0.809 33.350 32.500 0.069 0.000 1.127 509 K HN -0.147 nan 8.250 nan 0.000 0.469 510 E N 1.151 121.389 120.200 0.063 0.000 2.383 510 E HA -0.023 4.327 4.350 0.001 0.000 0.264 510 E C 0.048 176.670 176.600 0.037 0.000 1.050 510 E CA -0.045 56.349 56.400 -0.010 0.000 0.896 510 E CB 0.398 30.065 29.700 -0.056 0.000 0.982 510 E HN 0.638 nan 8.360 nan 0.000 0.424 511 W N 3.224 124.538 121.300 0.024 0.000 2.901 511 W HA 0.362 5.022 4.660 0.001 0.000 0.281 511 W C 1.055 177.553 176.519 -0.034 0.000 1.167 511 W CA 0.345 57.692 57.345 0.004 0.000 1.506 511 W CB -0.690 28.778 29.460 0.014 0.000 0.985 511 W HN 0.592 nan 8.180 nan 0.000 0.590 512 A N 3.417 125.643 122.820 -0.989 0.000 1.927 512 A HA -0.333 3.987 4.320 0.001 0.000 0.220 512 A C 1.510 178.804 177.584 -0.482 0.000 1.185 512 A CA 2.557 54.013 52.037 -0.969 0.000 0.639 512 A CB -1.192 17.083 19.000 -1.209 0.000 0.820 512 A HN 0.475 nan 8.150 nan 0.000 0.451 513 N N -1.740 116.798 118.700 -0.271 0.000 2.351 513 N HA 0.200 4.941 4.740 0.001 0.000 0.254 513 N C -0.867 174.629 175.510 -0.023 0.000 1.241 513 N CA 0.284 53.266 53.050 -0.113 0.000 0.883 513 N CB 0.536 39.016 38.487 -0.012 0.000 1.202 513 N HN 0.241 nan 8.380 nan 0.000 0.512 514 D N 0.529 120.933 120.400 0.006 0.000 2.934 514 D HA 0.047 4.688 4.640 0.001 0.000 0.249 514 D C 0.193 176.558 176.300 0.108 0.000 1.293 514 D CA -0.431 53.599 54.000 0.049 0.000 0.812 514 D CB 0.296 41.123 40.800 0.046 0.000 1.439 514 D HN -0.040 nan 8.370 nan 0.000 0.555 515 L N 1.583 122.876 121.223 0.115 0.000 2.353 515 L HA 0.008 4.348 4.340 0.001 0.000 0.220 515 L C 1.365 178.298 176.870 0.105 0.000 1.133 515 L CA 1.641 56.577 54.840 0.159 0.000 0.798 515 L CB -0.101 42.044 42.059 0.144 0.000 0.922 515 L HN 0.288 nan 8.230 nan 0.000 0.445 516 D N -1.033 119.404 120.400 0.062 0.000 2.378 516 D HA -0.144 4.496 4.640 0.001 0.000 0.222 516 D C 1.655 177.978 176.300 0.038 0.000 0.980 516 D CA 0.362 54.377 54.000 0.026 0.000 0.907 516 D CB 0.208 41.010 40.800 0.003 0.000 0.899 516 D HN 0.479 nan 8.370 nan 0.000 0.527 517 Q N 0.244 120.094 119.800 0.083 0.000 2.230 517 Q HA -0.050 4.291 4.340 0.001 0.000 0.202 517 Q C 2.266 178.298 176.000 0.054 0.000 0.963 517 Q CA 0.234 56.091 55.803 0.090 0.000 0.866 517 Q CB -0.186 28.651 28.738 0.166 0.000 0.931 517 Q HN 0.303 nan 8.270 nan 0.000 0.452 518 L N 0.487 121.734 121.223 0.040 0.000 2.187 518 L HA -0.179 4.161 4.340 0.001 0.000 0.213 518 L C 2.139 178.981 176.870 -0.046 0.000 1.100 518 L CA 0.812 55.632 54.840 -0.034 0.000 0.765 518 L CB -0.637 41.397 42.059 -0.042 0.000 0.904 518 L HN 0.172 nan 8.230 nan 0.000 0.437 519 I N -0.238 120.310 120.570 -0.036 0.000 2.530 519 I HA -0.300 3.870 4.170 0.001 0.000 0.257 519 I C 1.692 177.767 176.117 -0.069 0.000 1.179 519 I CA 1.435 62.704 61.300 -0.053 0.000 1.440 519 I CB -0.442 37.531 38.000 -0.045 0.000 1.087 519 I HN 0.328 nan 8.210 nan 0.000 0.440 520 N N -0.494 118.167 118.700 -0.065 0.000 2.515 520 N HA 0.054 4.794 4.740 0.001 0.000 0.191 520 N C 1.499 176.929 175.510 -0.133 0.000 1.182 520 N CA 0.161 53.163 53.050 -0.080 0.000 0.879 520 N CB 0.005 38.464 38.487 -0.047 0.000 0.984 520 N HN 0.373 nan 8.380 nan 0.000 0.453 521 L N 0.216 121.344 121.223 -0.159 0.000 2.375 521 L HA -0.015 4.326 4.340 0.001 0.000 0.215 521 L C 2.027 178.709 176.870 -0.314 0.000 1.108 521 L CA 0.367 55.043 54.840 -0.274 0.000 0.830 521 L CB -0.297 41.642 42.059 -0.200 0.000 0.959 521 L HN 0.175 nan 8.230 nan 0.000 0.457 522 V N -0.008 119.783 119.914 -0.204 0.000 2.250 522 V HA -0.371 3.749 4.120 0.001 0.000 0.253 522 V C 2.424 178.399 176.094 -0.198 0.000 1.065 522 V CA 2.492 64.685 62.300 -0.178 0.000 1.039 522 V CB -1.371 30.377 31.823 -0.124 0.000 0.647 522 V HN 0.646 nan 8.190 nan 0.000 0.446 523 K N 1.141 121.428 120.400 -0.189 0.000 2.281 523 K HA -0.066 4.255 4.320 0.001 0.000 0.203 523 K C 1.867 178.333 176.600 -0.224 0.000 1.046 523 K CA 2.136 58.320 56.287 -0.171 0.000 0.938 523 K CB -0.694 31.724 32.500 -0.136 0.000 0.737 523 K HN 0.541 nan 8.250 nan 0.000 0.458 524 L N 0.771 121.763 121.223 -0.386 0.000 2.554 524 L HA 0.120 4.461 4.340 0.001 0.000 0.226 524 L C 2.505 179.139 176.870 -0.393 0.000 1.137 524 L CA 0.528 55.029 54.840 -0.566 0.000 0.863 524 L CB -0.127 41.180 42.059 -1.252 0.000 0.985 524 L HN 0.275 nan 8.230 nan 0.000 0.451 525 A N 0.074 122.734 122.820 -0.266 0.000 1.898 525 A HA -0.187 4.134 4.320 0.001 0.000 0.216 525 A C 1.947 179.496 177.584 -0.058 0.000 1.181 525 A CA 1.708 53.670 52.037 -0.126 0.000 0.620 525 A CB -0.362 18.558 19.000 -0.134 0.000 0.819 525 A HN 0.373 nan 8.150 nan 0.000 0.442 526 D N 0.096 120.451 120.400 -0.075 0.000 2.310 526 D HA -0.066 4.575 4.640 0.001 0.000 0.212 526 D C -0.022 176.267 176.300 -0.018 0.000 0.965 526 D CA 0.686 54.660 54.000 -0.044 0.000 0.879 526 D CB -0.218 40.551 40.800 -0.051 0.000 0.921 526 D HN 0.457 nan 8.370 nan 0.000 0.510 527 D N -0.119 120.275 120.400 -0.010 0.000 2.317 527 D HA 0.241 4.882 4.640 0.001 0.000 0.252 527 D C 0.958 177.304 176.300 0.077 0.000 1.174 527 D CA -0.255 53.764 54.000 0.032 0.000 0.866 527 D CB 1.378 42.203 40.800 0.041 0.000 1.127 527 D HN -0.085 nan 8.370 nan 0.000 0.467 528 A N 4.461 127.314 122.820 0.055 0.000 1.930 528 A HA -0.166 4.154 4.320 0.001 0.000 0.217 528 A C 1.832 179.456 177.584 0.068 0.000 1.175 528 A CA 1.304 53.372 52.037 0.052 0.000 0.627 528 A CB -0.282 18.736 19.000 0.030 0.000 0.815 528 A HN 0.671 nan 8.150 nan 0.000 0.443 529 K N -1.221 119.225 120.400 0.078 0.000 2.057 529 K HA -0.053 4.268 4.320 0.001 0.000 0.206 529 K C 1.722 178.383 176.600 0.102 0.000 1.050 529 K CA 1.477 57.809 56.287 0.075 0.000 0.935 529 K CB -0.438 32.104 32.500 0.070 0.000 0.715 529 K HN 0.390 nan 8.250 nan 0.000 0.439 530 F N 2.471 122.426 119.950 0.009 0.000 2.069 530 F HA -0.179 4.349 4.527 0.001 0.000 0.298 530 F C 2.265 178.088 175.800 0.039 0.000 1.113 530 F CA 1.470 59.481 58.000 0.018 0.000 1.214 530 F CB -0.041 38.951 39.000 -0.013 0.000 0.978 530 F HN -0.133 nan 8.300 nan 0.000 0.474 531 R N -0.052 120.567 120.500 0.198 0.000 2.119 531 R HA -0.253 4.087 4.340 0.001 0.000 0.246 531 R C 1.992 178.320 176.300 0.046 0.000 1.146 531 R CA 1.925 58.085 56.100 0.101 0.000 0.962 531 R CB -0.963 29.388 30.300 0.085 0.000 0.863 531 R HN 0.365 nan 8.270 nan 0.000 0.442 532 D N 0.574 120.988 120.400 0.023 0.000 2.117 532 D HA -0.111 4.530 4.640 0.001 0.000 0.197 532 D C 1.973 178.251 176.300 -0.037 0.000 0.987 532 D CA 1.072 55.071 54.000 -0.001 0.000 0.829 532 D CB -0.030 40.770 40.800 0.000 0.000 0.961 532 D HN 0.128 nan 8.370 nan 0.000 0.460 533 L N -0.733 120.438 121.223 -0.086 0.000 2.017 533 L HA -0.167 4.174 4.340 0.001 0.000 0.208 533 L C 2.391 179.156 176.870 -0.175 0.000 1.073 533 L CA 1.146 55.900 54.840 -0.144 0.000 0.745 533 L CB -0.679 41.262 42.059 -0.197 0.000 0.894 533 L HN 0.117 nan 8.230 nan 0.000 0.432 534 Y N 0.604 120.666 120.300 -0.396 0.000 2.274 534 Y HA -0.255 4.296 4.550 0.001 0.000 0.290 534 Y C 2.853 178.661 175.900 -0.152 0.000 1.145 534 Y CA 1.518 59.418 58.100 -0.334 0.000 1.203 534 Y CB -0.102 38.146 38.460 -0.354 0.000 0.984 534 Y HN 0.014 nan 8.280 nan 0.000 0.533 535 R N -0.207 120.322 120.500 0.049 0.000 2.062 535 R HA -0.104 4.236 4.340 0.001 0.000 0.226 535 R C 2.338 178.601 176.300 -0.061 0.000 1.125 535 R CA 1.614 57.730 56.100 0.027 0.000 0.966 535 R CB -0.567 29.754 30.300 0.036 0.000 0.861 535 R HN 0.378 nan 8.270 nan 0.000 0.433 536 V N -0.731 119.140 119.914 -0.072 0.000 2.490 536 V HA -0.155 3.966 4.120 0.001 0.000 0.250 536 V C 2.023 178.055 176.094 -0.104 0.000 1.061 536 V CA 1.594 63.847 62.300 -0.079 0.000 1.064 536 V CB -0.526 31.260 31.823 -0.063 0.000 0.670 536 V HN 0.272 nan 8.190 nan 0.000 0.461 537 I N 0.333 120.814 120.570 -0.147 0.000 2.226 537 I HA -0.179 3.991 4.170 0.001 0.000 0.245 537 I C 2.650 178.666 176.117 -0.169 0.000 1.100 537 I CA 2.121 63.321 61.300 -0.168 0.000 1.374 537 I CB -0.433 37.427 38.000 -0.234 0.000 1.057 537 I HN 0.334 nan 8.210 nan 0.000 0.413 538 K N 0.994 121.272 120.400 -0.202 0.000 2.097 538 K HA -0.244 4.077 4.320 0.001 0.000 0.206 538 K C 2.097 178.615 176.600 -0.137 0.000 1.049 538 K CA 1.581 57.772 56.287 -0.161 0.000 0.933 538 K CB -0.253 32.172 32.500 -0.126 0.000 0.717 538 K HN 0.096 nan 8.250 nan 0.000 0.442 539 Q N -0.142 119.583 119.800 -0.125 0.000 2.079 539 Q HA 0.105 4.446 4.340 0.001 0.000 0.200 539 Q C 1.802 177.740 176.000 -0.104 0.000 0.974 539 Q CA 1.909 57.634 55.803 -0.129 0.000 0.840 539 Q CB -0.483 28.196 28.738 -0.099 0.000 0.898 539 Q HN 0.344 nan 8.270 nan 0.000 0.430 540 A N 0.195 122.968 122.820 -0.079 0.000 1.968 540 A HA -0.140 4.181 4.320 0.001 0.000 0.217 540 A C 1.842 179.405 177.584 -0.034 0.000 1.169 540 A CA 1.400 53.408 52.037 -0.048 0.000 0.638 540 A CB -0.551 18.422 19.000 -0.046 0.000 0.812 540 A HN 0.403 nan 8.150 nan 0.000 0.446 541 N N 0.285 118.954 118.700 -0.052 0.000 2.084 541 N HA -0.121 4.620 4.740 0.001 0.000 0.190 541 N C 1.596 177.114 175.510 0.013 0.000 1.030 541 N CA 1.501 54.537 53.050 -0.023 0.000 0.849 541 N CB -0.347 38.116 38.487 -0.041 0.000 1.012 541 N HN 0.531 nan 8.380 nan 0.000 0.423 542 K N 0.372 120.735 120.400 -0.061 0.000 2.103 542 K HA -0.044 4.277 4.320 0.001 0.000 0.207 542 K C 1.895 178.569 176.600 0.123 0.000 1.048 542 K CA 0.796 57.024 56.287 -0.098 0.000 0.930 542 K CB -0.075 32.050 32.500 -0.625 0.000 0.716 542 K HN -0.015 nan 8.250 nan 0.000 0.444 543 V N 1.105 121.045 119.914 0.042 0.000 2.427 543 V HA -0.201 3.919 4.120 0.001 0.000 0.248 543 V C 2.221 178.382 176.094 0.112 0.000 1.051 543 V CA 1.518 63.867 62.300 0.081 0.000 1.048 543 V CB -0.435 31.409 31.823 0.034 0.000 0.666 543 V HN 0.273 nan 8.190 nan 0.000 0.456 544 R N -0.639 119.917 120.500 0.092 0.000 2.092 544 R HA -0.089 4.251 4.340 0.001 0.000 0.231 544 R C 2.252 178.642 176.300 0.150 0.000 1.119 544 R CA 1.278 57.435 56.100 0.095 0.000 0.970 544 R CB -0.453 29.878 30.300 0.053 0.000 0.864 544 R HN 0.385 nan 8.270 nan 0.000 0.440 545 L N 0.873 122.213 121.223 0.195 0.000 2.046 545 L HA -0.069 4.271 4.340 0.001 0.000 0.208 545 L C 2.246 179.272 176.870 0.260 0.000 1.077 545 L CA 1.863 56.858 54.840 0.258 0.000 0.747 545 L CB -0.693 41.555 42.059 0.315 0.000 0.896 545 L HN 0.099 nan 8.230 nan 0.000 0.432 546 A N -0.460 122.515 122.820 0.258 0.000 1.927 546 A HA -0.298 4.022 4.320 0.001 0.000 0.220 546 A C 2.122 179.793 177.584 0.146 0.000 1.185 546 A CA 2.253 54.405 52.037 0.191 0.000 0.639 546 A CB -0.692 18.433 19.000 0.209 0.000 0.820 546 A HN 0.682 nan 8.150 nan 0.000 0.451 547 E N -1.715 118.580 120.200 0.158 0.000 2.072 547 E HA -0.104 4.247 4.350 0.001 0.000 0.190 547 E C 1.819 178.532 176.600 0.188 0.000 0.982 547 E CA 1.045 57.530 56.400 0.142 0.000 0.803 547 E CB -0.307 29.471 29.700 0.129 0.000 0.755 547 E HN 0.635 nan 8.360 nan 0.000 0.453 548 F N 2.122 122.107 119.950 0.058 0.000 2.046 548 F HA -0.261 4.267 4.527 0.001 0.000 0.297 548 F C 2.213 178.044 175.800 0.052 0.000 1.123 548 F CA 1.196 59.228 58.000 0.055 0.000 1.199 548 F CB -0.662 38.375 39.000 0.062 0.000 0.972 548 F HN -0.223 nan 8.300 nan 0.000 0.474 549 V N 0.983 120.926 119.914 0.049 0.000 2.277 549 V HA -0.426 3.695 4.120 0.001 0.000 0.253 