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 3h53_1_A DATA FIRST_RESID 18 DATA SEQUENCE LDNGLLQTPP MGWLAWERFR cNINcDEDPK NcISEQLFME MADRMAQDGW DATA SEQUENCE RDMGYTYLNI DDcWIGGRDA SGRLMPDPKR FPHGIPFLAD YVHSLGLKLG DATA SEQUENCE IYADMGNFTc MGYPGTTLDK VVQDAQTFAE WKVDMLKLDG cFSTPEERAQ DATA SEQUENCE GYPKMAAALN ATGRPIAFSc SWPAYEGGLP PRVQYSLLAD IcNLWRNYDD DATA SEQUENCE IQDSWWSVLS ILNWFVEHQD ILQPVAGPGH WNDPDMLLIG NFGLSLEQSR DATA SEQUENCE AQMALWTVLA APLLMSTDLR TISAQNMDIL QNPLMIKINQ DPLGIQGRRI DATA SEQUENCE HKEKSLIEVY MRPLSNKASA LVFFSCRTDM PYRYHSSLGQ LNFTGSVIYE DATA SEQUENCE AQDVYSGDII SGLRDETNFT VIINPSGVVM WYLYPIK 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 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.971 176.870 0.169 0.000 1.165 18 L CA 0.000 54.968 54.840 0.213 0.000 0.813 18 L CB 0.000 42.218 42.059 0.265 0.000 0.961 19 D N 2.221 122.700 120.400 0.132 0.000 2.994 19 D HA 0.228 4.867 4.640 -0.001 0.000 0.240 19 D C 0.548 176.905 176.300 0.095 0.000 1.195 19 D CA 0.290 54.352 54.000 0.105 0.000 0.957 19 D CB 0.129 40.978 40.800 0.080 0.000 1.105 19 D HN 0.577 nan 8.370 nan 0.000 0.477 20 N N -0.015 118.750 118.700 0.109 0.000 2.187 20 N HA 0.137 4.876 4.740 -0.001 0.000 0.212 20 N C 1.396 176.963 175.510 0.094 0.000 1.152 20 N CA 0.217 53.327 53.050 0.099 0.000 0.872 20 N CB 0.365 38.920 38.487 0.114 0.000 1.025 20 N HN 0.148 nan 8.380 nan 0.000 0.514 21 G N 0.097 108.953 108.800 0.093 0.000 2.184 21 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.264 21 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.264 21 G C -0.320 174.643 174.900 0.105 0.000 0.975 21 G CA 0.572 45.724 45.100 0.087 0.000 0.642 21 G HN 0.347 nan 8.290 nan 0.000 0.536 22 L N -0.347 120.953 121.223 0.129 0.000 2.360 22 L HA 0.661 5.000 4.340 -0.001 0.000 0.271 22 L C 1.091 178.076 176.870 0.192 0.000 1.057 22 L CA -1.265 53.673 54.840 0.162 0.000 0.803 22 L CB 1.254 43.422 42.059 0.182 0.000 1.207 22 L HN 0.040 nan 8.230 nan 0.000 0.445 23 L N 2.101 123.462 121.223 0.231 0.000 3.597 23 L HA -0.220 4.119 4.340 -0.001 0.000 0.440 23 L C 1.372 178.482 176.870 0.401 0.000 1.277 23 L CA 0.544 55.573 54.840 0.316 0.000 0.852 23 L CB -1.513 40.760 42.059 0.357 0.000 1.708 23 L HN 0.730 nan 8.230 nan 0.000 0.885 24 Q N -1.014 118.944 119.800 0.264 0.000 2.291 24 Q HA 0.019 4.359 4.340 -0.001 0.000 0.206 24 Q C 1.211 177.451 176.000 0.400 0.000 0.976 24 Q CA 1.522 57.471 55.803 0.242 0.000 0.875 24 Q CB -0.025 28.797 28.738 0.141 0.000 0.927 24 Q HN 0.847 nan 8.270 nan 0.000 0.450 25 T N -2.638 112.107 114.554 0.319 0.000 2.930 25 T HA 0.572 4.921 4.350 -0.001 0.000 0.290 25 T C -2.840 171.725 174.700 -0.226 0.000 1.052 25 T CA -2.567 59.599 62.100 0.111 0.000 1.017 25 T CB 2.293 71.148 68.868 -0.021 0.000 1.137 25 T HN -0.278 nan 8.240 nan 0.000 0.511 26 P HA 0.224 nan 4.420 nan 0.000 0.266 26 P C -2.414 174.631 177.300 -0.424 0.000 1.195 26 P CA -1.004 61.411 63.100 -1.141 0.000 0.768 26 P CB -0.425 30.615 31.700 -1.101 0.000 0.838 27 P HA 0.135 nan 4.420 nan 0.000 0.271 27 P C -0.699 176.585 177.300 -0.028 0.000 1.216 27 P CA 0.558 63.624 63.100 -0.057 0.000 0.776 27 P CB 0.519 32.122 31.700 -0.161 0.000 0.881 28 M N 1.996 121.650 119.600 0.091 0.000 2.393 28 M HA 0.703 5.182 4.480 -0.001 0.000 0.316 28 M C 0.536 177.014 176.300 0.297 0.000 1.087 28 M CA -0.004 55.320 55.300 0.041 0.000 0.937 28 M CB 2.657 35.084 32.600 -0.289 0.000 1.668 28 M HN 0.636 nan 8.290 nan 0.000 0.438 29 G N 1.429 110.490 108.800 0.434 0.000 2.441 29 G HA2 0.315 4.275 3.960 -0.001 0.000 0.225 29 G HA3 0.315 4.275 3.960 -0.001 0.000 0.225 29 G C -2.905 172.260 174.900 0.441 0.000 1.200 29 G CA -0.702 44.694 45.100 0.494 0.000 0.947 29 G HN 0.727 nan 8.290 nan 0.000 0.484 30 W N 0.278 121.678 121.300 0.166 0.000 2.998 30 W HA 0.809 5.468 4.660 -0.002 0.000 0.335 30 W C -1.592 175.019 176.519 0.154 0.000 1.110 30 W CA -0.831 56.562 57.345 0.081 0.000 1.230 30 W CB 1.693 31.145 29.460 -0.013 0.000 1.405 30 W HN 0.477 nan 8.180 nan 0.000 0.493 31 L N 5.481 126.445 121.223 -0.432 0.000 2.386 31 L HA 0.534 4.873 4.340 -0.001 0.000 0.271 31 L C 0.924 177.279 176.870 -0.858 0.000 0.993 31 L CA -0.270 54.371 54.840 -0.331 0.000 0.819 31 L CB 2.325 44.331 42.059 -0.088 0.000 1.294 31 L HN 0.799 nan 8.230 nan 0.000 0.414 32 A N 5.042 127.573 122.820 -0.481 0.000 2.015 32 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 32 A C 1.765 179.330 177.584 -0.031 0.000 1.163 32 A CA 0.915 52.737 52.037 -0.359 0.000 0.646 32 A CB -0.457 18.702 19.000 0.266 0.000 0.806 32 A HN 0.999 nan 8.150 nan 0.000 0.448 33 W N 0.858 122.089 121.300 -0.116 0.000 2.332 33 W HA -0.179 4.480 4.660 -0.001 0.000 0.321 33 W C 2.010 178.504 176.519 -0.043 0.000 1.219 33 W CA 2.102 59.426 57.345 -0.036 0.000 1.277 33 W CB -0.174 29.270 29.460 -0.027 0.000 1.161 33 W HN 0.440 nan 8.180 nan 0.000 0.476 34 E N 0.850 120.963 120.200 -0.144 0.000 2.058 34 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 34 E C 2.145 178.542 176.600 -0.339 0.000 0.997 34 E CA 1.743 58.004 56.400 -0.233 0.000 0.801 34 E CB -0.328 29.323 29.700 -0.082 0.000 0.746 34 E HN 0.115 nan 8.360 nan 0.000 0.450 35 R N -0.933 119.360 120.500 -0.345 0.000 2.100 35 R HA 0.015 4.354 4.340 -0.001 0.000 0.220 35 R C 1.888 177.780 176.300 -0.680 0.000 1.091 35 R CA 1.176 56.966 56.100 -0.517 0.000 0.986 35 R CB -0.416 29.488 30.300 -0.660 0.000 0.888 35 R HN 0.146 nan 8.270 nan 0.000 0.444 36 F N 0.191 120.020 119.950 -0.202 0.000 2.727 36 F HA 0.376 4.902 4.527 -0.001 0.000 0.302 36 F C 0.918 176.561 175.800 -0.262 0.000 1.107 36 F CA -0.365 57.542 58.000 -0.155 0.000 1.277 36 F CB 0.302 39.268 39.000 -0.057 0.000 1.079 36 F HN -0.190 nan 8.300 nan 0.000 0.594 37 R N -0.323 119.922 120.500 -0.426 0.000 3.815 37 R HA -0.341 3.998 4.340 -0.001 0.000 0.470 37 R C 0.677 176.772 176.300 -0.342 0.000 0.241 37 R CA 1.402 56.920 56.100 -0.970 0.000 1.481 37 R CB -1.925 27.910 30.300 -0.776 0.000 0.988 37 R HN 0.297 nan 8.270 nan 0.000 0.570 38 c N 2.939 121.451 118.600 -0.147 0.000 2.395 38 c HA 0.217 4.786 4.570 -0.001 0.000 0.315 38 c C 0.324 174.490 174.090 0.127 0.000 1.399 38 c CA -0.559 55.867 56.329 0.162 0.000 1.788 38 c CB -2.081 40.620 42.510 0.319 0.000 2.564 38 c HN 0.359 nan 8.230 nan 0.000 0.552 39 N N 1.865 120.615 118.700 0.082 0.000 2.400 39 N HA 0.110 4.849 4.740 -0.001 0.000 0.267 39 N C 0.701 176.275 175.510 0.107 0.000 1.208 39 N CA 0.049 53.150 53.050 0.085 0.000 0.951 39 N CB 0.232 38.767 38.487 0.081 0.000 1.227 39 N HN 0.718 nan 8.380 nan 0.000 0.488 40 I N -0.476 120.164 120.570 0.116 0.000 4.025 40 I HA 0.361 4.530 4.170 -0.001 0.000 0.336 40 I C 0.306 176.472 176.117 0.082 0.000 1.390 40 I CA -0.477 60.896 61.300 0.123 0.000 1.099 40 I CB -0.073 38.040 38.000 0.187 0.000 1.049 40 I HN 0.120 nan 8.210 nan 0.000 0.394 41 N N 1.584 120.320 118.700 0.060 0.000 2.968 41 N HA 0.161 4.900 4.740 -0.001 0.000 0.271 41 N C 0.692 176.215 175.510 0.022 0.000 1.174 41 N CA -0.134 52.940 53.050 0.039 0.000 1.096 41 N CB 0.131 38.638 38.487 0.032 0.000 1.403 41 N HN 0.367 nan 8.380 nan 0.000 0.522 42 c N 0.390 118.999 118.600 0.013 0.000 2.448 42 c HA 0.018 4.587 4.570 -0.001 0.000 0.280 42 c C 1.900 175.984 174.090 -0.010 0.000 1.398 42 c CA -0.080 56.244 56.329 -0.009 0.000 1.774 42 c CB -0.315 42.178 42.510 -0.027 0.000 1.888 42 c HN 0.583 nan 8.230 nan 0.000 0.519 43 D N 1.085 121.484 120.400 -0.002 0.000 2.084 43 D HA -0.106 4.534 4.640 -0.001 0.000 0.196 43 D C 2.100 178.398 176.300 -0.003 0.000 0.985 43 D CA 1.317 55.315 54.000 -0.004 0.000 0.826 43 D CB -0.346 40.455 40.800 0.001 0.000 0.978 43 D HN 0.588 nan 8.370 nan 0.000 0.456 44 E N -0.456 119.745 120.200 0.002 0.000 2.250 44 E HA -0.052 4.297 4.350 -0.001 0.000 0.192 44 E C 0.102 176.703 176.600 0.003 0.000 0.986 44 E CA 0.452 56.854 56.400 0.002 0.000 0.849 44 E CB 0.444 30.146 29.700 0.004 0.000 0.797 44 E HN 0.002 nan 8.360 nan 0.000 0.482 45 D N -0.470 119.933 120.400 0.005 0.000 2.772 45 D HA 0.084 4.723 4.640 -0.001 0.000 0.326 45 D C -1.977 174.322 176.300 -0.001 0.000 1.207 45 D CA -1.897 52.109 54.000 0.009 0.000 0.777 45 D CB 0.736 41.550 40.800 0.022 0.000 1.169 45 D HN -0.106 nan 8.370 nan 0.000 0.506 46 P HA -0.115 nan 4.420 nan 0.000 0.220 46 P C 1.064 178.333 177.300 -0.051 0.000 1.148 46 P CA 0.668 63.747 63.100 -0.035 0.000 0.803 46 P CB 0.653 32.332 31.700 -0.035 0.000 0.782 47 K N -0.506 119.875 120.400 -0.031 0.000 2.296 47 K HA 0.048 4.368 4.320 -0.001 0.000 0.200 47 K C 1.496 178.066 176.600 -0.050 0.000 1.048 47 K CA 0.805 57.068 56.287 -0.040 0.000 0.966 47 K CB -0.129 32.368 32.500 -0.005 0.000 0.754 47 K HN 0.119 nan 8.250 nan 0.000 0.466 48 N N -0.686 118.014 118.700 -0.000 0.000 2.166 48 N HA 0.039 4.779 4.740 -0.001 0.000 0.213 48 N C -0.137 175.406 175.510 0.054 0.000 1.222 48 N CA 0.016 53.120 53.050 0.091 0.000 0.900 48 N CB 0.396 39.029 38.487 0.242 0.000 1.055 48 N HN 0.194 nan 8.380 nan 0.000 0.515 49 c N 0.980 119.570 118.600 -0.017 0.000 2.657 49 c HA 0.418 4.987 4.570 -0.001 0.000 0.404 49 c C 0.980 175.023 174.090 -0.079 0.000 1.291 49 c CA -1.245 55.078 56.329 -0.009 0.000 2.218 49 c CB -0.098 42.407 42.510 -0.008 0.000 2.687 49 c HN 0.099 nan 8.230 nan 0.000 0.634 50 I N 4.405 124.981 120.570 0.011 0.000 2.576 50 I HA 0.251 4.421 4.170 -0.001 0.000 0.288 50 I C 0.883 176.986 176.117 -0.023 0.000 1.126 50 I CA 1.339 62.679 61.300 0.067 0.000 1.362 50 I CB -1.086 37.084 38.000 0.284 0.000 1.419 50 I HN 1.064 nan 8.210 nan 0.000 0.533 51 S N 3.753 119.319 115.700 -0.223 0.000 2.596 51 S HA 0.321 4.790 4.470 -0.001 0.000 0.270 51 S C 0.706 175.010 174.600 -0.494 0.000 1.155 51 S CA -0.805 57.049 58.200 -0.577 0.000 0.827 51 S CB 2.096 65.089 63.200 -0.346 0.000 1.130 51 S HN 0.607 nan 8.310 nan 0.000 0.467 52 E N 0.765 120.534 120.200 -0.718 0.000 2.086 52 E HA -0.334 4.015 4.350 -0.001 0.000 0.200 52 E C 1.807 178.397 176.600 -0.017 0.000 1.012 52 E CA 1.961 58.286 56.400 -0.125 0.000 0.812 52 E CB -0.288 29.371 29.700 -0.068 0.000 0.743 52 E HN 0.736 nan 8.360 nan 0.000 0.453 53 Q N 0.106 119.830 119.800 -0.127 0.000 2.061 53 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 53 Q C 2.412 178.311 176.000 -0.169 0.000 0.984 53 Q CA 1.706 57.435 55.803 -0.123 0.000 0.846 53 Q CB -0.200 28.458 28.738 -0.133 0.000 0.902 53 Q HN 0.389 nan 8.270 nan 0.000 0.421 54 L N 0.047 121.109 121.223 -0.269 0.000 2.012 54 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 54 L C 1.926 178.506 176.870 -0.483 0.000 1.073 54 L CA 1.826 56.390 54.840 -0.460 0.000 0.748 54 L CB -0.606 41.045 42.059 -0.679 0.000 0.891 54 L HN 0.254 nan 8.230 nan 0.000 0.431 55 F N -1.017 118.850 119.950 -0.139 0.000 2.146 55 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 55 F C 2.386 178.126 175.800 -0.099 0.000 1.096 55 F CA 1.493 59.436 58.000 -0.096 0.000 1.275 55 F CB -0.679 38.363 39.000 0.070 0.000 1.008 55 F HN 0.038 nan 8.300 nan 0.000 0.480 56 M N -0.351 119.297 119.600 0.079 0.000 2.159 56 M HA -0.203 4.276 4.480 -0.001 0.000 0.263 56 M C 2.039 178.347 176.300 0.013 0.000 1.063 56 M CA 1.673 56.986 55.300 0.021 0.000 1.110 56 M CB -0.514 31.959 32.600 -0.212 0.000 1.374 56 M HN 0.149 nan 8.290 nan 0.000 0.411 57 E N -0.096 120.045 120.200 -0.097 0.000 2.072 57 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 57 E C 2.090 178.581 176.600 -0.183 0.000 0.985 57 E CA 1.053 57.379 56.400 -0.123 0.000 0.801 57 E CB 0.003 29.605 29.700 -0.162 0.000 0.750 57 E HN 0.424 nan 8.360 nan 0.000 0.452 58 M N 0.280 119.680 119.600 -0.334 0.000 2.132 58 M HA -0.068 4.411 4.480 -0.001 0.000 0.263 58 M C 2.466 178.575 176.300 -0.319 0.000 1.065 58 M CA 1.091 56.075 55.300 -0.526 0.000 1.122 58 M CB -1.079 30.852 32.600 -1.115 0.000 1.365 58 M HN 0.087 nan 8.290 nan 0.000 0.411 59 A N 0.738 123.472 122.820 -0.143 0.000 1.883 59 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 59 A C 1.901 179.481 177.584 -0.006 0.000 1.186 59 A CA 2.108 54.132 52.037 -0.022 0.000 0.624 59 A CB -0.828 18.238 19.000 0.110 0.000 0.822 59 A HN 0.413 nan 8.150 nan 0.000 0.444 60 D N -0.484 119.937 120.400 0.036 0.000 2.104 60 D HA -0.151 4.489 4.640 -0.001 0.000 0.194 60 D C 2.181 178.492 176.300 0.020 0.000 0.994 60 D CA 1.112 55.134 54.000 0.036 0.000 0.830 60 D CB -0.348 40.489 40.800 0.060 0.000 0.959 60 D HN 0.311 nan 8.370 nan 0.000 0.452 61 R N 0.112 120.608 120.500 -0.007 0.000 2.081 61 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 61 R C 2.452 178.869 176.300 0.194 0.000 1.131 61 R CA 0.674 56.808 56.100 0.056 0.000 0.960 61 R CB -0.612 29.679 30.300 -0.015 0.000 0.856 61 R HN 0.345 nan 8.270 nan 0.000 0.436 62 M N 0.075 119.734 119.600 0.097 0.000 2.159 62 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 62 M C 2.459 178.878 176.300 0.199 0.000 1.063 62 M CA 1.822 57.251 55.300 0.216 0.000 1.110 62 M CB -0.358 32.278 32.600 0.060 0.000 1.374 62 M HN 0.164 nan 8.290 nan 0.000 0.411 63 A N -0.192 122.680 122.820 0.086 0.000 1.929 63 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 63 A C 1.970 179.576 177.584 0.036 0.000 1.176 63 A CA 1.402 53.462 52.037 0.039 0.000 0.628 63 A CB -0.418 18.570 19.000 -0.021 0.000 0.816 63 A HN 0.563 nan 8.150 nan 0.000 0.444 64 Q N -1.130 118.698 119.800 0.047 0.000 2.373 64 Q HA 0.004 4.343 4.340 -0.001 0.000 0.210 64 Q C 0.157 176.158 176.000 0.002 0.000 0.913 64 Q CA 0.744 56.558 55.803 0.020 0.000 0.911 64 Q CB 0.331 29.080 28.738 0.018 0.000 1.040 64 Q HN 0.455 nan 8.270 nan 0.000 0.521 65 D N -0.841 119.575 120.400 0.027 0.000 2.388 65 D HA 0.178 4.817 4.640 -0.001 0.000 0.221 