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 2xef_1_A DATA FIRST_RESID 55 DATA SEQUENCE KHNMKAFLDE LKAENIKKFL YNFTQIPHLA GTEQNFQLAK QIQSQWKEFG DATA SEQUENCE LDSVELAHYD VLLSYPNKTH PNYISIINED GNEIFNTSLF EPPPPGYENV DATA SEQUENCE SDIVPPFSAF SPQGMPEGDL VYVNYARTED FFKLERDMKI NCSGKIVIAR DATA SEQUENCE YGKVFRGNKV KNAQLAGAKG VILYSDPADY FAPGVKSYPD GWNLPGGGVQ DATA SEQUENCE RGNILNLNGA GDPLTPGYPA NEYAYRRGIA EAVGLPSIPV HPIGYYDAQK DATA SEQUENCE LLEKMGGSAP PDSSWRGSLK VPYNVGPGFT GNFSTQKVKM HIHSTNEVTR DATA SEQUENCE IYNVIGTLRG AVEPDRYVIL GGHRDSWVFG GIDPQSGAAV VHEIVRSFGT DATA SEQUENCE LKKEGWRPRR TILFASWDAE EFGLLGSTEW AEENSRLLQE RGVAYINADS DATA SEQUENCE SIEGNYTLRV DCTPLMYSLV HNLTKELKSP DEGFEGKSLY ESWTKKSPSP DATA SEQUENCE EFSGMPRISK LGSGNDFEVF FQRLGIASGR ARYTKNWETN KFSGYPLYHS DATA SEQUENCE VYETYELVEK FYDPMFKYHL TVAQVRGGMV FELANSIVQP FDCRDYAVVL DATA SEQUENCE RKYADKIYSI SMKHPQEMKT YSVSFDSLFS AVKNFTEIAS KFSERLQDFX DATA SEQUENCE XSNPIVLRMM NDQLMFLERA FIDPLGLPDR PFYRHVIYAP SSHNKYAGES DATA SEQUENCE FPGIYDALFD IESKVDPSKA WGEVKRQIYV AAFTVQAAAE TLSEVA 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 55 K HA 0.000 nan 4.320 nan 0.000 0.191 55 K C 0.000 176.475 176.600 -0.208 0.000 0.988 55 K CA 0.000 56.175 56.287 -0.187 0.000 0.838 55 K CB 0.000 32.462 32.500 -0.063 0.000 1.064 56 H N 2.708 121.794 119.070 0.027 0.000 2.685 56 H HA 0.277 4.833 4.556 -0.000 0.000 0.286 56 H C -0.106 175.236 175.328 0.024 0.000 1.102 56 H CA -0.303 55.711 56.048 -0.055 0.000 1.254 56 H CB 0.540 30.269 29.762 -0.056 0.000 1.397 56 H HN 0.547 nan 8.280 nan 0.000 0.473 57 N N 1.584 120.323 118.700 0.065 0.000 3.229 57 N HA 0.156 4.895 4.740 -0.000 0.000 0.315 57 N C 0.660 175.986 175.510 -0.305 0.000 1.520 57 N CA -0.917 52.177 53.050 0.073 0.000 0.769 57 N CB 1.480 39.988 38.487 0.034 0.000 1.766 57 N HN 0.271 nan 8.380 nan 0.000 0.618 58 M N 0.457 119.702 119.600 -0.591 0.000 2.229 58 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 58 M C 2.111 178.119 176.300 -0.487 0.000 1.063 58 M CA 1.587 56.209 55.300 -1.131 0.000 1.114 58 M CB -0.228 31.817 32.600 -0.925 0.000 1.387 58 M HN 0.648 nan 8.290 nan 0.000 0.420 59 K N 0.186 120.418 120.400 -0.280 0.000 2.103 59 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 59 K C 1.740 178.220 176.600 -0.200 0.000 1.048 59 K CA 1.528 57.699 56.287 -0.193 0.000 0.930 59 K CB -0.117 32.306 32.500 -0.128 0.000 0.716 59 K HN 0.391 nan 8.250 nan 0.000 0.444 60 A N 0.909 123.617 122.820 -0.188 0.000 1.877 60 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 60 A C 1.980 179.437 177.584 -0.210 0.000 1.186 60 A CA 1.448 53.390 52.037 -0.159 0.000 0.620 60 A CB -0.821 18.123 19.000 -0.093 0.000 0.822 60 A HN 0.540 nan 8.150 nan 0.000 0.443 61 F N 0.739 120.444 119.950 -0.408 0.000 2.075 61 F HA -0.146 4.381 4.527 -0.001 0.000 0.297 61 F C 1.856 177.430 175.800 -0.375 0.000 1.113 61 F CA 1.854 59.581 58.000 -0.456 0.000 1.218 61 F CB -0.439 38.200 39.000 -0.602 0.000 0.984 61 F HN 0.135 nan 8.300 nan 0.000 0.472 62 L N 0.044 120.940 121.223 -0.545 0.000 2.083 62 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 