549 V C 2.564 178.616 176.094 -0.071 0.000 1.067 549 V CA 2.547 64.803 62.300 -0.073 0.000 1.047 549 V CB -0.968 30.853 31.823 -0.004 0.000 0.649 549 V HN 0.388 nan 8.190 nan 0.000 0.447 550 K N -0.407 119.987 120.400 -0.011 0.000 2.103 550 K HA -0.172 4.149 4.320 0.001 0.000 0.207 550 K C 2.054 178.641 176.600 -0.021 0.000 1.048 550 K CA 1.710 57.996 56.287 -0.002 0.000 0.930 550 K CB -0.165 32.351 32.500 0.027 0.000 0.716 550 K HN 0.368 nan 8.250 nan 0.000 0.444 551 V N 1.509 121.402 119.914 -0.035 0.000 2.307 551 V HA -0.191 3.930 4.120 0.001 0.000 0.245 551 V C 2.405 178.443 176.094 -0.092 0.000 1.045 551 V CA 1.557 63.833 62.300 -0.041 0.000 1.024 551 V CB -0.371 31.446 31.823 -0.009 0.000 0.651 551 V HN 0.320 nan 8.190 nan 0.000 0.449 552 R N 0.438 120.820 120.500 -0.197 0.000 2.119 552 R HA -0.014 4.326 4.340 0.001 0.000 0.222 552 R C 2.111 178.350 176.300 -0.101 0.000 1.088 552 R CA 1.730 57.701 56.100 -0.215 0.000 0.984 552 R CB -0.827 29.215 30.300 -0.430 0.000 0.884 552 R HN 0.715 nan 8.270 nan 0.000 0.447 553 T N -5.503 109.009 114.554 -0.070 0.000 2.966 553 T HA 0.265 4.616 4.350 0.001 0.000 0.254 553 T C 1.306 176.006 174.700 -0.001 0.000 0.961 553 T CA 0.663 62.756 62.100 -0.011 0.000 0.915 553 T CB 0.909 69.784 68.868 0.011 0.000 1.186 553 T HN 0.297 nan 8.240 nan 0.000 0.505 554 G N 1.678 110.473 108.800 -0.009 0.000 2.175 554 G HA2 -0.174 3.786 3.960 0.001 0.000 0.244 554 G HA3 -0.174 3.786 3.960 0.001 0.000 0.244 554 G C -0.050 174.853 174.900 0.006 0.000 0.982 554 G CA 0.042 45.144 45.100 0.002 0.000 0.641 554 G HN 0.668 nan 8.290 nan 0.000 0.527 555 I N 1.590 122.161 120.570 0.003 0.000 2.342 555 I HA 0.309 4.480 4.170 0.001 0.000 0.291 555 I C -0.485 175.634 176.117 0.004 0.000 1.010 555 I CA -0.516 60.786 61.300 0.003 0.000 1.308 555 I CB 1.064 39.064 38.000 0.000 0.000 1.400 555 I HN -0.012 nan 8.210 nan 0.000 0.488 556 D N 7.350 127.756 120.400 0.010 0.000 2.365 556 D HA 0.254 4.895 4.640 0.001 0.000 0.237 556 D C -0.131 176.178 176.300 0.016 0.000 1.190 556 D CA -0.259 53.752 54.000 0.019 0.000 0.867 556 D CB 0.654 41.469 40.800 0.025 0.000 1.050 556 D HN 0.156 nan 8.370 nan 0.000 0.491 557 I N 2.530 123.107 120.570 0.012 0.000 2.556 557 I HA 0.031 4.202 4.170 0.001 0.000 0.284 557 I C 0.700 176.860 176.117 0.072 0.000 1.114 557 I CA -0.317 60.978 61.300 -0.007 0.000 1.418 557 I CB 0.236 38.185 38.000 -0.085 0.000 1.394 557 I HN 0.332 nan 8.210 nan 0.000 0.552 558 N N 9.631 128.382 118.700 0.084 0.000 2.411 558 N HA 0.196 4.937 4.740 0.001 0.000 0.259 558 N C -1.845 173.813 175.510 0.246 0.000 1.103 558 N CA -1.694 51.430 53.050 0.123 0.000 0.954 558 N CB 1.024 39.556 38.487 0.074 0.000 1.085 558 N HN 0.296 nan 8.380 nan 0.000 0.485 559 P HA 0.008 nan 4.420 nan 0.000 0.249 559 P C 0.049 177.329 177.300 -0.033 0.000 1.229 559 P CA 0.628 63.799 63.100 0.119 0.000 0.788 559 P CB 0.592 32.335 31.700 0.071 0.000 1.072 560 Q N -0.741 119.071 119.800 0.019 0.000 2.378 560 Q HA 0.227 4.568 4.340 0.001 0.000 0.216 560 Q C 1.131 177.131 176.000 -0.000 0.000 0.892 560 Q CA 0.017 55.816 55.803 -0.007 0.000 0.931 560 Q CB 0.193 28.933 28.738 0.004 0.000 1.086 560 Q HN 0.157 nan 8.270 nan 0.000 0.528 561 A N 1.289 124.124 122.820 0.024 0.000 2.366 561 A HA 0.361 4.682 4.320 0.001 0.000 0.249 561 A C 0.145 177.675 177.584 -0.091 0.000 1.084 561 A CA -0.403 51.627 52.037 -0.012 0.000 0.794 561 A CB 0.125 19.161 19.000 0.059 0.000 1.034 561 A HN 0.235 nan 8.150 nan 0.000 0.491 562 I N 1.328 121.714 120.570 -0.307 0.000 2.496 562 I HA 0.065 4.235 4.170 0.001 0.000 0.285 562 I C -0.682 175.388 176.117 -0.080 0.000 1.080 562 I CA 0.102 61.116 61.300 -0.477 0.000 1.404 562 I CB 0.307 37.837 38.000 -0.783 0.000 1.403 562 I HN 0.397 nan 8.210 nan 0.000 0.539 563 F N 4.931 124.703 119.950 -0.297 0.000 2.405 563 F HA 0.161 4.688 4.527 0.001 0.000 0.358 563 F C 0.652 176.303 175.800 -0.248 0.000 1.151 563 F CA -0.922 56.947 58.000 -0.219 0.000 1.161 563 F CB -0.185 38.750 39.000 -0.109 0.000 1.245 563 F HN 0.371 nan 8.300 nan 0.000 0.545 564 D N 5.549 125.807 120.400 -0.236 0.000 2.396 564 D HA 0.303 4.943 4.640 0.001 0.000 0.225 564 D C -0.427 175.725 176.300 -0.247 0.000 1.121 564 D CA -0.045 53.769 54.000 -0.310 0.000 0.853 564 D CB 0.529 40.922 40.800 -0.677 0.000 1.043 564 D HN 0.340 nan 8.370 nan 0.000 0.500 565 I N 2.856 123.329 120.570 -0.162 0.000 2.406 565 I HA 0.227 4.398 4.170 0.001 0.000 0.290 565 I C 0.125 176.104 176.117 -0.231 0.000 0.999 565 I CA -0.720 60.462 61.300 -0.196 0.000 1.124 565 I CB 2.139 40.084 38.000 -0.091 0.000 1.289 565 I HN 0.174 nan 8.210 nan 0.000 0.441 566 Q N 7.901 127.466 119.800 -0.391 0.000 2.607 566 Q HA 0.469 4.810 4.340 0.001 0.000 0.247 566 Q C -1.219 174.569 176.000 -0.353 0.000 1.033 566 Q CA -0.527 55.055 55.803 -0.367 0.000 0.769 566 Q CB 0.987 29.451 28.738 -0.456 0.000 1.169 566 Q HN 0.729 nan 8.270 nan 0.000 0.508 567 I N 1.723 122.114 120.570 -0.299 0.000 2.371 567 I HA 0.581 4.752 4.170 0.001 0.000 0.282 567 I C -0.870 174.963 176.117 -0.474 0.000 1.031 567 I CA -0.546 60.469 61.300 -0.474 0.000 1.180 567 I CB 0.496 38.266 38.000 -0.383 0.000 1.336 567 I HN 0.348 nan 8.210 nan 0.000 0.467 568 K N 3.641 123.776 120.400 -0.443 0.000 2.672 568 K HA 0.494 4.815 4.320 0.001 0.000 0.295 568 K C -0.933 175.581 176.600 -0.144 0.000 1.042 568 K CA -1.226 54.917 56.287 -0.239 0.000 0.869 568 K CB 1.197 33.617 32.500 -0.132 0.000 1.541 568 K HN 0.430 nan 8.250 nan 0.000 0.396 569 R N 0.106 120.582 120.500 -0.041 0.000 2.924 569 R HA 0.106 4.446 4.340 0.001 0.000 0.272 569 R C -0.544 175.748 176.300 -0.015 0.000 1.012 569 R CA 0.025 56.131 56.100 0.009 0.000 1.171 569 R CB 0.166 30.479 30.300 0.022 0.000 1.086 569 R HN 0.541 nan 8.270 nan 0.000 0.489 570 L N 2.348 123.575 121.223 0.006 0.000 2.283 570 L HA 0.298 4.638 4.340 0.001 0.000 0.281 570 L C -0.935 175.837 176.870 -0.163 0.000 1.033 570 L CA -0.126 54.678 54.840 -0.061 0.000 0.848 570 L CB 0.506 42.542 42.059 -0.038 0.000 1.226 570 L HN 0.636 nan 8.230 nan 0.000 0.429 571 H N 1.030 119.932 119.070 -0.280 0.000 2.747 571 H HA 0.188 4.745 4.556 0.001 0.000 0.371 571 H C 0.564 175.703 175.328 -0.315 0.000 1.161 571 H CA -0.480 55.376 56.048 -0.321 0.000 1.167 571 H CB 2.033 31.494 29.762 -0.501 0.000 1.732 571 H HN 0.608 nan 8.280 nan 0.000 0.544 572 E N 2.121 122.218 120.200 -0.171 0.000 2.058 572 E HA -0.273 4.077 4.350 0.001 0.000 0.194 572 E C 1.238 177.825 176.600 -0.021 0.000 0.997 572 E CA 1.862 58.235 56.400 -0.045 0.000 0.801 572 E CB -0.049 29.726 29.700 0.126 0.000 0.746 572 E HN 0.740 nan 8.360 nan 0.000 0.450 573 Y N 0.241 120.380 120.300 -0.269 0.000 2.352 573 Y HA 0.036 4.587 4.550 0.001 0.000 0.292 573 Y C 1.551 177.300 175.900 -0.251 0.000 1.136 573 Y CA 0.851 58.490 58.100 -0.768 0.000 1.227 573 Y CB -0.382 37.495 38.460 -0.972 0.000 0.991 573 Y HN -0.174 nan 8.280 nan 0.000 0.545 574 K N 0.985 121.282 120.400 -0.172 0.000 2.525 574 K HA 0.067 4.388 4.320 0.001 0.000 0.192 574 K C 0.085 176.700 176.600 0.026 0.000 1.029 574 K CA 0.236 56.491 56.287 -0.054 0.000 1.029 574 K CB -0.094 32.314 32.500 -0.154 0.000 0.814 574 K HN 0.240 nan 8.250 nan 0.000 0.503 575 R N 0.134 120.696 120.500 0.103 0.000 3.322 575 R HA -0.260 4.081 4.340 0.001 0.000 0.253 575 R C 0.179 176.589 176.300 0.183 0.000 0.987 575 R CA 0.315 56.523 56.100 0.179 0.000 0.666 575 R CB -1.770 28.541 30.300 0.018 0.000 1.072 575 R HN 0.316 nan 8.270 nan 0.000 0.447 576 Q N -0.372 119.553 119.800 0.208 0.000 2.181 576 Q HA -0.186 4.155 4.340 0.001 0.000 0.205 576 Q C 1.825 177.953 176.000 0.214 0.000 0.980 576 Q CA 2.291 58.218 55.803 0.207 0.000 0.862 576 Q CB -0.305 28.506 28.738 0.121 0.000 0.905 576 Q HN 0.874 nan 8.270 nan 0.000 0.429 577 H N -1.790 117.280 119.070 0.000 0.000 2.462 577 H HA 0.012 4.569 4.556 0.001 0.000 0.292 577 H C 1.859 177.222 175.328 0.058 0.000 1.049 577 H CA 0.480 56.523 56.048 -0.008 0.000 1.334 577 H CB -0.124 29.634 29.762 -0.007 0.000 1.404 577 H HN 0.191 nan 8.280 nan 0.000 0.544 578 L N 1.566 122.771 121.223 -0.029 0.000 2.093 578 L HA -0.124 4.217 4.340 0.001 0.000 0.208 578 L C 2.031 178.999 176.870 0.164 0.000 1.085 578 L CA 1.635 56.481 54.840 0.011 0.000 0.755 578 L CB -0.868 41.125 42.059 -0.110 0.000 0.904 578 L HN 0.402 nan 8.230 nan 0.000 0.435 579 N N -0.939 117.857 118.700 0.160 0.000 2.039 579 N HA -0.255 4.486 4.740 0.001 0.000 0.193 579 N C 1.977 177.547 175.510 0.099 0.000 1.044 579 N CA 1.394 54.581 53.050 0.230 0.000 0.847 579 N CB -0.199 38.439 38.487 0.251 0.000 1.030 579 N HN 0.335 nan 8.380 nan 0.000 0.422 580 L N 1.549 122.809 121.223 0.063 0.000 2.021 580 L HA -0.201 4.140 4.340 0.001 0.000 0.215 580 L C 2.001 178.844 176.870 -0.045 0.000 1.074 580 L CA 1.557 56.353 54.840 -0.073 0.000 0.760 580 L CB -0.561 41.423 42.059 -0.126 0.000 0.889 580 L HN 0.309 nan 8.230 nan 0.000 0.433 581 L N -1.496 119.780 121.223 0.089 0.000 2.093 581 L HA -0.175 4.166 4.340 0.001 0.000 0.208 581 L C 2.768 179.812 176.870 0.290 0.000 1.085 581 L CA 0.850 55.815 54.840 0.208 0.000 0.755 581 L CB -0.721 41.557 42.059 0.365 0.000 0.904 581 L HN 0.256 nan 8.230 nan 0.000 0.435 582 R N 0.947 121.557 120.500 0.183 0.000 2.070 582 R HA -0.124 4.216 4.340 0.001 0.000 0.233 582 R C 2.175 178.406 176.300 -0.116 0.000 1.137 582 R CA 1.660 57.728 56.100 -0.054 0.000 0.945 582 R CB -0.682 29.520 30.300 -0.164 0.000 0.845 582 R HN 0.341 nan 8.270 nan 0.000 0.430 583 I N 0.933 121.354 120.570 -0.249 0.000 2.118 583 I HA -0.348 3.823 4.170 0.001 0.000 0.241 583 I C 2.342 178.384 176.117 -0.124 0.000 1.070 583 I CA 1.370 62.423 61.300 -0.412 0.000 1.327 583 I CB -0.384 37.218 38.000 -0.662 0.000 1.034 583 I HN 0.132 nan 8.210 nan 0.000 0.405 584 L N 0.442 121.637 121.223 -0.048 0.000 2.083 584 L HA -0.201 4.140 4.340 0.001 0.000 0.209 584 L C 2.870 179.819 176.870 0.131 0.000 1.083 584 L CA 1.200 56.091 54.840 0.086 0.000 0.752 584 L CB -0.766 41.332 42.059 0.064 0.000 0.899 584 L HN 0.255 nan 8.230 nan 0.000 0.433 585 A N 0.196 123.086 122.820 0.116 0.000 1.851 585 A HA -0.252 4.069 4.320 0.001 0.000 0.216 585 A C 2.220 179.850 177.584 0.076 0.000 1.195 585 A CA 1.826 53.939 52.037 0.126 0.000 0.622 585 A CB -0.870 18.243 19.000 0.188 0.000 0.831 585 A HN 0.274 nan 8.150 nan 0.000 0.444 586 L N -1.590 119.664 121.223 0.052 0.000 2.013 586 L HA -0.219 4.121 4.340 0.001 0.000 0.212 586 L C 2.386 179.332 176.870 0.126 0.000 1.073 586 L CA 2.431 57.310 54.840 0.066 0.000 0.753 586 L CB -0.905 41.199 42.059 0.075 0.000 0.890 586 L HN 0.583 nan 8.230 nan 0.000 0.432 587 Y N 0.655 120.956 120.300 0.003 0.000 2.097 587 Y HA -0.328 4.223 4.550 0.001 0.000 0.282 587 Y C 2.681 178.600 175.900 0.032 0.000 1.152 587 Y CA 2.332 60.443 58.100 0.019 0.000 1.136 587 Y CB -0.654 37.813 38.460 0.012 0.000 0.975 587 Y HN 0.264 nan 8.280 nan 0.000 0.498 588 K N 0.421 120.766 120.400 -0.092 0.000 2.001 588 K HA -0.322 3.998 4.320 0.001 0.000 0.214 588 K C 2.240 178.775 176.600 -0.109 0.000 1.050 588 K CA 2.213 58.390 56.287 -0.184 0.000 0.934 588 K CB -0.514 31.950 32.500 -0.059 0.000 0.718 588 K HN 0.567 nan 8.250 nan 0.000 0.443 589 E N 0.467 120.650 120.200 -0.027 0.000 2.070 589 E HA -0.221 4.130 4.350 0.001 0.000 