65 D C 0.729 176.819 176.300 -0.350 0.000 1.133 65 D CA 0.530 54.473 54.000 -0.095 0.000 0.831 65 D CB 0.855 41.669 40.800 0.025 0.000 0.962 65 D HN 0.339 nan 8.370 nan 0.000 0.502 66 G N 0.165 108.839 108.800 -0.210 0.000 2.195 66 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.246 66 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.246 66 G C 1.114 175.914 174.900 -0.166 0.000 0.984 66 G CA 0.159 45.120 45.100 -0.232 0.000 0.633 66 G HN 0.347 nan 8.290 nan 0.000 0.525 67 W N 0.447 121.767 121.300 0.033 0.000 2.354 67 W HA 0.053 4.712 4.660 -0.001 0.000 0.315 67 W C 2.763 179.394 176.519 0.187 0.000 1.206 67 W CA 1.670 59.071 57.345 0.093 0.000 1.290 67 W CB -0.436 29.020 29.460 -0.007 0.000 1.152 67 W HN 0.311 nan 8.180 nan 0.000 0.489 68 R N 0.770 121.467 120.500 0.329 0.000 2.083 68 R HA -0.197 4.142 4.340 -0.001 0.000 0.237 68 R C 1.581 177.961 176.300 0.132 0.000 1.137 68 R CA 2.265 58.486 56.100 0.201 0.000 0.951 68 R CB -0.681 29.686 30.300 0.112 0.000 0.851 68 R HN 0.090 nan 8.270 nan 0.000 0.434 69 D N 0.014 120.466 120.400 0.088 0.000 2.218 69 D HA -0.159 4.480 4.640 -0.001 0.000 0.204 69 D C 1.642 177.968 176.300 0.043 0.000 0.976 69 D CA 1.011 55.033 54.000 0.038 0.000 0.853 69 D CB 0.007 40.808 40.800 0.001 0.000 0.939 69 D HN 0.266 nan 8.370 nan 0.000 0.481 70 M N -1.223 118.436 119.600 0.098 0.000 2.541 70 M HA 0.182 4.661 4.480 -0.001 0.000 0.252 70 M C 1.464 177.795 176.300 0.051 0.000 1.125 70 M CA 0.503 55.862 55.300 0.097 0.000 1.091 70 M CB 0.201 32.911 32.600 0.183 0.000 1.420 70 M HN 0.184 nan 8.290 nan 0.000 0.486 71 G N -0.779 108.062 108.800 0.069 0.000 2.260 71 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.179 71 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.179 71 G C -0.333 174.541 174.900 -0.042 0.000 1.002 71 G CA -0.679 44.399 45.100 -0.036 0.000 0.677 71 G HN 0.400 nan 8.290 nan 0.000 0.486 72 Y N 2.754 123.149 120.300 0.158 0.000 2.640 72 Y HA 0.380 4.929 4.550 -0.001 0.000 0.355 72 Y C 1.969 177.954 175.900 0.142 0.000 1.088 72 Y CA 0.961 59.175 58.100 0.189 0.000 1.443 72 Y CB 0.751 39.375 38.460 0.274 0.000 1.224 72 Y HN 0.229 nan 8.280 nan 0.000 0.516 73 T N -1.583 113.082 114.554 0.186 0.000 2.969 73 T HA 0.149 4.498 4.350 -0.001 0.000 0.250 73 T C -0.080 174.596 174.700 -0.040 0.000 1.021 73 T CA -0.026 62.084 62.100 0.017 0.000 1.003 73 T CB -0.135 68.640 68.868 -0.154 0.000 1.040 73 T HN 0.210 nan 8.240 nan 0.000 0.492 74 Y N 1.350 121.752 120.300 0.170 0.000 2.313 74 Y HA 0.616 5.165 4.550 -0.001 0.000 0.332 74 Y C -0.244 175.792 175.900 0.226 0.000 1.071 74 Y CA -1.639 56.564 58.100 0.172 0.000 1.169 74 Y CB 1.166 39.718 38.460 0.153 0.000 1.192 74 Y HN 0.104 nan 8.280 nan 0.000 0.487 75 L N 5.420 126.856 121.223 0.355 0.000 2.318 75 L HA 0.522 4.861 4.340 -0.001 0.000 0.277 75 L C -1.426 175.671 176.870 0.379 0.000 1.008 75 L CA -0.367 54.710 54.840 0.395 0.000 0.846 75 L CB 0.197 42.413 42.059 0.260 0.000 1.220 75 L HN 0.545 nan 8.230 nan 0.000 0.423 76 N N 5.640 124.615 118.700 0.458 0.000 2.392 76 N HA 0.502 5.241 4.740 -0.001 0.000 0.283 76 N C -0.662 175.034 175.510 0.310 0.000 1.003 76 N CA -0.298 52.920 53.050 0.279 0.000 0.892 76 N CB 2.029 40.642 38.487 0.210 0.000 1.193 76 N HN 0.492 nan 8.380 nan 0.000 0.487 77 I N 0.845 121.438 120.570 0.039 0.000 2.519 77 I HA 0.126 4.295 4.170 -0.001 0.000 0.287 77 I C 0.887 177.103 176.117 0.164 0.000 1.047 77 I CA -0.021 61.271 61.300 -0.013 0.000 1.381 77 I CB 0.763 38.440 38.000 -0.539 0.000 1.417 77 I HN 0.486 nan 8.210 nan 0.000 0.540 78 D N 2.886 123.448 120.400 0.271 0.000 2.535 78 D HA 0.147 4.787 4.640 -0.001 0.000 0.240 78 D C -0.400 175.798 176.300 -0.169 0.000 1.200 78 D CA -0.410 53.627 54.000 0.061 0.000 1.088 78 D CB 0.648 41.528 40.800 0.133 0.000 1.197 78 D HN 0.467 nan 8.370 nan 0.000 0.620 79 D N -1.038 118.938 120.400 -0.706 0.000 2.361 79 D HA 0.071 4.711 4.640 -0.001 0.000 0.239 79 D C 0.027 176.261 176.300 -0.110 0.000 1.200 79 D CA 0.077 53.677 54.000 -0.666 0.000 0.915 79 D CB 0.517 40.904 40.800 -0.689 0.000 1.170 79 D HN 0.601 nan 8.370 nan 0.000 0.444 80 c N 0.882 119.233 118.600 -0.415 0.000 4.534 80 c HA -0.115 4.454 4.570 -0.001 0.000 0.275 80 c C 1.586 175.501 174.090 -0.291 0.000 1.291 80 c CA 0.084 55.939 56.329 -0.790 0.000 1.876 80 c CB -2.586 39.806 42.510 -0.197 0.000 1.339 80 c HN 0.789 nan 8.230 nan 0.000 0.746 81 W N 0.206 121.392 121.300 -0.190 0.000 2.812 81 W HA 0.486 5.145 4.660 -0.001 0.000 0.263 81 W C 0.515 176.993 176.519 -0.068 0.000 1.284 81 W CA -0.134 57.176 57.345 -0.059 0.000 1.430 81 W CB -0.529 28.784 29.460 -0.244 0.000 1.088 81 W HN 0.361 nan 8.180 nan 0.000 0.623 82 I N 2.080 122.195 120.570 -0.759 0.000 2.575 82 I HA 0.237 4.407 4.170 -0.001 0.000 0.285 82 I C 1.665 177.750 176.117 -0.054 0.000 1.085 82 I CA 0.644 61.528 61.300 -0.694 0.000 1.403 82 I CB 1.323 38.883 38.000 -0.734 0.000 1.409 82 I HN 0.021 nan 8.210 nan 0.000 0.557 83 G N 3.326 112.129 108.800 0.005 0.000 2.673 83 G HA2 0.559 4.518 3.960 -0.001 0.000 0.208 83 G HA3 0.559 4.518 3.960 -0.001 0.000 0.208 83 G C 0.458 175.404 174.900 0.077 0.000 1.128 83 G CA 0.586 45.751 45.100 0.108 0.000 0.805 83 G HN 0.932 nan 8.290 nan 0.000 0.526 84 G N -0.811 108.014 108.800 0.042 0.000 2.344 84 G HA2 0.422 4.381 3.960 -0.001 0.000 0.282 84 G HA3 0.422 4.381 3.960 -0.001 0.000 0.282 84 G C -1.715 173.202 174.900 0.029 0.000 1.281 84 G CA -1.059 44.060 45.100 0.032 0.000 0.877 84 G HN 0.312 nan 8.290 nan 0.000 0.494 85 R N 0.367 120.880 120.500 0.021 0.000 2.740 85 R HA 0.524 4.863 4.340 -0.001 0.000 0.282 85 R C -0.702 175.612 176.300 0.025 0.000 0.969 85 R CA -0.740 55.371 56.100 0.019 0.000 0.918 85 R CB 2.006 32.297 30.300 -0.014 0.000 1.175 85 R HN 0.799 nan 8.270 nan 0.000 0.464 86 D N 1.284 121.704 120.400 0.034 0.000 2.478 86 D HA 0.122 4.761 4.640 -0.001 0.000 0.274 86 D C 0.896 177.204 176.300 0.013 0.000 1.234 86 D CA -0.423 53.597 54.000 0.032 0.000 1.069 86 D CB 0.338 41.168 40.800 0.050 0.000 1.113 86 D HN 0.424 nan 8.370 nan 0.000 0.571 87 A N -0.535 122.292 122.820 0.013 0.000 2.076 87 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 87 A C 1.970 179.551 177.584 -0.006 0.000 1.160 87 A CA 1.505 53.544 52.037 0.003 0.000 0.653 87 A CB -0.703 18.300 19.000 0.006 0.000 0.801 87 A HN 0.429 nan 8.150 nan 0.000 0.455 88 S N -1.740 113.957 115.700 -0.006 0.000 2.577 88 S HA 0.380 4.849 4.470 -0.001 0.000 0.219 88 S C 1.322 175.902 174.600 -0.033 0.000 0.962 88 S CA 0.648 58.837 58.200 -0.018 0.000 0.921 88 S CB 0.105 63.296 63.200 -0.015 0.000 0.789 88 S HN 1.552 nan 8.310 nan 0.000 0.497 89 G N 2.319 111.101 108.800 -0.030 0.000 2.148 89 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.254 89 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.254 89 G C 0.100 174.967 174.900 -0.056 0.000 0.981 89 G CA 0.007 45.079 45.100 -0.046 0.000 0.670 89 G HN 0.511 nan 8.290 nan 0.000 0.528 90 R N -0.012 120.468 120.500 -0.034 0.000 2.340 90 R HA 0.506 4.845 4.340 -0.001 0.000 0.300 90 R C 0.386 176.696 176.300 0.017 0.000 1.069 90 R CA -0.876 55.200 56.100 -0.039 0.000 0.984 90 R CB 0.235 30.530 30.300 -0.008 0.000 1.003 90 R HN 0.124 nan 8.270 nan 0.000 0.459 91 L N 5.117 126.337 121.223 -0.005 0.000 2.490 91 L HA 0.130 4.470 4.340 -0.001 0.000 0.274 91 L C -0.249 176.836 176.870 0.358 0.000 1.201 91 L CA 1.274 56.182 54.840 0.114 0.000 0.869 91 L CB 0.651 42.766 42.059 0.094 0.000 1.123 91 L HN 0.689 nan 8.230 nan 0.000 0.484 92 M N 6.708 126.486 119.600 0.296 0.000 2.464 92 M HA 0.478 4.958 4.480 -0.001 0.000 0.308 92 M C -2.380 174.090 176.300 0.284 0.000 1.127 92 M CA -1.722 53.782 55.300 0.341 0.000 0.913 92 M CB 2.336 35.056 32.600 0.200 0.000 1.689 92 M HN 0.378 nan 8.290 nan 0.000 0.445 93 P HA 0.020 nan 4.420 nan 0.000 0.274 93 P C -0.990 176.445 177.300 0.225 0.000 1.256 93 P CA -0.209 63.066 63.100 0.290 0.000 0.795 93 P CB 0.499 32.275 31.700 0.126 0.000 1.038 94 D N 1.370 121.952 120.400 0.303 0.000 2.412 94 D HA -0.001 4.638 4.640 -0.001 0.000 0.257 94 D C -1.169 175.303 176.300 0.286 0.000 1.217 94 D CA -1.372 52.810 54.000 0.302 0.000 0.897 94 D CB 0.670 41.688 40.800 0.364 0.000 1.132 94 D HN 0.161 nan 8.370 nan 0.000 0.493 95 P HA -0.100 nan 4.420 nan 0.000 0.221 95 P C 0.938 178.277 177.300 0.066 0.000 1.150 95 P CA 0.927 64.091 63.100 0.107 0.000 0.800 95 P CB 0.504 32.244 31.700 0.067 0.000 0.787 96 K N -0.201 120.242 120.400 0.072 0.000 2.137 96 K HA 0.042 4.361 4.320 -0.001 0.000 0.202 96 K C 2.364 178.961 176.600 -0.005 0.000 1.052 96 K CA 0.849 57.149 56.287 0.022 0.000 0.961 96 K CB 0.000 32.517 32.500 0.029 0.000 0.741 96 K HN 0.045 nan 8.250 nan 0.000 0.452 97 R N -0.604 119.921 120.500 0.042 0.000 2.210 97 R HA 0.088 4.427 4.340 -0.001 0.000 0.203 97 R C 0.059 176.138 176.300 -0.368 0.000 1.010 97 R CA 0.502 56.532 56.100 -0.118 0.000 1.008 97 R CB 0.375 30.646 30.300 -0.049 0.000 0.923 97 R HN 0.026 nan 8.270 nan 0.000 0.469 98 F N 1.038 121.018 119.950 0.050 0.000 2.523 98 F HA 0.301 4.827 4.527 -0.001 0.000 0.322 98 F C -1.659 174.102 175.800 -0.065 0.000 1.361 98 F CA -2.216 55.799 58.000 0.025 0.000 1.151 98 F CB 1.513 40.558 39.000 0.076 0.000 1.391 98 F HN -0.153 nan 8.300 nan 0.000 0.566 99 P HA -0.173 nan 4.420 nan 0.000 0.218 99 P C 0.858 177.961 177.300 -0.328 0.000 1.148 99 P CA 1.788 64.752 63.100 -0.226 0.000 0.822 99 P CB 0.125 31.598 31.700 -0.377 0.000 0.784 100 H N -1.347 117.577 119.070 -0.243 0.000 2.553 100 H HA 0.346 4.902 4.556 -0.001 0.000 0.265 100 H C 1.235 176.476 175.328 -0.146 0.000 0.964 100 H CA 0.575 56.405 56.048 -0.362 0.000 1.156 100 H CB -0.096 29.001 29.762 -1.108 0.000 1.411 100 H HN 0.216 nan 8.280 nan 0.000 0.558 101 G N 0.350 109.172 108.800 0.036 0.000 2.756 101 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.678 101 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.678 101 G C 0.449 175.280 174.900 -0.113 0.000 1.349 101 G CA -0.235 44.834 45.100 -0.052 0.000 0.847 101 G HN 0.091 nan 8.290 nan 0.000 0.548 102 I N 0.887 121.152 120.570 -0.509 0.000 2.286 102 I HA -0.013 4.156 4.170 -0.001 0.000 0.245 102 I C 0.325 176.221 176.117 -0.367 0.000 1.104 102 I CA 1.626 62.565 61.300 -0.602 0.000 1.397 102 I CB -2.351 34.966 38.000 -1.139 0.000 1.072 102 I HN 0.321 nan 8.210 nan 0.000 0.417 103 P HA -0.228 nan 4.420 nan 0.000 0.216 103 P C 2.030 179.328 177.300 -0.004 0.000 1.153 103 P CA 1.432 64.476 63.100 -0.094 0.000 0.858 103 P CB -0.266 31.426 31.700 -0.013 0.000 0.789 104 F N 0.103 119.996 119.950 -0.094 0.000 2.120 104 F HA -0.214 4.312 4.527 -0.001 0.000 0.300 104 F C 1.947 177.725 175.800 -0.035 0.000 1.095 104 F CA 1.347 59.318 58.000 -0.048 0.000 1.249 104 F CB -0.875 38.111 39.000 -0.024 0.000 0.995 104 F HN -0.211 nan 8.300 nan 0.000 0.480 105 L N 0.549 121.807 121.223 0.059 0.000 2.072 105 L HA 0.070 4.409 4.340 -0.001 0.000 0.205 105 L C 2.529 179.310 176.870 -0.149 0.000 1.079 105 L CA 1.844 56.671 54.840 -0.022 0.000 0.752 105 L CB -1.344 40.758 42.059 0.072 0.000 0.906 105 L HN 0.189 nan 8.230 nan 0.000 0.436 106 A N -0.710 121.988 122.820 -0.204 0.000 1.902 106 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 106 A C 1.982 179.256 177.584 -0.517 0.000 1.181 106 A CA 1.975 53.781 52.037 -0.385 0.000 0.623 106 A CB -0.804 18.050 19.000 -0.244 0.000 0.818 106 A HN 0.501 nan 8.150 nan 0.000 0.443 107 D N -1.812 118.440 120.400 -0.247 0.000 2.144 107 D HA -0.141 4.498 4.640 -0.001 0.000 0.199 107 D C 1.676 177.875 176.300 -0.168 0.000 0.984 107 D CA 1.446 55.361 54.000 -0.142 0.000 0.834 107 D CB -0.445 40.303 40.800 -0.087 0.000 0.955 107 D HN 0.597 nan 8.370 nan 0.000 0.465 108 Y N 1.493 121.558 120.300 -0.391 0.000 2.145 108 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 108 Y C 2.282 178.056 175.900 -0.209 0.000 1.145 108 Y CA 1.082 58.968 58.100 -0.357 0.000 1.148 108 Y CB -0.400 37.763 38.460 -0.495 0.000 0.981 108 Y HN -0.222 nan 8.280 nan 0.000 0.507 109 V N 0.176 119.994 119.914 -0.159 0.000 2.295 109 V HA -0.367 3.752 4.120 -0.001 0.000 0.246 109 V C 2.125 178.148 176.094 -0.117 0.000 1.049 109 V CA 2.531 64.738 62.300 -0.155 0.000 1.024 109 V CB -0.821 30.936 31.823 -0.110 0.000 0.648 109 V HN 0.548 nan 8.190 nan 0.000 0.447 110 H N 0.144 119.149 119.070 -0.108 0.000 2.387 110 H HA -0.138 4.418 4.556 -0.001 0.000 0.299 110 H C 2.470 177.721 175.328 -0.130 0.000 1.090 110 H CA 1.359 57.348 56.048 -0.098 0.000 1.332 110 H CB -0.040 29.684 29.762 -0.063 0.000 1.386 110 H HN 0.590 nan 8.280 nan 0.000 0.516 111 S N 0.783 116.443 115.700 -0.067 0.000 2.474 111 S HA -0.077 4.392 4.470 -0.001 0.000 0.235 111 S C 1.637 176.131 174.600 -0.177 0.000 0.997 111 S CA 0.749 58.867 58.200 -0.136 0.000 0.949 111 S CB -0.236 62.843 63.200 -0.201 0.000 0.766 111 S HN 0.356 nan 8.310 nan 0.000 0.517 112 L N 0.839 121.934 121.223 -0.213 0.000 2.628 112 L HA 0.382 4.721 4.340 -0.001 0.000 0.229 112 L C 1.593 178.409 176.870 -0.090 0.000 1.137 112 L CA 0.197 54.928 54.840 -0.182 0.000 0.909 112 L CB -0.376 41.532 42.059 -0.251 0.000 1.137 112 L HN 0.548 nan 8.230 nan 0.000 0.470 113 G N 0.762 109.526 108.800 -0.060 0.000 2.147 113 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 113 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 113 G C -0.018 174.866 174.900 -0.027 0.000 1.005 113 G CA 0.176 45.253 45.100 -0.038 0.000 0.713 113 G HN 0.261 nan 8.290 nan 0.000 0.515 114 L N -1.290 119.928 121.223 -0.009 0.000 2.298 114 L HA 0.757 5.096 4.340 -0.001 0.000 0.268 114 L C 0.550 177.447 176.870 0.045 0.000 1.010 114 L CA -1.195 53.641 54.840 -0.006 0.000 