62 L C 2.037 178.642 176.870 -0.441 0.000 1.083 62 L CA 1.415 55.929 54.840 -0.543 0.000 0.752 62 L CB -0.859 41.050 42.059 -0.251 0.000 0.899 62 L HN 0.081 nan 8.230 nan 0.000 0.433 63 D N -0.415 119.788 120.400 -0.328 0.000 2.264 63 D HA -0.176 4.464 4.640 -0.000 0.000 0.208 63 D C 2.055 178.195 176.300 -0.267 0.000 0.966 63 D CA 0.791 54.643 54.000 -0.247 0.000 0.864 63 D CB 0.107 40.796 40.800 -0.184 0.000 0.933 63 D HN 0.250 nan 8.370 nan 0.000 0.499 64 E N 0.164 120.159 120.200 -0.343 0.000 2.216 64 E HA -0.002 4.347 4.350 -0.000 0.000 0.192 64 E C 0.360 176.760 176.600 -0.334 0.000 0.988 64 E CA 0.085 56.299 56.400 -0.311 0.000 0.834 64 E CB -0.059 29.452 29.700 -0.315 0.000 0.772 64 E HN 0.207 nan 8.360 nan 0.000 0.479 65 L N 1.864 122.831 121.223 -0.426 0.000 2.499 65 L HA 0.067 4.407 4.340 -0.000 0.000 0.273 65 L C 0.114 176.844 176.870 -0.234 0.000 1.195 65 L CA 0.347 54.982 54.840 -0.341 0.000 0.882 65 L CB 0.261 42.096 42.059 -0.373 0.000 1.133 65 L HN -0.073 nan 8.230 nan 0.000 0.483 66 K N 2.249 122.531 120.400 -0.197 0.000 2.471 66 K HA 0.384 4.704 4.320 -0.000 0.000 0.252 66 K C 0.468 176.973 176.600 -0.159 0.000 0.938 66 K CA -0.454 55.726 56.287 -0.178 0.000 0.796 66 K CB 1.916 34.298 32.500 -0.198 0.000 1.161 66 K HN 0.566 nan 8.250 nan 0.000 0.425 67 A N 2.777 125.525 122.820 -0.120 0.000 1.917 67 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 67 A C 1.753 179.222 177.584 -0.192 0.000 1.182 67 A CA 2.197 54.187 52.037 -0.079 0.000 0.633 67 A CB -0.440 18.545 19.000 -0.025 0.000 0.819 67 A HN 0.857 nan 8.150 nan 0.000 0.448 68 E N -0.480 119.586 120.200 -0.224 0.000 2.110 68 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 68 E C 1.448 177.793 176.600 -0.425 0.000 0.988 68 E CA 1.356 57.575 56.400 -0.301 0.000 0.804 68 E CB -0.484 29.076 29.700 -0.232 0.000 0.745 68 E HN 0.536 nan 8.360 nan 0.000 0.458 69 N N 1.182 119.619 118.700 -0.440 0.000 2.171 69 N HA -0.037 4.703 4.740 -0.000 0.000 0.184 69 N C 2.074 177.082 175.510 -0.837 0.000 1.021 69 N CA 1.054 53.672 53.050 -0.719 0.000 0.854 69 N CB -0.211 37.914 38.487 -0.604 0.000 0.994 69 N HN 0.281 nan 8.380 nan 0.000 0.426 70 I N 1.326 121.646 120.570 -0.417 0.000 2.208 70 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 70 I C 2.449 178.323 176.117 -0.405 0.000 1.097 70 I CA 1.098 62.284 61.300 -0.191 0.000 1.363 70 I CB -0.188 37.821 38.000 0.014 0.000 1.051 70 I HN 0.135 nan 8.210 nan 0.000 0.413 71 K N 2.013 121.932 120.400 -0.802 0.000 2.032 71 K HA -0.252 4.067 4.320 -0.000 0.000 0.209 71 K C 2.212 178.508 176.600 -0.507 0.000 1.048 71 K CA 2.080 57.661 56.287 -1.177 0.000 0.927 71 K CB -0.085 31.633 32.500 -1.303 0.000 0.712 71 K HN 0.357 nan 8.250 nan 0.000 0.441 72 K N -0.603 119.504 120.400 -0.488 0.000 2.148 72 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 72 K C 1.776 178.260 176.600 -0.194 0.000 1.050 72 K CA 1.391 57.474 56.287 -0.340 0.000 0.942 72 K CB -0.296 31.976 32.500 -0.381 0.000 0.724 72 K HN 0.010 nan 8.250 nan 0.000 0.446 73 F N 1.411 121.193 119.950 -0.280 0.000 2.146 73 F HA -0.024 4.503 4.527 -0.001 0.000 0.298 73 F C 2.168 177.544 175.800 -0.706 0.000 1.096 73 F CA 0.153 57.809 58.000 -0.572 0.000 1.275 73 F CB -0.982 37.733 39.000 -0.475 0.000 1.008 73 F HN 0.000 nan 8.300 nan 0.000 0.480 74 L N -0.630 120.527 121.223 -0.110 0.000 2.017 74 L HA -0.246 4.093 4.340 -0.000 0.000 0.208 74 L C 2.365 179.323 176.870 0.147 0.000 1.073 74 L CA 1.729 56.624 54.840 0.092 0.000 0.745 74 L CB -1.318 40.915 42.059 0.289 0.000 0.894 74 L HN 0.209 nan 8.230 nan 0.000 0.432 75 Y N 0.475 120.730 120.300 -0.075 0.000 2.114 75 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 75 Y C 2.664 178.481 175.900 -0.138 0.000 1.165 75 Y CA 2.368 60.247 58.100 -0.368 0.000 1.148 75 Y CB -0.501 37.574 38.460 -0.642 0.000 0.972 75 Y HN 0.461 nan 8.280 nan 0.000 0.504 76 N N -0.462 118.223 118.700 -0.025 0.000 2.223 76 N HA -0.182 4.558 4.740 -0.000 0.000 0.185 76 N C 1.074 176.688 175.510 0.173 0.000 1.016 76 N CA 1.294 54.359 53.050 0.025 0.000 0.863 76 N CB -0.290 38.218 38.487 0.036 0.000 0.983 76 N HN 0.324 nan 8.380 nan 0.000 0.429 77 F N 0.325 120.291 119.950 0.026 0.000 2.765 77 F HA 0.162 4.689 4.527 -0.001 0.000 0.302 77 F C 1.665 177.567 175.800 0.171 0.000 1.111 77 F CA 0.502 58.509 58.000 0.012 0.000 1.359 77 F CB -0.337 38.642 39.000 -0.034 0.000 1.097 77 F HN 0.046 nan 8.300 nan 0.000 0.577 78 T N -4.605 110.131 114.554 0.303 0.000 3.231 78 T HA 0.128 4.478 4.350 -0.000 0.000 0.292 78 T C 1.240 176.078 174.700 0.231 0.000 1.001 78 T CA -0.144 62.152 62.100 0.328 0.000 0.920 78 T CB 0.261 69.312 68.868 0.306 0.000 1.140 78 T HN -0.092 nan 8.240 nan 0.000 0.525 79 Q N 1.508 121.377 119.800 0.115 0.000 2.269 79 Q HA 0.347 4.687 4.340 -0.000 0.000 0.201 79 Q C 1.066 177.206 176.000 0.233 0.000 0.946 79 Q CA 0.584 56.401 55.803 0.025 0.000 0.877 79 Q CB 0.317 28.979 28.738 -0.127 0.000 0.963 79 Q HN 0.854 nan 8.270 nan 0.000 0.472 80 I N -3.826 116.896 120.570 0.254 0.000 2.969 80 I HA 0.575 4.745 4.170 -0.000 0.000 0.307 80 I C -2.875 173.163 176.117 -0.131 0.000 1.149 80 I CA -3.020 58.378 61.300 0.163 0.000 1.008 80 I CB 2.517 40.498 38.000 -0.032 0.000 1.232 80 I HN -0.331 nan 8.210 nan 0.000 0.435 81 P HA 0.241 nan 4.420 nan 0.000 0.271 81 P C -1.250 175.744 177.300 -0.509 0.000 1.218 81 P CA 0.198 63.058 63.100 -0.401 0.000 0.780 81 P CB 0.171 31.658 31.700 -0.355 0.000 0.901 82 H N 0.795 119.863 119.070 -0.004 0.000 2.471 82 H HA 0.286 4.842 4.556 -0.000 0.000 0.234 82 H C -0.306 175.039 175.328 0.028 0.000 1.388 82 H CA -0.718 55.337 56.048 0.011 0.000 1.198 82 H CB -0.224 29.535 29.762 -0.006 0.000 1.714 82 H HN 0.211 nan 8.280 nan 0.000 0.536 83 L N 1.803 123.086 121.223 0.100 0.000 2.490 83 L HA 0.304 4.643 4.340 -0.000 0.000 0.274 83 L C 0.507 177.485 176.870 0.180 0.000 1.201 83 L CA -0.111 54.819 54.840 0.149 0.000 0.869 83 L CB 0.147 42.341 42.059 0.226 0.000 1.123 83 L HN 0.460 nan 8.230 nan 0.000 0.484 84 A N 3.967 126.897 122.820 0.184 0.000 2.561 84 A HA 0.416 4.735 4.320 -0.000 0.000 0.234 84 A C 1.409 179.048 177.584 0.092 0.000 1.055 84 