0.197 589 E C 2.105 178.696 176.600 -0.014 0.000 1.004 589 E CA 1.829 58.222 56.400 -0.012 0.000 0.805 589 E CB -0.167 29.539 29.700 0.009 0.000 0.744 589 E HN 0.432 nan 8.360 nan 0.000 0.451 590 I N 0.565 121.141 120.570 0.010 0.000 2.208 590 I HA -0.322 3.849 4.170 0.001 0.000 0.245 590 I C 2.621 178.731 176.117 -0.012 0.000 1.097 590 I CA 1.373 62.688 61.300 0.025 0.000 1.363 590 I CB -0.322 37.733 38.000 0.091 0.000 1.051 590 I HN 0.108 nan 8.210 nan 0.000 0.413 591 R N 0.966 121.416 120.500 -0.083 0.000 2.066 591 R HA -0.126 4.215 4.340 0.001 0.000 0.232 591 R C 1.972 178.231 176.300 -0.068 0.000 1.131 591 R CA 1.411 57.451 56.100 -0.100 0.000 0.955 591 R CB -0.455 29.714 30.300 -0.219 0.000 0.851 591 R HN 0.473 nan 8.270 nan 0.000 0.432 592 E N 0.383 120.540 120.200 -0.072 0.000 2.427 592 E HA -0.059 4.292 4.350 0.001 0.000 0.196 592 E C -0.004 176.580 176.600 -0.026 0.000 1.028 592 E CA 0.334 56.706 56.400 -0.047 0.000 0.864 592 E CB 0.021 29.694 29.700 -0.045 0.000 0.813 592 E HN 0.110 nan 8.360 nan 0.000 0.514 593 N N 0.293 118.982 118.700 -0.019 0.000 2.653 593 N HA 0.096 4.836 4.740 0.001 0.000 0.261 593 N C -2.570 172.938 175.510 -0.003 0.000 1.216 593 N CA -1.910 51.134 53.050 -0.009 0.000 0.784 593 N CB 1.171 39.654 38.487 -0.006 0.000 1.327 593 N HN -0.248 nan 8.380 nan 0.000 0.539 594 P HA 0.119 nan 4.420 nan 0.000 0.256 594 P C -0.192 177.111 177.300 0.006 0.000 1.335 594 P CA 0.475 63.578 63.100 0.005 0.000 0.808 594 P CB 0.390 32.093 31.700 0.005 0.000 1.305 595 Q N -1.009 118.793 119.800 0.004 0.000 2.155 595 Q HA 0.329 4.669 4.340 0.001 0.000 0.220 595 Q C 0.455 176.457 176.000 0.004 0.000 0.819 595 Q CA -0.400 55.405 55.803 0.004 0.000 1.032 595 Q CB 0.790 29.529 28.738 0.002 0.000 1.151 595 Q HN 0.125 nan 8.270 nan 0.000 0.487 596 A N 1.330 124.153 122.820 0.005 0.000 2.366 596 A HA 0.240 4.561 4.320 0.001 0.000 0.272 596 A C 0.050 177.637 177.584 0.004 0.000 1.135 596 A CA -0.254 51.785 52.037 0.004 0.000 0.804 596 A CB 0.282 19.285 19.000 0.006 0.000 1.064 596 A HN -0.009 nan 8.150 nan 0.000 0.499 597 D N 1.845 122.245 120.400 0.002 0.000 2.889 597 D HA 0.074 4.715 4.640 0.001 0.000 0.243 597 D C 0.134 176.431 176.300 -0.005 0.000 1.270 597 D CA -0.217 53.783 54.000 0.000 0.000 0.838 597 D CB -0.118 40.683 40.800 0.002 0.000 1.040 597 D HN 0.332 nan 8.370 nan 0.000 0.480 598 R N 0.047 120.542 120.500 -0.007 0.000 2.537 598 R HA 0.157 4.498 4.340 0.001 0.000 0.280 598 R C -0.087 176.195 176.300 -0.030 0.000 1.058 598 R CA -0.433 55.654 56.100 -0.021 0.000 1.057 598 R CB 0.856 31.146 30.300 -0.016 0.000 0.973 598 R HN 0.013 nan 8.270 nan 0.000 0.438 599 V N 6.260 126.141 119.914 -0.054 0.000 2.585 599 V HA 0.024 4.145 4.120 0.001 0.000 0.296 599 V C -1.706 174.328 176.094 -0.100 0.000 1.035 599 V CA -1.113 61.144 62.300 -0.073 0.000 1.084 599 V CB 0.456 32.210 31.823 -0.115 0.000 0.953 599 V HN 0.620 nan 8.190 nan 0.000 0.483 600 P HA 0.062 nan 4.420 nan 0.000 0.263 600 P C -0.360 176.855 177.300 -0.143 0.000 1.175 600 P CA 0.498 63.558 63.100 -0.067 0.000 0.761 600 P CB 0.356 32.037 31.700 -0.032 0.000 0.794 601 R N 1.469 121.889 120.500 -0.133 0.000 2.750 601 R HA 0.653 4.994 4.340 0.001 0.000 0.281 601 R C -1.302 174.866 176.300 -0.221 0.000 0.972 601 R CA -1.080 54.855 56.100 -0.275 0.000 0.912 601 R CB 2.224 32.276 30.300 -0.413 0.000 1.187 601 R HN 0.185 nan 8.270 nan 0.000 0.464 602 V N 3.687 123.408 119.914 -0.323 0.000 2.447 602 V HA 0.372 4.493 4.120 0.001 0.000 0.292 602 V C -1.030 174.842 176.094 -0.370 0.000 1.021 602 V CA -0.707 61.441 62.300 -0.254 0.000 0.850 602 V CB 1.229 32.860 31.823 -0.320 0.000 1.005 602 V HN 0.528 nan 8.190 nan 0.000 0.426 603 F N 5.507 125.364 119.950 -0.155 0.000 2.404 603 F HA 0.587 5.114 4.527 0.001 0.000 0.358 603 F C 0.084 175.763 175.800 -0.200 0.000 1.120 603 F CA -0.468 57.414 58.000 -0.197 0.000 1.144 603 F CB 0.975 39.896 39.000 -0.132 0.000 1.133 603 F HN 0.227 nan 8.300 nan 0.000 0.495 604 L N 4.280 125.400 121.223 -0.171 0.000 2.309 604 L HA 0.523 4.863 4.340 0.001 0.000 0.282 604 L C -0.831 175.838 176.870 -0.335 0.000 1.036 604 L CA -0.352 54.398 54.840 -0.151 0.000 0.806 604 L CB 1.004 42.974 42.059 -0.147 0.000 1.220 604 L HN 0.412 nan 8.230 nan 0.000 0.429 605 F N 0.665 120.486 119.950 -0.215 0.000 2.520 605 F HA 0.731 5.259 4.527 0.001 0.000 0.322 605 F C 0.549 176.137 175.800 -0.354 0.000 1.103 605 F CA -0.641 57.072 58.000 -0.478 0.000 0.926 605 F CB 2.336 40.696 39.000 -1.067 0.000 1.154 605 F HN 0.381 nan 8.300 nan 0.000 0.453 606 G N 1.667 110.367 108.800 -0.166 0.000 2.666 606 G HA2 0.786 4.747 3.960 0.001 0.000 0.303 606 G HA3 0.786 4.747 3.960 0.001 0.000 0.303 606 G C -1.733 173.055 174.900 -0.186 0.000 1.412 606 G CA -0.709 44.343 45.100 -0.079 0.000 0.979 606 G HN 1.004 nan 8.290 nan 0.000 0.507 607 A N 2.253 125.224 122.820 0.251 0.000 2.571 607 A HA 0.750 5.070 4.320 0.001 0.000 0.296 607 A C -1.212 176.606 177.584 0.389 0.000 1.005 607 A CA -0.909 51.267 52.037 0.232 0.000 0.682 607 A CB 1.181 20.326 19.000 0.241 0.000 1.292 607 A HN 0.673 nan 8.150 nan 0.000 0.420 608 K N 0.390 120.943 120.400 0.254 0.000 2.371 608 K HA 0.785 5.106 4.320 0.001 0.000 0.251 608 K C -0.346 176.410 176.600 0.260 0.000 0.934 608 K CA -0.301 56.154 56.287 0.280 0.000 0.798 608 K CB 2.562 35.125 32.500 0.105 0.000 1.204 608 K HN 1.179 nan 8.250 nan 0.000 0.427 609 A N 1.486 124.478 122.820 0.287 0.000 2.305 609 A HA 0.723 5.043 4.320 0.001 0.000 0.322 609 A C -0.256 177.475 177.584 0.246 0.000 1.187 609 A CA -0.640 51.477 52.037 0.133 0.000 0.825 609 A CB 0.853 19.836 19.000 -0.028 0.000 1.164 609 A HN 0.797 nan 8.150 nan 0.000 0.498 610 A N 3.425 126.385 122.820 0.234 0.000 2.507 610 A HA 0.452 4.773 4.320 0.001 0.000 0.235 610 A C -1.294 176.328 177.584 0.064 0.000 1.070 610 A CA -0.671 51.502 52.037 0.228 0.000 0.768 610 A CB -0.465 18.656 19.000 0.202 0.000 1.011 610 A HN 0.618 nan 8.150 nan 0.000 0.502 611 P HA -0.157 nan 4.420 nan 0.000 0.218 611 P C 1.060 178.251 177.300 -0.182 0.000 1.152 611 P CA 2.177 65.196 63.100 -0.135 0.000 0.857 611 P CB 0.192 31.840 31.700 -0.086 0.000 0.787 612 G N -3.439 105.232 108.800 -0.216 0.000 3.774 612 G HA2 -0.011 3.950 3.960 0.001 0.000 0.287 612 G HA3 -0.011 3.950 3.960 0.001 0.000 0.287 612 G C -0.544 173.979 174.900 -0.629 0.000 1.030 612 G CA 0.051 44.829 45.100 -0.537 0.000 0.824 612 G HN 0.113 nan 8.290 nan 0.000 0.518 613 Y N 2.180 122.206 120.300 -0.456 0.000 2.817 613 Y HA 0.395 4.945 4.550 0.001 0.000 0.339 613 Y C 0.798 176.579 175.900 -0.198 0.000 1.281 613 Y CA -2.548 55.370 58.100 -0.303 0.000 1.564 613 Y CB -0.443 37.908 38.460 -0.181 0.000 1.628 613 Y HN 0.240 nan 8.280 nan 0.000 0.489 614 Y N 1.258 121.667 120.300 0.181 0.000 2.081 614 Y HA -0.357 4.194 4.550 0.001 0.000 0.280 614 Y C 2.431 178.348 175.900 0.028 0.000 1.163 614 Y CA 1.724 59.862 58.100 0.064 0.000 1.135 614 Y CB -0.968 37.522 38.460 0.049 0.000 0.970 614 Y HN 0.474 nan 8.280 nan 0.000 0.498 615 L N -0.568 120.797 121.223 0.237 0.000 2.013 615 L HA -0.329 4.012 4.340 0.001 0.000 0.212 615 L C 2.502 179.285 176.870 -0.146 0.000 1.073 615 L CA 1.742 56.630 54.840 0.080 0.000 0.753 615 L CB -0.629 41.522 42.059 0.154 0.000 0.890 615 L HN 0.309 nan 8.230 nan 0.000 0.432 616 A N -0.460 122.083 122.820 -0.461 0.000 1.902 616 A HA -0.227 4.094 4.320 0.001 0.000 0.217 616 A C 2.231 179.655 177.584 -0.266 0.000 1.181 616 A CA 1.729 53.389 52.037 -0.629 0.000 0.623 616 A CB -0.404 17.837 19.000 -1.265 0.000 0.818 616 A HN 0.411 nan 8.150 nan 0.000 0.443 617 K N -0.371 119.942 120.400 -0.144 0.000 2.097 617 K HA -0.154 4.167 4.320 0.001 0.000 0.206 617 K C 1.877 178.484 176.600 0.012 0.000 1.049 617 K CA 1.323 57.595 56.287 -0.026 0.000 0.933 617 K CB -0.337 32.185 32.500 0.036 0.000 0.717 617 K HN 0.655 nan 8.250 nan 0.000 0.442 618 N N 1.142 119.858 118.700 0.027 0.000 2.270 618 N HA -0.077 4.663 4.740 0.001 0.000 0.181 618 N C 1.814 177.376 175.510 0.086 0.000 1.016 618 N CA 0.450 53.567 53.050 0.112 0.000 0.870 618 N CB 0.119 38.673 38.487 0.112 0.000 0.979 618 N HN 0.109 nan 8.380 nan 0.000 0.431 619 I N 1.008 121.545 120.570 -0.056 0.000 2.493 619 I HA -0.199 3.972 4.170 0.001 0.000 0.254 619 I C 2.010 178.054 176.117 -0.121 0.000 1.160 619 I CA 0.651 61.871 61.300 -0.134 0.000 1.445 619 I CB -0.127 37.730 38.000 -0.238 0.000 1.086 619 I HN 0.177 nan 8.210 nan 0.000 0.433 620 I N 0.136 120.671 120.570 -0.058 0.000 2.315 620 I HA -0.283 3.887 4.170 0.001 0.000 0.248 620 I C 2.521 178.577 176.117 -0.101 0.000 1.117 620 I CA 1.397 62.663 61.300 -0.055 0.000 1.404 620 I CB -0.348 37.612 38.000 -0.067 0.000 1.071 620 I HN 0.190 nan 8.210 nan 0.000 0.419 621 F N 2.064 121.924 119.950 -0.151 0.000 2.113 621 F HA -0.123 4.405 4.527 0.001 0.000 0.297 621 F C 2.496 178.224 175.800 -0.121 0.000 1.103 621 F CA 1.144 59.094 58.000 -0.083 0.000 1.248 621 F CB -0.522 38.510 39.000 0.053 0.000 0.999 621 F HN -0.019 nan 8.300 nan 0.000 0.475 622 A N 1.154 123.827 122.820 -0.246 0.000 1.851 622 A HA -0.196 4.124 4.320 0.001 0.000 0.216 622 A C 2.387 179.570 177.584 -0.667 0.000 1.195 622 A CA 2.189 53.695 52.037 -0.885 0.000 0.622 622 A CB -1.344 17.128 19.000 -0.880 0.000 0.831 622 A HN 0.465 nan 8.150 nan 0.000 0.444 623 I N -0.063 120.224 120.570 -0.470 0.000 2.087 623 I HA -0.356 3.814 4.170 0.001 0.000 0.240 623 I C 2.362 178.248 176.117 -0.385 0.000 1.054 623 I CA 1.712 62.736 61.300 -0.461 0.000 1.311 623 I CB -0.650 37.034 38.000 -0.526 0.000 1.024 623 I HN 0.376 nan 8.210 nan 0.000 0.402 624 N N 0.900 119.403 118.700 -0.329 0.000 2.069 624 N HA -0.184 4.557 4.740 0.001 0.000 0.191 624 N C 1.787 177.140 175.510 -0.261 0.000 1.031 624 N CA 1.299 54.172 53.050 -0.296 0.000 0.852 624 N CB -0.284 37.969 38.487 -0.391 0.000 1.018 624 N HN 0.287 nan 8.380 nan 0.000 0.423 625 K N 0.918 121.129 120.400 -0.314 0.000 2.147 625 K HA -0.060 4.261 4.320 0.001 0.000 0.205 625 K C 1.985 178.460 176.600 -0.207 0.000 1.049 625 K CA 0.654 56.794 56.287 -0.245 0.000 0.936 625 K CB -0.522 31.809 32.500 -0.281 0.000 0.722 625 K HN 0.283 nan 8.250 nan 0.000 0.446 626 V N -1.336 118.338 119.914 -0.400 0.000 2.951 626 V HA 0.097 4.218 4.120 0.001 0.000 0.255 626 V C 2.120 178.018 176.094 -0.327 0.000 1.088 626 V CA 1.410 63.395 62.300 -0.526 0.000 1.109 626 V CB -0.262 31.004 31.823 -0.928 0.000 0.724 626 V HN 0.114 nan 8.190 nan 0.000 0.471 627 A N 0.654 123.312 122.820 -0.270 0.000 1.898 627 A HA -0.189 4.132 4.320 0.001 0.000 0.216 627 A C 1.790 179.294 177.584 -0.133 0.000 1.181 627 A CA 2.075 53.999 52.037 -0.188 0.000 0.620 627 A CB -0.910 18.010 19.000 -0.133 0.000 0.819 627 A HN 0.581 nan 8.150 nan 0.000 0.442 628 D N -0.508 119.829 120.400 -0.104 0.000 2.092 628 D HA -0.126 4.515 4.640 0.001 0.000 0.193 628 D C 1.985 178.266 176.300 -0.033 0.000 0.994 628 D CA 1.504 55.473 54.000 -0.052 0.000 0.828 628 D CB -0.284 40.496 40.800 -0.032 0.000 0.963 628 D HN 0.152 nan 8.370 nan 0.000 0.450 629 V N 0.721 120.633 119.914 -0.004 0.000 2.220 629 V HA -0.258 3.863 4.120 0.001 0.000 0.246 629 V C 2.412 178.460 176.094 -0.077 0.000 1.049 629 V CA 1.498 63.824 62.300 0.044 0.000 1.003 629 V CB -0.503 31.472 31.823 0.254 0.000 0.634 629 V