0.812 114 L CB 1.526 43.587 42.059 0.003 0.000 1.331 114 L HN -0.012 nan 8.230 nan 0.000 0.450 115 K N 0.982 121.365 120.400 -0.029 0.000 2.318 115 K HA 0.595 4.915 4.320 -0.001 0.000 0.249 115 K C -1.507 175.157 176.600 0.107 0.000 0.942 115 K CA -0.843 55.459 56.287 0.025 0.000 0.808 115 K CB 2.644 34.969 32.500 -0.291 0.000 1.189 115 K HN 0.197 nan 8.250 nan 0.000 0.428 116 L N 1.092 122.398 121.223 0.138 0.000 2.296 116 L HA 0.517 4.857 4.340 -0.001 0.000 0.286 116 L C -0.337 176.608 176.870 0.126 0.000 1.023 116 L CA 0.124 55.011 54.840 0.078 0.000 0.812 116 L CB 1.514 43.523 42.059 -0.083 0.000 1.223 116 L HN 0.728 nan 8.230 nan 0.000 0.421 117 G N 5.048 113.918 108.800 0.117 0.000 2.371 117 G HA2 0.613 4.572 3.960 -0.001 0.000 0.326 117 G HA3 0.613 4.572 3.960 -0.001 0.000 0.326 117 G C -1.175 173.664 174.900 -0.101 0.000 1.127 117 G CA -0.394 44.742 45.100 0.061 0.000 0.885 117 G HN 0.722 nan 8.290 nan 0.000 0.477 118 I N -0.089 120.370 120.570 -0.185 0.000 3.294 118 I HA 0.780 4.950 4.170 -0.001 0.000 0.311 118 I C -1.624 174.417 176.117 -0.127 0.000 1.111 118 I CA -1.566 59.526 61.300 -0.348 0.000 0.976 118 I CB 2.582 40.186 38.000 -0.660 0.000 1.260 118 I HN 0.520 nan 8.210 nan 0.000 0.474 119 Y N 2.715 122.936 120.300 -0.132 0.000 2.457 119 Y HA 0.799 5.348 4.550 -0.001 0.000 0.343 119 Y C -1.069 175.065 175.900 0.389 0.000 0.994 119 Y CA -0.408 57.790 58.100 0.164 0.000 1.031 119 Y CB 1.668 40.284 38.460 0.260 0.000 1.246 119 Y HN 0.668 nan 8.280 nan 0.000 0.449 120 A N 4.031 126.671 122.820 -0.300 0.000 2.569 120 A HA 0.563 4.883 4.320 -0.001 0.000 0.290 120 A C -2.068 175.231 177.584 -0.476 0.000 1.136 120 A CA -0.706 51.257 52.037 -0.123 0.000 0.710 120 A CB 1.861 21.001 19.000 0.235 0.000 1.303 120 A HN 0.691 nan 8.150 nan 0.000 0.413 121 D N 0.952 121.237 120.400 -0.192 0.000 2.593 121 D HA 0.403 5.042 4.640 -0.001 0.000 0.251 121 D C -1.104 175.124 176.300 -0.120 0.000 1.140 121 D CA -0.439 53.473 54.000 -0.147 0.000 0.855 121 D CB 1.524 42.340 40.800 0.027 0.000 1.267 121 D HN 0.437 nan 8.370 nan 0.000 0.532 122 M N 4.112 123.595 119.600 -0.194 0.000 2.618 122 M HA 0.387 4.867 4.480 -0.001 0.000 0.322 122 M C -0.107 176.092 176.300 -0.168 0.000 1.471 122 M CA 0.290 55.434 55.300 -0.261 0.000 1.450 122 M CB -0.635 31.641 32.600 -0.540 0.000 1.444 122 M HN 0.540 nan 8.290 nan 0.000 0.471 123 G N 3.067 111.795 108.800 -0.119 0.000 2.341 123 G HA2 0.006 3.965 3.960 -0.001 0.000 0.293 123 G HA3 0.006 3.965 3.960 -0.001 0.000 0.293 123 G C -0.194 174.645 174.900 -0.103 0.000 1.298 123 G CA -0.767 44.296 45.100 -0.062 0.000 0.868 123 G HN 0.384 nan 8.290 nan 0.000 0.540 124 N N -0.893 117.732 118.700 -0.125 0.000 2.188 124 N HA 0.138 4.877 4.740 -0.001 0.000 0.184 124 N C 0.169 175.179 175.510 -0.833 0.000 1.018 124 N CA 1.260 54.010 53.050 -0.499 0.000 0.858 124 N CB -0.230 37.913 38.487 -0.573 0.000 0.989 124 N HN 0.358 nan 8.380 nan 0.000 0.426 125 F N -1.045 118.887 119.950 -0.029 0.000 2.643 125 F HA 0.279 4.805 4.527 -0.001 0.000 0.314 125 F C 0.664 176.579 175.800 0.192 0.000 1.096 125 F CA -1.359 56.608 58.000 -0.056 0.000 0.953 125 F CB 0.996 39.738 39.000 -0.429 0.000 1.345 125 F HN -0.298 nan 8.300 nan 0.000 0.468 126 T N -2.763 112.046 114.554 0.426 0.000 2.766 126 T HA 0.078 4.427 4.350 -0.001 0.000 0.295 126 T C 1.031 176.063 174.700 0.553 0.000 1.024 126 T CA -0.592 61.786 62.100 0.464 0.000 1.018 126 T CB 0.748 69.928 68.868 0.520 0.000 1.002 126 T HN 0.759 nan 8.240 nan 0.000 0.532 127 c N 0.688 119.561 118.600 0.455 0.000 2.410 127 c HA -0.025 4.544 4.570 -0.001 0.000 0.281 127 c C 2.497 176.830 174.090 0.406 0.000 1.318 127 c CA 0.208 56.770 56.329 0.387 0.000 1.776 127 c CB -1.307 41.320 42.510 0.196 0.000 1.942 127 c HN 0.740 nan 8.230 nan 0.000 0.508 128 M N -0.032 119.796 119.600 0.380 0.000 2.494 128 M HA 0.178 4.657 4.480 -0.001 0.000 0.232 128 M C 1.689 178.170 176.300 0.302 0.000 1.137 128 M CA 0.803 56.337 55.300 0.390 0.000 1.012 128 M CB -1.123 31.767 32.600 0.483 0.000 1.567 128 M HN 0.559 nan 8.290 nan 0.000 0.486 129 G N 0.067 109.012 108.800 0.242 0.000 2.157 129 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.239 129 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.239 129 G C -0.144 174.714 174.900 -0.069 0.000 0.982 129 G CA -0.306 44.728 45.100 -0.109 0.000 0.650 129 G HN 0.442 nan 8.290 nan 0.000 0.527 130 Y N 0.493 120.866 120.300 0.122 0.000 2.298 130 Y HA 0.459 5.008 4.550 -0.001 0.000 0.329 130 Y C -1.572 174.414 175.900 0.143 0.000 1.293 130 Y CA -1.948 56.210 58.100 0.097 0.000 1.388 130 Y CB 0.490 38.967 38.460 0.029 0.000 1.309 130 Y HN -0.048 nan 8.280 nan 0.000 0.544 131 P HA -0.042 nan 4.420 nan 0.000 0.260 131 P C -0.167 177.147 177.300 0.024 0.000 1.172 131 P CA 0.406 63.547 63.100 0.068 0.000 0.760 131 P CB 0.284 31.987 31.700 0.006 0.000 0.773 132 G N 2.179 110.927 108.800 -0.086 0.000 2.451 132 G HA2 0.368 4.327 3.960 -0.001 0.000 0.303 132 G HA3 0.368 4.327 3.960 -0.001 0.000 0.303 132 G C -0.530 174.304 174.900 -0.110 0.000 1.166 132 G CA -0.381 44.669 45.100 -0.083 0.000 0.884 132 G HN 0.293 nan 8.290 nan 0.000 0.514 133 T N 1.613 116.114 114.554 -0.088 0.000 3.151 133 T HA 0.370 4.720 4.350 -0.001 0.000 0.332 133 T C 1.013 175.627 174.700 -0.142 0.000 1.245 133 T CA -0.279 61.755 62.100 -0.109 0.000 1.019 133 T CB -0.287 68.533 68.868 -0.079 0.000 1.109 133 T HN 0.785 nan 8.240 nan 0.000 0.621 134 T N 0.833 115.295 114.554 -0.153 0.000 2.766 134 T HA 0.321 4.670 4.350 -0.001 0.000 0.295 134 T C 1.792 176.406 174.700 -0.143 0.000 1.024 134 T CA -0.863 61.146 62.100 -0.152 0.000 1.018 134 T CB 0.593 69.368 68.868 -0.156 0.000 1.002 134 T HN 0.301 nan 8.240 nan 0.000 0.532 135 L N 0.875 122.019 121.223 -0.132 0.000 2.043 135 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 135 L C 2.578 179.379 176.870 -0.115 0.000 1.075 135 L CA 2.031 56.797 54.840 -0.124 0.000 0.752 135 L CB -0.730 41.266 42.059 -0.105 0.000 0.891 135 L HN 0.858 nan 8.230 nan 0.000 0.432 136 D N -0.914 119.421 120.400 -0.107 0.000 2.378 136 D HA -0.143 4.497 4.640 -0.001 0.000 0.227 136 D C 1.481 177.714 176.300 -0.112 0.000 1.012 136 D CA 0.741 54.681 54.000 -0.100 0.000 0.905 136 D CB -0.058 40.690 40.800 -0.087 0.000 0.895 136 D HN 0.234 nan 8.370 nan 0.000 0.532 137 K N 0.067 120.390 120.400 -0.128 0.000 2.373 137 K HA 0.166 4.485 4.320 -0.001 0.000 0.200 137 K C 1.978 178.477 176.600 -0.168 0.000 1.054 137 K CA -0.072 56.128 56.287 -0.145 0.000 1.065 137 K CB 0.640 33.053 32.500 -0.145 0.000 0.886 137 K HN 0.059 nan 8.250 nan 0.000 0.546 138 V N 1.363 121.182 119.914 -0.157 0.000 2.252 138 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 138 V C 2.357 178.343 176.094 -0.179 0.000 1.056 138 V CA 1.808 64.008 62.300 -0.166 0.000 1.022 138 V CB -0.434 31.296 31.823 -0.156 0.000 0.641 138 V HN -0.044 nan 8.190 nan 0.000 0.445 139 V N -0.609 119.210 119.914 -0.158 0.000 2.307 139 V HA -0.329 3.790 4.120 -0.001 0.000 0.245 139 V C 2.383 178.363 176.094 -0.189 0.000 1.045 139 V CA 2.386 64.594 62.300 -0.153 0.000 1.024 139 V CB -0.694 31.058 31.823 -0.119 0.000 0.651 139 V HN 0.615 nan 8.190 nan 0.000 0.449 140 Q N -0.271 119.412 119.800 -0.196 0.000 2.084 140 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 140 Q C 1.919 177.706 176.000 -0.355 0.000 0.978 140 Q CA 2.138 57.804 55.803 -0.229 0.000 0.844 140 Q CB -0.095 28.529 28.738 -0.191 0.000 0.898 140 Q HN 0.641 nan 8.270 nan 0.000 0.426 141 D N 0.010 120.160 120.400 -0.416 0.000 2.117 141 D HA -0.097 4.542 4.640 -0.001 0.000 0.198 141 D C 1.713 177.459 176.300 -0.922 0.000 0.982 141 D CA 1.271 54.827 54.000 -0.740 0.000 0.828 141 D CB -0.325 40.119 40.800 -0.593 0.000 0.967 141 D HN 0.388 nan 8.370 nan 0.000 0.464 142 A N 0.817 123.367 122.820 -0.451 0.000 1.883 142 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 142 A C 2.123 179.568 177.584 -0.231 0.000 1.186 142 A CA 1.698 53.596 52.037 -0.231 0.000 0.624 142 A CB -0.717 18.189 19.000 -0.157 0.000 0.822 142 A HN 0.228 nan 8.150 nan 0.000 0.444 143 Q N -1.094 118.548 119.800 -0.262 0.000 2.084 143 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 143 Q C 2.237 178.059 176.000 -0.296 0.000 0.978 143 Q CA 1.903 57.577 55.803 -0.215 0.000 0.844 143 Q CB -0.412 28.217 28.738 -0.182 0.000 0.898 143 Q HN 0.682 nan 8.270 nan 0.000 0.426 144 T N 0.793 115.050 114.554 -0.495 0.000 2.684 144 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 144 T C 1.369 175.571 174.700 -0.830 0.000 1.036 144 T CA 1.249 62.886 62.100 -0.771 0.000 1.148 144 T CB -0.291 67.982 68.868 -0.990 0.000 0.863 144 T HN 0.146 nan 8.240 nan 0.000 0.436 145 F N 1.780 121.413 119.950 -0.528 0.000 2.126 145 F HA 0.045 4.571 4.527 -0.001 0.000 0.299 145 F C 2.692 178.436 175.800 -0.094 0.000 1.096 145 F CA 0.243 58.078 58.000 -0.274 0.000 1.255 145 F CB -1.462 37.460 39.000 -0.131 0.000 0.997 145 F HN 0.157 nan 8.300 nan 0.000 0.479 146 A N -0.232 122.630 122.820 0.071 0.000 1.898 146 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 146 A C 2.152 179.782 177.584 0.076 0.000 1.181 146 A CA 1.649 53.728 52.037 0.070 0.000 0.620 146 A CB -0.830 18.181 19.000 0.019 0.000 0.819 146 A HN 0.395 nan 8.150 nan 0.000 0.442 147 E N -1.183 119.021 120.200 0.006 0.000 2.110 147 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 147 E C 1.576 178.321 176.600 0.241 0.000 0.988 147 E CA 1.273 57.711 56.400 0.064 0.000 0.804 147 E CB -0.163 29.526 29.700 -0.017 0.000 0.745 147 E HN 0.845 nan 8.360 nan 0.000 0.458 148 W N 0.527 121.882 121.300 0.092 0.000 2.699 148 W HA 0.050 4.709 4.660 -0.001 0.000 0.249 148 W C 0.340 176.908 176.519 0.082 0.000 1.280 148 W CA 0.526 57.922 57.345 0.085 0.000 1.345 148 W CB -0.081 29.433 29.460 0.091 0.000 1.128 148 W HN 0.014 nan 8.180 nan 0.000 0.642 149 K N -1.053 119.533 120.400 0.311 0.000 3.251 149 K HA -0.164 4.155 4.320 -0.001 0.000 0.282 149 K C -0.015 176.760 176.600 0.292 0.000 1.201 149 K CA 0.097 56.549 56.287 0.275 0.000 0.827 149 K CB -2.086 30.597 32.500 0.304 0.000 1.286 149 K HN -0.169 nan 8.250 nan 0.000 0.503 150 V N 1.398 121.456 119.914 0.239 0.000 2.999 150 V HA -0.068 4.051 4.120 -0.001 0.000 0.307 150 V C 1.419 177.623 176.094 0.183 0.000 1.084 150 V CA 0.729 63.128 62.300 0.165 0.000 1.155 150 V CB 0.977 32.861 31.823 0.103 0.000 0.975 150 V HN 0.263 nan 8.190 nan 0.000 0.490 151 D N 2.085 122.605 120.400 0.199 0.000 2.479 151 D HA 0.242 4.881 4.640 -0.001 0.000 0.216 151 D C 0.165 176.627 176.300 0.270 0.000 1.110 151 D CA 0.382 54.531 54.000 0.248 0.000 0.841 151 D CB 1.179 42.157 40.800 0.296 0.000 1.040 151 D HN 0.477 nan 8.370 nan 0.000 0.505 152 M N 1.127 120.840 119.600 0.189 0.000 2.465 152 M HA 0.357 4.836 4.480 -0.001 0.000 0.284 152 M C -2.395 173.931 176.300 0.043 0.000 1.212 152 M CA -0.837 54.536 55.300 0.121 0.000 0.910 152 M CB 2.883 35.508 32.600 0.041 0.000 1.725 152 M HN -0.150 nan 8.290 nan 0.000 0.477 153 L N 3.786 125.064 121.223 0.092 0.000 2.381 153 L HA 0.612 4.952 4.340 -0.001 0.000 0.274 153 L C -1.437 175.545 176.870 0.186 0.000 0.988 153 L CA -0.153 54.728 54.840 0.068 0.000 0.824 153 L CB 1.801 43.906 42.059 0.075 0.000 1.263 153 L HN 0.754 nan 8.230 nan 0.000 0.410 154 K N 4.755 125.226 120.400 0.119 0.000 2.234 154 K HA 0.487 4.806 4.320 -0.001 0.000 0.277 154 K C -1.473 175.159 176.600 0.054 0.000 1.038 154 K CA -0.670 55.701 56.287 0.139 0.000 0.888 154 K CB 1.020 33.640 32.500 0.200 0.000 1.091 154 K HN 0.651 nan 8.250 nan 0.000 0.467 155 L N 5.196 126.494 121.223 0.125 0.000 2.301 155 L HA 0.314 4.653 4.340 -0.001 0.000 0.278 155 L C -0.747 176.197 176.870 0.123 0.000 1.022 155 L CA -0.258 54.618 54.840 0.060 0.000 0.854 155 L CB 0.772 42.946 42.059 0.192 0.000 1.226 155 L HN 0.667 nan 8.230 nan 0.000 0.429 156 D N 2.694 123.066 120.400 -0.047 0.000 2.384 156 D HA 0.496 5.136 4.640 -0.001 0.000 0.244 156 D C 0.669 177.039 176.300 0.116 0.000 1.251 156 D CA 0.557 54.651 54.000 0.158 0.000 0.961 156 D CB 1.477 42.376 40.800 0.165 0.000 1.116 156 D HN 0.664 nan 8.370 nan 0.000 0.484 157 G N -0.435 108.363 108.800 -0.003 0.000 4.552 157 G HA2 0.168 4.127 3.960 -0.001 0.000 0.281 157 G HA3 0.168 4.127 3.960 -0.001 0.000 0.281 157 G C 0.095 174.534 174.900 -0.770 0.000 1.037 157 G CA -0.167 44.677 45.100 -0.427 0.000 0.806 157 G HN 0.478 nan 8.290 nan 0.000 0.495 158 c N 0.023 118.417 118.600 -0.344 0.000 2.700 158 c HA 0.357 4.926 4.570 -0.001 0.000 0.397 158 c C 1.092 175.146 174.090 -0.061 0.000 1.301 158 c CA 0.479 56.664 56.329 -0.240 0.000 2.219 158 c CB -1.070 41.417 42.510 -0.037 0.000 2.699 158 c HN 0.716 nan 8.230 nan 0.000 0.669 159 F N 1.292 121.245 119.950 0.005 0.000 3.067 159 F HA -0.194 4.333 4.527 -0.001 0.000 0.279 159 F C 0.874 176.660 175.800 -0.024 0.000 0.945 159 F CA 0.826 58.855 58.000 0.048 0.000 0.948 159 F CB -2.002 37.107 39.000 0.181 0.000 0.898 159 F HN 0.709 nan 8.300 nan 0.000 0.746 160 S N -2.102 113.606 115.700 0.014 0.000 2.588 160 S HA 0.842 5.311 4.470 -0.001 0.000 0.275 160 S C -0.125 174.462 174.600 -0.022 0.000 1.130 160 S CA -0.373 57.815 58.200 -0.021 0.000 0.855 160 S CB 2.375 65.526 63.200 -0.082 0.000 1.116 160 S HN 0.374 nan 8.310 nan 0.000 0.472 161 T N -1.416 113.133 114.554 -0.008 0.000 2.899 161 T HA 0.529 4.879 4.350 -0.001 0.000 0.284 161 T C -2.105 172.609 174.700 0.024 0.000 1.004 161 T CA -1.757 60.350 62.100 0.011 0.000 1.043 161 T CB 0.488 69.364 68.868 0.013 0.000 1.013 161 T HN 0.305 nan 8.240 nan 0.000 0.518 162 P HA -0.170 nan 4.420 nan 0.000 0.216 162 P C 1.673 179.031 177.300 0.097 0.000 1.153 162 P CA 1.162 64.326 