A CA 0.484 52.586 52.037 0.108 0.000 0.756 84 A CB -0.698 18.315 19.000 0.022 0.000 0.986 84 A HN 1.929 nan 8.150 nan 0.000 0.505 85 G N 1.190 110.055 108.800 0.108 0.000 2.205 85 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.261 85 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.261 85 G C 0.587 175.555 174.900 0.114 0.000 0.980 85 G CA 1.303 46.478 45.100 0.124 0.000 0.632 85 G HN 2.196 nan 8.290 nan 0.000 0.533 86 T N -2.163 112.458 114.554 0.112 0.000 2.927 86 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 86 T C 1.020 175.778 174.700 0.097 0.000 0.998 86 T CA 0.515 62.645 62.100 0.050 0.000 1.019 86 T CB 2.262 71.144 68.868 0.023 0.000 1.061 86 T HN 0.144 nan 8.240 nan 0.000 0.518 87 E N 0.696 120.932 120.200 0.061 0.000 2.118 87 E HA -0.194 4.155 4.350 -0.000 0.000 0.195 87 E C 2.060 178.740 176.600 0.132 0.000 0.992 87 E CA 1.666 58.131 56.400 0.109 0.000 0.804 87 E CB -0.490 29.244 29.700 0.058 0.000 0.741 87 E HN 0.758 nan 8.360 nan 0.000 0.458 88 Q N 0.046 119.894 119.800 0.081 0.000 2.096 88 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 88 Q C 1.994 178.107 176.000 0.189 0.000 0.982 88 Q CA 1.874 57.729 55.803 0.087 0.000 0.850 88 Q CB -0.430 28.301 28.738 -0.012 0.000 0.901 88 Q HN 0.463 nan 8.270 nan 0.000 0.422 89 N N -0.620 118.194 118.700 0.190 0.000 2.106 89 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 89 N C 1.488 177.050 175.510 0.086 0.000 1.029 89 N CA 0.928 54.086 53.050 0.181 0.000 0.848 89 N CB -0.159 38.439 38.487 0.186 0.000 1.007 89 N HN 0.238 nan 8.380 nan 0.000 0.423 90 F N 1.515 121.440 119.950 -0.043 0.000 2.134 90 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 90 F C 2.215 177.878 175.800 -0.229 0.000 1.097 90 F CA 1.485 59.346 58.000 -0.230 0.000 1.264 90 F CB -0.549 38.260 39.000 -0.317 0.000 1.001 90 F HN 0.166 nan 8.300 nan 0.000 0.479 91 Q N -0.153 119.474 119.800 -0.288 0.000 2.096 91 Q HA -0.214 4.125 4.340 -0.000 0.000 0.204 91 Q C 2.185 177.980 176.000 -0.341 0.000 0.982 91 Q CA 1.826 57.411 55.803 -0.363 0.000 0.850 91 Q CB -0.509 28.156 28.738 -0.121 0.000 0.901 91 Q HN 0.481 nan 8.270 nan 0.000 0.422 92 L N 0.533 121.610 121.223 -0.244 0.000 2.056 92 L HA -0.077 4.262 4.340 -0.000 0.000 0.207 92 L C 2.154 178.762 176.870 -0.437 0.000 1.078 92 L CA 1.870 56.505 54.840 -0.341 0.000 0.749 92 L CB -0.811 40.965 42.059 -0.471 0.000 0.901 92 L HN 0.127 nan 8.230 nan 0.000 0.433 93 A N -0.448 122.130 122.820 -0.403 0.000 1.892 93 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 93 A C 2.348 179.649 177.584 -0.471 0.000 1.188 93 A CA 2.194 53.986 52.037 -0.407 0.000 0.631 93 A CB -0.556 18.279 19.000 -0.275 0.000 0.822 93 A HN 0.512 nan 8.150 nan 0.000 0.447 94 K N -0.894 119.162 120.400 -0.573 0.000 2.097 94 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 94 K C 2.418 178.793 176.600 -0.376 0.000 1.049 94 K CA 1.421 57.407 56.287 -0.501 0.000 0.933 94 K CB -0.184 31.934 32.500 -0.636 0.000 0.717 94 K HN 0.712 nan 8.250 nan 0.000 0.442 95 Q N 1.189 120.774 119.800 -0.358 0.000 2.061 95 