HN 0.243 nan 8.190 nan 0.000 0.444 630 I N 0.526 120.927 120.570 -0.281 0.000 2.087 630 I HA -0.340 3.831 4.170 0.001 0.000 0.240 630 I C 2.374 178.378 176.117 -0.188 0.000 1.054 630 I CA 2.090 63.109 61.300 -0.468 0.000 1.311 630 I CB -0.814 36.836 38.000 -0.583 0.000 1.024 630 I HN 0.382 nan 8.210 nan 0.000 0.402 631 N N 1.079 119.707 118.700 -0.120 0.000 2.137 631 N HA -0.174 4.567 4.740 0.001 0.000 0.190 631 N C 1.213 176.708 175.510 -0.025 0.000 1.017 631 N CA 1.318 54.334 53.050 -0.056 0.000 0.859 631 N CB -0.533 37.929 38.487 -0.041 0.000 1.002 631 N HN 0.476 nan 8.380 nan 0.000 0.428 632 N N 0.539 119.229 118.700 -0.016 0.000 2.270 632 N HA -0.037 4.704 4.740 0.001 0.000 0.198 632 N C -0.574 174.952 175.510 0.026 0.000 1.117 632 N CA -0.009 53.045 53.050 0.007 0.000 0.845 632 N CB 0.381 38.873 38.487 0.010 0.000 0.980 632 N HN 0.168 nan 8.380 nan 0.000 0.486 633 D N 2.128 122.550 120.400 0.038 0.000 2.325 633 D HA 0.109 4.750 4.640 0.001 0.000 0.251 633 D C -1.702 174.638 176.300 0.066 0.000 1.196 633 D CA -1.979 52.068 54.000 0.077 0.000 0.866 633 D CB 1.428 42.324 40.800 0.160 0.000 1.101 633 D HN 0.061 nan 8.370 nan 0.000 0.476 634 P HA 0.018 nan 4.420 nan 0.000 0.258 634 P C 0.942 178.271 177.300 0.047 0.000 1.319 634 P CA 0.110 63.235 63.100 0.042 0.000 0.785 634 P CB 0.296 32.014 31.700 0.031 0.000 1.252 635 L N -0.591 120.672 121.223 0.066 0.000 2.554 635 L HA 0.049 4.390 4.340 0.001 0.000 0.225 635 L C 1.993 178.910 176.870 0.077 0.000 1.104 635 L CA 0.740 55.619 54.840 0.064 0.000 0.866 635 L CB 0.109 42.211 42.059 0.071 0.000 1.047 635 L HN -0.019 nan 8.230 nan 0.000 0.468 636 V N -4.658 115.310 119.914 0.091 0.000 2.911 636 V HA 0.507 4.627 4.120 0.001 0.000 0.237 636 V C 1.667 177.795 176.094 0.058 0.000 1.156 636 V CA 0.535 62.891 62.300 0.094 0.000 1.180 636 V CB -0.333 31.566 31.823 0.128 0.000 0.932 636 V HN 0.322 nan 8.190 nan 0.000 0.483 637 G N 2.913 111.741 108.800 0.047 0.000 2.672 637 G HA2 -0.490 3.471 3.960 0.001 0.000 0.324 637 G HA3 -0.490 3.471 3.960 0.001 0.000 0.324 637 G C 0.884 175.801 174.900 0.029 0.000 1.286 637 G CA 1.237 46.357 45.100 0.033 0.000 1.004 637 G HN 0.898 nan 8.290 nan 0.000 0.548 638 D N 0.710 121.126 120.400 0.026 0.000 2.350 638 D HA -0.061 4.580 4.640 0.001 0.000 0.216 638 D C 1.833 178.147 176.300 0.023 0.000 0.968 638 D CA 1.354 55.368 54.000 0.024 0.000 0.894 638 D CB -0.138 40.676 40.800 0.023 0.000 0.909 638 D HN 0.433 nan 8.370 nan 0.000 0.520 639 K N -0.223 120.195 120.400 0.029 0.000 2.155 639 K HA 0.041 4.361 4.320 0.001 0.000 0.203 639 K C 0.753 177.376 176.600 0.039 0.000 1.052 639 K CA 0.216 56.522 56.287 0.031 0.000 0.948 639 K CB 0.195 32.722 32.500 0.045 0.000 0.728 639 K HN 0.255 nan 8.250 nan 0.000 0.448 640 L N -0.138 121.113 121.223 0.048 0.000 2.526 640 L HA 0.365 4.706 4.340 0.001 0.000 0.263 640 L C -1.842 175.050 176.870 0.038 0.000 0.943 640 L CA -0.410 54.471 54.840 0.068 0.000 0.859 640 L CB 1.994 44.115 42.059 0.104 0.000 1.313 640 L HN -0.199 nan 8.230 nan 0.000 0.406 641 K N 2.734 123.170 120.400 0.060 0.000 2.525 641 K HA 0.828 5.149 4.320 0.001 0.000 0.254 641 K C -1.936 174.713 176.600 0.082 0.000 0.934 641 K CA -0.549 55.754 56.287 0.027 0.000 0.802 641 K CB 2.402 34.900 32.500 -0.005 0.000 1.295 641 K HN 0.369 nan 8.250 nan 0.000 0.433 642 V N 3.441 123.383 119.914 0.047 0.000 2.495 642 V HA 0.600 4.720 4.120 0.001 0.000 0.298 642 V C -1.148 174.993 176.094 0.079 0.000 1.031 642 V CA -0.825 61.531 62.300 0.094 0.000 0.871 642 V CB 1.664 33.492 31.823 0.008 0.000 0.988 642 V HN 0.513 nan 8.190 nan 0.000 0.432 643 V N 6.256 126.253 119.914 0.139 0.000 2.567 643 V HA 0.566 4.686 4.120 0.001 0.000 0.298 643 V C -1.761 174.484 176.094 0.252 0.000 1.047 643 V CA -0.421 61.961 62.300 0.137 0.000 0.880 643 V CB 1.671 33.524 31.823 0.050 0.000 1.009 643 V HN 0.694 nan 8.190 nan 0.000 0.429 644 F N 7.423 127.450 119.950 0.129 0.000 2.332 644 F HA 0.595 5.123 4.527 0.001 0.000 0.368 644 F C -0.247 175.725 175.800 0.287 0.000 1.110 644 F CA -1.211 56.911 58.000 0.203 0.000 1.087 644 F CB 1.192 40.202 39.000 0.017 0.000 1.235 644 F HN 0.390 nan 8.300 nan 0.000 0.470 645 L N 8.575 130.167 121.223 0.614 0.000 2.315 645 L HA 0.302 4.642 4.340 0.001 0.000 0.283 645 L C -1.893 175.245 176.870 0.446 0.000 1.089 645 L CA -1.816 53.272 54.840 0.412 0.000 0.833 645 L CB 0.494 42.722 42.059 0.282 0.000 1.170 645 L HN 0.419 nan 8.230 nan 0.000 0.442 646 P HA 0.002 nan 4.420 nan 0.000 0.269 646 P C -0.303 176.970 177.300 -0.045 0.000 1.209 646 P CA 0.071 63.054 63.100 -0.194 0.000 0.776 646 P CB 0.766 32.139 31.700 -0.544 0.000 0.876 647 D N 0.046 120.414 120.400 -0.053 0.000 2.767 647 D HA -0.215 4.426 4.640 0.001 0.000 0.239 647 D C -0.840 175.515 176.300 0.090 0.000 1.103 647 D CA 0.392 54.383 54.000 -0.015 0.000 0.710 647 D CB -2.075 38.698 40.800 -0.046 0.000 1.084 647 D HN 0.396 nan 8.370 nan 0.000 0.435 648 Y N 0.875 121.213 120.300 0.062 0.000 2.620 648 Y HA 0.292 4.843 4.550 0.001 0.000 0.330 648 Y C 0.884 176.808 175.900 0.040 0.000 1.186 648 Y CA 0.454 58.612 58.100 0.098 0.000 1.467 648 Y CB 0.186 38.724 38.460 0.131 0.000 1.262 648 Y HN 0.441 nan 8.280 nan 0.000 0.550 649 C N 2.964 121.928 119.300 -0.560 0.000 3.293 649 C HA 0.433 4.893 4.460 0.001 0.000 0.362 649 C C 1.033 175.755 174.990 -0.446 0.000 1.539 649 C CA -0.433 58.318 59.018 -0.444 0.000 1.201 649 C CB 0.509 28.132 27.740 -0.195 0.000 1.770 649 C HN 0.641 nan 8.230 nan 0.000 0.440 650 V N 1.405 121.192 119.914 -0.213 0.000 2.332 650 V HA -0.165 3.956 4.120 0.001 0.000 0.248 650 V C 2.629 178.696 176.094 -0.044 0.000 1.055 650 V CA 2.980 65.250 62.300 -0.050 0.000 1.038 650 V CB -0.972 30.836 31.823 -0.024 0.000 0.651 650 V HN 0.949 nan 8.190 nan 0.000 0.450 651 S N -0.425 115.222 115.700 -0.090 0.000 2.447 651 S HA -0.030 4.441 4.470 0.001 0.000 0.233 651 S C 2.082 176.628 174.600 -0.090 0.000 1.006 651 S CA 1.155 59.306 58.200 -0.083 0.000 0.957 651 S CB -0.221 62.940 63.200 -0.064 0.000 0.773 651 S HN 0.661 nan 8.310 nan 0.000 0.507 652 A N 1.249 124.032 122.820 -0.062 0.000 1.935 652 A HA 0.387 4.708 4.320 0.001 0.000 0.214 652 A C 2.305 179.918 177.584 0.049 0.000 1.178 652 A CA 1.161 53.217 52.037 0.032 0.000 0.640 652 A CB -0.925 18.193 19.000 0.196 0.000 0.825 652 A HN 0.464 nan 8.150 nan 0.000 0.447 653 A N 0.341 123.167 122.820 0.010 0.000 1.908 653 A HA -0.211 4.110 4.320 0.001 0.000 0.218 653 A C 1.819 179.549 177.584 0.243 0.000 1.181 653 A CA 1.689 53.829 52.037 0.171 0.000 0.627 653 A CB -0.609 18.494 19.000 0.171 0.000 0.818 653 A HN 0.625 nan 8.150 nan 0.000 0.445 654 E N -0.560 119.773 120.200 0.222 0.000 2.267 654 E HA -0.205 4.146 4.350 0.001 0.000 0.197 654 E C 1.847 178.458 176.600 0.018 0.000 0.998 654 E CA 1.373 57.857 56.400 0.141 0.000 0.830 654 E CB -0.083 29.598 29.700 -0.031 0.000 0.751 654 E HN 0.645 nan 8.360 nan 0.000 0.491 655 K N -0.079 120.275 120.400 -0.076 0.000 2.214 655 K HA 0.079 4.400 4.320 0.001 0.000 0.201 655 K C 2.058 178.665 176.600 0.013 0.000 1.049 655 K CA 0.162 56.368 56.287 -0.135 0.000 0.978 655 K CB 0.185 32.409 32.500 -0.459 0.000 0.842 655 K HN -0.028 nan 8.250 nan 0.000 0.474 656 L N 0.914 122.185 121.223 0.079 0.000 2.005 656 L HA -0.153 4.188 4.340 0.001 0.000 0.207 656 L C 2.274 179.219 176.870 0.124 0.000 1.072 656 L CA 1.241 56.166 54.840 0.141 0.000 0.744 656 L CB -0.420 41.753 42.059 0.190 0.000 0.895 656 L HN 0.121 nan 8.230 nan 0.000 0.433 657 I N -0.088 120.553 120.570 0.118 0.000 2.118 657 I HA -0.252 3.918 4.170 0.001 0.000 0.241 657 I C -0.465 175.701 176.117 0.082 0.000 1.070 657 I CA 1.714 63.066 61.300 0.087 0.000 1.327 657 I CB -1.271 36.774 38.000 0.075 0.000 1.034 657 I HN 0.213 nan 8.210 nan 0.000 0.405 658 P HA -0.140 nan 4.420 nan 0.000 0.226 658 P C 0.627 177.950 177.300 0.037 0.000 1.146 658 P CA 1.422 64.550 63.100 0.047 0.000 0.773 658 P CB -0.034 31.687 31.700 0.035 0.000 0.772 659 A N -1.517 121.355 122.820 0.087 0.000 2.390 659 A HA 0.543 4.864 4.320 0.001 0.000 0.232 659 A C 1.088 178.760 177.584 0.147 0.000 1.233 659 A CA 0.021 52.124 52.037 0.109 0.000 0.907 659 A CB -0.376 18.763 19.000 0.232 0.000 0.967 659 A HN 0.181 nan 8.150 nan 0.000 0.512 660 A N 0.122 123.021 122.820 0.132 0.000 2.425 660 A HA 0.445 4.765 4.320 0.001 0.000 0.249 660 A C 0.392 178.058 177.584 0.137 0.000 1.084 660 A CA 0.042 52.161 52.037 0.137 0.000 0.781 660 A CB 0.270 19.323 19.000 0.089 0.000 1.019 660 A HN 0.310 nan 8.150 nan 0.000 0.490 661 D N 0.577 121.072 120.400 0.158 0.000 2.490 661 D HA 0.144 4.785 4.640 0.001 0.000 0.244 661 D C 0.115 176.611 176.300 0.326 0.000 0.979 661 D CA 0.878 55.047 54.000 0.282 0.000 0.924 661 D CB 0.259 41.139 40.800 0.133 0.000 1.075 661 D HN 0.366 nan 8.370 nan 0.000 0.488 662 I N 1.351 122.011 120.570 0.149 0.000 2.433 662 I HA 0.120 4.290 4.170 0.001 0.000 0.292 662 I C -0.024 176.118 176.117 0.041 0.000 1.001 662 I CA -0.457 60.905 61.300 0.103 0.000 1.119 662 I CB 1.757 39.760 38.000 0.004 0.000 1.289 662 I HN -0.187 nan 8.210 nan 0.000 0.438 663 S N 6.755 122.486 115.700 0.052 0.000 2.474 663 S HA 0.321 4.791 4.470 0.001 0.000 0.320 663 S C -0.155 174.460 174.600 0.025 0.000 1.067 663 S CA -0.669 57.541 58.200 0.017 0.000 1.127 663 S CB 0.380 63.588 63.200 0.012 0.000 0.971 663 S HN 0.433 nan 8.310 nan 0.000 0.472 664 E N 3.754 123.952 120.200 -0.003 0.000 2.328 664 E HA 0.113 4.464 4.350 0.001 0.000 0.265 664 E C -0.171 176.432 176.600 0.004 0.000 1.057 664 E CA 0.146 56.561 56.400 0.025 0.000 0.916 664 E CB 0.539 30.226 29.700 -0.022 0.000 0.993 664 E HN 0.679 nan 8.360 nan 0.000 0.446 665 Q N 2.904 122.732 119.800 0.046 0.000 3.230 665 Q HA 0.216 4.556 4.340 0.001 0.000 0.303 665 Q C 0.748 176.761 176.000 0.022 0.000 0.884 665 Q CA -0.097 55.712 55.803 0.009 0.000 0.859 665 Q CB 0.126 28.858 28.738 -0.011 0.000 1.432 665 Q HN 0.603 nan 8.270 nan 0.000 0.403 666 I N -2.355 118.226 120.570 0.018 0.000 3.858 666 I HA 0.249 4.419 4.170 0.001 0.000 0.325 666 I C 0.025 176.110 176.117 -0.053 0.000 1.403 666 I CA -0.389 60.909 61.300 -0.004 0.000 1.169 666 I CB 0.303 38.273 38.000 -0.049 0.000 1.077 666 I HN -0.147 nan 8.210 nan 0.000 0.403 667 S N 1.258 116.941 115.700 -0.028 0.000 2.579 667 S HA 0.120 4.591 4.470 0.001 0.000 0.275 667 S C 0.610 175.200 174.600 -0.018 0.000 1.345 667 S CA -0.303 57.911 58.200 0.024 0.000 1.031 667 S CB 0.487 63.750 63.200 0.105 0.000 0.892 667 S HN 0.418 nan 8.310 nan 0.000 0.529 668 T N 2.930 117.504 114.554 0.034 0.000 2.866 668 T HA 0.196 4.547 4.350 0.001 0.000 0.293 668 T C 0.693 175.365 174.700 -0.047 0.000 1.005 668 T CA 0.059 62.176 62.100 0.028 0.000 1.162 668 T CB -0.088 68.889 68.868 0.182 0.000 0.968 668 T HN 0.805 nan 8.240 nan 0.000 0.530 669 A N 3.204 125.976 122.820 -0.080 0.000 2.563 669 A HA 0.429 4.750 4.320 0.001 0.000 0.256 669 A C 1.663 179.200 177.584 -0.078 0.000 1.056 669 A CA 0.295 52.276 52.037 -0.092 0.000 0.775 669 A CB -1.051 17.894 19.000 -0.091 0.000 0.973 669 A HN 1.713 nan 8.150 nan 0.000 0.516 670 G N 2.242 110.990 108.800 -0.087 0.000 2.176 670 G HA2 -0.190 3.771 3.960 0.001 0.000 0.232 670 G HA3 -0.190 3.771 3.960 0.001 0.000 0.232 670 G C 0.798 175.610 174.900 -0.147 0.000 0.986 670 