63.100 0.107 0.000 0.858 162 P CB 0.046 31.805 31.700 0.098 0.000 0.789 163 E N 0.270 120.502 120.200 0.053 0.000 2.150 163 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 163 E C 1.737 178.333 176.600 -0.007 0.000 0.985 163 E CA 1.175 57.595 56.400 0.033 0.000 0.814 163 E CB -0.941 28.771 29.700 0.021 0.000 0.752 163 E HN 0.388 nan 8.360 nan 0.000 0.466 164 E N 0.966 121.151 120.200 -0.026 0.000 2.072 164 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 164 E C 2.311 178.837 176.600 -0.123 0.000 0.985 164 E CA 0.771 57.129 56.400 -0.070 0.000 0.801 164 E CB -0.028 29.631 29.700 -0.068 0.000 0.750 164 E HN 0.205 nan 8.360 nan 0.000 0.452 165 R N 0.328 120.761 120.500 -0.111 0.000 2.092 165 R HA -0.065 4.274 4.340 -0.001 0.000 0.231 165 R C 2.357 178.355 176.300 -0.503 0.000 1.119 165 R CA 1.035 57.001 56.100 -0.223 0.000 0.970 165 R CB -0.261 29.968 30.300 -0.119 0.000 0.864 165 R HN 0.095 nan 8.270 nan 0.000 0.440 166 A N 0.998 123.701 122.820 -0.194 0.000 1.972 166 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 166 A C 1.976 179.477 177.584 -0.139 0.000 1.169 166 A CA 1.255 53.258 52.037 -0.057 0.000 0.635 166 A CB -0.237 18.876 19.000 0.187 0.000 0.810 166 A HN 0.336 nan 8.150 nan 0.000 0.446 167 Q N -1.209 118.514 119.800 -0.127 0.000 2.123 167 Q HA 0.015 4.354 4.340 -0.001 0.000 0.196 167 Q C 2.263 178.170 176.000 -0.156 0.000 0.958 167 Q CA 0.865 56.605 55.803 -0.106 0.000 0.841 167 Q CB -0.278 28.413 28.738 -0.078 0.000 0.915 167 Q HN 0.648 nan 8.270 nan 0.000 0.455 168 G N -0.317 108.350 108.800 -0.223 0.000 2.394 168 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.215 168 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.215 168 G C 0.919 175.644 174.900 -0.292 0.000 1.165 168 G CA 0.491 45.432 45.100 -0.266 0.000 0.784 168 G HN 0.245 nan 8.290 nan 0.000 0.535 169 Y N 1.617 121.690 120.300 -0.379 0.000 2.163 169 Y HA -0.013 4.536 4.550 -0.001 0.000 0.288 169 Y C 0.477 176.386 175.900 0.015 0.000 1.136 169 Y CA 1.666 59.644 58.100 -0.203 0.000 1.147 169 Y CB -1.024 37.115 38.460 -0.535 0.000 0.987 169 Y HN 0.250 nan 8.280 nan 0.000 0.509 170 P HA -0.183 nan 4.420 nan 0.000 0.216 170 P C 1.307 178.629 177.300 0.037 0.000 1.153 170 P CA 1.829 64.992 63.100 0.104 0.000 0.848 170 P CB -0.031 31.710 31.700 0.069 0.000 0.787 171 K N -0.762 119.619 120.400 -0.031 0.000 2.063 171 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 171 K C 2.045 178.589 176.600 -0.094 0.000 1.048 171 K CA 1.720 57.967 56.287 -0.066 0.000 0.928 171 K CB -0.460 31.982 32.500 -0.096 0.000 0.713 171 K HN -0.042 nan 8.250 nan 0.000 0.442 172 M N 0.633 120.164 119.600 -0.114 0.000 2.132 172 M HA -0.041 4.438 4.480 -0.001 0.000 0.263 172 M C 1.865 177.958 176.300 -0.344 0.000 1.065 172 M CA 1.758 56.925 55.300 -0.222 0.000 1.122 172 M CB -0.377 32.086 32.600 -0.228 0.000 1.365 172 M HN 0.188 nan 8.290 nan 0.000 0.411 173 A N -0.106 122.582 122.820 -0.221 0.000 1.883 173 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 173 A C 2.387 179.916 177.584 -0.093 0.000 1.186 173 A CA 2.299 54.240 52.037 -0.160 0.000 0.624 173 A CB -1.505 17.614 19.000 0.200 0.000 0.822 173 A HN 0.652 nan 8.150 nan 0.000 0.444 174 A N -0.371 122.420 122.820 -0.049 0.000 1.898 174 A HA 0.200 4.519 4.320 -0.001 0.000 0.216 174 A C 2.491 180.035 177.584 -0.067 0.000 1.181 174 A CA 2.016 54.030 52.037 -0.038 0.000 0.620 174 A CB -0.947 18.039 19.000 -0.023 0.000 0.819 174 A HN 1.061 nan 8.150 nan 0.000 0.442 175 A N -0.306 122.454 122.820 -0.101 0.000 1.930 175 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 175 A C 2.149 179.667 177.584 -0.111 0.000 1.175 175 A CA 1.368 53.340 52.037 -0.109 0.000 0.627 175 A CB -0.547 18.374 19.000 -0.131 0.000 0.815 175 A HN 0.462 nan 8.150 nan 0.000 0.443 176 L N -0.196 120.938 121.223 -0.148 0.000 2.046 176 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 176 L C 2.631 179.463 176.870 -0.063 0.000 1.077 176 L CA 1.464 56.232 54.840 -0.120 0.000 0.747 176 L CB -0.638 41.300 42.059 -0.201 0.000 0.896 176 L HN 0.544 nan 8.230 nan 0.000 0.432 177 N N 0.680 119.347 118.700 -0.054 0.000 2.069 177 N HA -0.213 4.526 4.740 -0.001 0.000 0.191 177 N C 1.823 177.323 175.510 -0.017 0.000 1.031 177 N CA 1.696 54.735 53.050 -0.018 0.000 0.852 177 N CB 0.078 38.562 38.487 -0.004 0.000 1.018 177 N HN 0.317 nan 8.380 nan 0.000 0.423 178 A N 0.248 123.049 122.820 -0.030 0.000 2.076 178 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 178 A C 2.242 179.809 177.584 -0.027 0.000 1.160 178 A CA 2.212 54.231 52.037 -0.028 0.000 0.653 178 A CB -1.101 17.875 19.000 -0.038 0.000 0.801 178 A HN 0.666 nan 8.150 nan 0.000 0.455 179 T N -4.079 110.456 114.554 -0.031 0.000 2.962 179 T HA 0.253 4.603 4.350 -0.001 0.000 0.270 179 T C 1.709 176.405 174.700 -0.007 0.000 1.088 179 T CA 1.417 63.502 62.100 -0.025 0.000 1.127 179 T CB -0.449 68.403 68.868 -0.026 0.000 0.883 179 T HN 1.723 nan 8.240 nan 0.000 0.493 180 G N 1.405 110.204 108.800 -0.001 0.000 2.199 180 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.254 180 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.254 180 G C 0.199 175.110 174.900 0.019 0.000 0.982 180 G CA 0.202 45.307 45.100 0.009 0.000 0.632 180 G HN 0.881 nan 8.290 nan 0.000 0.529 181 R N 1.414 121.928 120.500 0.023 0.000 2.254 181 R HA 0.514 4.854 4.340 -0.001 0.000 0.318 181 R C -2.444 173.884 176.300 0.047 0.000 1.031 181 R CA -1.768 54.355 56.100 0.038 0.000 0.905 181 R CB 0.758 31.088 30.300 0.051 0.000 1.050 181 R HN 0.036 nan 8.270 nan 0.000 0.456 182 P HA 0.077 nan 4.420 nan 0.000 0.265 182 P C -0.952 176.408 177.300 0.100 0.000 1.222 182 P CA 0.391 63.536 63.100 0.076 0.000 0.767 182 P CB 0.376 32.121 31.700 0.075 0.000 0.801 183 I N 2.380 123.013 120.570 0.105 0.000 2.468 183 I HA 0.387 4.557 4.170 -0.001 0.000 0.284 183 I C 0.266 176.477 176.117 0.157 0.000 1.038 183 I CA -1.129 60.246 61.300 0.125 0.000 1.083 183 I CB 1.889 39.940 38.000 0.086 0.000 1.223 183 I HN 0.262 nan 8.210 nan 0.000 0.443 184 A N 6.129 129.063 122.820 0.189 0.000 2.511 184 A HA 0.289 4.609 4.320 -0.001 0.000 0.242 184 A C -0.856 176.889 177.584 0.268 0.000 1.069 184 A CA 0.524 52.678 52.037 0.195 0.000 0.763 184 A CB 0.045 19.108 19.000 0.104 0.000 1.001 184 A HN 0.519 nan 8.150 nan 0.000 0.498 185 F N 3.085 123.098 119.950 0.104 0.000 2.403 185 F HA 0.500 5.026 4.527 -0.001 0.000 0.355 185 F C 0.272 176.171 175.800 0.165 0.000 1.119 185 F CA -1.033 57.045 58.000 0.131 0.000 1.007 185 F CB 1.523 40.617 39.000 0.157 0.000 1.194 185 F HN 0.425 nan 8.300 nan 0.000 0.443 186 S N 6.161 121.916 115.700 0.090 0.000 2.422 186 S HA 0.611 5.080 4.470 -0.001 0.000 0.308 186 S C -0.935 173.602 174.600 -0.105 0.000 1.097 186 S CA -0.319 57.877 58.200 -0.008 0.000 1.099 186 S CB -0.217 63.019 63.200 0.060 0.000 0.976 186 S HN 0.658 nan 8.310 nan 0.000 0.471 187 c N 4.215 122.765 118.600 -0.083 0.000 2.322 187 c HA 0.470 5.039 4.570 -0.001 0.000 0.324 187 c C 1.503 175.687 174.090 0.156 0.000 1.284 187 c CA -0.782 55.556 56.329 0.015 0.000 1.606 187 c CB 0.735 43.183 42.510 -0.105 0.000 2.251 187 c HN 0.928 nan 8.230 nan 0.000 0.502 188 S N 0.902 116.757 115.700 0.257 0.000 2.593 188 S HA -0.062 4.408 4.470 -0.001 0.000 0.217 188 S C 1.504 176.273 174.600 0.282 0.000 0.966 188 S CA -0.207 58.153 58.200 0.267 0.000 0.914 188 S CB -0.152 63.276 63.200 0.381 0.000 0.776 188 S HN 0.932 nan 8.310 nan 0.000 0.523 189 W N 4.469 125.608 121.300 -0.268 0.000 2.280 189 W HA -0.188 4.472 4.660 -0.001 0.000 0.332 189 W C -1.528 174.890 176.519 -0.169 0.000 1.300 189 W CA 1.672 58.717 57.345 -0.500 0.000 1.274 189 W CB -1.853 26.836 29.460 -1.284 0.000 1.141 189 W HN 0.237 nan 8.180 nan 0.000 0.474 190 P HA -0.129 nan 4.420 nan 0.000 0.218 190 P C 1.472 178.685 177.300 -0.146 0.000 1.149 190 P CA 2.937 65.839 63.100 -0.330 0.000 0.817 190 P CB -0.516 30.971 31.700 -0.354 0.000 0.785 191 A N -0.620 122.129 122.820 -0.119 0.000 1.978 191 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 191 A C 1.953 179.344 177.584 -0.323 0.000 1.170 191 A CA 1.339 53.215 52.037 -0.268 0.000 0.636 191 A CB -1.822 16.944 19.000 -0.389 0.000 0.810 191 A HN 0.174 nan 8.150 nan 0.000 0.448 192 Y N 0.115 120.408 120.300 -0.012 0.000 2.561 192 Y HA 0.028 4.577 4.550 -0.001 0.000 0.291 192 Y C 1.560 177.458 175.900 -0.003 0.000 1.141 192 Y CA 0.991 59.095 58.100 0.008 0.000 1.303 192 Y CB 0.291 38.791 38.460 0.067 0.000 1.015 192 Y HN 0.326 nan 8.280 nan 0.000 0.547 193 E N -0.916 119.325 120.200 0.067 0.000 2.501 193 E HA 0.251 4.600 4.350 -0.001 0.000 0.200 193 E C 1.521 178.102 176.600 -0.032 0.000 1.016 193 E CA 0.576 56.979 56.400 0.005 0.000 0.921 193 E CB 0.670 30.322 29.700 -0.079 0.000 1.034 193 E HN 0.440 nan 8.360 nan 0.000 0.468 194 G N 0.928 109.711 108.800 -0.027 0.000 2.175 194 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.244 194 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.244 194 G C 1.054 175.999 174.900 0.075 0.000 0.982 194 G CA 0.252 45.361 45.100 0.014 0.000 0.641 194 G HN 0.723 nan 8.290 nan 0.000 0.527 195 G N -1.186 107.622 108.800 0.012 0.000 2.189 195 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.267 195 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.267 195 G C 0.274 175.305 174.900 0.217 0.000 0.975 195 G CA 1.183 46.364 45.100 0.135 0.000 0.644 195 G HN 1.524 nan 8.290 nan 0.000 0.537 196 L N -0.435 120.817 121.223 0.047 0.000 2.350 196 L HA 0.551 4.890 4.340 -0.001 0.000 0.260 196 L C -2.346 174.476 176.870 -0.081 0.000 1.015 196 L CA -2.766 52.064 54.840 -0.016 0.000 0.821 196 L CB 2.284 44.260 42.059 -0.138 0.000 1.370 196 L HN -0.217 nan 8.230 nan 0.000 0.416 197 P HA 0.057 nan 4.420 nan 0.000 0.268 197 P C -2.088 175.167 177.300 -0.075 0.000 1.208 197 P CA -0.753 62.296 63.100 -0.085 0.000 0.777 197 P CB 0.080 31.747 31.700 -0.056 0.000 0.875 198 P HA 0.096 nan 4.420 nan 0.000 0.240 198 P C 1.028 178.258 177.300 -0.116 0.000 1.190 198 P CA 0.896 63.945 63.100 -0.084 0.000 0.781 198 P CB 0.408 32.072 31.700 -0.060 0.000 0.931 199 R N -0.164 120.265 120.500 -0.118 0.000 2.115 199 R HA 0.056 4.395 4.340 -0.001 0.000 0.230 199 R C 0.566 176.709 176.300 -0.261 0.000 1.111 199 R CA 0.658 56.674 56.100 -0.141 0.000 0.976 199 R CB -0.338 29.904 30.300 -0.098 0.000 0.870 199 R HN 0.078 nan 8.270 nan 0.000 0.445 200 V N 2.080 121.795 119.914 -0.332 0.000 2.394 200 V HA 0.130 4.250 4.120 -0.001 0.000 0.282 200 V C -0.285 175.469 176.094 -0.568 0.000 1.031 200 V CA -0.423 61.525 62.300 -0.586 0.000 0.881 200 V CB 1.486 32.890 31.823 -0.698 0.000 0.982 200 V HN 0.192 nan 8.190 nan 0.000 0.451 201 Q N 3.693 123.109 119.800 -0.641 0.000 2.400 201 Q HA 0.348 4.687 4.340 -0.001 0.000 0.255 201 Q C -0.391 175.265 176.000 -0.574 0.000 1.008 201 Q CA -0.448 55.080 55.803 -0.459 0.000 0.841 201 Q CB 1.199 29.743 28.738 -0.324 0.000 1.220 201 Q HN 0.754 nan 8.270 nan 0.000 0.474 202 Y N 0.630 120.706 120.300 -0.374 0.000 2.373 202 Y HA -0.223 4.326 4.550 -0.001 0.000 0.293 202 Y C 2.584 178.244 175.900 -0.399 0.000 1.129 202 Y CA 1.501 59.325 58.100 -0.460 0.000 1.226 202 Y CB 0.292 38.541 38.460 -0.352 0.000 1.000 202 Y HN 0.646 nan 8.280 nan 0.000 0.549 203 S N -0.254 115.356 115.700 -0.149 0.000 2.368 203 S HA -0.189 4.280 4.470 -0.001 0.000 0.224 203 S C 2.038 176.537 174.600 -0.169 0.000 1.029 203 S CA 1.159 59.272 58.200 -0.145 0.000 0.988 203 S CB -0.936 62.203 63.200 -0.101 0.000 0.838 203 S HN 0.362 nan 8.310 nan 0.000 0.462 204 L N 1.537 122.647 121.223 -0.188 0.000 1.989 204 L HA 0.073 4.412 4.340 -0.001 0.000 0.211 204 L C 2.442 179.213 176.870 -0.165 0.000 1.071 204 L CA 1.637 56.390 54.840 -0.145 0.000 0.749 204 L CB -0.828 41.144 42.059 -0.146 0.000 0.890 204 L HN 0.391 nan 8.230 nan 0.000 0.431 205 L N -0.605 120.395 121.223 -0.371 0.000 2.013 205 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 205 L C 2.616 179.320 176.870 -0.276 0.000 1.073 205 L CA 1.510 56.076 54.840 -0.457 0.000 0.753 205 L CB -0.770 40.674 42.059 -1.024 0.000 0.890 205 L HN 0.456 nan 8.230 nan 0.000 0.432 206 A N -0.757 121.876 122.820 -0.310 0.000 2.019 206 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 206 A C 1.828 179.417 177.584 0.008 0.000 1.164 206 A CA 1.914 53.914 52.037 -0.061 0.000 0.644 206 A CB -0.426 18.390 19.000 -0.307 0.000 0.805 206 A HN 0.396 nan 8.150 nan 0.000 0.449 207 D N -0.319 120.070 120.400 -0.019 0.000 2.224 207 D HA -0.056 4.584 4.640 -0.001 0.000 0.205 207 D C 1.755 178.131 176.300 0.127 0.000 0.965 207 D CA 1.566 55.590 54.000 0.040 0.000 0.852 207 D CB -0.098 40.713 40.800 0.018 0.000 0.947 207 D HN 0.756 nan 8.370 nan 0.000 0.494 208 I N -3.066 117.607 120.570 0.172 0.000 4.035 208 I HA 0.223 4.392 4.170 -0.001 0.000 0.321 208 I C 0.075 176.432 176.117 0.400 0.000 1.289 208 I CA -0.135 61.333 61.300 0.281 0.000 1.236 208 I CB 0.513 38.701 38.000 0.313 0.000 1.076 208 I HN -0.226 nan 8.210 nan 0.000 0.418 209 c N 1.063 119.867 118.600 0.341 0.000 2.634 209 c HA 0.375 4.944 4.570 -0.001 0.000 0.313 209 c C 1.185 175.509 174.090 0.390 0.000 1.198 209 c CA -0.385 56.148 56.329 0.340 0.000 1.605 209 c CB 1.243 43.927 42.510 0.291 0.000 2.196 209 c HN 0.368 nan 8.230 nan 0.000 0.486 210 N N 0.475 119.354 118.700 0.300 0.000 2.416 210 N HA 0.210 4.949 4.740 -0.001 0.000 0.177 210 N C -0.130 175.450 175.510 0.117 0.000 1.036 210 N CA 0.699 53.882 53.050 0.222 0.000 0.901 210 N CB 0.084 38.703 38.487 0.221 0.000 0.976 210 N HN 0.698 nan 8.380 nan 0.000 0.444 211 L N -3.586 117.692 121.223 0.092 0.000 2.794 211 L HA 0.624 4.963 4.340 -0.001 0.000 0.261 211 L