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 95 Q C 2.085 177.888 176.000 -0.329 0.000 0.984 95 Q CA 1.471 57.107 55.803 -0.278 0.000 0.846 95 Q CB -0.068 28.539 28.738 -0.220 0.000 0.902 95 Q HN 0.307 nan 8.270 nan 0.000 0.421 96 I N 0.643 120.930 120.570 -0.470 0.000 2.226 96 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 96 I C 2.761 178.436 176.117 -0.736 0.000 1.100 96 I CA 1.450 62.349 61.300 -0.668 0.000 1.374 96 I CB -0.392 37.050 38.000 -0.930 0.000 1.057 96 I HN 0.423 nan 8.210 nan 0.000 0.413 97 Q N 0.403 119.874 119.800 -0.547 0.000 2.061 97 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 97 Q C 2.336 178.201 176.000 -0.226 0.000 0.984 97 Q CA 2.376 57.971 55.803 -0.347 0.000 0.846 97 Q CB -0.111 28.479 28.738 -0.247 0.000 0.902 97 Q HN 0.390 nan 8.270 nan 0.000 0.421 98 S N -0.395 115.164 115.700 -0.234 0.000 2.368 98 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 98 S C 1.893 176.366 174.600 -0.212 0.000 1.030 98 S CA 1.604 59.699 58.200 -0.175 0.000 0.999 98 S CB -0.125 62.978 63.200 -0.161 0.000 0.844 98 S HN 0.495 nan 8.310 nan 0.000 0.459 99 Q N -0.819 118.795 119.800 -0.311 0.000 2.046 99 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 99 Q C 1.968 177.531 176.000 -0.729 0.000 0.975 99 Q CA 1.511 56.974 55.803 -0.566 0.000 0.836 99 Q CB -0.287 28.113 28.738 -0.562 0.000 0.896 99 Q HN 0.638 nan 8.270 nan 0.000 0.428 100 W N 1.689 122.631 121.300 -0.597 0.000 2.342 100 W HA -0.129 4.531 4.660 -0.000 0.000 0.297 100 W C 1.909 178.309 176.519 -0.200 0.000 1.213 100 W CA 0.747 57.872 57.345 -0.366 0.000 1.251 100 W CB -0.432 28.918 29.460 -0.182 0.000 1.136 100 W HN 0.147 nan 8.180 nan 0.000 0.526 101 K N -0.055 120.374 120.400 0.048 0.000 2.026 101 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 101 K C 1.868 178.480 176.600 0.020 0.000 1.048 101 K CA 1.753 58.061 56.287 0.034 0.000 0.929 101 K CB -0.561 31.943 32.500 0.007 0.000 0.713 101 K HN 0.142 nan 8.250 nan 0.000 0.439 102 E N 0.248 120.418 120.200 -0.050 0.000 2.110 102 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 102 E C 1.591 178.282 176.600 0.151 0.000 0.988 102 E CA 0.928 57.331 56.400 0.006 0.000 0.804 102 E CB 0.038 29.707 29.700 -0.050 0.000 0.745 102 E HN 0.156 nan 8.360 nan 0.000 0.458 103 F N -0.343 119.618 119.950 0.019 0.000 2.365 103 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 103 F C 1.943 177.740 175.800 -0.006 0.000 1.090 103 F CA 1.316 59.307 58.000 -0.016 0.000 1.408 103 F CB -0.097 38.849 39.000 -0.090 0.000 1.060 103 F HN 0.285 nan 8.300 nan 0.000 0.534 104 G N -0.571 108.340 108.800 0.185 0.000 2.198 104 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.156 104 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.156 104 G C 0.203 175.162 174.900 0.098 0.000 1.012 104 G CA -0.368 44.806 45.100 0.124 0.000 0.692 104 G HN 0.160 nan 8.290 nan 0.000 0.492 105 L N 1.004 122.280 121.223 0.087 0.000 2.483 105 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 105 L C 1.386 178.302 176.870 0.076 0.000 1.220 105 L CA -0.200 54.685 54.840 0.075 0.000 0.833 105 L CB 