G CA 0.441 45.486 45.100 -0.092 0.000 0.643 670 G HN 0.648 nan 8.290 nan 0.000 0.522 671 K N 0.001 120.277 120.400 -0.206 0.000 2.367 671 K HA 0.248 4.568 4.320 0.001 0.000 0.194 671 K C 0.349 176.692 176.600 -0.428 0.000 1.027 671 K CA 0.256 56.269 56.287 -0.458 0.000 1.075 671 K CB 0.764 32.839 32.500 -0.709 0.000 0.845 671 K HN 0.409 nan 8.250 nan 0.000 0.529 672 E N -0.081 120.006 120.200 -0.189 0.000 2.185 672 E HA 0.364 4.715 4.350 0.001 0.000 0.261 672 E C -0.141 176.404 176.600 -0.091 0.000 0.879 672 E CA -0.232 56.110 56.400 -0.098 0.000 0.756 672 E CB 1.629 31.305 29.700 -0.040 0.000 1.152 672 E HN 0.038 nan 8.360 nan 0.000 0.416 673 A N 2.763 125.517 122.820 -0.110 0.000 2.123 673 A HA 0.096 4.416 4.320 0.001 0.000 0.214 673 A C 1.455 178.956 177.584 -0.139 0.000 1.152 673 A CA 1.347 53.289 52.037 -0.159 0.000 0.728 673 A CB 0.127 18.861 19.000 -0.443 0.000 0.814 673 A HN 0.526 nan 8.150 nan 0.000 0.464 674 S N -2.932 112.709 115.700 -0.098 0.000 6.019 674 S HA 0.446 4.917 4.470 0.001 0.000 0.113 674 S C 0.587 175.137 174.600 -0.084 0.000 1.136 674 S CA 1.413 59.567 58.200 -0.077 0.000 1.404 674 S CB -0.265 62.898 63.200 -0.061 0.000 2.048 674 S HN 2.192 nan 8.310 nan 0.000 0.602 675 G N 0.516 109.272 108.800 -0.074 0.000 2.777 675 G HA2 0.000 3.961 3.960 0.001 0.000 0.686 675 G HA3 0.000 3.961 3.960 0.001 0.000 0.686 675 G C 0.298 175.121 174.900 -0.127 0.000 1.177 675 G CA 0.518 45.566 45.100 -0.087 0.000 0.775 675 G HN 1.444 nan 8.290 nan 0.000 0.613 676 T N -0.761 113.713 114.554 -0.135 0.000 3.026 676 T HA 0.354 4.705 4.350 0.001 0.000 0.245 676 T C 2.580 177.138 174.700 -0.237 0.000 1.004 676 T CA 1.319 63.314 62.100 -0.176 0.000 1.069 676 T CB 0.006 68.788 68.868 -0.143 0.000 1.005 676 T HN 1.856 nan 8.240 nan 0.000 0.472 677 G N 3.579 112.250 108.800 -0.216 0.000 2.513 677 G HA2 -0.371 3.590 3.960 0.001 0.000 0.219 677 G HA3 -0.371 3.590 3.960 0.001 0.000 0.219 677 G C 1.575 176.348 174.900 -0.212 0.000 1.160 677 G CA 1.530 46.490 45.100 -0.233 0.000 0.767 677 G HN 0.701 nan 8.290 nan 0.000 0.571 678 N N 0.610 119.201 118.700 -0.181 0.000 2.289 678 N HA -0.078 4.662 4.740 0.001 0.000 0.184 678 N C 1.998 177.385 175.510 -0.205 0.000 1.016 678 N CA 1.580 54.532 53.050 -0.163 0.000 0.872 678 N CB -0.552 37.845 38.487 -0.150 0.000 0.973 678 N HN 0.441 nan 8.380 nan 0.000 0.433 679 M N 0.114 119.542 119.600 -0.287 0.000 2.236 679 M HA 0.040 4.521 4.480 0.001 0.000 0.266 679 M C 1.834 178.050 176.300 -0.140 0.000 1.070 679 M CA 1.266 56.375 55.300 -0.319 0.000 1.137 679 M CB -0.110 32.255 32.600 -0.393 0.000 1.378 679 M HN 0.105 nan 8.290 nan 0.000 0.426 680 K N 0.846 121.131 120.400 -0.192 0.000 2.007 680 K HA -0.038 4.283 4.320 0.001 0.000 0.206 680 K C 1.841 178.389 176.600 -0.088 0.000 1.047 680 K CA 1.137 57.321 56.287 -0.171 0.000 0.937 680 K CB -0.404 31.837 32.500 -0.432 0.000 0.718 680 K HN 0.204 nan 8.250 nan 0.000 0.438 681 L N 1.073 122.234 121.223 -0.104 0.000 2.131 681 L HA -0.190 4.150 4.340 0.001 0.000 0.210 681 L C 2.605 179.473 176.870 -0.003 0.000 1.092 681 L CA 1.183 56.000 54.840 -0.039 0.000 0.759 681 L CB -0.583 41.453 42.059 -0.037 0.000 0.903 681 L HN 0.243 nan 8.230 nan 0.000 0.435 682 A N 0.049 122.861 122.820 -0.013 0.000 1.855 682 A HA -0.144 4.177 4.320 0.001 0.000 0.215 682 A C 2.241 179.856 177.584 0.052 0.000 1.191 682 A CA 1.346 53.394 52.037 0.019 0.000 0.613 682 A CB -0.785 18.224 19.000 0.013 0.000 0.829 682 A HN 0.327 nan 8.150 nan 0.000 0.442 683 L N 0.019 121.278 121.223 0.061 0.000 2.187 683 L HA -0.168 4.173 4.340 0.001 0.000 0.213 683 L C 1.657 178.567 176.870 0.067 0.000 1.100 683 L CA 0.946 55.834 54.840 0.079 0.000 0.765 683 L CB -0.384 41.733 42.059 0.097 0.000 0.904 683 L HN 0.431 nan 8.230 nan 0.000 0.437 684 N N 0.064 118.797 118.700 0.055 0.000 2.370 684 N HA 0.032 4.772 4.740 0.001 0.000 0.198 684 N C 0.869 176.402 175.510 0.039 0.000 1.156 684 N CA 0.864 53.936 53.050 0.036 0.000 0.839 684 N CB 0.602 39.113 38.487 0.040 0.000 0.989 684 N HN 0.394 nan 8.380 nan 0.000 0.468 685 G N 0.449 109.309 108.800 0.100 0.000 2.203 685 G HA2 -0.159 3.801 3.960 0.001 0.000 0.231 685 G HA3 -0.159 3.801 3.960 0.001 0.000 0.231 685 G C -0.182 174.798 174.900 0.134 0.000 1.058 685 G CA 0.080 45.279 45.100 0.165 0.000 0.781 685 G HN 0.483 nan 8.290 nan 0.000 0.496 686 A N -0.151 122.722 122.820 0.088 0.000 2.337 686 A HA 0.888 5.208 4.320 0.001 0.000 0.329 686 A C 0.265 177.871 177.584 0.037 0.000 1.146 686 A CA -0.701 51.397 52.037 0.101 0.000 0.800 686 A CB 1.100 20.153 19.000 0.089 0.000 1.220 686 A HN 0.813 nan 8.150 nan 0.000 0.472 687 L N 1.296 122.532 121.223 0.022 0.000 2.350 687 L HA 0.420 4.761 4.340 0.001 0.000 0.275 687 L C 0.285 177.227 176.870 0.121 0.000 1.099 687 L CA -0.330 54.502 54.840 -0.013 0.000 0.808 687 L CB 1.442 43.394 42.059 -0.178 0.000 1.149 687 L HN 0.665 nan 8.230 nan 0.000 0.442 688 T N 1.874 116.511 114.554 0.138 0.000 2.799 688 T HA 0.343 4.693 4.350 0.001 0.000 0.286 688 T C 0.007 174.873 174.700 0.276 0.000 0.973 688 T CA -0.380 61.813 62.100 0.156 0.000 1.035 688 T CB 1.512 70.429 68.868 0.083 0.000 0.932 688 T HN 0.255 nan 8.240 nan 0.000 0.469 689 V N 3.746 123.806 119.914 0.244 0.000 2.217 689 V HA 0.585 4.706 4.120 0.001 0.000 0.264 689 V C 0.782 177.108 176.094 0.386 0.000 1.107 689 V CA -0.529 61.966 62.300 0.325 0.000 0.913 689 V CB 0.271 32.211 31.823 0.194 0.000 1.153 689 V HN 1.017 nan 8.190 nan 0.000 0.469 690 G N 2.127 111.124 108.800 0.328 0.000 2.788 690 G HA2 0.730 4.691 3.960 0.001 0.000 0.293 690 G HA3 0.730 4.691 3.960 0.001 0.000 0.293 690 G C -0.117 174.727 174.900 -0.092 0.000 1.305 690 G CA -0.258 44.940 45.100 0.163 0.000 1.005 690 G HN 0.507 nan 8.290 nan 0.000 0.496 691 T N -1.927 112.455 114.554 -0.287 0.000 2.862 691 T HA 0.451 4.802 4.350 0.001 0.000 0.276 691 T C 0.662 175.237 174.700 -0.208 0.000 0.974 691 T CA -0.769 61.067 62.100 -0.440 0.000 0.966 691 T CB 1.339 69.947 68.868 -0.435 0.000 1.072 691 T HN 0.298 nan 8.240 nan 0.000 0.538 692 L N 1.645 122.759 121.223 -0.181 0.000 2.821 692 L HA 0.320 4.660 4.340 0.001 0.000 0.239 692 L C -0.347 176.476 176.870 -0.079 0.000 1.391 692 L CA 0.276 55.056 54.840 -0.099 0.000 1.231 692 L CB -1.263 40.751 42.059 -0.075 0.000 1.598 692 L HN 0.811 nan 8.230 nan 0.000 0.428 693 D N -0.779 119.572 120.400 -0.080 0.000 2.596 693 D HA 0.627 5.267 4.640 0.001 0.000 0.262 693 D C 0.334 176.601 176.300 -0.056 0.000 1.210 693 D CA 0.685 54.648 54.000 -0.063 0.000 0.873 693 D CB 1.773 42.528 40.800 -0.074 0.000 1.408 693 D HN 0.250 nan 8.370 nan 0.000 0.441 694 G N 0.225 108.999 108.800 -0.044 0.000 2.547 694 G HA2 -0.065 3.896 3.960 0.001 0.000 0.271 694 G HA3 -0.065 3.896 3.960 0.001 0.000 0.271 694 G C 0.986 175.863 174.900 -0.038 0.000 1.209 694 G CA 0.733 45.804 45.100 -0.047 0.000 0.959 694 G HN 1.285 nan 8.290 nan 0.000 0.563 695 A N -0.427 122.349 122.820 -0.073 0.000 2.119 695 A HA 0.107 4.428 4.320 0.001 0.000 0.216 695 A C 2.125 179.655 177.584 -0.089 0.000 1.152 695 A CA 1.932 53.908 52.037 -0.101 0.000 0.708 695 A CB -0.504 18.355 19.000 -0.236 0.000 0.805 695 A HN 0.686 nan 8.150 nan 0.000 0.460 696 N N 0.811 119.465 118.700 -0.076 0.000 2.036 696 N HA -0.199 4.542 4.740 0.001 0.000 0.199 696 N C 1.730 177.233 175.510 -0.011 0.000 1.036 696 N CA 1.890 54.912 53.050 -0.047 0.000 0.870 696 N CB -0.855 37.603 38.487 -0.048 0.000 1.055 696 N HN 0.264 nan 8.380 nan 0.000 0.436 697 V N 1.730 121.639 119.914 -0.008 0.000 2.218 697 V HA -0.288 3.833 4.120 0.001 0.000 0.251 697 V C 2.296 178.421 176.094 0.051 0.000 1.057 697 V CA 1.934 64.241 62.300 0.013 0.000 1.022 697 V CB -0.704 31.126 31.823 0.012 0.000 0.645 697 V HN 0.332 nan 8.190 nan 0.000 0.451 698 E N -0.231 120.027 120.200 0.096 0.000 2.055 698 E HA -0.276 4.075 4.350 0.001 0.000 0.209 698 E C 2.138 178.875 176.600 0.229 0.000 1.036 698 E CA 2.399 58.916 56.400 0.196 0.000 0.849 698 E CB -0.472 29.454 29.700 0.377 0.000 0.767 698 E HN 0.635 nan 8.360 nan 0.000 0.461 699 I N 1.005 121.733 120.570 0.263 0.000 2.118 699 I HA -0.349 3.822 4.170 0.001 0.000 0.241 699 I C 2.623 178.800 176.117 0.099 0.000 1.070 699 I CA 1.447 62.881 61.300 0.223 0.000 1.327 699 I CB -0.463 37.585 38.000 0.080 0.000 1.034 699 I HN 0.076 nan 8.210 nan 0.000 0.405 700 A N 0.416 123.266 122.820 0.050 0.000 1.892 700 A HA -0.313 4.007 4.320 0.001 0.000 0.218 700 A C 2.375 179.962 177.584 0.005 0.000 1.188 700 A CA 2.316 54.359 52.037 0.011 0.000 0.631 700 A CB -0.808 18.194 19.000 0.002 0.000 0.822 700 A HN 0.630 nan 8.150 nan 0.000 0.447 701 E N -0.502 119.710 120.200 0.019 0.000 2.072 701 E HA -0.230 4.121 4.350 0.001 0.000 0.191 701 E C 1.647 178.244 176.600 -0.005 0.000 0.985 701 E CA 1.326 57.728 56.400 0.003 0.000 0.801 701 E CB -0.170 29.534 29.700 0.007 0.000 0.750 701 E HN 0.401 nan 8.360 nan 0.000 0.452 702 K N 0.962 121.369 120.400 0.011 0.000 1.984 702 K HA -0.097 4.224 4.320 0.001 0.000 0.209 702 K C 2.493 179.081 176.600 -0.020 0.000 1.046 702 K CA 1.532 57.809 56.287 -0.015 0.000 0.934 702 K CB -1.175 31.309 32.500 -0.027 0.000 0.717 702 K HN 0.329 nan 8.250 nan 0.000 0.438 703 V N -1.598 118.313 119.914 -0.006 0.000 2.427 703 V HA 0.144 4.265 4.120 0.001 0.000 0.248 703 V C 0.877 176.937 176.094 -0.057 0.000 1.051 703 V CA 1.292 63.574 62.300 -0.030 0.000 1.048 703 V CB -1.019 30.787 31.823 -0.029 0.000 0.666 703 V HN 0.430 nan 8.190 nan 0.000 0.456 704 G N 0.695 109.461 108.800 -0.056 0.000 3.014 704 G HA2 -0.028 3.933 3.960 0.001 0.000 0.683 704 G HA3 -0.028 3.933 3.960 0.001 0.000 0.683 704 G C -0.159 174.686 174.900 -0.091 0.000 1.271 704 G CA 0.139 45.198 45.100 -0.069 0.000 0.843 704 G HN 0.820 nan 8.290 nan 0.000 0.612 705 E N 1.344 121.494 120.200 -0.083 0.000 2.147 705 E HA -0.227 4.123 4.350 0.001 0.000 0.199 705 E C 1.773 178.279 176.600 -0.156 0.000 1.005 705 E CA 2.275 58.615 56.400 -0.100 0.000 0.810 705 E CB -0.203 29.456 29.700 -0.070 0.000 0.736 705 E HN 0.693 nan 8.360 nan 0.000 0.460 706 E N 1.103 121.219 120.200 -0.140 0.000 2.130 706 E HA -0.160 4.191 4.350 0.001 0.000 0.196 706 E C 0.956 177.406 176.600 -0.250 0.000 0.998 706 E CA 1.412 57.713 56.400 -0.166 0.000 0.806 706 E CB -0.319 29.311 29.700 -0.116 0.000 0.738 706 E HN 0.364 nan 8.360 nan 0.000 0.459 707 N N 0.225 118.786 118.700 -0.232 0.000 2.295 707 N HA 0.201 4.942 4.740 0.001 0.000 0.221 707 N C -0.327 174.992 175.510 -0.319 0.000 1.129 707 N CA 0.099 52.984 53.050 -0.275 0.000 0.836 707 N CB 0.863 39.237 38.487 -0.189 0.000 1.040 707 N HN 0.195 nan 8.380 nan 0.000 0.494 708 I N -0.727 119.609 120.570 -0.390 0.000 2.827 708 I HA 0.351 4.521 4.170 0.001 0.000 0.298 708 I C -1.382 174.486 176.117 -0.414 0.000 1.235 708 I CA -0.902 60.219 61.300 -0.298 0.000 1.021 708 I CB 1.687 39.617 38.000 -0.116 0.000 1.259 708 I HN -0.256 nan 8.210 nan 0.000 0.427 709 F N 7.571 127.543 119.950 0.036 0.000 2.366 709 F HA 0.405 4.933 4.527 0.001 0.000 0.328 709 F C -0.043 175.859 175.800 0.170 0.000 1.180 709 F CA -0.569 57.484 58.000 0.089 0.000 1.232 709 F CB 0.193 39.247 39.000 0.091 0.000 1.513 709 F HN 0.067 nan 8.300 nan 0.000 0.540 710 I N 3.745 124.443 120.570 0.213 0.000 2.452 710 I HA 0.116 4.287 4.170 0.001 0.000 0.287 