C -2.167 174.726 176.870 0.038 0.000 0.989 211 L CA -1.370 53.371 54.840 -0.166 0.000 0.900 211 L CB 0.906 42.936 42.059 -0.049 0.000 1.473 211 L HN -0.006 nan 8.230 nan 0.000 0.414 212 W N -0.002 121.373 121.300 0.125 0.000 3.129 212 W HA 0.716 5.375 4.660 -0.001 0.000 0.333 212 W C -1.070 175.521 176.519 0.121 0.000 1.141 212 W CA -0.972 56.421 57.345 0.081 0.000 1.224 212 W CB 1.007 30.502 29.460 0.058 0.000 1.393 212 W HN 0.399 nan 8.180 nan 0.000 0.499 213 R N 2.993 123.656 120.500 0.271 0.000 2.242 213 R HA 0.109 4.448 4.340 -0.001 0.000 0.334 213 R C 0.107 176.546 176.300 0.231 0.000 1.071 213 R CA -0.091 56.133 56.100 0.206 0.000 0.922 213 R CB 0.482 30.850 30.300 0.114 0.000 1.023 213 R HN 0.751 nan 8.270 nan 0.000 0.458 214 N N 1.375 120.271 118.700 0.326 0.000 2.300 214 N HA -0.087 4.652 4.740 -0.001 0.000 0.179 214 N C 0.010 175.472 175.510 -0.079 0.000 1.016 214 N CA 1.075 54.275 53.050 0.251 0.000 0.876 214 N CB 0.020 38.718 38.487 0.353 0.000 0.979 214 N HN 0.514 nan 8.380 nan 0.000 0.432 215 Y N 0.005 120.135 120.300 -0.282 0.000 2.974 215 Y HA 0.295 4.844 4.550 -0.001 0.000 0.310 215 Y C -1.138 174.591 175.900 -0.286 0.000 1.551 215 Y CA -1.627 56.140 58.100 -0.556 0.000 1.084 215 Y CB 0.596 38.550 38.460 -0.842 0.000 1.446 215 Y HN -0.198 nan 8.280 nan 0.000 0.472 216 D N 1.736 121.522 120.400 -1.023 0.000 2.449 216 D HA 0.074 4.713 4.640 -0.001 0.000 0.236 216 D C -0.966 175.198 176.300 -0.226 0.000 1.149 216 D CA 0.555 54.164 54.000 -0.653 0.000 0.878 216 D CB 0.332 40.654 40.800 -0.797 0.000 1.198 216 D HN 0.314 nan 8.370 nan 0.000 0.446 217 D N 0.897 121.224 120.400 -0.121 0.000 2.533 217 D HA -0.011 4.628 4.640 -0.001 0.000 0.236 217 D C 0.460 176.807 176.300 0.079 0.000 1.137 217 D CA 0.132 54.148 54.000 0.026 0.000 0.867 217 D CB 0.318 41.169 40.800 0.084 0.000 1.170 217 D HN 0.301 nan 8.370 nan 0.000 0.474 218 I N 2.255 122.906 120.570 0.136 0.000 2.634 218 I HA -0.060 4.109 4.170 -0.001 0.000 0.284 218 I C 0.110 176.314 176.117 0.145 0.000 1.124 218 I CA -0.022 61.369 61.300 0.152 0.000 1.417 218 I CB 0.287 38.387 38.000 0.167 0.000 1.396 218 I HN 0.160 nan 8.210 nan 0.000 0.571 219 Q N 4.820 124.707 119.800 0.144 0.000 2.378 219 Q HA 0.244 4.583 4.340 -0.001 0.000 0.276 219 Q C -1.020 175.048 176.000 0.113 0.000 1.083 219 Q CA -0.691 55.187 55.803 0.124 0.000 0.856 219 Q CB 1.172 29.992 28.738 0.138 0.000 1.383 219 Q HN 0.493 nan 8.270 nan 0.000 0.458 220 D N 1.468 121.922 120.400 0.089 0.000 2.600 220 D HA 0.145 4.784 4.640 -0.001 0.000 0.226 220 D C -0.921 175.460 176.300 0.135 0.000 1.119 220 D CA 0.216 54.273 54.000 0.094 0.000 1.051 220 D CB -0.340 40.517 40.800 0.095 0.000 1.106 220 D HN 0.500 nan 8.370 nan 0.000 0.491 221 S N 0.897 116.704 115.700 0.178 0.000 2.547 221 S HA 0.155 4.624 4.470 -0.001 0.000 0.270 221 S C 0.625 175.423 174.600 0.329 0.000 1.150 221 S CA -1.055 57.294 58.200 0.248 0.000 0.850 221 S CB 0.446 63.801 63.200 0.258 0.000 1.118 221 S HN 0.397 nan 8.310 nan 0.000 0.461 222 W N 1.447 122.834 121.300 0.145 0.000 2.363 222 W HA -0.118 4.541 4.660 -0.001 0.000 0.296 222 W C 1.420 178.056 176.519 0.195 0.000 1.212 222 W CA 1.144 58.572 57.345 0.139 0.000 1.260 222 W CB -0.176 29.360 29.460 0.126 0.000 1.131 222 W HN 0.920 nan 8.180 nan 0.000 0.530 223 W N 1.356 122.702 121.300 0.076 0.000 2.321 223 W HA -0.295 4.365 4.660 -0.001 0.000 0.306 223 W C 2.880 179.378 176.519 -0.036 0.000 1.217 223 W CA 3.031 60.363 57.345 -0.022 0.000 1.257 223 W CB -0.764 28.726 29.460 0.050 0.000 1.145 223 W HN -0.206 nan 8.180 nan 0.000 0.509 224 S N -0.472 115.408 115.700 0.300 0.000 2.355 224 S HA -0.199 4.270 4.470 -0.001 0.000 0.222 224 S C 1.807 176.391 174.600 -0.026 0.000 1.031 224 S CA 1.891 60.192 58.200 0.169 0.000 0.993 224 S CB -0.843 62.517 63.200 0.266 0.000 0.859 224 S HN 0.090 nan 8.310 nan 0.000 0.453 225 V N 2.348 122.228 119.914 -0.056 0.000 2.287 225 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 225 V C 2.441 178.389 176.094 -0.242 0.000 1.053 225 V CA 1.974 64.210 62.300 -0.107 0.000 1.027 225 V CB -0.771 30.941 31.823 -0.185 0.000 0.646 225 V HN 0.484 nan 8.190 nan 0.000 0.447 226 L N 0.690 121.590 121.223 -0.538 0.000 2.083 226 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 226 L C 2.748 179.426 176.870 -0.319 0.000 1.083 226 L CA 1.858 56.410 54.840 -0.479 0.000 0.752 226 L CB -0.714 40.981 42.059 -0.606 0.000 0.899 226 L HN 0.570 nan 8.230 nan 0.000 0.433 227 S N 0.125 115.560 115.700 -0.442 0.000 2.383 227 S HA -0.130 4.339 4.470 -0.001 0.000 0.227 227 S C 1.924 176.561 174.600 0.062 0.000 1.026 227 S CA 0.779 58.783 58.200 -0.327 0.000 0.981 227 S CB -0.428 62.361 63.200 -0.686 0.000 0.818 227 S HN 0.333 nan 8.310 nan 0.000 0.472 228 I N 1.264 121.925 120.570 0.152 0.000 2.163 228 I HA -0.124 4.045 4.170 -0.001 0.000 0.240 228 I C 2.533 178.815 176.117 0.276 0.000 1.081 228 I CA 1.188 62.694 61.300 0.345 0.000 1.353 228 I CB -0.413 37.795 38.000 0.347 0.000 1.054 228 I HN 0.276 nan 8.210 nan 0.000 0.407 229 L N 0.503 121.798 121.223 0.121 0.000 2.012 229 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 229 L C 2.372 179.322 176.870 0.134 0.000 1.073 229 L CA 1.887 56.778 54.840 0.085 0.000 0.748 229 L CB -0.760 41.321 42.059 0.037 0.000 0.891 229 L HN 0.356 nan 8.230 nan 0.000 0.431 230 N N -0.661 118.082 118.700 0.072 0.000 2.069 230 N HA -0.285 4.454 4.740 -0.001 0.000 0.191 230 N C 1.676 177.192 175.510 0.010 0.000 1.031 230 N CA 1.654 54.721 53.050 0.027 0.000 0.852 230 N CB -0.342 38.132 38.487 -0.022 0.000 1.018 230 N HN 0.345 nan 8.380 nan 0.000 0.423 231 W N -0.012 121.189 121.300 -0.165 0.000 2.355 231 W HA -0.032 4.628 4.660 -0.001 0.000 0.309 231 W C 1.692 178.105 176.519 -0.178 0.000 1.206 231 W CA 1.295 58.463 57.345 -0.294 0.000 1.284 231 W CB -0.607 28.321 29.460 -0.888 0.000 1.145 231 W HN 0.062 nan 8.180 nan 0.000 0.502 232 F N -0.569 119.397 119.950 0.028 0.000 2.171 232 F HA -0.238 4.288 4.527 -0.001 0.000 0.300 232 F C 2.204 177.908 175.800 -0.159 0.000 1.090 232 F CA 1.673 59.639 58.000 -0.058 0.000 1.293 232 F CB -0.873 38.119 39.000 -0.013 0.000 1.013 232 F HN -0.322 nan 8.300 nan 0.000 0.486 233 V N -0.454 119.482 119.914 0.036 0.000 2.379 233 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 233 V C 2.020 177.975 176.094 -0.233 0.000 1.044 233 V CA 1.700 63.968 62.300 -0.053 0.000 1.036 233 V CB -0.549 31.282 31.823 0.013 0.000 0.664 233 V HN 0.279 nan 8.190 nan 0.000 0.453 234 E N -0.500 119.470 120.200 -0.384 0.000 2.160 234 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 234 E C 1.391 177.506 176.600 -0.809 0.000 0.991 234 E CA 1.196 57.219 56.400 -0.629 0.000 0.810 234 E CB -0.070 29.117 29.700 -0.855 0.000 0.742 234 E HN 0.706 nan 8.360 nan 0.000 0.466 235 H N -0.186 118.582 119.070 -0.502 0.000 2.486 235 H HA 0.073 4.629 4.556 -0.001 0.000 0.284 235 H C 1.468 176.554 175.328 -0.403 0.000 1.103 235 H CA 0.175 55.895 56.048 -0.548 0.000 1.089 235 H CB 0.316 29.516 29.762 -0.938 0.000 1.603 235 H HN 0.353 nan 8.280 nan 0.000 0.557 236 Q N 0.412 120.082 119.800 -0.217 0.000 2.226 236 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 236 Q C 0.508 176.435 176.000 -0.123 0.000 0.975 236 Q CA 1.387 57.111 55.803 -0.133 0.000 0.866 236 Q CB 0.078 28.766 28.738 -0.082 0.000 0.915 236 Q HN 0.052 nan 8.270 nan 0.000 0.440 237 D N 1.038 121.357 120.400 -0.134 0.000 2.182 237 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 237 D C 1.807 178.036 176.300 -0.118 0.000 0.986 237 D CA 0.921 54.854 54.000 -0.112 0.000 0.847 237 D CB 0.064 40.800 40.800 -0.106 0.000 0.942 237 D HN 0.323 nan 8.370 nan 0.000 0.467 238 I N 0.019 120.497 120.570 -0.153 0.000 2.339 238 I HA -0.065 4.104 4.170 -0.001 0.000 0.245 238 I C 2.399 178.357 176.117 -0.265 0.000 1.096 238 I CA 0.609 61.796 61.300 -0.190 0.000 1.408 238 I CB -0.897 36.979 38.000 -0.206 0.000 1.092 238 I HN 0.026 nan 8.210 nan 0.000 0.423 239 L N -0.062 120.996 121.223 -0.275 0.000 2.131 239 L HA -0.101 4.239 4.340 -0.001 0.000 0.206 239 L C 2.602 179.412 176.870 -0.100 0.000 1.087 239 L CA 0.699 55.374 54.840 -0.276 0.000 0.767 239 L CB -0.694 41.224 42.059 -0.236 0.000 0.917 239 L HN 0.267 nan 8.230 nan 0.000 0.441 240 Q N 1.127 120.893 119.800 -0.056 0.000 2.061 240 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 240 Q C -0.456 175.552 176.000 0.013 0.000 0.984 240 Q CA 2.113 57.918 55.803 0.003 0.000 0.846 240 Q CB -1.174 27.561 28.738 -0.004 0.000 0.902 240 Q HN 0.318 nan 8.270 nan 0.000 0.421 241 P HA -0.076 nan 4.420 nan 0.000 0.223 241 P C 1.432 178.753 177.300 0.036 0.000 1.151 241 P CA 1.409 64.511 63.100 0.004 0.000 0.787 241 P CB -0.262 31.425 31.700 -0.022 0.000 0.788 242 V N -3.618 116.315 119.914 0.031 0.000 3.041 242 V HA 0.226 4.345 4.120 -0.001 0.000 0.260 242 V C 1.035 177.312 176.094 0.305 0.000 1.105 242 V CA 0.423 62.789 62.300 0.110 0.000 1.125 242 V CB -1.677 30.166 31.823 0.033 0.000 0.730 242 V HN -0.022 nan 8.190 nan 0.000 0.479 243 A N 0.194 123.145 122.820 0.218 0.000 2.388 243 A HA 0.770 5.090 4.320 -0.001 0.000 0.257 243 A C 0.500 178.043 177.584 -0.070 0.000 1.095 243 A CA 0.561 52.676 52.037 0.131 0.000 0.791 243 A CB 0.002 19.098 19.000 0.160 0.000 1.029 243 A HN 1.372 nan 8.150 nan 0.000 0.489 244 G N 0.900 109.289 108.800 -0.685 0.000 2.349 244 G HA2 0.517 4.477 3.960 -0.001 0.000 0.294 244 G HA3 0.517 4.477 3.960 -0.001 0.000 0.294 244 G C -3.513 170.335 174.900 -1.754 0.000 1.380 244 G CA -0.868 43.692 45.100 -0.900 0.000 0.811 244 G HN 0.424 nan 8.290 nan 0.000 0.519 245 P HA 0.252 nan 4.420 nan 0.000 0.258 245 P C 1.046 177.931 177.300 -0.692 0.000 1.172 245 P CA 2.317 65.075 63.100 -0.569 0.000 0.762 245 P CB 0.648 32.261 31.700 -0.145 0.000 0.764 246 G N 2.987 111.464 108.800 -0.538 0.000 2.176 246 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.253 246 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.253 246 G C -0.209 174.521 174.900 -0.283 0.000 0.979 246 G CA 0.310 45.269 45.100 -0.234 0.000 0.641 246 G HN 0.920 nan 8.290 nan 0.000 0.530 247 H N -3.555 115.058 119.070 -0.761 0.000 3.221 247 H HA 0.548 5.104 4.556 -0.001 0.000 0.324 247 H C -0.877 173.918 175.328 -0.888 0.000 1.212 247 H CA -1.693 54.058 56.048 -0.495 0.000 1.624 247 H CB -0.440 29.360 29.762 0.062 0.000 1.899 247 H HN 0.326 nan 8.280 nan 0.000 0.538 248 W N 1.730 122.685 121.300 -0.573 0.000 2.627 248 W HA 0.474 5.134 4.660 -0.001 0.000 0.339 248 W C -0.156 175.677 176.519 -1.143 0.000 1.058 248 W CA -0.912 56.061 57.345 -0.620 0.000 1.223 248 W CB 1.126 30.358 29.460 -0.380 0.000 1.389 248 W HN 0.404 nan 8.180 nan 0.000 0.541 249 N N 2.125 120.601 118.700 -0.372 0.000 2.518 249 N HA 0.012 4.751 4.740 -0.001 0.000 0.266 249 N C -1.055 174.360 175.510 -0.159 0.000 1.196 249 N CA 0.347 53.254 53.050 -0.239 0.000 0.947 249 N CB 0.909 39.557 38.487 0.268 0.000 1.098 249 N HN 0.391 nan 8.380 nan 0.000 0.450 250 D N 1.472 121.835 120.400 -0.061 0.000 2.440 250 D HA 0.267 4.906 4.640 -0.001 0.000 0.252 250 D C -2.094 174.232 176.300 0.043 0.000 1.180 250 D CA -1.941 52.028 54.000 -0.051 0.000 0.894 250 D CB 1.413 42.193 40.800 -0.032 0.000 1.111 250 D HN 0.209 nan 8.370 nan 0.000 0.544 251 P HA 0.155 nan 4.420 nan 0.000 0.253 251 P C -0.336 177.010 177.300 0.078 0.000 1.260 251 P CA 0.117 63.009 63.100 -0.347 0.000 0.800 251 P CB 0.328 31.186 31.700 -1.403 0.000 1.162 252 D N -1.626 118.872 120.400 0.163 0.000 8.377 252 D HA -0.107 4.533 4.640 -0.001 0.000 0.332 252 D C -0.236 176.281 176.300 0.361 0.000 2.717 252 D CA 0.013 54.160 54.000 0.245 0.000 2.017 252 D CB -1.000 39.932 40.800 0.221 0.000 1.168 252 D HN -0.117 nan 8.370 nan 0.000 1.135 253 M N 0.527 120.254 119.600 0.211 0.000 2.232 253 M HA 0.254 4.733 4.480 -0.001 0.000 0.321 253 M C 0.324 176.612 176.300 -0.021 0.000 1.101 253 M CA -0.073 55.290 55.300 0.106 0.000 1.181 253 M CB 0.257 32.880 32.600 0.038 0.000 1.432 253 M HN 0.220 nan 8.290 nan 0.000 0.457 254 L N 2.379 123.531 121.223 -0.119 0.000 2.426 254 L HA 0.073 4.412 4.340 -0.001 0.000 0.271 254 L C 0.754 177.504 176.870 -0.200 0.000 1.169 254 L CA -0.062 54.612 54.840 -0.277 0.000 0.836 254 L CB 0.297 42.240 42.059 -0.193 0.000 1.112 254 L HN 0.727 nan 8.230 nan 0.000 0.465 255 L N 3.529 124.618 121.223 -0.223 0.000 2.640 255 L HA 0.241 4.581 4.340 -0.001 0.000 0.230 255 L C 0.476 177.261 176.870 -0.141 0.000 1.123 255 L CA -0.221 54.530 54.840 -0.148 0.000 0.900 255 L CB 0.145 42.143 42.059 -0.102 0.000 1.146 255 L HN 0.516 nan 8.230 nan 0.000 0.484 256 I N 0.964 121.449 120.570 -0.142 0.000 2.668 256 I HA 0.044 4.214 4.170 -0.001 0.000 0.285 256 I C 1.397 177.446 176.117 -0.114 0.000 1.168 256 I CA 1.101 62.336 61.300 -0.109 0.000 1.424 256 I CB 0.319 38.277 38.000 -0.069 0.000 1.377 256 I HN 0.312 nan 8.210 nan 0.000 0.560 257 G N 3.452 112.175 108.800 -0.129 0.000 2.201 257 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.212 257 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.212 257 G C 0.387 175.105 174.900 -0.302 0.000 0.994 257 G CA -0.300 44.704 45.100 -0.159 0.000 0.644 257 G HN 0.537 nan 8.290 nan 0.000 0.508 258 N N -0.569 117.928 118.700 -0.337 0.000 2.718 258 N HA 0.694 5.434 4.740 -0.001 0.000 0.298 258 N C 0.935 176.080 175.510 -0.607 0.000 1.369 258 N CA 0.078 52.773 53.050 -0.591 0.000 0.839 258 N CB -0.236 38.048 38.487 -0.338 0.000 1.108 258 N HN 0.035 nan 8.380 nan 0.000 0.489 259 F N -0.681 119.232 119.950 -0.060 0.000 2.653 259 F HA 0.367 4.894 4.527 -0.001 0.000 0.288 259 F C 2.158 177.945 175.800 -0.023 0.000 1.121 259 F CA -0.049 57.924 58.000 -0.044 0.000 