0.340 42.442 42.059 0.071 0.000 1.102 105 L HN 0.041 nan 8.230 nan 0.000 0.490 106 D N 0.317 120.758 120.400 0.067 0.000 2.117 106 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 106 D C 0.796 177.133 176.300 0.062 0.000 0.982 106 D CA 1.289 55.321 54.000 0.055 0.000 0.828 106 D CB 0.314 41.137 40.800 0.038 0.000 0.967 106 D HN 0.582 nan 8.370 nan 0.000 0.464 107 S N -0.573 115.173 115.700 0.076 0.000 2.546 107 S HA 0.561 5.031 4.470 -0.000 0.000 0.274 107 S C -1.071 173.597 174.600 0.114 0.000 1.121 107 S CA -0.783 57.467 58.200 0.083 0.000 0.887 107 S CB 2.544 65.790 63.200 0.078 0.000 1.094 107 S HN -0.155 nan 8.310 nan 0.000 0.474 108 V N 2.525 122.505 119.914 0.111 0.000 2.567 108 V HA 0.618 4.738 4.120 -0.000 0.000 0.298 108 V C -1.111 175.041 176.094 0.097 0.000 1.047 108 V CA -0.535 61.849 62.300 0.141 0.000 0.880 108 V CB 1.548 33.470 31.823 0.165 0.000 1.009 108 V HN 0.939 nan 8.190 nan 0.000 0.429 109 E N 3.724 123.990 120.200 0.110 0.000 2.299 109 E HA 0.647 4.997 4.350 -0.000 0.000 0.265 109 E C -1.070 175.594 176.600 0.107 0.000 0.911 109 E CA -0.785 55.679 56.400 0.105 0.000 0.789 109 E CB 3.128 32.908 29.700 0.132 0.000 1.246 109 E HN 0.489 nan 8.360 nan 0.000 0.427 110 L N 0.963 122.263 121.223 0.129 0.000 2.307 110 L HA 0.584 4.923 4.340 -0.000 0.000 0.282 110 L C 0.022 177.027 176.870 0.225 0.000 1.051 110 L CA -0.912 54.042 54.840 0.189 0.000 0.804 110 L CB 1.303 43.519 42.059 0.261 0.000 1.197 110 L HN 0.459 nan 8.230 nan 0.000 0.431 111 A N 3.403 126.360 122.820 0.228 0.000 2.273 111 A HA 0.539 4.859 4.320 -0.000 0.000 0.315 111 A C -0.553 177.012 177.584 -0.031 0.000 1.256 111 A CA -0.596 51.518 52.037 0.128 0.000 0.851 111 A CB 0.242 19.487 19.000 0.409 0.000 1.172 111 A HN 0.836 nan 8.150 nan 0.000 0.508 112 H N 0.544 119.402 119.070 -0.354 0.000 2.616 112 H HA 0.813 5.369 4.556 -0.000 0.000 0.353 112 H C -1.835 172.921 175.328 -0.953 0.000 1.170 112 H CA -0.743 54.998 56.048 -0.512 0.000 1.212 112 H CB 1.302 30.771 29.762 -0.490 0.000 1.653 112 H HN 0.517 nan 8.280 nan 0.000 0.537 113 Y N -0.734 119.543 120.300 -0.038 0.000 2.597 113 Y HA 0.223 4.773 4.550 -0.001 0.000 0.340 113 Y C -0.878 174.987 175.900 -0.058 0.000 1.097 113 Y CA -1.068 57.001 58.100 -0.052 0.000 1.037 113 Y CB 2.085 40.517 38.460 -0.046 0.000 1.305 113 Y HN 0.579 nan 8.280 nan 0.000 0.463 114 D N 2.565 123.022 120.400 0.095 0.000 2.453 114 D HA 0.474 5.114 4.640 -0.000 0.000 0.238 114 D C -0.863 175.452 176.300 0.025 0.000 1.088 114 D CA -0.122 53.892 54.000 0.023 0.000 0.854 114 D CB 1.825 42.627 40.800 0.003 0.000 1.076 114 D HN 0.400 nan 8.370 nan 0.000 0.533 115 V N -0.440 119.481 119.914 0.012 0.000 2.960 115 V HA 0.547 4.667 4.120 -0.000 0.000 0.315 115 V C -0.254 175.846 176.094 0.010 0.000 1.087 115 V CA -1.207 61.097 62.300 0.006 0.000 0.982 115 V CB 2.142 33.965 31.823 0.001 0.000 1.039 115 V HN 0.264 nan 8.190 nan 0.000 0.437 116 L N 2.977 124.229 121.223 0.048 0.000 2.418 116 L HA 0.475 4.815 4.340 -0.000 0.000 0.274 116 L C -0.336 176.655 176.870 0.202 0.000 1.135 116 L CA 0.788 