710 I C 0.071 176.320 176.117 0.219 0.000 1.079 710 I CA -0.205 61.194 61.300 0.164 0.000 1.387 710 I CB -0.507 37.520 38.000 0.046 0.000 1.404 710 I HN 0.322 nan 8.210 nan 0.000 0.522 711 F N 3.955 123.948 119.950 0.071 0.000 2.764 711 F HA 0.938 5.465 4.527 0.001 0.000 0.347 711 F C 0.346 176.152 175.800 0.010 0.000 1.151 711 F CA -0.624 57.408 58.000 0.054 0.000 1.021 711 F CB 0.808 39.869 39.000 0.101 0.000 1.438 711 F HN 0.710 nan 8.300 nan 0.000 0.516 712 G N 0.135 108.947 108.800 0.020 0.000 2.796 712 G HA2 -0.096 3.865 3.960 0.001 0.000 0.571 712 G HA3 -0.096 3.865 3.960 0.001 0.000 0.571 712 G C -1.465 173.316 174.900 -0.199 0.000 1.370 712 G CA -0.571 44.437 45.100 -0.152 0.000 0.856 712 G HN 1.209 nan 8.290 nan 0.000 0.538 713 H N 0.832 119.867 119.070 -0.058 0.000 2.886 713 H HA 0.453 5.010 4.556 0.001 0.000 0.329 713 H C 1.606 176.879 175.328 -0.092 0.000 1.044 713 H CA 0.825 56.840 56.048 -0.056 0.000 1.456 713 H CB 0.717 30.432 29.762 -0.078 0.000 1.464 713 H HN 0.903 nan 8.280 nan 0.000 0.573 714 T N -0.239 114.336 114.554 0.035 0.000 2.680 714 T HA -0.043 4.307 4.350 0.001 0.000 0.314 714 T C 1.698 176.390 174.700 -0.013 0.000 1.045 714 T CA -0.379 61.715 62.100 -0.011 0.000 1.025 714 T CB 0.471 69.337 68.868 -0.003 0.000 1.000 714 T HN 0.320 nan 8.240 nan 0.000 0.535 715 V N 1.751 121.645 119.914 -0.033 0.000 2.231 715 V HA -0.186 3.935 4.120 0.001 0.000 0.250 715 V C 2.912 178.984 176.094 -0.038 0.000 1.058 715 V CA 2.102 64.377 62.300 -0.042 0.000 1.022 715 V CB -0.883 30.915 31.823 -0.042 0.000 0.640 715 V HN 0.795 nan 8.190 nan 0.000 0.445 716 K N -0.005 120.380 120.400 -0.025 0.000 2.026 716 K HA -0.169 4.152 4.320 0.001 0.000 0.208 716 K C 2.204 178.790 176.600 -0.023 0.000 1.048 716 K CA 1.472 57.745 56.287 -0.023 0.000 0.929 716 K CB -0.717 31.776 32.500 -0.013 0.000 0.713 716 K HN 0.615 nan 8.250 nan 0.000 0.439 717 Q N 0.323 120.123 119.800 -0.001 0.000 2.045 717 Q HA -0.159 4.182 4.340 0.001 0.000 0.206 717 Q C 2.125 178.071 176.000 -0.090 0.000 0.991 717 Q CA 1.850 57.656 55.803 0.006 0.000 0.851 717 Q CB -0.440 28.369 28.738 0.119 0.000 0.911 717 Q HN 0.051 nan 8.270 nan 0.000 0.418 718 V N 1.597 121.457 119.914 -0.092 0.000 2.252 718 V HA -0.330 3.791 4.120 0.001 0.000 0.249 718 V C 2.228 178.222 176.094 -0.167 0.000 1.056 718 V CA 2.081 64.273 62.300 -0.180 0.000 1.022 718 V CB -0.681 31.066 31.823 -0.128 0.000 0.641 718 V HN 0.341 nan 8.190 nan 0.000 0.445 719 K N 0.192 120.529 120.400 -0.104 0.000 2.015 719 K HA -0.264 4.057 4.320 0.001 0.000 0.216 719 K C 2.370 178.925 176.600 -0.075 0.000 1.052 719 K CA 1.829 58.066 56.287 -0.084 0.000 0.937 719 K CB -0.651 31.815 32.500 -0.057 0.000 0.719 719 K HN 0.487 nan 8.250 nan 0.000 0.446 720 A N 1.549 124.333 122.820 -0.060 0.000 1.892 720 A HA -0.216 4.105 4.320 0.001 0.000 0.218 720 A C 2.192 179.752 177.584 -0.040 0.000 1.188 720 A CA 1.679 53.693 52.037 -0.037 0.000 0.631 720 A CB -0.753 18.237 19.000 -0.017 0.000 0.822 720 A HN 0.248 nan 8.150 nan 0.000 0.447 721 I N -0.418 120.096 120.570 -0.094 0.000 2.127 721 I HA -0.294 3.877 4.170 0.001 0.000 0.241 721 I C 2.377 178.468 176.117 -0.043 0.000 1.075 721 I CA 1.470 62.715 61.300 -0.092 0.000 1.334 721 I CB -0.299 37.523 38.000 -0.298 0.000 1.040 721 I HN 0.314 nan 8.210 nan 0.000 0.405 722 L N 0.052 121.214 121.223 -0.101 0.000 2.141 722 L HA -0.131 4.210 4.340 0.001 0.000 0.209 722 L C 2.719 179.584 176.870 -0.009 0.000 1.094 722 L CA 1.034 55.849 54.840 -0.042 0.000 0.763 722 L CB -0.694 41.309 42.059 -0.094 0.000 0.908 722 L HN 0.232 nan 8.230 nan 0.000 0.437 723 A N 0.160 122.966 122.820 -0.022 0.000 1.929 723 A HA -0.113 4.207 4.320 0.001 0.000 0.216 723 A C 2.029 179.619 177.584 0.010 0.000 1.176 723 A CA 1.087 53.118 52.037 -0.009 0.000 0.628 723 A CB -0.145 18.845 19.000 -0.017 0.000 0.816 723 A HN 0.302 nan 8.150 nan 0.000 0.444 724 K N -0.474 119.939 120.400 0.021 0.000 2.469 724 K HA 0.337 4.658 4.320 0.001 0.000 0.201 724 K C 0.101 176.738 176.600 0.063 0.000 1.028 724 K CA 0.379 56.688 56.287 0.037 0.000 1.170 724 K CB -0.003 32.520 32.500 0.038 0.000 0.874 724 K HN 0.598 nan 8.250 nan 0.000 0.507 725 G N 2.215 111.062 108.800 0.078 0.000 3.269 725 G HA2 -0.263 3.698 3.960 0.001 0.000 0.668 725 G HA3 -0.263 3.698 3.960 0.001 0.000 0.668 725 G C -1.458 173.554 174.900 0.188 0.000 1.100 725 G CA -0.854 44.308 45.100 0.104 0.000 0.940 725 G HN 0.274 nan 8.290 nan 0.000 0.438 726 Y N 2.807 123.129 120.300 0.037 0.000 2.334 726 Y HA 0.623 5.174 4.550 0.001 0.000 0.336 726 Y C -0.467 175.481 175.900 0.080 0.000 0.960 726 Y CA -1.893 56.246 58.100 0.065 0.000 1.164 726 Y CB 1.990 40.446 38.460 -0.008 0.000 1.155 726 Y HN 0.500 nan 8.280 nan 0.000 0.478 727 D N 8.976 129.274 120.400 -0.169 0.000 2.414 727 D HA 0.362 5.003 4.640 0.001 0.000 0.232 727 D C -2.091 173.994 176.300 -0.358 0.000 1.070 727 D CA -2.640 51.215 54.000 -0.242 0.000 0.839 727 D CB 2.039 42.817 40.800 -0.037 0.000 1.079 727 D HN 0.307 nan 8.370 nan 0.000 0.521 728 P HA -0.127 nan 4.420 nan 0.000 0.217 728 P C 1.619 178.931 177.300 0.019 0.000 1.151 728 P CA 0.655 63.527 63.100 -0.380 0.000 0.828 728 P CB 0.007 31.497 31.700 -0.350 0.000 0.788 729 V N -0.349 119.561 119.914 -0.006 0.000 2.490 729 V HA -0.227 3.893 4.120 0.001 0.000 0.250 729 V C 2.455 178.590 176.094 0.069 0.000 1.061 729 V CA 2.111 64.432 62.300 0.035 0.000 1.064 729 V CB -1.445 30.385 31.823 0.012 0.000 0.670 729 V HN -0.016 nan 8.190 nan 0.000 0.461 730 K N -0.618 119.826 120.400 0.074 0.000 2.000 730 K HA -0.252 4.069 4.320 0.001 0.000 0.218 730 K C 1.865 178.486 176.600 0.034 0.000 1.053 730 K CA 2.735 59.036 56.287 0.023 0.000 0.946 730 K CB -0.585 31.907 32.500 -0.012 0.000 0.723 730 K HN 0.639 nan 8.250 nan 0.000 0.446 731 W N 0.879 122.186 121.300 0.012 0.000 2.301 731 W HA -0.216 4.445 4.660 0.001 0.000 0.325 731 W C 2.591 179.122 176.519 0.021 0.000 1.250 731 W CA 1.973 59.353 57.345 0.058 0.000 1.261 731 W CB -0.889 28.644 29.460 0.122 0.000 1.157 731 W HN 0.276 nan 8.180 nan 0.000 0.473 732 R N 0.826 121.472 120.500 0.244 0.000 2.168 732 R HA -0.282 4.059 4.340 0.001 0.000 0.242 732 R C 2.171 178.501 176.300 0.050 0.000 1.123 732 R CA 2.627 58.781 56.100 0.089 0.000 0.928 732 R CB -0.472 29.856 30.300 0.047 0.000 0.873 732 R HN -0.038 nan 8.270 nan 0.000 0.434 733 K N 0.314 120.740 120.400 0.043 0.000 2.097 733 K HA -0.110 4.211 4.320 0.001 0.000 0.206 733 K C 2.002 178.611 176.600 0.016 0.000 1.049 733 K CA 1.077 57.375 56.287 0.019 0.000 0.933 733 K CB -0.175 32.330 32.500 0.008 0.000 0.717 733 K HN 0.193 nan 8.250 nan 0.000 0.442 734 K N 1.220 121.630 120.400 0.016 0.000 2.097 734 K HA -0.088 4.233 4.320 0.001 0.000 0.206 734 K C 0.563 177.188 176.600 0.042 0.000 1.049 734 K CA 0.703 56.993 56.287 0.005 0.000 0.933 734 K CB -0.378 32.093 32.500 -0.047 0.000 0.717 734 K HN 0.156 nan 8.250 nan 0.000 0.442 735 D N 0.530 120.974 120.400 0.074 0.000 2.280 735 D HA 0.093 4.734 4.640 0.001 0.000 0.243 735 D C 0.421 176.748 176.300 0.046 0.000 1.129 735 D CA -0.014 54.040 54.000 0.090 0.000 0.848 735 D CB 1.169 42.053 40.800 0.141 0.000 1.107 735 D HN -0.181 nan 8.370 nan 0.000 0.471 736 K N 1.841 122.273 120.400 0.052 0.000 2.155 736 K HA -0.016 4.305 4.320 0.001 0.000 0.203 736 K C 1.796 178.416 176.600 0.034 0.000 1.052 736 K CA 0.536 56.843 56.287 0.034 0.000 0.948 736 K CB 0.314 32.834 32.500 0.033 0.000 0.728 736 K HN 0.232 nan 8.250 nan 0.000 0.448 737 V N 0.919 120.875 119.914 0.070 0.000 2.346 737 V HA -0.169 3.952 4.120 0.001 0.000 0.244 737 V C 1.973 178.062 176.094 -0.007 0.000 1.037 737 V CA 0.987 63.339 62.300 0.087 0.000 1.029 737 V CB -0.361 31.583 31.823 0.200 0.000 0.663 737 V HN 0.207 nan 8.190 nan 0.000 0.454 738 L N 1.068 122.199 121.223 -0.153 0.000 1.951 738 L HA -0.259 4.082 4.340 0.001 0.000 0.222 738 L C 2.242 178.972 176.870 -0.233 0.000 1.078 738 L CA 2.715 57.232 54.840 -0.539 0.000 0.778 738 L CB -1.171 40.503 42.059 -0.641 0.000 0.893 738 L HN 0.465 nan 8.230 nan 0.000 0.436 739 D N -0.847 119.481 120.400 -0.120 0.000 2.160 739 D HA -0.269 4.371 4.640 0.001 0.000 0.189 739 D C 2.047 178.330 176.300 -0.028 0.000 1.003 739 D CA 2.130 56.100 54.000 -0.051 0.000 0.846 739 D CB -0.328 40.462 40.800 -0.017 0.000 0.949 739 D HN 0.499 nan 8.370 nan 0.000 0.446 740 A N -0.163 122.648 122.820 -0.015 0.000 1.892 740 A HA -0.177 4.143 4.320 0.001 0.000 0.218 740 A C 2.686 180.280 177.584 0.016 0.000 1.188 740 A CA 2.063 54.102 52.037 0.004 0.000 0.631 740 A CB -1.019 17.988 19.000 0.010 0.000 0.822 740 A HN 0.257 nan 8.150 nan 0.000 0.447 741 V N -0.211 119.708 119.914 0.009 0.000 2.490 741 V HA -0.184 3.937 4.120 0.001 0.000 0.250 741 V C 2.398 178.518 176.094 0.043 0.000 1.061 741 V CA 1.547 63.871 62.300 0.040 0.000 1.064 741 V CB -0.557 31.294 31.823 0.047 0.000 0.670 741 V HN 0.480 nan 8.190 nan 0.000 0.461 742 L N -0.376 120.848 121.223 0.002 0.000 2.217 742 L HA -0.074 4.267 4.340 0.001 0.000 0.211 742 L C 2.244 179.150 176.870 0.061 0.000 1.107 742 L CA 1.638 56.493 54.840 0.025 0.000 0.783 742 L CB -1.184 40.878 42.059 0.005 0.000 0.919 742 L HN 0.346 nan 8.230 nan 0.000 0.442 743 K N -0.323 120.106 120.400 0.049 0.000 2.025 743 K HA -0.162 4.159 4.320 0.001 0.000 0.207 743 K C 1.944 178.587 176.600 0.072 0.000 1.049 743 K CA 1.146 57.463 56.287 0.050 0.000 0.933 743 K CB -0.052 32.464 32.500 0.027 0.000 0.714 743 K HN 0.284 nan 8.250 nan 0.000 0.438 744 E N 0.867 121.124 120.200 0.095 0.000 2.086 744 E HA -0.221 4.129 4.350 0.001 0.000 0.200 744 E C 1.890 178.640 176.600 0.249 0.000 1.012 744 E CA 1.365 57.850 56.400 0.143 0.000 0.812 744 E CB -0.119 29.735 29.700 0.256 0.000 0.743 744 E HN 0.225 nan 8.360 nan 0.000 0.453 745 L N 0.302 121.700 121.223 0.291 0.000 2.291 745 L HA -0.103 4.238 4.340 0.001 0.000 0.214 745 L C 2.106 179.171 176.870 0.325 0.000 1.120 745 L CA 0.734 55.801 54.840 0.378 0.000 0.799 745 L CB -0.128 42.062 42.059 0.218 0.000 0.925 745 L HN 0.102 nan 8.230 nan 0.000 0.446 746 E N -0.346 119.964 120.200 0.182 0.000 2.230 746 E HA -0.120 4.231 4.350 0.001 0.000 0.192 746 E C 2.207 178.837 176.600 0.050 0.000 0.987 746 E CA 1.030 57.499 56.400 0.115 0.000 0.841 746 E CB 0.153 29.907 29.700 0.090 0.000 0.783 746 E HN 0.402 nan 8.360 nan 0.000 0.481 747 S N -0.529 115.194 115.700 0.039 0.000 2.555 747 S HA 0.030 4.501 4.470 0.001 0.000 0.230 747 S C 1.599 176.167 174.600 -0.053 0.000 0.978 747 S CA 0.687 58.876 58.200 -0.018 0.000 0.934 747 S CB 0.121 63.304 63.200 -0.029 0.000 0.766 747 S HN 0.338 nan 8.310 nan 0.000 0.533 748 G N 1.503 110.283 108.800 -0.033 0.000 2.136 748 G HA2 -0.302 3.659 3.960 0.001 0.000 0.242 748 G HA3 -0.302 3.659 3.960 0.001 0.000 0.242 748 G C 0.618 175.471 174.900 -0.079 0.000 0.989 748 G CA 0.499 45.551 45.100 -0.080 0.000 0.682 748 G HN 0.564 nan 8.290 nan 0.000 0.522 749 K N -0.835 119.498 120.400 -0.113 0.000 2.148 749 K HA 0.010 4.330 4.320 0.001 0.000 0.204 749 K C 1.359 177.756 176.600 -0.339 0.000 1.050 749 K CA 1.337 57.453 56.287 -0.286 0.000 0.942 749 K CB -0.081 32.119 32.500 -0.499 0.000 0.724 749 K HN 0.516 nan 8.250 nan 0.000 0.446 750 Y N -0.174 120.183 120.300 0.095 0.000 2.524 750 Y HA 0.132 4.683 4.550 0.001 0.000 0.266 750 