1.384 259 F CB -0.365 38.603 39.000 -0.053 0.000 1.115 259 F HN 0.452 nan 8.300 nan 0.000 0.599 260 G N 0.627 109.519 108.800 0.153 0.000 2.494 260 G HA2 0.134 4.093 3.960 -0.001 0.000 0.216 260 G HA3 0.134 4.093 3.960 -0.001 0.000 0.216 260 G C 0.644 175.603 174.900 0.098 0.000 1.140 260 G CA 0.093 45.273 45.100 0.132 0.000 0.801 260 G HN 0.053 nan 8.290 nan 0.000 0.536 261 L N 2.157 123.407 121.223 0.046 0.000 2.307 261 L HA 0.371 4.710 4.340 -0.001 0.000 0.282 261 L C 0.877 177.706 176.870 -0.068 0.000 1.051 261 L CA -0.706 54.132 54.840 -0.002 0.000 0.804 261 L CB 1.741 43.794 42.059 -0.010 0.000 1.197 261 L HN 0.206 nan 8.230 nan 0.000 0.431 262 S N 2.075 117.698 115.700 -0.129 0.000 2.617 262 S HA 0.086 4.555 4.470 -0.001 0.000 0.259 262 S C 0.922 175.428 174.600 -0.157 0.000 1.301 262 S CA -0.560 57.557 58.200 -0.138 0.000 0.984 262 S CB 0.903 64.000 63.200 -0.171 0.000 0.954 262 S HN 0.569 nan 8.310 nan 0.000 0.572 263 L N 0.831 121.973 121.223 -0.136 0.000 2.012 263 L HA -0.065 4.274 4.340 -0.001 0.000 0.210 263 L C 2.556 179.316 176.870 -0.183 0.000 1.073 263 L CA 1.989 56.744 54.840 -0.141 0.000 0.748 263 L CB -1.257 40.733 42.059 -0.116 0.000 0.891 263 L HN 0.767 nan 8.230 nan 0.000 0.431 264 E N -0.358 119.725 120.200 -0.195 0.000 2.077 264 E HA -0.259 4.090 4.350 -0.001 0.000 0.193 264 E C 2.195 178.639 176.600 -0.260 0.000 0.989 264 E CA 1.559 57.836 56.400 -0.205 0.000 0.800 264 E CB -0.265 29.328 29.700 -0.178 0.000 0.746 264 E HN 0.692 nan 8.360 nan 0.000 0.452 265 Q N 0.170 119.727 119.800 -0.405 0.000 2.167 265 Q HA -0.052 4.287 4.340 -0.001 0.000 0.202 265 Q C 2.309 178.176 176.000 -0.220 0.000 0.970 265 Q CA 1.278 56.721 55.803 -0.600 0.000 0.855 265 Q CB 0.035 28.260 28.738 -0.855 0.000 0.911 265 Q HN 0.067 nan 8.270 nan 0.000 0.438 266 S N 0.477 116.073 115.700 -0.172 0.000 2.355 266 S HA -0.099 4.370 4.470 -0.001 0.000 0.222 266 S C 1.768 176.318 174.600 -0.083 0.000 1.031 266 S CA 0.948 59.081 58.200 -0.110 0.000 0.993 266 S CB -0.116 63.020 63.200 -0.107 0.000 0.859 266 S HN 0.303 nan 8.310 nan 0.000 0.453 267 R N 1.135 121.553 120.500 -0.136 0.000 2.120 267 R HA -0.024 4.315 4.340 -0.001 0.000 0.234 267 R C 2.498 178.829 176.300 0.051 0.000 1.123 267 R CA 1.186 57.200 56.100 -0.144 0.000 0.975 267 R CB -0.446 29.512 30.300 -0.570 0.000 0.866 267 R HN 0.406 nan 8.270 nan 0.000 0.446 268 A N 0.797 123.620 122.820 0.004 0.000 1.873 268 A HA -0.220 4.099 4.320 -0.001 0.000 0.215 268 A C 2.089 179.675 177.584 0.004 0.000 1.186 268 A CA 1.174 53.236 52.037 0.042 0.000 0.616 268 A CB -0.487 18.593 19.000 0.135 0.000 0.823 268 A HN 0.324 nan 8.150 nan 0.000 0.442 269 Q N -1.460 118.340 119.800 0.000 0.000 2.084 269 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 269 Q C 2.082 178.006 176.000 -0.127 0.000 0.978 269 Q CA 2.016 57.714 55.803 -0.176 0.000 0.844 269 Q CB -0.200 28.293 28.738 -0.409 0.000 0.898 269 Q HN 0.590 nan 8.270 nan 0.000 0.426 270 M N 0.265 119.840 119.600 -0.041 0.000 2.065 270 M HA -0.173 4.306 4.480 -0.001 0.000 0.259 270 M C 1.950 178.310 176.300 0.100 0.000 1.069 270 M CA 2.152 57.484 55.300 0.054 0.000 1.110 270 M CB -0.513 32.174 32.600 0.145 0.000 1.328 270 M HN 0.250 nan 8.290 nan 0.000 0.405 271 A N -0.418 122.471 122.820 0.114 0.000 1.902 271 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 271 A C 2.151 179.729 177.584 -0.010 0.000 1.181 271 A CA 1.812 53.884 52.037 0.058 0.000 0.623 271 A CB -1.059 18.008 19.000 0.113 0.000 0.818 271 A HN 0.582 nan 8.150 nan 0.000 0.443 272 L N -2.430 118.770 121.223 -0.038 0.000 2.095 272 L HA -0.129 4.210 4.340 -0.001 0.000 0.204 272 L C 2.642 179.528 176.870 0.028 0.000 1.080 272 L CA 0.758 55.511 54.840 -0.146 0.000 0.759 272 L CB -0.462 41.428 42.059 -0.281 0.000 0.914 272 L HN 0.592 nan 8.230 nan 0.000 0.439 273 W N 0.466 121.641 121.300 -0.208 0.000 2.342 273 W HA -0.216 4.443 4.660 -0.002 0.000 0.297 273 W C 2.494 178.920 176.519 -0.155 0.000 1.213 273 W CA 1.316 58.552 57.345 -0.181 0.000 1.251 273 W CB -0.335 29.046 29.460 -0.133 0.000 1.136 273 W HN 0.179 nan 8.180 nan 0.000 0.526 274 T N 0.680 115.292 114.554 0.097 0.000 2.746 274 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 274 T C 1.826 176.510 174.700 -0.027 0.000 1.039 274 T CA 2.054 64.158 62.100 0.008 0.000 1.142 274 T CB -0.635 68.237 68.868 0.007 0.000 0.866 274 T HN 0.128 nan 8.240 nan 0.000 0.444 275 V N -0.080 119.813 119.914 -0.035 0.000 2.809 275 V HA 0.120 4.239 4.120 -0.001 0.000 0.256 275 V C 1.953 178.033 176.094 -0.023 0.000 1.080 275 V CA 1.289 63.579 62.300 -0.016 0.000 1.102 275 V CB -1.042 30.779 31.823 -0.004 0.000 0.705 275 V HN 0.417 nan 8.190 nan 0.000 0.475 276 L N 0.914 122.079 121.223 -0.097 0.000 2.612 276 L HA 0.510 4.849 4.340 -0.001 0.000 0.230 276 L C 1.640 178.447 176.870 -0.105 0.000 1.140 276 L CA 0.413 55.178 54.840 -0.125 0.000 0.896 276 L CB -0.672 41.194 42.059 -0.322 0.000 1.065 276 L HN 0.476 nan 8.230 nan 0.000 0.447 277 A N 0.487 123.252 122.820 -0.092 0.000 2.704 277 A HA -0.166 4.153 4.320 -0.001 0.000 0.299 277 A C 0.796 178.231 177.584 -0.247 0.000 1.507 277 A CA 0.572 52.526 52.037 -0.138 0.000 0.776 277 A CB -1.870 17.154 19.000 0.041 0.000 1.027 277 A HN 0.456 nan 8.150 nan 0.000 0.475 278 A N -0.187 122.474 122.820 -0.265 0.000 2.322 278 A HA 0.682 5.002 4.320 -0.001 0.000 0.269 278 A C -1.737 175.692 177.584 -0.257 0.000 1.094 278 A CA -1.313 50.541 52.037 -0.304 0.000 0.807 278 A CB 0.009 18.726 19.000 -0.471 0.000 1.047 278 A HN 0.394 nan 8.150 nan 0.000 0.487 279 P HA 0.124 nan 4.420 nan 0.000 0.266 279 P C -0.804 176.510 177.300 0.025 0.000 1.195 279 P CA 0.396 63.407 63.100 -0.148 0.000 0.768 279 P CB 0.254 31.904 31.700 -0.084 0.000 0.838 280 L N 3.837 125.069 121.223 0.016 0.000 2.475 280 L HA 0.292 4.631 4.340 -0.001 0.000 0.253 280 L C -0.080 176.912 176.870 0.203 0.000 1.137 280 L CA -0.116 54.801 54.840 0.129 0.000 1.058 280 L CB -0.421 41.685 42.059 0.077 0.000 1.382 280 L HN 0.211 nan 8.230 nan 0.000 0.416 281 L N 2.860 124.179 121.223 0.161 0.000 2.272 281 L HA 0.421 4.761 4.340 -0.001 0.000 0.284 281 L C 0.357 177.264 176.870 0.063 0.000 1.045 281 L CA -0.220 54.702 54.840 0.138 0.000 0.842 281 L CB 0.995 43.108 42.059 0.090 0.000 1.224 281 L HN 0.535 nan 8.230 nan 0.000 0.430 282 M N 1.581 121.217 119.600 0.060 0.000 2.207 282 M HA 0.101 4.580 4.480 -0.001 0.000 0.311 282 M C 0.464 176.604 176.300 -0.267 0.000 1.127 282 M CA 0.635 55.888 55.300 -0.078 0.000 1.181 282 M CB 0.769 33.301 32.600 -0.112 0.000 1.409 282 M HN 0.472 nan 8.290 nan 0.000 0.461 283 S N 0.674 116.198 115.700 -0.294 0.000 2.397 283 S HA 0.401 4.870 4.470 -0.001 0.000 0.190 283 S C -1.007 173.457 174.600 -0.227 0.000 1.100 283 S CA -0.466 57.456 58.200 -0.465 0.000 1.150 283 S CB 0.720 63.714 63.200 -0.343 0.000 1.302 283 S HN 0.848 nan 8.310 nan 0.000 0.417 284 T N 1.591 116.155 114.554 0.017 0.000 2.786 284 T HA 0.335 4.685 4.350 -0.001 0.000 0.316 284 T C -2.181 172.710 174.700 0.318 0.000 1.503 284 T CA -0.459 61.662 62.100 0.035 0.000 1.019 284 T CB 1.719 70.543 68.868 -0.073 0.000 1.415 284 T HN 0.361 nan 8.240 nan 0.000 0.496 285 D N 2.746 123.230 120.400 0.140 0.000 2.359 285 D HA 0.204 4.844 4.640 -0.001 0.000 0.250 285 D C 1.528 177.887 176.300 0.100 0.000 1.264 285 D CA -0.138 54.016 54.000 0.257 0.000 0.911 285 D CB 0.230 41.155 40.800 0.208 0.000 1.056 285 D HN 0.487 nan 8.370 nan 0.000 0.499 286 L N 3.214 124.454 121.223 0.028 0.000 2.362 286 L HA -0.067 4.272 4.340 -0.001 0.000 0.219 286 L C 2.226 179.106 176.870 0.017 0.000 1.134 286 L CA 0.573 55.377 54.840 -0.061 0.000 0.807 286 L CB -0.100 41.782 42.059 -0.296 0.000 0.927 286 L HN 0.246 nan 8.230 nan 0.000 0.447 287 R N -0.273 120.231 120.500 0.007 0.000 2.148 287 R HA -0.063 4.277 4.340 -0.001 0.000 0.223 287 R C 1.814 178.135 176.300 0.035 0.000 1.088 287 R CA 1.665 57.775 56.100 0.016 0.000 0.985 287 R CB -0.194 30.107 30.300 0.001 0.000 0.880 287 R HN 0.429 nan 8.270 nan 0.000 0.451 288 T N -2.695 111.884 114.554 0.040 0.000 3.043 288 T HA 0.258 4.607 4.350 -0.001 0.000 0.272 288 T C 0.630 175.344 174.700 0.022 0.000 0.990 288 T CA -0.489 61.629 62.100 0.030 0.000 0.897 288 T CB 0.104 68.988 68.868 0.027 0.000 1.111 288 T HN 0.060 nan 8.240 nan 0.000 0.529 289 I N 4.381 124.976 120.570 0.041 0.000 2.826 289 I HA 0.099 4.268 4.170 -0.001 0.000 0.295 289 I C 0.711 176.855 176.117 0.046 0.000 1.213 289 I CA -0.069 61.258 61.300 0.046 0.000 1.436 289 I CB 0.601 38.670 38.000 0.115 0.000 1.348 289 I HN 0.495 nan 8.210 nan 0.000 0.570 290 S N 5.999 121.709 115.700 0.016 0.000 2.593 290 S HA 0.280 4.749 4.470 -0.001 0.000 0.269 290 S C 1.185 175.797 174.600 0.020 0.000 1.334 290 S CA -0.208 57.997 58.200 0.009 0.000 1.015 290 S CB 1.648 64.841 63.200 -0.012 0.000 0.912 290 S HN 0.825 nan 8.310 nan 0.000 0.541 291 A N 1.200 124.023 122.820 0.005 0.000 1.908 291 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 291 A C 2.316 179.898 177.584 -0.003 0.000 1.181 291 A CA 1.924 53.958 52.037 -0.005 0.000 0.627 291 A CB -1.227 17.765 19.000 -0.014 0.000 0.818 291 A HN 0.959 nan 8.150 nan 0.000 0.445 292 Q N -0.591 119.206 119.800 -0.005 0.000 2.084 292 Q HA -0.195 4.145 4.340 -0.001 0.000 0.202 292 Q C 1.794 177.795 176.000 0.002 0.000 0.978 292 Q CA 1.719 57.516 55.803 -0.009 0.000 0.844 292 Q CB -0.110 28.614 28.738 -0.024 0.000 0.898 292 Q HN 0.677 nan 8.270 nan 0.000 0.426 293 N N 0.006 118.711 118.700 0.009 0.000 2.216 293 N HA -0.135 4.605 4.740 -0.001 0.000 0.183 293 N C 1.620 177.188 175.510 0.097 0.000 1.017 293 N CA 1.034 54.103 53.050 0.032 0.000 0.861 293 N CB -0.214 38.278 38.487 0.009 0.000 0.986 293 N HN 0.339 nan 8.380 nan 0.000 0.428 294 M N 0.970 120.632 119.600 0.102 0.000 2.117 294 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 294 M C 0.743 177.046 176.300 0.005 0.000 1.065 294 M CA 1.665 57.019 55.300 0.090 0.000 1.114 294 M CB 0.021 32.608 32.600 -0.020 0.000 1.361 294 M HN -0.109 nan 8.290 nan 0.000 0.408 295 D N 0.590 120.995 120.400 0.009 0.000 2.182 295 D HA -0.134 4.505 4.640 -0.001 0.000 0.201 295 D C 1.845 178.201 176.300 0.093 0.000 0.986 295 D CA 1.405 55.419 54.000 0.023 0.000 0.847 295 D CB -0.361 40.454 40.800 0.025 0.000 0.942 295 D HN 0.473 nan 8.370 nan 0.000 0.467 296 I N 0.188 120.830 120.570 0.120 0.000 2.133 296 I HA -0.233 3.937 4.170 -0.001 0.000 0.238 296 I C 2.291 178.532 176.117 0.206 0.000 1.074 296 I CA 0.821 62.242 61.300 0.201 0.000 1.342 296 I CB -0.198 37.885 38.000 0.138 0.000 1.053 296 I HN -0.043 nan 8.210 nan 0.000 0.404 297 L N -0.165 121.184 121.223 0.208 0.000 2.201 297 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 297 L C 1.844 178.928 176.870 0.356 0.000 1.105 297 L CA 1.124 56.150 54.840 0.309 0.000 0.775 297 L CB -0.347 41.938 42.059 0.376 0.000 0.913 297 L HN 0.318 nan 8.230 nan 0.000 0.440 298 Q N -0.476 119.423 119.800 0.165 0.000 2.204 298 Q HA 0.083 4.422 4.340 -0.001 0.000 0.209 298 Q C 0.100 176.132 176.000 0.052 0.000 0.861 298 Q CA -0.341 55.513 55.803 0.083 0.000 0.971 298 Q CB 0.143 28.776 28.738 -0.175 0.000 1.095 298 Q HN 0.271 nan 8.270 nan 0.000 0.486 299 N N 2.375 121.121 118.700 0.077 0.000 2.429 299 N HA -0.018 4.721 4.740 -0.001 0.000 0.271 299 N C -1.983 173.521 175.510 -0.009 0.000 1.272 299 N CA -1.073 51.993 53.050 0.027 0.000 0.921 299 N CB 1.148 39.646 38.487 0.018 0.000 1.128 299 N HN -0.004 nan 8.380 nan 0.000 0.481 300 P HA -0.129 nan 4.420 nan 0.000 0.216 300 P C 1.550 178.793 177.300 -0.095 0.000 1.153 300 P CA 0.503 63.571 63.100 -0.054 0.000 0.848 300 P CB 0.303 31.969 31.700 -0.057 0.000 0.787 301 L N -1.524 119.628 121.223 -0.118 0.000 2.109 301 L HA -0.019 4.320 4.340 -0.001 0.000 0.207 301 L C 2.330 179.095 176.870 -0.175 0.000 1.086 301 L CA 1.775 56.504 54.840 -0.186 0.000 0.760 301 L CB -1.318 40.630 42.059 -0.186 0.000 0.910 301 L HN -0.131 nan 8.230 nan 0.000 0.437 302 M N -0.441 119.077 119.600 -0.137 0.000 2.080 302 M HA -0.215 4.265 4.480 -0.001 0.000 0.260 302 M C 2.089 178.339 176.300 -0.083 0.000 1.068 302 M CA 2.003 57.235 55.300 -0.114 0.000 1.109 302 M CB -0.445 32.091 32.600 -0.106 0.000 1.342 302 M HN 0.281 nan 8.290 nan 0.000 0.405 303 I N -0.497 120.031 120.570 -0.070 0.000 2.226 303 I HA -0.325 3.845 4.170 -0.001 0.000 0.245 303 I C 2.448 178.502 176.117 -0.105 0.000 1.100 303 I CA 1.504 62.754 61.300 -0.083 0.000 1.374 303 I CB -0.669 37.288 38.000 -0.071 0.000 1.057 303 I HN 0.373 nan 8.210 nan 0.000 0.413 304 K N 1.605 121.933 120.400 -0.119 0.000 2.044 304 K HA -0.224 4.095 4.320 -0.001 0.000 0.210 304 K C 2.127 178.657 176.600 -0.116 0.000 1.049 304 K CA 1.827 58.035 56.287 -0.133 0.000 0.927 304 K CB -0.182 32.203 32.500 -0.191 0.000 0.713 304 K HN 0.250 nan 8.250 nan 0.000 0.443 305 I N 1.597 122.094 120.570 -0.121 0.000 2.179 305 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 305 I C 2.614 178.705 176.117 -0.042 0.000 1.088 305 I CA 1.326 62.595 61.300 -0.050 0.000 1.357 305 I CB -0.582 37.409 38.000 -0.015 0.000 1.051 305 I HN 0.402 nan 8.210 nan 0.000 0.409 306 N N 0.904 119.561 118.700 -0.072 0.000 2.104 306 N HA -0.218 4.522 4.740 -0.001 0.000 0.190 306 N C 1.434 176.856 175.510 -0.148 0.000 1.024 306 N CA 1.325 54.311 53.050 -0.107 0.000 0.853 306 N CB 0.066 38.484 38.487 -0.115 0.000 1.008 306 N HN 0.375 nan 8.380 nan 0.000 0.424 307 Q N 1.193 120.918 119.800 -0.124 0.000 2.282 307 Q HA 0.034 4.373 4.340 -0.001 0.000 0.205 307 Q C -0.693 175.277 176.000 -0.050 0.000 0.915 307 Q CA -0.081 55.653 55.803 -0.114 0.000 0.949 307 Q CB -0.661 28.015 28.738 -0.104 0.000 1.035 307 Q HN 