55.702 54.840 0.123 0.000 0.870 116 L CB -0.370 41.793 42.059 0.173 0.000 1.154 116 L HN 0.689 nan 8.230 nan 0.000 0.462 117 L N 3.268 124.470 121.223 -0.034 0.000 2.260 117 L HA 0.721 5.061 4.340 -0.000 0.000 0.265 117 L C -0.228 176.292 176.870 -0.583 0.000 1.015 117 L CA -0.859 53.719 54.840 -0.437 0.000 0.826 117 L CB 1.942 43.480 42.059 -0.869 0.000 1.373 117 L HN 0.590 nan 8.230 nan 0.000 0.450 118 S N -0.699 114.492 115.700 -0.848 0.000 2.546 118 S HA 0.722 5.192 4.470 -0.000 0.000 0.272 118 S C -1.858 172.533 174.600 -0.348 0.000 1.140 118 S CA -0.355 57.545 58.200 -0.500 0.000 0.920 118 S CB 1.017 63.831 63.200 -0.644 0.000 1.083 118 S HN 0.387 nan 8.310 nan 0.000 0.476 119 Y N 1.857 122.165 120.300 0.013 0.000 2.571 119 Y HA 0.539 5.088 4.550 -0.000 0.000 0.341 119 Y C -2.513 173.171 175.900 -0.359 0.000 1.076 119 Y CA -1.922 56.034 58.100 -0.239 0.000 1.029 119 Y CB 1.646 40.025 38.460 -0.135 0.000 1.308 119 Y HN 0.458 nan 8.280 nan 0.000 0.461 120 P HA 0.014 nan 4.420 nan 0.000 0.272 120 P C -0.586 176.674 177.300 -0.067 0.000 1.230 120 P CA -0.278 62.680 63.100 -0.236 0.000 0.788 120 P CB 0.595 32.120 31.700 -0.292 0.000 0.949 121 N N 1.497 120.202 118.700 0.008 0.000 2.408 121 N HA 0.035 4.775 4.740 -0.000 0.000 0.257 121 N C 0.708 176.240 175.510 0.035 0.000 1.064 121 N CA 0.099 53.174 53.050 0.043 0.000 0.952 121 N CB 0.256 38.806 38.487 0.105 0.000 1.093 121 N HN 0.185 nan 8.380 nan 0.000 0.490 122 K N 0.908 121.308 120.400 0.001 0.000 2.209 122 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 122 K C 1.067 177.676 176.600 0.015 0.000 1.048 122 K CA 1.561 57.843 56.287 -0.008 0.000 0.940 122 K CB 0.157 32.635 32.500 -0.036 0.000 0.729 122 K HN 0.676 nan 8.250 nan 0.000 0.451 123 T N -3.388 111.184 114.554 0.030 0.000 3.174 123 T HA 0.076 4.425 4.350 -0.000 0.000 0.269 123 T C -0.089 174.656 174.700 0.076 0.000 1.017 123 T CA -0.419 61.697 62.100 0.026 0.000 0.899 123 T CB -0.136 68.726 68.868 -0.009 0.000 1.077 123 T HN 0.207 nan 8.240 nan 0.000 0.552 124 H N 1.397 120.455 119.070 -0.019 0.000 2.661 124 H HA 0.341 4.898 4.556 0.000 0.000 0.243 124 H C -3.111 172.279 175.328 0.102 0.000 1.410 124 H CA -1.912 54.112 56.048 -0.039 0.000 1.509 124 H CB 1.262 30.931 29.762 -0.155 0.000 1.761 124 H HN 0.162 nan 8.280 nan 0.000 0.576 125 P HA 0.027 nan 4.420 nan 0.000 0.275 125 P C -0.385 177.062 177.300 0.244 0.000 1.228 125 P CA -0.308 62.898 63.100 0.176 0.000 0.786 125 P CB 0.806 32.577 31.700 0.119 0.000 0.927 126 N N 1.772 120.557 118.700 0.142 0.000 2.529 126 N HA 0.290 5.030 4.740 -0.000 0.000 0.278 126 N C -0.257 175.270 175.510 0.029 0.000 1.146 126 N CA 0.195 53.231 53.050 -0.023 0.000 0.980 126 N CB 0.093 38.484 38.487 -0.161 0.000 1.124 126 N HN 0.548 nan 8.380 nan 0.000 0.458 127 Y N -1.642 118.497 120.300 -0.268 0.000 2.713 127 Y HA 0.633 5.183 4.550 -0.001 0.000 0.335 127 Y C -1.652 174.242 175.900 -0.009 0.000 1.222 127 Y CA -1.266 56.732 58.100 -0.170 0.000 1.061 127 Y CB 0.882 39.269 38.460 -0.122 0.000 1.314 127 Y HN 0.265 nan 8.280 nan 0.000 0.453 128 I N 2.023 