Y C 0.617 176.561 175.900 0.072 0.000 1.180 750 Y CA -0.220 57.941 58.100 0.102 0.000 1.244 750 Y CB 0.853 39.397 38.460 0.140 0.000 1.125 750 Y HN 0.032 nan 8.280 nan 0.000 0.524 751 S N -1.875 113.860 115.700 0.059 0.000 2.901 751 S HA 0.132 4.602 4.470 0.001 0.000 0.248 751 S C -0.450 174.107 174.600 -0.071 0.000 1.021 751 S CA -0.605 57.541 58.200 -0.089 0.000 1.090 751 S CB -0.360 62.626 63.200 -0.357 0.000 1.039 751 S HN 0.324 nan 8.310 nan 0.000 0.514 752 D N 1.539 121.913 120.400 -0.043 0.000 2.686 752 D HA -0.214 4.427 4.640 0.001 0.000 0.235 752 D C 1.187 177.451 176.300 -0.061 0.000 1.160 752 D CA 1.592 55.566 54.000 -0.044 0.000 0.645 752 D CB -1.512 39.273 40.800 -0.025 0.000 1.039 752 D HN 1.002 nan 8.370 nan 0.000 0.423 753 G N 0.621 109.372 108.800 -0.081 0.000 2.490 753 G HA2 -0.321 3.640 3.960 0.001 0.000 0.214 753 G HA3 -0.321 3.640 3.960 0.001 0.000 0.214 753 G C 0.120 174.945 174.900 -0.126 0.000 1.151 753 G CA 0.172 45.217 45.100 -0.091 0.000 0.684 753 G HN 0.499 nan 8.290 nan 0.000 0.518 754 D N 2.201 122.524 120.400 -0.127 0.000 2.419 754 D HA 0.194 4.835 4.640 0.001 0.000 0.281 754 D C 1.471 177.632 176.300 -0.231 0.000 1.398 754 D CA 0.448 54.350 54.000 -0.163 0.000 1.047 754 D CB 0.192 40.922 40.800 -0.117 0.000 1.115 754 D HN 0.567 nan 8.370 nan 0.000 0.540 755 K N 2.324 122.536 120.400 -0.313 0.000 2.525 755 K HA -0.051 4.269 4.320 0.001 0.000 0.192 755 K C 0.569 177.008 176.600 -0.270 0.000 1.029 755 K CA 0.417 56.520 56.287 -0.307 0.000 1.029 755 K CB 0.334 32.630 32.500 -0.340 0.000 0.814 755 K HN 0.467 nan 8.250 nan 0.000 0.503 756 H N -1.264 117.735 119.070 -0.119 0.000 2.755 756 H HA 0.272 4.829 4.556 0.001 0.000 0.273 756 H C 1.611 176.837 175.328 -0.169 0.000 1.055 756 H CA 0.046 56.026 56.048 -0.113 0.000 1.191 756 H CB 0.426 30.149 29.762 -0.064 0.000 1.536 756 H HN 0.152 nan 8.280 nan 0.000 0.529 757 A N 0.836 123.529 122.820 -0.213 0.000 1.917 757 A HA -0.162 4.159 4.320 0.001 0.000 0.219 757 A C 0.808 178.249 177.584 -0.240 0.000 1.182 757 A CA 1.341 53.192 52.037 -0.310 0.000 0.633 757 A CB -0.681 17.905 19.000 -0.690 0.000 0.819 757 A HN 0.178 nan 8.150 nan 0.000 0.448 758 F N -0.150 119.857 119.950 0.096 0.000 2.837 758 F HA 0.273 4.800 4.527 0.001 0.000 0.298 758 F C 0.832 176.608 175.800 -0.039 0.000 1.161 758 F CA -1.186 56.844 58.000 0.051 0.000 1.353 758 F CB -0.293 38.716 39.000 0.014 0.000 0.951 758 F HN 0.046 nan 8.300 nan 0.000 0.508 759 D N 0.478 120.869 120.400 -0.015 0.000 2.117 759 D HA -0.161 4.480 4.640 0.001 0.000 0.197 759 D C 2.086 178.198 176.300 -0.313 0.000 0.987 759 D CA 1.377 55.198 54.000 -0.298 0.000 0.829 759 D CB 0.038 40.640 40.800 -0.331 0.000 0.961 759 D HN 0.368 nan 8.370 nan 0.000 0.460 760 Q N -0.149 119.607 119.800 -0.072 0.000 2.014 760 Q HA -0.224 4.117 4.340 0.001 0.000 0.207 760 Q C 2.284 178.313 176.000 0.048 0.000 0.993 760 Q CA 1.331 57.148 55.803 0.023 0.000 0.850 760 Q CB -0.304 28.473 28.738 0.065 0.000 0.916 760 Q HN 0.364 nan 8.270 nan 0.000 0.417 761 M N 0.375 120.009 119.600 0.056 0.000 2.065 761 M HA -0.225 4.256 4.480 0.001 0.000 0.259 761 M C 1.928 178.290 176.300 0.104 0.000 1.071 761 M CA 1.484 56.821 55.300 0.063 0.000 1.109 761 M CB -0.085 32.546 32.600 0.052 0.000 1.313 761 M HN 0.179 nan 8.290 nan 0.000 0.408 762 L N 0.336 121.603 121.223 0.073 0.000 2.042 762 L HA -0.260 4.080 4.340 0.001 0.000 0.210 762 L C 2.603 179.559 176.870 0.143 0.000 1.076 762 L CA 1.886 56.777 54.840 0.086 0.000 0.749 762 L CB -1.649 40.446 42.059 0.059 0.000 0.893 762 L HN 0.422 nan 8.230 nan 0.000 0.432 763 H N -1.248 117.884 119.070 0.102 0.000 2.389 763 H HA -0.019 4.538 4.556 0.001 0.000 0.299 763 H C 2.425 177.806 175.328 0.088 0.000 1.081 763 H CA 1.299 57.394 56.048 0.079 0.000 1.345 763 H CB -0.574 29.224 29.762 0.060 0.000 1.393 763 H HN 0.446 nan 8.280 nan 0.000 0.520 764 S N 1.130 116.967 115.700 0.229 0.000 2.399 764 S HA -0.110 4.361 4.470 0.001 0.000 0.231 764 S C 1.833 176.554 174.600 0.200 0.000 1.022 764 S CA 1.134 59.457 58.200 0.204 0.000 0.983 764 S CB -0.882 62.448 63.200 0.217 0.000 0.803 764 S HN 0.532 nan 8.310 nan 0.000 0.480 765 I N -0.845 119.845 120.570 0.200 0.000 3.826 765 I HA 0.270 4.440 4.170 0.001 0.000 0.319 765 I C 1.103 177.280 176.117 0.100 0.000 1.394 765 I CA -0.428 60.970 61.300 0.163 0.000 1.197 765 I CB -0.769 37.326 38.000 0.159 0.000 1.096 765 I HN 0.093 nan 8.210 nan 0.000 0.409 766 Q N 1.210 120.999 119.800 -0.017 0.000 1.798 766 Q HA -0.324 4.017 4.340 0.001 0.000 0.171 766 Q C 1.730 177.737 176.000 0.011 0.000 2.945 766 Q CA 2.480 58.260 55.803 -0.038 0.000 0.187 766 Q CB -1.931 26.744 28.738 -0.106 0.000 0.218 766 Q HN 0.769 nan 8.270 nan 0.000 0.357 767 G N -0.976 107.859 108.800 0.058 0.000 2.838 767 G HA2 0.320 4.281 3.960 0.001 0.000 0.210 767 G HA3 0.320 4.281 3.960 0.001 0.000 0.210 767 G C 0.939 175.871 174.900 0.052 0.000 1.153 767 G CA 0.945 46.089 45.100 0.073 0.000 0.778 767 G HN 0.998 nan 8.290 nan 0.000 0.539 768 G N 0.478 109.297 108.800 0.031 0.000 2.153 768 G HA2 -0.286 3.674 3.960 0.001 0.000 0.252 768 G HA3 -0.286 3.674 3.960 0.001 0.000 0.252 768 G C 0.255 175.173 174.900 0.030 0.000 0.994 768 G CA 0.886 45.988 45.100 0.003 0.000 0.698 768 G HN 1.053 nan 8.290 nan 0.000 0.521 769 D N -0.847 119.598 120.400 0.076 0.000 2.890 769 D HA -0.150 4.491 4.640 0.001 0.000 0.226 769 D C -0.070 176.330 176.300 0.168 0.000 1.207 769 D CA 1.044 55.133 54.000 0.149 0.000 0.764 769 D CB -0.057 40.831 40.800 0.147 0.000 0.948 769 D HN 0.378 nan 8.370 nan 0.000 0.404 770 P HA -0.144 nan 4.420 nan 0.000 0.225 770 P C 0.708 177.691 177.300 -0.529 0.000 1.148 770 P CA 1.101 64.024 63.100 -0.295 0.000 0.779 770 P CB -0.053 31.297 31.700 -0.582 0.000 0.780 771 Y N -1.066 119.297 120.300 0.105 0.000 2.507 771 Y HA 0.265 4.816 4.550 0.001 0.000 0.254 771 Y C 1.362 177.249 175.900 -0.022 0.000 1.171 771 Y CA -0.560 57.577 58.100 0.061 0.000 1.238 771 Y CB -0.034 38.523 38.460 0.161 0.000 1.148 771 Y HN -0.310 nan 8.280 nan 0.000 0.525 772 L N -0.666 120.571 121.223 0.023 0.000 3.865 772 L HA -0.323 4.018 4.340 0.001 0.000 0.408 772 L C 1.219 178.084 176.870 -0.009 0.000 1.209 772 L CA 0.149 54.919 54.840 -0.117 0.000 0.940 772 L CB -2.335 39.525 42.059 -0.332 0.000 1.971 772 L HN 0.157 nan 8.230 nan 0.000 0.899 773 V N -0.750 119.190 119.914 0.044 0.000 2.287 773 V HA -0.358 3.763 4.120 0.001 0.000 0.248 773 V C 2.529 178.678 176.094 0.092 0.000 1.053 773 V CA 2.520 64.826 62.300 0.010 0.000 1.027 773 V CB -0.254 31.494 31.823 -0.124 0.000 0.646 773 V HN 0.458 nan 8.190 nan 0.000 0.447 774 M N -0.097 119.546 119.600 0.071 0.000 2.080 774 M HA -0.165 4.315 4.480 0.001 0.000 0.260 774 M C 2.351 178.678 176.300 0.044 0.000 1.068 774 M CA 2.419 57.766 55.300 0.079 0.000 1.109 774 M CB -1.592 31.044 32.600 0.059 0.000 1.342 774 M HN 0.424 nan 8.290 nan 0.000 0.405 775 A N -0.613 122.053 122.820 -0.256 0.000 2.014 775 A HA -0.125 4.196 4.320 0.001 0.000 0.218 775 A C 1.840 179.427 177.584 0.006 0.000 1.163 775 A CA 1.616 53.244 52.037 -0.683 0.000 0.652 775 A CB -0.458 17.808 19.000 -1.222 0.000 0.808 775 A HN 0.392 nan 8.150 nan 0.000 0.449 776 D N -1.833 118.642 120.400 0.124 0.000 2.346 776 D HA 0.057 4.698 4.640 0.001 0.000 0.206 776 D C 1.330 177.823 176.300 0.321 0.000 1.001 776 D CA 0.029 54.173 54.000 0.241 0.000 0.871 776 D CB -0.258 40.679 40.800 0.227 0.000 0.943 776 D HN 0.370 nan 8.370 nan 0.000 0.518 777 F N 2.369 122.426 119.950 0.177 0.000 2.039 777 F HA -0.389 4.138 4.527 0.001 0.000 0.296 777 F C 2.180 178.084 175.800 0.174 0.000 1.119 777 F CA 2.407 60.521 58.000 0.190 0.000 1.211 777 F CB -0.389 38.703 39.000 0.153 0.000 0.956 777 F HN -0.004 nan 8.300 nan 0.000 0.496 778 A N 0.211 123.269 122.820 0.398 0.000 1.859 778 A HA -0.159 4.162 4.320 0.001 0.000 0.217 778 A C 2.426 180.043 177.584 0.055 0.000 1.198 778 A CA 2.570 54.735 52.037 0.213 0.000 0.629 778 A CB -1.763 17.413 19.000 0.294 0.000 0.830 778 A HN 0.665 nan 8.150 nan 0.000 0.446 779 A N -1.391 121.507 122.820 0.131 0.000 1.873 779 A HA -0.214 4.106 4.320 0.001 0.000 0.218 779 A C 2.167 179.746 177.584 -0.007 0.000 1.193 779 A CA 2.079 54.186 52.037 0.116 0.000 0.629 779 A CB -1.059 18.072 19.000 0.218 0.000 0.826 779 A HN 0.800 nan 8.150 nan 0.000 0.447 780 Y N 0.995 121.113 120.300 -0.303 0.000 2.081 780 Y HA -0.247 4.304 4.550 0.001 0.000 0.280 780 Y C 2.474 178.015 175.900 -0.598 0.000 1.163 780 Y CA 1.685 59.241 58.100 -0.906 0.000 1.135 780 Y CB -0.948 37.090 38.460 -0.703 0.000 0.970 780 Y HN 0.066 nan 8.280 nan 0.000 0.498 781 V N 0.666 120.229 119.914 -0.585 0.000 2.317 781 V HA -0.332 3.789 4.120 0.001 0.000 0.251 781 V C 2.490 178.364 176.094 -0.368 0.000 1.065 781 V CA 2.313 64.269 62.300 -0.573 0.000 1.049 781 V CB -0.619 30.903 31.823 -0.502 0.000 0.651 781 V HN 0.352 nan 8.190 nan 0.000 0.450 782 E N 0.137 120.198 120.200 -0.231 0.000 2.015 782 E HA -0.124 4.226 4.350 0.001 0.000 0.191 782 E C 2.445 178.969 176.600 -0.127 0.000 0.991 782 E CA 1.510 57.836 56.400 -0.123 0.000 0.802 782 E CB -0.895 28.786 29.700 -0.032 0.000 0.759 782 E HN 0.523 nan 8.360 nan 0.000 0.447 783 A N 1.916 124.661 122.820 -0.125 0.000 1.915 783 A HA -0.283 4.037 4.320 0.001 0.000 0.220 783 A C 2.117 179.531 177.584 -0.284 0.000 1.198 783 A CA 1.996 53.992 52.037 -0.070 0.000 0.647 783 A CB -0.644 18.337 19.000 -0.032 0.000 0.825 783 A HN 0.183 nan 8.150 nan 0.000 0.456 784 Q N -0.577 118.974 119.800 -0.415 0.000 2.181 784 Q HA -0.156 4.184 4.340 0.001 0.000 0.205 784 Q C 1.996 177.814 176.000 -0.303 0.000 0.980 784 Q CA 1.620 57.160 55.803 -0.438 0.000 0.862 784 Q CB -0.294 28.111 28.738 -0.556 0.000 0.905 784 Q HN 0.736 nan 8.270 nan 0.000 0.429 785 K N 0.384 120.651 120.400 -0.222 0.000 2.211 785 K HA -0.124 4.197 4.320 0.001 0.000 0.203 785 K C 1.916 178.477 176.600 -0.066 0.000 1.050 785 K CA 0.884 57.096 56.287 -0.125 0.000 0.945 785 K CB 0.169 32.614 32.500 -0.092 0.000 0.732 785 K HN 0.274 nan 8.250 nan 0.000 0.451 786 Q N -0.270 119.504 119.800 -0.043 0.000 2.389 786 Q HA -0.015 4.326 4.340 0.001 0.000 0.204 786 Q C 1.866 177.918 176.000 0.087 0.000 0.944 786 Q CA 0.305 56.167 55.803 0.098 0.000 0.908 786 Q CB 0.372 29.271 28.738 0.270 0.000 1.002 786 Q HN 0.026 nan 8.270 nan 0.000 0.493 787 V N 1.256 121.017 119.914 -0.255 0.000 2.307 787 V HA -0.266 3.855 4.120 0.001 0.000 0.245 787 V C 1.222 177.342 176.094 0.045 0.000 1.045 787 V CA 2.153 64.309 62.300 -0.239 0.000 1.024 787 V CB -0.345 31.195 31.823 -0.471 0.000 0.651 787 V HN 0.324 nan 8.190 nan 0.000 0.449 788 D N -0.224 120.144 120.400 -0.054 0.000 2.106 788 D HA -0.189 4.452 4.640 0.001 0.000 0.191 788 D C 2.094 178.435 176.300 0.068 0.000 0.997 788 D CA 1.789 55.772 54.000 -0.028 0.000 0.834 788 D CB -0.335 40.435 40.800 -0.051 0.000 0.956 788 D HN 0.259 nan 8.370 nan 0.000 0.448 789 V N 0.415 120.383 119.914 0.089 0.000 2.255 789 V HA -0.228 3.892 4.120 0.001 0.000 0.247 789 V C 2.342 178.547 176.094 0.185 0.000 1.051 789 V CA 1.385 63.755 62.300 0.117 0.000 1.018 789 V CB -0.559 31.331 31.823 0.111 0.000 0.641 789 V HN 0.204 nan 8.190 nan 0.000 0.445 790 L N -0.794 120.615 121.223 0.310 0.000 2.083 790 L HA -0.203 4.138 4.340 0.001 0.000 