0.395 nan 8.270 nan 0.000 0.484 308 D N 1.233 121.618 120.400 -0.024 0.000 2.493 308 D HA -0.035 4.604 4.640 -0.001 0.000 0.240 308 D C -1.462 174.876 176.300 0.062 0.000 1.142 308 D CA -1.128 52.889 54.000 0.029 0.000 0.872 308 D CB 1.160 41.996 40.800 0.060 0.000 1.173 308 D HN -0.070 nan 8.370 nan 0.000 0.467 309 P HA -0.111 nan 4.420 nan 0.000 0.219 309 P C 1.198 178.559 177.300 0.102 0.000 1.146 309 P CA 0.871 64.019 63.100 0.080 0.000 0.808 309 P CB 0.141 31.877 31.700 0.060 0.000 0.779 310 L N -2.095 119.187 121.223 0.099 0.000 2.201 310 L HA 0.036 4.375 4.340 -0.001 0.000 0.212 310 L C 1.581 178.527 176.870 0.127 0.000 1.105 310 L CA 0.975 55.874 54.840 0.097 0.000 0.775 310 L CB -1.456 40.656 42.059 0.088 0.000 0.913 310 L HN 0.114 nan 8.230 nan 0.000 0.440 311 G N 1.431 110.348 108.800 0.196 0.000 2.305 311 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.287 311 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.287 311 G C 0.118 175.176 174.900 0.263 0.000 1.036 311 G CA 0.041 45.358 45.100 0.363 0.000 0.887 311 G HN 0.357 nan 8.290 nan 0.000 0.505 312 I N 0.465 121.135 120.570 0.167 0.000 2.337 312 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 312 I C 0.952 177.147 176.117 0.129 0.000 1.046 312 I CA -0.419 60.955 61.300 0.123 0.000 1.324 312 I CB 1.196 39.249 38.000 0.088 0.000 1.409 312 I HN 0.334 nan 8.210 nan 0.000 0.494 313 Q N 4.705 124.585 119.800 0.133 0.000 2.330 313 Q HA 0.238 4.578 4.340 -0.001 0.000 0.279 313 Q C 0.452 176.499 176.000 0.078 0.000 1.024 313 Q CA -0.086 55.783 55.803 0.109 0.000 0.900 313 Q CB 1.031 29.837 28.738 0.114 0.000 1.221 313 Q HN 0.808 nan 8.270 nan 0.000 0.396 314 G N 3.158 112.001 108.800 0.072 0.000 2.588 314 G HA2 0.385 4.345 3.960 -0.001 0.000 0.278 314 G HA3 0.385 4.345 3.960 -0.001 0.000 0.278 314 G C -0.871 174.082 174.900 0.090 0.000 1.307 314 G CA -0.463 44.685 45.100 0.081 0.000 1.016 314 G HN 0.679 nan 8.290 nan 0.000 0.503 315 R N -1.094 119.459 120.500 0.088 0.000 2.698 315 R HA 0.315 4.654 4.340 -0.001 0.000 0.275 315 R C -0.514 175.742 176.300 -0.073 0.000 1.001 315 R CA -0.900 55.213 56.100 0.022 0.000 0.896 315 R CB 2.028 32.308 30.300 -0.033 0.000 1.218 315 R HN 0.522 nan 8.270 nan 0.000 0.462 316 R N 4.129 124.442 120.500 -0.312 0.000 2.316 316 R HA 0.114 4.453 4.340 -0.001 0.000 0.314 316 R C 0.790 176.893 176.300 -0.327 0.000 1.069 316 R CA 0.247 55.918 56.100 -0.715 0.000 0.959 316 R CB 0.368 30.145 30.300 -0.872 0.000 0.987 316 R HN 0.707 nan 8.270 nan 0.000 0.446 317 I N -0.175 120.259 120.570 -0.226 0.000 4.035 317 I HA 0.283 4.453 4.170 -0.001 0.000 0.321 317 I C 0.222 176.311 176.117 -0.046 0.000 1.289 317 I CA -0.023 61.217 61.300 -0.100 0.000 1.236 317 I CB 0.258 38.237 38.000 -0.035 0.000 1.076 317 I HN 0.421 nan 8.210 nan 0.000 0.418 318 H N 1.992 120.987 119.070 -0.125 0.000 2.974 318 H HA 0.533 5.089 4.556 -0.000 0.000 0.366 318 H C -1.562 173.718 175.328 -0.081 0.000 1.155 318 H CA -0.768 55.244 56.048 -0.059 0.000 1.186 318 H CB 2.756 32.537 29.762 0.031 0.000 1.799 318 H HN 0.033 nan 8.280 nan 0.000 0.541 319 K N 3.394 123.802 120.400 0.014 0.000 2.601 319 K HA 0.203 4.523 4.320 -0.001 0.000 0.249 319 K C -0.969 175.666 176.600 0.058 0.000 0.966 319 K CA -0.591 55.701 56.287 0.008 0.000 0.827 319 K CB 1.554 34.018 32.500 -0.061 0.000 1.178 319 K HN 0.576 nan 8.250 nan 0.000 0.437 320 E N 3.054 123.301 120.200 0.077 0.000 2.250 320 E HA 0.108 4.458 4.350 -0.001 0.000 0.269 320 E C 0.481 177.094 176.600 0.020 0.000 1.018 320 E CA -0.536 55.922 56.400 0.097 0.000 0.873 320 E CB 1.646 31.441 29.700 0.158 0.000 1.134 320 E HN 0.616 nan 8.360 nan 0.000 0.403 321 K N -0.404 120.013 120.400 0.029 0.000 2.280 321 K HA -0.109 4.211 4.320 -0.001 0.000 0.202 321 K C 1.501 178.084 176.600 -0.029 0.000 1.047 321 K CA 1.491 57.779 56.287 0.002 0.000 0.942 321 K CB -0.157 32.354 32.500 0.018 0.000 0.739 321 K HN 0.330 nan 8.250 nan 0.000 0.457 322 S N 1.331 117.007 115.700 -0.041 0.000 2.595 322 S HA 0.002 4.471 4.470 -0.001 0.000 0.235 322 S C 1.072 175.502 174.600 -0.283 0.000 0.974 322 S CA 0.624 58.721 58.200 -0.171 0.000 0.942 322 S CB -0.807 62.270 63.200 -0.204 0.000 0.766 322 S HN 0.496 nan 8.310 nan 0.000 0.536 323 L N -0.728 120.389 121.223 -0.177 0.000 4.560 323 L HA -0.124 4.215 4.340 -0.001 0.000 0.415 323 L C -0.622 176.101 176.870 -0.244 0.000 1.123 323 L CA -0.178 54.553 54.840 -0.182 0.000 0.991 323 L CB -1.948 40.009 42.059 -0.170 0.000 2.127 323 L HN 0.374 nan 8.230 nan 0.000 0.765 324 I N 1.321 121.734 120.570 -0.263 0.000 2.371 324 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 324 I C 0.973 176.987 176.117 -0.171 0.000 1.028 324 I CA 0.276 61.400 61.300 -0.293 0.000 1.345 324 I CB 1.040 38.743 38.000 -0.495 0.000 1.407 324 I HN 0.139 nan 8.210 nan 0.000 0.501 325 E N 4.776 124.931 120.200 -0.075 0.000 2.202 325 E HA 0.601 4.950 4.350 -0.001 0.000 0.272 325 E C -1.154 175.507 176.600 0.101 0.000 0.951 325 E CA -0.802 55.626 56.400 0.047 0.000 0.813 325 E CB 2.826 32.645 29.700 0.198 0.000 1.151 325 E HN 0.265 nan 8.360 nan 0.000 0.398 326 V N 3.068 123.009 119.914 0.045 0.000 2.444 326 V HA 0.302 4.421 4.120 -0.001 0.000 0.294 326 V C -1.165 174.896 176.094 -0.055 0.000 1.022 326 V CA -0.825 61.493 62.300 0.029 0.000 0.850 326 V CB 0.418 32.276 31.823 0.058 0.000 0.992 326 V HN 0.567 nan 8.190 nan 0.000 0.426 327 Y N 4.023 124.283 120.300 -0.067 0.000 2.420 327 Y HA 0.737 5.286 4.550 -0.002 0.000 0.334 327 Y C 0.237 176.093 175.900 -0.074 0.000 1.094 327 Y CA -0.900 57.172 58.100 -0.048 0.000 1.126 327 Y CB 1.935 40.373 38.460 -0.038 0.000 1.217 327 Y HN 0.447 nan 8.280 nan 0.000 0.462 328 M N 4.047 123.709 119.600 0.104 0.000 2.326 328 M HA 0.419 4.899 4.480 -0.001 0.000 0.292 328 M C -1.720 174.629 176.300 0.081 0.000 1.081 328 M CA -0.588 54.755 55.300 0.072 0.000 0.919 328 M CB 2.089 34.701 32.600 0.020 0.000 1.634 328 M HN 0.865 nan 8.290 nan 0.000 0.451 329 R N 5.863 126.420 120.500 0.096 0.000 2.437 329 R HA 0.664 5.004 4.340 -0.001 0.000 0.310 329 R C -2.733 173.632 176.300 0.107 0.000 0.955 329 R CA -1.353 54.803 56.100 0.093 0.000 0.851 329 R CB 1.940 32.294 30.300 0.090 0.000 1.161 329 R HN 0.325 nan 8.270 nan 0.000 0.446 330 P HA 0.203 nan 4.420 nan 0.000 0.275 330 P C -0.895 176.476 177.300 0.118 0.000 1.227 330 P CA -0.131 63.030 63.100 0.102 0.000 0.781 330 P CB 0.889 32.632 31.700 0.072 0.000 0.906 331 L N 0.617 121.924 121.223 0.139 0.000 2.257 331 L HA 0.542 4.882 4.340 -0.001 0.000 0.257 331 L C 0.620 177.572 176.870 0.137 0.000 1.033 331 L CA -1.072 53.859 54.840 0.152 0.000 0.835 331 L CB 1.647 43.839 42.059 0.221 0.000 1.398 331 L HN 0.304 nan 8.230 nan 0.000 0.429 332 S N -0.845 114.933 115.700 0.130 0.000 2.600 332 S HA 0.203 4.672 4.470 -0.001 0.000 0.265 332 S C 0.285 174.954 174.600 0.115 0.000 1.325 332 S CA -0.291 57.974 58.200 0.107 0.000 1.002 332 S CB 0.649 63.901 63.200 0.086 0.000 0.921 332 S HN 0.719 nan 8.310 nan 0.000 0.554 333 N N 0.324 119.077 118.700 0.089 0.000 2.754 333 N HA -0.158 4.582 4.740 -0.001 0.000 0.248 333 N C -0.302 175.265 175.510 0.094 0.000 1.093 333 N CA 1.058 54.156 53.050 0.080 0.000 0.699 333 N CB -1.520 37.012 38.487 0.075 0.000 1.016 333 N HN 0.812 nan 8.380 nan 0.000 0.552 334 K N -4.001 116.461 120.400 0.103 0.000 3.274 334 K HA -0.231 4.088 4.320 -0.001 0.000 0.300 334 K C 0.265 176.963 176.600 0.164 0.000 1.230 334 K CA 1.308 57.672 56.287 0.127 0.000 0.884 334 K CB -1.621 30.944 32.500 0.108 0.000 1.242 334 K HN 0.630 nan 8.250 nan 0.000 0.467 335 A N 0.067 122.973 122.820 0.143 0.000 2.271 335 A HA 0.751 5.070 4.320 -0.001 0.000 0.288 335 A C 0.143 177.812 177.584 0.142 0.000 1.094 335 A CA -0.004 52.094 52.037 0.102 0.000 0.828 335 A CB 0.991 20.014 19.000 0.039 0.000 1.091 335 A HN 0.125 nan 8.150 nan 0.000 0.493 336 S N -1.152 114.611 115.700 0.105 0.000 2.588 336 S HA 0.732 5.201 4.470 -0.001 0.000 0.275 336 S C -0.593 174.112 174.600 0.176 0.000 1.130 336 S CA -0.015 58.294 58.200 0.182 0.000 0.855 336 S CB 1.911 65.294 63.200 0.305 0.000 1.116 336 S HN 1.460 nan 8.310 nan 0.000 0.472 337 A N 1.980 124.920 122.820 0.200 0.000 2.318 337 A HA 0.821 5.141 4.320 -0.001 0.000 0.324 337 A C -1.104 176.557 177.584 0.128 0.000 1.170 337 A CA -0.528 51.627 52.037 0.196 0.000 0.810 337 A CB 0.311 19.419 19.000 0.180 0.000 1.198 337 A HN 0.735 nan 8.150 nan 0.000 0.484 338 L N 2.796 124.067 121.223 0.080 0.000 2.341 338 L HA 0.547 4.887 4.340 -0.001 0.000 0.278 338 L C -0.934 175.784 176.870 -0.254 0.000 1.005 338 L CA -0.855 53.900 54.840 -0.142 0.000 0.818 338 L CB 2.067 43.940 42.059 -0.311 0.000 1.259 338 L HN 0.425 nan 8.230 nan 0.000 0.418 339 V N 3.640 123.402 119.914 -0.254 0.000 2.350 339 V HA 0.356 4.476 4.120 -0.001 0.000 0.285 339 V C -0.534 175.442 176.094 -0.196 0.000 1.014 339 V CA -0.426 61.787 62.300 -0.145 0.000 0.831 339 V CB 1.199 33.003 31.823 -0.031 0.000 1.000 339 V HN 0.367 nan 8.190 nan 0.000 0.433 340 F N 5.494 125.494 119.950 0.083 0.000 2.390 340 F HA 0.478 5.006 4.527 0.001 0.000 0.361 340 F C -0.165 175.735 175.800 0.167 0.000 1.124 340 F CA -0.469 57.556 58.000 0.042 0.000 1.149 340 F CB 0.606 39.566 39.000 -0.068 0.000 1.160 340 F HN 0.426 nan 8.300 nan 0.000 0.501 341 F N 2.866 122.899 119.950 0.138 0.000 2.449 341 F HA 0.478 5.004 4.527 -0.002 0.000 0.342 341 F C -0.141 175.708 175.800 0.081 0.000 1.127 341 F CA -0.727 57.354 58.000 0.136 0.000 0.975 341 F CB 1.111 40.223 39.000 0.187 0.000 1.146 341 F HN 0.346 nan 8.300 nan 0.000 0.444 342 S N 5.434 121.005 115.700 -0.216 0.000 2.422 342 S HA 0.241 4.710 4.470 -0.001 0.000 0.298 342 S C 0.225 174.469 174.600 -0.594 0.000 1.118 342 S CA -0.652 57.340 58.200 -0.347 0.000 1.083 342 S CB 0.483 63.609 63.200 -0.122 0.000 0.971 342 S HN 0.884 nan 8.310 nan 0.000 0.478 343 C N 5.486 124.459 119.300 -0.544 0.000 2.673 343 C HA 0.301 4.760 4.460 -0.001 0.000 0.274 343 C C 1.258 176.157 174.990 -0.152 0.000 1.276 343 C CA -0.475 58.331 59.018 -0.353 0.000 1.701 343 C CB -1.867 25.700 27.740 -0.289 0.000 1.836 343 C HN 0.752 nan 8.230 nan 0.000 0.596 344 R N 1.211 121.615 120.500 -0.160 0.000 2.641 344 R HA 0.261 4.600 4.340 -0.001 0.000 0.269 344 R C 0.857 177.141 176.300 -0.028 0.000 1.074 344 R CA 0.673 56.717 56.100 -0.093 0.000 1.133 344 R CB 0.218 30.449 30.300 -0.115 0.000 1.029 344 R HN 0.429 nan 8.270 nan 0.000 0.488 345 T N -2.925 111.629 114.554 -0.001 0.000 3.380 345 T HA 0.078 4.427 4.350 -0.001 0.000 0.289 345 T C 0.037 174.750 174.700 0.021 0.000 1.012 345 T CA -0.526 61.587 62.100 0.023 0.000 0.944 345 T CB -0.057 68.841 68.868 0.050 0.000 1.172 345 T HN 0.657 nan 8.240 nan 0.000 0.502 346 D N 1.791 122.202 120.400 0.019 0.000 3.154 346 D HA 0.293 4.932 4.640 -0.001 0.000 0.278 346 D C 0.770 177.089 176.300 0.031 0.000 1.460 346 D CA 0.238 54.255 54.000 0.028 0.000 1.114 346 D CB 0.102 40.925 40.800 0.038 0.000 1.151 346 D HN 0.615 nan 8.370 nan 0.000 0.376 347 M N -2.475 117.152 119.600 0.046 0.000 2.949 347 M HA 0.577 5.056 4.480 -0.001 0.000 0.270 347 M C -3.046 173.297 176.300 0.071 0.000 1.221 347 M CA -1.786 53.542 55.300 0.047 0.000 0.818 347 M CB 2.028 34.656 32.600 0.046 0.000 1.635 347 M HN -0.382 nan 8.290 nan 0.000 0.492 348 P HA 0.070 nan 4.420 nan 0.000 0.265 348 P C -1.948 175.427 177.300 0.124 0.000 1.187 348 P CA 0.549 63.694 63.100 0.075 0.000 0.766 348 P CB 0.003 31.727 31.700 0.039 0.000 0.820 349 Y N 2.404 122.702 120.300 -0.004 0.000 2.376 349 Y HA 0.401 4.952 4.550 0.001 0.000 0.340 349 Y C 0.279 176.165 175.900 -0.024 0.000 0.965 349 Y CA -0.975 57.122 58.100 -0.005 0.000 1.078 349 Y CB 1.555 40.016 38.460 0.003 0.000 1.193 349 Y HN 0.182 nan 8.280 nan 0.000 0.452 350 R N 5.473 125.644 120.500 -0.549 0.000 2.248 350 R HA 0.093 4.432 4.340 -0.001 0.000 0.337 350 R C -1.578 174.275 176.300 -0.746 0.000 1.106 350 R CA -0.398 55.385 56.100 -0.529 0.000 0.959 350 R CB 0.098 30.113 30.300 -0.476 0.000 1.075 350 R HN 0.577 nan 8.270 nan 0.000 0.480 351 Y N 4.312 124.349 120.300 -0.438 0.000 2.383 351 Y HA 0.123 4.673 4.550 0.001 0.000 0.344 351 Y C -0.358 175.293 175.900 -0.414 0.000 0.986 351 Y CA -0.630 57.329 58.100 -0.234 0.000 1.175 351 Y CB 0.386 38.852 38.460 0.009 0.000 1.152 351 Y HN 0.456 nan 8.280 nan 0.000 0.511 352 H N 4.624 123.352 119.070 -0.570 0.000 2.517 352 H HA 0.474 5.029 4.556 -0.002 0.000 0.317 352 H C -0.359 174.420 175.328 -0.915 0.000 1.080 352 H CA -0.316 55.371 56.048 -0.602 0.000 1.301 352 H CB 1.887 31.431 29.762 -0.363 0.000 1.425 352 H HN 0.672 nan 8.280 nan 0.000 0.471 353 S N 1.590 116.736 115.700 -0.923 0.000 2.757 353 S HA 0.614 5.084 4.470 -0.001 0.000 0.285 353 S C -1.184 172.735 174.600 -1.135 0.000 1.196 353 S CA -0.395 57.227 58.200 -0.964 0.000 0.856 353 S CB 1.461 64.121 63.200 -0.899 0.000 1.212 353 S HN 0.782 nan 8.310 nan 0.000 0.516 354 S N 0.130 115.404 115.700 -0.709 0.000 2.570 354 S HA 0.511 4.980 4.470 -0.001 0.000 0.270 354 S C 0.427 175.085 174.600 0.098 0.000 1.149 354 S CA -0.823 57.190 58.200 -0.311 0.000 0.837 354 S CB 0.637 63.756 63.200 -0.134 0.000 1.124 354 S HN 0.587 nan 8.310 nan 0.000 0.465 355 L N 1.384 122.790 121.223 0.306 0.000 2.131 355 L HA 0.081 4.421 4.340 -0.001 0.000 0.210 355 L C 2.740 179.788 176.870 0.297 0.000 1.092 355 L CA 1.661 56.654 54.840 0.256 0.000 0.759 355 L CB -1.015 40.989 42.059 -0.093 0.000 0.903 355 L HN 1.010 nan 8.230 nan 0.000 0.435 356 G N -0.604 108.310 108.800 0.190 0.000 2.442 356 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.219 356 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.219 356 G C 1.490 