0.209 790 L C 2.279 179.445 176.870 0.494 0.000 1.083 790 L CA 2.009 57.113 54.840 0.439 0.000 0.752 790 L CB -0.870 41.557 42.059 0.614 0.000 0.899 790 L HN 0.424 nan 8.230 nan 0.000 0.433 791 Y N 0.281 120.692 120.300 0.185 0.000 2.333 791 Y HA -0.198 4.353 4.550 0.001 0.000 0.290 791 Y C 2.522 178.320 175.900 -0.169 0.000 1.144 791 Y CA 1.545 59.447 58.100 -0.330 0.000 1.228 791 Y CB -0.104 37.943 38.460 -0.688 0.000 0.985 791 Y HN 0.179 nan 8.280 nan 0.000 0.542 792 R N -0.525 119.978 120.500 0.004 0.000 2.236 792 R HA -0.068 4.272 4.340 0.001 0.000 0.208 792 R C 0.125 176.402 176.300 -0.039 0.000 1.036 792 R CA 0.827 56.907 56.100 -0.034 0.000 1.001 792 R CB -0.051 30.260 30.300 0.019 0.000 0.896 792 R HN 0.160 nan 8.270 nan 0.000 0.464 793 D N 1.020 121.428 120.400 0.013 0.000 2.518 793 D HA 0.054 4.695 4.640 0.001 0.000 0.230 793 D C 0.633 176.953 176.300 0.032 0.000 1.138 793 D CA -0.040 53.977 54.000 0.029 0.000 0.964 793 D CB 0.715 41.558 40.800 0.072 0.000 1.011 793 D HN 0.089 nan 8.370 nan 0.000 0.517 794 Q N 1.268 121.035 119.800 -0.055 0.000 2.062 794 Q HA -0.253 4.088 4.340 0.001 0.000 0.209 794 Q C 1.585 177.614 176.000 0.049 0.000 0.996 794 Q CA 1.612 57.378 55.803 -0.062 0.000 0.859 794 Q CB 0.119 28.791 28.738 -0.109 0.000 0.920 794 Q HN 0.606 nan 8.270 nan 0.000 0.415 795 E N 0.256 120.474 120.200 0.030 0.000 2.065 795 E HA -0.275 4.076 4.350 0.001 0.000 0.201 795 E C 1.948 178.583 176.600 0.058 0.000 1.016 795 E CA 1.333 57.755 56.400 0.037 0.000 0.818 795 E CB -0.154 29.557 29.700 0.019 0.000 0.749 795 E HN 0.361 nan 8.360 nan 0.000 0.453 796 A N 1.808 124.671 122.820 0.071 0.000 1.865 796 A HA -0.218 4.102 4.320 0.001 0.000 0.217 796 A C 2.095 179.743 177.584 0.106 0.000 1.191 796 A CA 1.461 53.540 52.037 0.071 0.000 0.623 796 A CB -1.456 17.595 19.000 0.084 0.000 0.826 796 A HN 0.750 nan 8.150 nan 0.000 0.444 797 W N 1.096 122.391 121.300 -0.009 0.000 2.298 797 W HA -0.242 4.418 4.660 0.001 0.000 0.328 797 W C 2.179 178.712 176.519 0.025 0.000 1.259 797 W CA 2.893 60.252 57.345 0.022 0.000 1.251 797 W CB -1.012 28.429 29.460 -0.032 0.000 1.161 797 W HN 0.394 nan 8.180 nan 0.000 0.466 798 T N 1.010 115.711 114.554 0.245 0.000 2.653 798 T HA -0.292 4.059 4.350 0.001 0.000 0.268 798 T C 1.884 176.549 174.700 -0.059 0.000 1.035 798 T CA 2.172 64.353 62.100 0.134 0.000 1.154 798 T CB -0.539 68.409 68.868 0.134 0.000 0.862 798 T HN 0.201 nan 8.240 nan 0.000 0.441 799 R N 0.631 121.100 120.500 -0.052 0.000 2.094 799 R HA -0.107 4.233 4.340 0.001 0.000 0.239 799 R C 2.862 179.074 176.300 -0.148 0.000 1.137 799 R CA 1.567 57.608 56.100 -0.099 0.000 0.943 799 R CB -0.629 29.635 30.300 -0.059 0.000 0.850 799 R HN 0.433 nan 8.270 nan 0.000 0.433 800 A N 0.977 123.695 122.820 -0.170 0.000 1.877 800 A HA -0.149 4.172 4.320 0.001 0.000 0.216 800 A C 2.375 179.829 177.584 -0.216 0.000 1.186 800 A CA 1.802 53.710 52.037 -0.216 0.000 0.620 800 A CB -0.739 18.085 19.000 -0.293 0.000 0.822 800 A HN 0.451 nan 8.150 nan 0.000 0.443 801 A N 0.173 122.853 122.820 -0.233 0.000 1.873 801 A HA -0.172 4.149 4.320 0.001 0.000 0.218 801 A C 2.110 179.643 177.584 -0.085 0.000 1.193 801 A CA 1.732 53.712 52.037 -0.095 0.000 0.629 801 A CB -0.778 18.313 19.000 0.152 0.000 0.826 801 A HN 0.527 nan 8.150 nan 0.000 0.447 802 I N -0.303 120.082 120.570 -0.308 0.000 2.264 802 I HA -0.271 3.899 4.170 0.001 0.000 0.248 802 I C 2.148 178.160 176.117 -0.176 0.000 1.111 802 I CA 1.114 62.164 61.300 -0.416 0.000 1.382 802 I CB -0.337 37.376 38.000 -0.478 0.000 1.060 802 I HN 0.291 nan 8.210 nan 0.000 0.418 803 L N 0.163 121.299 121.223 -0.146 0.000 2.376 803 L HA -0.119 4.221 4.340 0.001 0.000 0.219 803 L C 2.173 179.004 176.870 -0.065 0.000 1.133 803 L CA 0.832 55.609 54.840 -0.106 0.000 0.816 803 L CB -0.665 41.329 42.059 -0.110 0.000 0.933 803 L HN 0.363 nan 8.230 nan 0.000 0.449 804 N N -0.494 118.179 118.700 -0.046 0.000 2.135 804 N HA -0.123 4.617 4.740 0.001 0.000 0.186 804 N C 1.667 177.195 175.510 0.030 0.000 1.027 804 N CA 1.864 54.915 53.050 0.001 0.000 0.849 804 N CB -0.052 38.442 38.487 0.011 0.000 1.002 804 N HN 0.291 nan 8.380 nan 0.000 0.425 805 T N 1.742 116.321 114.554 0.042 0.000 2.569 805 T HA -0.134 4.217 4.350 0.001 0.000 0.263 805 T C 2.150 176.853 174.700 0.006 0.000 1.074 805 T CA 1.538 63.670 62.100 0.053 0.000 1.176 805 T CB -0.631 68.305 68.868 0.114 0.000 0.863 805 T HN 0.302 nan 8.240 nan 0.000 0.410 806 A N 1.731 124.534 122.820 -0.028 0.000 1.927 806 A HA -0.189 4.132 4.320 0.001 0.000 0.220 806 A C 2.131 179.687 177.584 -0.047 0.000 1.185 806 A CA 1.713 53.717 52.037 -0.055 0.000 0.639 806 A CB -0.525 18.422 19.000 -0.090 0.000 0.820 806 A HN 0.515 nan 8.150 nan 0.000 0.451 807 R N -2.053 118.423 120.500 -0.039 0.000 2.515 807 R HA 0.268 4.609 4.340 0.001 0.000 0.294 807 R C 0.179 176.453 176.300 -0.043 0.000 1.021 807 R CA 0.071 56.143 56.100 -0.047 0.000 1.081 807 R CB -0.099 30.172 30.300 -0.050 0.000 1.263 807 R HN 0.472 nan 8.270 nan 0.000 0.557 808 C N -1.029 118.267 119.300 -0.006 0.000 3.336 808 C HA 0.205 4.665 4.460 0.001 0.000 0.291 808 C C 2.143 177.111 174.990 -0.037 0.000 1.363 808 C CA -0.492 58.541 59.018 0.024 0.000 1.737 808 C CB 0.168 28.059 27.740 0.253 0.000 2.274 808 C HN 0.712 nan 8.230 nan 0.000 0.663 809 G N 2.017 110.795 108.800 -0.037 0.000 2.621 809 G HA2 -0.262 3.699 3.960 0.001 0.000 0.215 809 G HA3 -0.262 3.699 3.960 0.001 0.000 0.215 809 G C 1.339 176.194 174.900 -0.074 0.000 1.127 809 G CA 1.333 46.427 45.100 -0.011 0.000 0.747 809 G HN 0.738 nan 8.290 nan 0.000 0.561 810 M N -2.715 116.729 119.600 -0.260 0.000 2.556 810 M HA 0.446 4.927 4.480 0.001 0.000 0.245 810 M C 0.840 176.969 176.300 -0.286 0.000 1.128 810 M CA 0.723 55.833 55.300 -0.317 0.000 1.069 810 M CB 0.061 32.400 32.600 -0.435 0.000 1.469 810 M HN -0.056 nan 8.290 nan 0.000 0.494 811 F N 0.854 120.830 119.950 0.042 0.000 2.731 811 F HA 0.348 4.876 4.527 0.001 0.000 0.304 811 F C 1.109 176.962 175.800 0.089 0.000 1.133 811 F CA -0.931 57.103 58.000 0.057 0.000 1.380 811 F CB -0.686 38.337 39.000 0.038 0.000 1.079 811 F HN 0.153 nan 8.300 nan 0.000 0.550 812 S N 0.250 116.080 115.700 0.216 0.000 2.481 812 S HA 0.089 4.559 4.470 0.001 0.000 0.276 812 S C 1.493 176.210 174.600 0.195 0.000 1.247 812 S CA -0.005 58.309 58.200 0.191 0.000 1.053 812 S CB 0.531 63.808 63.200 0.128 0.000 0.925 812 S HN 0.371 nan 8.310 nan 0.000 0.491 813 S N 3.916 119.765 115.700 0.250 0.000 2.440 813 S HA -0.154 4.316 4.470 0.001 0.000 0.240 813 S C 1.126 175.813 174.600 0.144 0.000 1.014 813 S CA 1.207 59.590 58.200 0.305 0.000 0.980 813 S CB -0.438 63.035 63.200 0.454 0.000 0.775 813 S HN 0.818 nan 8.310 nan 0.000 0.499 814 D N 1.734 122.198 120.400 0.107 0.000 2.104 814 D HA -0.125 4.516 4.640 0.001 0.000 0.194 814 D C 2.116 178.430 176.300 0.023 0.000 0.994 814 D CA 0.988 55.021 54.000 0.054 0.000 0.830 814 D CB -0.371 40.456 40.800 0.045 0.000 0.959 814 D HN 0.328 nan 8.370 nan 0.000 0.452 815 R N 1.080 121.599 120.500 0.031 0.000 2.070 815 R HA -0.102 4.238 4.340 0.001 0.000 0.233 815 R C 2.210 178.483 176.300 -0.044 0.000 1.137 815 R CA 1.240 57.337 56.100 -0.005 0.000 0.945 815 R CB -0.434 29.865 30.300 -0.001 0.000 0.845 815 R HN 0.039 nan 8.270 nan 0.000 0.430 816 S N 1.218 116.905 115.700 -0.023 0.000 2.368 816 S HA -0.184 4.286 4.470 0.001 0.000 0.226 816 S C 1.991 176.480 174.600 -0.184 0.000 1.044 816 S CA 1.530 59.664 58.200 -0.109 0.000 1.062 816 S CB -0.295 62.888 63.200 -0.028 0.000 0.931 816 S HN 0.248 nan 8.310 nan 0.000 0.440 817 I N 1.800 122.276 120.570 -0.156 0.000 2.208 817 I HA -0.128 4.042 4.170 0.001 0.000 0.245 817 I C 2.407 178.497 176.117 -0.045 0.000 1.097 817 I CA 1.329 62.581 61.300 -0.079 0.000 1.363 817 I CB -1.252 36.756 38.000 0.014 0.000 1.051 817 I HN 0.234 nan 8.210 nan 0.000 0.413 818 R N 0.843 121.315 120.500 -0.045 0.000 2.083 818 R HA -0.170 4.171 4.340 0.001 0.000 0.237 818 R C 1.771 178.004 176.300 -0.111 0.000 1.137 818 R CA 1.457 57.531 56.100 -0.043 0.000 0.951 818 R CB -1.096 29.184 30.300 -0.032 0.000 0.851 818 R HN 0.413 nan 8.270 nan 0.000 0.434 819 D N -0.011 120.279 120.400 -0.182 0.000 2.178 819 D HA -0.154 4.486 4.640 0.001 0.000 0.201 819 D C 1.976 178.013 176.300 -0.439 0.000 0.980 819 D CA 1.117 54.951 54.000 -0.278 0.000 0.842 819 D CB -0.315 40.293 40.800 -0.319 0.000 0.948 819 D HN 0.263 nan 8.370 nan 0.000 0.472 820 Y N 1.400 121.362 120.300 -0.563 0.000 2.200 820 Y HA -0.111 4.440 4.550 0.001 0.000 0.290 820 Y C 2.630 178.056 175.900 -0.790 0.000 1.137 820 Y CA 0.964 58.455 58.100 -1.015 0.000 1.163 820 Y CB -0.318 36.929 38.460 -2.023 0.000 0.988 820 Y HN -0.002 nan 8.280 nan 0.000 0.518 821 Q N -0.605 119.066 119.800 -0.213 0.000 2.061 821 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 821 Q C 2.481 178.499 176.000 0.030 0.000 0.984 821 Q CA 1.654 57.523 55.803 0.110 0.000 0.846 821 Q CB -0.329 28.503 28.738 0.156 0.000 0.902 821 Q HN 0.532 nan 8.270 nan 0.000 0.421 822 A N 0.871 123.655 122.820 -0.060 0.000 1.861 822 A HA -0.077 4.243 4.320 0.001 0.000 0.212 822 A C 1.984 179.516 177.584 -0.086 0.000 1.199 822 A CA 0.735 52.742 52.037 -0.050 0.000 0.613 822 A CB -0.241 18.727 19.000 -0.053 0.000 0.846 822 A HN 0.161 nan 8.150 nan 0.000 0.446 823 R N -1.040 119.352 120.500 -0.181 0.000 2.092 823 R HA 0.025 4.365 4.340 0.001 0.000 0.231 823 R C 1.289 177.370 176.300 -0.365 0.000 1.119 823 R CA 1.695 57.628 56.100 -0.278 0.000 0.970 823 R CB -0.240 29.838 30.300 -0.370 0.000 0.864 823 R HN 0.542 nan 8.270 nan 0.000 0.440 824 I N -2.642 117.768 120.570 -0.267 0.000 3.809 824 I HA -0.013 4.158 4.170 0.001 0.000 0.245 824 I C 1.524 177.793 176.117 0.253 0.000 1.119 824 I CA -0.173 61.084 61.300 -0.071 0.000 1.597 824 I CB -0.403 37.468 38.000 -0.215 0.000 1.605 824 I HN -0.000 nan 8.210 nan 0.000 0.441 825 W N 1.780 123.164 121.300 0.141 0.000 2.321 825 W HA -0.135 4.526 4.660 0.001 0.000 0.306 825 W C 1.951 178.505 176.519 0.060 0.000 1.217 825 W CA 0.956 58.377 57.345 0.126 0.000 1.257 825 W CB -0.888 28.628 29.460 0.093 0.000 1.145 825 W HN 0.286 nan 8.180 nan 0.000 0.509 826 Q N -1.295 118.658 119.800 0.256 0.000 2.217 826 Q HA 0.324 4.665 4.340 0.001 0.000 0.217 826 Q C 0.884 176.921 176.000 0.062 0.000 0.844 826 Q CA 0.235 56.114 55.803 0.127 0.000 0.957 826 Q CB -0.313 28.489 28.738 0.107 0.000 1.127 826 Q HN 0.022 nan 8.270 nan 0.000 0.503 827 A N 1.360 124.218 122.820 0.064 0.000 2.433 827 A HA 0.445 4.765 4.320 0.001 0.000 0.250 827 A C 0.210 177.792 177.584 -0.003 0.000 1.113 827 A CA 0.333 52.388 52.037 0.031 0.000 0.794 827 A CB 0.105 19.133 19.000 0.048 0.000 1.067 827 A HN 0.269 nan 8.150 nan 0.000 0.510 828 A N 0.611 123.428 122.820 -0.005 0.000 2.350 828 A HA 0.511 4.832 4.320 0.001 0.000 0.293 828 A C 0.650 178.204 177.584 -0.050 0.000 1.231 828 A CA -0.189 51.832 52.037 -0.027 0.000 0.883 828 A CB -0.158 18.839 19.000 -0.005 0.000 1.133 828 A HN 0.818 nan 8.150 nan 0.000 0.533 1767 K N 0.000 120.412 120.400 0.020 0.000 2.780 1767 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1767 K CA 0.000 56.279 56.287 -0.012 0.000 0.838 1767 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1767 K HN 0.000 nan 8.250 nan 0.000 0.543