176.466 174.900 0.126 0.000 1.141 356 G CA 0.410 45.604 45.100 0.156 0.000 0.763 356 G HN 0.421 nan 8.290 nan 0.000 0.554 357 Q N -0.552 119.298 119.800 0.083 0.000 2.369 357 Q HA 0.199 4.538 4.340 -0.001 0.000 0.206 357 Q C 1.567 177.617 176.000 0.082 0.000 0.963 357 Q CA 0.281 56.112 55.803 0.047 0.000 0.894 357 Q CB 0.033 28.738 28.738 -0.054 0.000 0.965 357 Q HN 0.433 nan 8.270 nan 0.000 0.475 358 L N 0.629 121.955 121.223 0.172 0.000 2.848 358 L HA 0.190 4.529 4.340 -0.001 0.000 0.240 358 L C -0.436 176.511 176.870 0.128 0.000 1.232 358 L CA -0.437 54.533 54.840 0.217 0.000 1.031 358 L CB 0.028 42.308 42.059 0.369 0.000 1.338 358 L HN 0.126 nan 8.230 nan 0.000 0.509 359 N N -0.143 118.619 118.700 0.104 0.000 2.735 359 N HA -0.213 4.527 4.740 -0.001 0.000 0.248 359 N C -0.513 174.931 175.510 -0.110 0.000 1.083 359 N CA 0.934 53.984 53.050 -0.000 0.000 0.703 359 N CB -1.564 36.895 38.487 -0.047 0.000 1.005 359 N HN 0.193 nan 8.380 nan 0.000 0.550 360 F N 0.266 120.243 119.950 0.044 0.000 2.371 360 F HA 0.294 4.821 4.527 0.001 0.000 0.329 360 F C 1.522 177.387 175.800 0.108 0.000 1.107 360 F CA -0.280 57.747 58.000 0.046 0.000 1.137 360 F CB 0.788 39.746 39.000 -0.071 0.000 1.214 360 F HN -0.185 nan 8.300 nan 0.000 0.536 361 T N 1.522 116.290 114.554 0.356 0.000 2.919 361 T HA 0.359 4.709 4.350 -0.001 0.000 0.302 361 T C 0.613 175.470 174.700 0.262 0.000 1.031 361 T CA -0.469 61.781 62.100 0.250 0.000 1.127 361 T CB 0.730 69.723 68.868 0.208 0.000 0.952 361 T HN 0.803 nan 8.240 nan 0.000 0.540 362 G N 0.721 109.622 108.800 0.168 0.000 2.667 362 G HA2 0.359 4.319 3.960 -0.001 0.000 0.250 362 G HA3 0.359 4.319 3.960 -0.001 0.000 0.250 362 G C 0.874 175.837 174.900 0.105 0.000 1.212 362 G CA -0.039 45.142 45.100 0.136 0.000 0.874 362 G HN 1.640 nan 8.290 nan 0.000 0.561 363 S N -2.652 113.097 115.700 0.081 0.000 2.378 363 S HA -0.286 4.184 4.470 -0.001 0.000 0.240 363 S C 0.593 175.197 174.600 0.007 0.000 1.229 363 S CA 1.254 59.479 58.200 0.042 0.000 1.607 363 S CB -2.097 61.120 63.200 0.028 0.000 2.074 363 S HN 1.351 nan 8.310 nan 0.000 0.620 364 V N 2.916 122.829 119.914 -0.002 0.000 2.555 364 V HA 0.451 4.570 4.120 -0.001 0.000 0.286 364 V C 0.750 176.715 176.094 -0.215 0.000 1.044 364 V CA 0.145 62.340 62.300 -0.175 0.000 1.026 364 V CB 0.766 32.391 31.823 -0.329 0.000 0.981 364 V HN 0.480 nan 8.190 nan 0.000 0.480 365 I N 5.345 125.761 120.570 -0.257 0.000 2.353 365 I HA 0.419 4.588 4.170 -0.001 0.000 0.293 365 I C -0.554 175.363 176.117 -0.332 0.000 0.992 365 I CA -0.235 60.964 61.300 -0.169 0.000 1.268 365 I CB 0.808 38.755 38.000 -0.089 0.000 1.387 365 I HN 0.484 nan 8.210 nan 0.000 0.478 366 Y N 3.636 123.859 120.300 -0.129 0.000 2.567 366 Y HA 0.580 5.129 4.550 -0.003 0.000 0.333 366 Y C 0.017 175.716 175.900 -0.335 0.000 1.106 366 Y CA -0.729 57.229 58.100 -0.237 0.000 1.157 366 Y CB 1.631 39.922 38.460 -0.281 0.000 1.277 366 Y HN 0.478 nan 8.280 nan 0.000 0.490 367 E N 0.748 120.705 120.200 -0.405 0.000 2.340 367 E HA 0.807 5.156 4.350 -0.001 0.000 0.273 367 E C -1.881 174.145 176.600 -0.957 0.000 0.891 367 E CA -1.003 55.026 56.400 -0.618 0.000 0.757 367 E CB 1.785 31.161 29.700 -0.539 0.000 1.231 367 E HN 0.718 nan 8.360 nan 0.000 0.439 368 A N 3.514 125.893 122.820 -0.736 0.000 2.371 368 A HA 0.433 4.752 4.320 -0.001 0.000 0.311 368 A C -1.219 176.076 177.584 -0.481 0.000 1.068 368 A CA -0.636 50.974 52.037 -0.711 0.000 0.744 368 A CB 1.748 20.055 19.000 -1.155 0.000 1.239 368 A HN 0.596 nan 8.150 nan 0.000 0.435 369 Q N 1.810 121.518 119.800 -0.153 0.000 2.307 369 Q HA 0.244 4.584 4.340 -0.001 0.000 0.262 369 Q C -1.035 174.953 176.000 -0.020 0.000 0.961 369 Q CA -0.637 55.148 55.803 -0.029 0.000 0.882 369 Q CB 1.193 30.042 28.738 0.185 0.000 1.264 369 Q HN 0.763 nan 8.270 nan 0.000 0.446 370 D N 3.684 124.054 120.400 -0.049 0.000 2.382 370 D HA -0.023 4.616 4.640 -0.001 0.000 0.259 370 D C 0.788 177.168 176.300 0.134 0.000 1.224 370 D CA 0.147 54.237 54.000 0.151 0.000 0.894 370 D CB 1.414 42.321 40.800 0.177 0.000 1.127 370 D HN 0.495 nan 8.370 nan 0.000 0.487 371 V N 5.062 125.051 119.914 0.125 0.000 2.407 371 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 371 V C 1.513 177.538 176.094 -0.115 0.000 1.055 371 V CA 1.373 63.642 62.300 -0.051 0.000 1.049 371 V CB -0.701 31.016 31.823 -0.176 0.000 0.662 371 V HN 0.611 nan 8.190 nan 0.000 0.455 372 Y N 0.561 120.930 120.300 0.116 0.000 2.347 372 Y HA -0.044 4.505 4.550 -0.002 0.000 0.294 372 Y C 2.763 178.704 175.900 0.067 0.000 1.117 372 Y CA 1.101 59.251 58.100 0.083 0.000 1.184 372 Y CB -0.377 38.134 38.460 0.086 0.000 1.047 372 Y HN 0.381 nan 8.280 nan 0.000 0.546 373 S N -1.861 113.972 115.700 0.222 0.000 2.486 373 S HA 0.280 4.749 4.470 -0.001 0.000 0.220 373 S C 1.980 176.634 174.600 0.089 0.000 1.011 373 S CA 0.604 58.888 58.200 0.141 0.000 0.921 373 S CB 0.031 63.309 63.200 0.130 0.000 0.785 373 S HN 0.549 nan 8.310 nan 0.000 0.517 374 G N 1.226 110.073 108.800 0.078 0.000 2.199 374 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.254 374 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.254 374 G C -0.369 174.548 174.900 0.027 0.000 0.982 374 G CA 0.171 45.298 45.100 0.045 0.000 0.632 374 G HN 0.564 nan 8.290 nan 0.000 0.529 375 D N 0.342 120.758 120.400 0.026 0.000 2.443 375 D HA 0.409 5.048 4.640 -0.001 0.000 0.239 375 D C 0.770 177.034 176.300 -0.061 0.000 1.136 375 D CA 0.445 54.441 54.000 -0.006 0.000 0.879 375 D CB 0.820 41.624 40.800 0.006 0.000 1.195 375 D HN 0.353 nan 8.370 nan 0.000 0.443 376 I N 2.498 123.023 120.570 -0.075 0.000 2.362 376 I HA 0.232 4.401 4.170 -0.001 0.000 0.289 376 I C -0.326 175.679 176.117 -0.186 0.000 0.994 376 I CA -0.753 60.473 61.300 -0.124 0.000 1.158 376 I CB 1.157 39.129 38.000 -0.047 0.000 1.315 376 I HN 0.073 nan 8.210 nan 0.000 0.451 377 I N 5.789 126.156 120.570 -0.339 0.000 2.330 377 I HA 0.337 4.506 4.170 -0.001 0.000 0.289 377 I C 0.234 176.154 176.117 -0.328 0.000 1.001 377 I CA 0.230 61.318 61.300 -0.354 0.000 1.193 377 I CB 1.512 39.174 38.000 -0.563 0.000 1.345 377 I HN 0.420 nan 8.210 nan 0.000 0.461 378 S N 3.696 119.278 115.700 -0.196 0.000 2.648 378 S HA 0.748 5.217 4.470 -0.001 0.000 0.305 378 S C 0.606 175.145 174.600 -0.102 0.000 1.094 378 S CA 0.018 58.125 58.200 -0.155 0.000 0.983 378 S CB 1.390 64.533 63.200 -0.096 0.000 1.101 378 S HN 1.182 nan 8.310 nan 0.000 0.514 379 G N 1.796 110.547 108.800 -0.081 0.000 2.272 379 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.280 379 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.280 379 G C -0.319 174.576 174.900 -0.009 0.000 1.067 379 G CA 0.300 45.377 45.100 -0.039 0.000 0.902 379 G HN 0.678 nan 8.290 nan 0.000 0.500 380 L N 0.633 121.852 121.223 -0.007 0.000 2.268 380 L HA 0.430 4.769 4.340 -0.001 0.000 0.289 380 L C 1.333 178.285 176.870 0.136 0.000 1.064 380 L CA -0.699 54.176 54.840 0.058 0.000 0.824 380 L CB 0.478 42.545 42.059 0.014 0.000 1.202 380 L HN 0.245 nan 8.230 nan 0.000 0.433 381 R N 1.372 121.947 120.500 0.125 0.000 2.546 381 R HA 0.179 4.518 4.340 -0.001 0.000 0.266 381 R C 0.284 176.686 176.300 0.169 0.000 1.086 381 R CA -1.035 55.154 56.100 0.148 0.000 1.160 381 R CB 0.871 31.227 30.300 0.093 0.000 1.138 381 R HN 0.431 nan 8.270 nan 0.000 0.567 382 D N 1.579 122.088 120.400 0.180 0.000 2.158 382 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 382 D C 1.172 177.543 176.300 0.118 0.000 0.995 382 D CA 1.691 55.789 54.000 0.164 0.000 0.846 382 D CB 0.117 41.020 40.800 0.172 0.000 0.941 382 D HN 0.504 nan 8.370 nan 0.000 0.456 383 E N -0.354 119.901 120.200 0.092 0.000 2.435 383 E HA 0.032 4.382 4.350 -0.001 0.000 0.195 383 E C 0.310 176.939 176.600 0.049 0.000 1.029 383 E CA 0.197 56.630 56.400 0.056 0.000 0.865 383 E CB -0.142 29.584 29.700 0.043 0.000 0.833 383 E HN 0.028 nan 8.360 nan 0.000 0.510 384 T N 2.692 117.297 114.554 0.086 0.000 2.784 384 T HA 0.070 4.419 4.350 -0.001 0.000 0.291 384 T C 0.119 174.877 174.700 0.096 0.000 0.942 384 T CA -0.391 61.768 62.100 0.099 0.000 1.161 384 T CB 0.037 68.987 68.868 0.136 0.000 0.885 384 T HN 0.046 nan 8.240 nan 0.000 0.534 385 N N 3.486 122.200 118.700 0.024 0.000 2.497 385 N HA 0.370 5.110 4.740 -0.001 0.000 0.268 385 N C -0.389 175.151 175.510 0.049 0.000 1.171 385 N CA -0.155 52.853 53.050 -0.070 0.000 0.948 385 N CB 0.430 38.865 38.487 -0.086 0.000 1.069 385 N HN 0.604 nan 8.380 nan 0.000 0.460 386 F N -1.504 118.457 119.950 0.019 0.000 2.620 386 F HA 0.692 5.216 4.527 -0.004 0.000 0.320 386 F C -0.297 175.489 175.800 -0.024 0.000 1.069 386 F CA -0.986 57.042 58.000 0.046 0.000 0.953 386 F CB 1.100 40.201 39.000 0.167 0.000 1.322 386 F HN 0.026 nan 8.300 nan 0.000 0.479 387 T N 2.123 116.840 114.554 0.271 0.000 2.848 387 T HA 0.623 4.972 4.350 -0.001 0.000 0.285 387 T C -0.944 173.813 174.700 0.095 0.000 0.995 387 T CA -0.674 61.457 62.100 0.052 0.000 0.970 387 T CB 1.528 70.397 68.868 0.001 0.000 0.976 387 T HN 0.863 nan 8.240 nan 0.000 0.441 388 V N 1.195 121.083 119.914 -0.042 0.000 2.555 388 V HA 0.703 4.822 4.120 -0.001 0.000 0.302 388 V C -0.488 175.583 176.094 -0.039 0.000 1.038 388 V CA -1.103 61.156 62.300 -0.068 0.000 0.887 388 V CB 1.337 32.941 31.823 -0.364 0.000 0.991 388 V HN 0.869 nan 8.190 nan 0.000 0.434 389 I N 5.483 126.059 120.570 0.010 0.000 2.297 389 I HA 0.465 4.634 4.170 -0.001 0.000 0.291 389 I C -0.473 175.683 176.117 0.065 0.000 1.033 389 I CA -0.125 61.187 61.300 0.021 0.000 1.253 389 I CB 0.955 38.967 38.000 0.019 0.000 1.396 389 I HN 0.543 nan 8.210 nan 0.000 0.476 390 I N 6.061 126.688 120.570 0.096 0.000 2.378 390 I HA 0.342 4.511 4.170 -0.001 0.000 0.291 390 I C -0.191 175.984 176.117 0.097 0.000 0.992 390 I CA -0.802 60.565 61.300 0.113 0.000 1.154 390 I CB 1.134 39.212 38.000 0.129 0.000 1.315 390 I HN 0.465 nan 8.210 nan 0.000 0.448 391 N N 6.606 125.347 118.700 0.070 0.000 2.513 391 N HA 0.327 5.066 4.740 -0.001 0.000 0.274 391 N C -2.515 173.007 175.510 0.020 0.000 1.189 391 N CA -1.758 51.315 53.050 0.038 0.000 0.975 391 N CB 0.363 38.855 38.487 0.009 0.000 1.157 391 N HN 0.240 nan 8.380 nan 0.000 0.465 392 P HA -0.029 nan 4.420 nan 0.000 0.265 392 P C 0.110 177.379 177.300 -0.052 0.000 1.193 392 P CA 0.445 63.532 63.100 -0.022 0.000 0.765 392 P CB 0.263 31.953 31.700 -0.017 0.000 0.823 393 S N 0.171 115.854 115.700 -0.028 0.000 3.533 393 S HA -0.150 4.320 4.470 -0.001 0.000 0.347 393 S C 0.510 175.113 174.600 0.005 0.000 1.101 393 S CA 0.685 58.882 58.200 -0.005 0.000 1.009 393 S CB -2.424 60.565 63.200 -0.352 0.000 0.916 393 S HN 0.868 nan 8.310 nan 0.000 0.496 394 G N -0.759 108.119 108.800 0.130 0.000 3.015 394 G HA2 0.844 4.803 3.960 -0.001 0.000 0.281 394 G HA3 0.844 4.803 3.960 -0.001 0.000 0.281 394 G C -0.464 174.634 174.900 0.330 0.000 1.386 394 G CA -0.302 44.891 45.100 0.154 0.000 0.959 394 G HN 1.628 nan 8.290 nan 0.000 0.522 395 V N -3.142 116.924 119.914 0.253 0.000 3.102 395 V HA 0.884 5.004 4.120 -0.001 0.000 0.312 395 V C -0.886 175.378 176.094 0.284 0.000 1.135 395 V CA -1.048 61.440 62.300 0.314 0.000 1.022 395 V CB 1.587 33.583 31.823 0.289 0.000 1.056 395 V HN 0.664 nan 8.190 nan 0.000 0.436 396 V N 3.327 123.441 119.914 0.333 0.000 2.540 396 V HA 0.604 4.723 4.120 -0.001 0.000 0.302 396 V C -0.254 176.080 176.094 0.400 0.000 1.035 396 V CA -0.336 62.182 62.300 0.364 0.000 0.873 396 V CB 1.637 33.629 31.823 0.280 0.000 0.992 396 V HN 1.027 nan 8.190 nan 0.000 0.428 397 M N 4.718 124.550 119.600 0.387 0.000 2.253 397 M HA 0.556 5.035 4.480 -0.001 0.000 0.314 397 M C -2.148 174.443 176.300 0.485 0.000 1.019 397 M CA -0.344 55.132 55.300 0.293 0.000 0.932 397 M CB 1.733 34.418 32.600 0.142 0.000 1.606 397 M HN 0.638 nan 8.290 nan 0.000 0.430 398 W N 3.864 125.249 121.300 0.142 0.000 2.573 398 W HA 0.353 5.011 4.660 -0.003 0.000 0.326 398 W C -1.166 175.434 176.519 0.136 0.000 1.049 398 W CA -0.909 56.509 57.345 0.122 0.000 1.220 398 W CB 0.769 30.287 29.460 0.097 0.000 1.373 398 W HN 0.476 nan 8.180 nan 0.000 0.507 399 Y N 4.866 125.294 120.300 0.213 0.000 2.367 399 Y HA 0.565 5.114 4.550 -0.001 0.000 0.342 399 Y C -1.286 174.724 175.900 0.183 0.000 0.979 399 Y CA -1.073 57.139 58.100 0.186 0.000 1.161 399 Y CB 0.493 39.047 38.460 0.158 0.000 1.155 399 Y HN 0.277 nan 8.280 nan 0.000 0.503 400 L N 9.051 130.129 121.223 -0.241 0.000 2.341 400 L HA 0.628 4.968 4.340 -0.001 0.000 0.278 400 L C -1.830 174.891 176.870 -0.249 0.000 1.005 400 L CA -0.719 53.940 54.840 -0.302 0.000 0.818 400 L CB 1.119 43.067 42.059 -0.185 0.000 1.259 400 L HN 0.613 nan 8.230 nan 0.000 0.418 401 Y N 2.380 122.577 120.300 -0.172 0.000 2.544 401 Y HA 0.804 5.354 4.550 -0.000 0.000 0.342 401 Y C -2.910 172.993 175.900 0.006 0.000 1.062 401 Y CA -3.061 54.984 58.100 -0.092 0.000 1.023 401 Y CB 0.607 38.939 38.460 -0.213 0.000 1.308 401 Y HN 0.395 nan 8.280 nan 0.000 0.457 402 P HA 0.307 nan 4.420 nan 0.000 0.271 402 P C -0.658 176.620 177.300 -0.036 0.000 1.218 402 P CA -0.042 62.928 63.100 -0.217 0.000 0.780 402 P CB 0.825 32.392 31.700 -0.221 0.000 0.901 403 I N -1.388 119.120 120.570 -0.102 0.000 2.569 403 I HA 0.657 4.827 4.170 -0.001 0.000 0.296 403 I C -0.129 175.960 176.117 -0.047 0.000 1.028 403 I CA -1.282 60.008 61.300 -0.016 0.000 1.082 403 I CB 2.252 40.252 38.000 0.001 0.000 1.264 403 I HN -0.039 nan 8.210 nan 0.000 0.429 404 K N 0.000 120.389 120.400 -0.018 0.000 2.780 404 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 404 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 404 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 404 K HN 0.000 nan 8.250 nan 0.000 0.543