122.613 120.570 0.034 0.000 2.569 128 I HA 0.609 4.779 4.170 -0.000 0.000 0.296 128 I C -0.671 175.516 176.117 0.116 0.000 1.028 128 I CA -0.735 60.583 61.300 0.030 0.000 1.082 128 I CB 2.294 40.361 38.000 0.110 0.000 1.264 128 I HN 0.681 nan 8.210 nan 0.000 0.429 129 S N 5.166 120.949 115.700 0.138 0.000 2.600 129 S HA 0.654 5.124 4.470 -0.000 0.000 0.300 129 S C -0.479 174.271 174.600 0.250 0.000 1.087 129 S CA -0.623 57.706 58.200 0.215 0.000 0.965 129 S CB 1.928 65.302 63.200 0.291 0.000 1.089 129 S HN 0.326 nan 8.310 nan 0.000 0.496 130 I N 2.777 123.546 120.570 0.332 0.000 2.353 130 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 130 I C -0.452 175.802 176.117 0.228 0.000 0.992 130 I CA -0.587 60.889 61.300 0.294 0.000 1.268 130 I CB 0.856 39.024 38.000 0.280 0.000 1.387 130 I HN 0.541 nan 8.210 nan 0.000 0.478 131 I N 3.310 123.995 120.570 0.193 0.000 2.603 131 I HA 0.565 4.735 4.170 -0.000 0.000 0.300 131 I C -0.431 175.776 176.117 0.150 0.000 1.017 131 I CA -0.878 60.514 61.300 0.154 0.000 1.098 131 I CB 1.696 39.769 38.000 0.122 0.000 1.279 131 I HN 0.493 nan 8.210 nan 0.000 0.437 132 N N 2.790 121.567 118.700 0.129 0.000 2.476 132 N HA 0.195 4.935 4.740 -0.000 0.000 0.287 132 N C 0.381 175.948 175.510 0.094 0.000 1.262 132 N CA -0.508 52.615 53.050 0.121 0.000 0.980 132 N CB 0.209 38.762 38.487 0.110 0.000 1.163 132 N HN 0.724 nan 8.380 nan 0.000 0.592 133 E N -1.037 119.213 120.200 0.083 0.000 2.171 133 E HA -0.189 4.160 4.350 -0.000 0.000 0.197 133 E C 0.126 176.758 176.600 0.053 0.000 0.997 133 E CA 1.340 57.777 56.400 0.062 0.000 0.810 133 E CB -0.195 29.537 29.700 0.053 0.000 0.738 133 E HN 0.554 nan 8.360 nan 0.000 0.467 134 D N -0.778 119.655 120.400 0.056 0.000 2.355 134 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 134 D C 1.253 177.585 176.300 0.054 0.000 1.004 134 D CA 0.926 54.956 54.000 0.049 0.000 0.880 134 D CB 0.664 41.492 40.800 0.047 0.000 0.911 134 D HN 0.337 nan 8.370 nan 0.000 0.528 135 G N 1.354 110.193 108.800 0.064 0.000 2.141 135 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 135 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 135 G C -0.093 174.857 174.900 0.083 0.000 0.982 135 G CA -0.304 44.838 45.100 0.071 0.000 0.662 135 G HN 0.351 nan 8.290 nan 0.000 0.527 136 N N 1.051 119.800 118.700 0.081 0.000 2.470 136 N HA 0.400 5.140 4.740 -0.000 0.000 0.268 136 N C -0.128 175.445 175.510 0.107 0.000 1.136 136 N CA -0.149 52.952 53.050 0.085 0.000 0.961 136 N CB 0.635 39.165 38.487 0.072 0.000 1.067 136 N HN 0.396 nan 8.380 nan 0.000 0.468 137 E N 2.470 122.739 120.200 0.116 0.000 1.996 137 E HA 0.057 4.407 4.350 -0.000 0.000 0.280 137 E C 0.867 177.540 176.600 0.121 0.000 1.092 137 E CA -0.124 56.362 56.400 0.143 0.000 0.862 137 E CB 0.421 30.227 29.700 0.176 0.000 1.066 137 E HN 0.655 nan 8.360 nan 0.000 0.396 138 I N 0.390 121.046 120.570 0.144 0.000 3.578 138 I HA 0.241 4.411 4.170 -0.000 0.000 0.295 138 I C 0.074 176.313 176.117 0.203 0.000 1.280 138 I CA 0.222 61.605 61.300 0.139 0.000 1.347 138 I CB 0.254 38.328 38.000 0.123 0.000 1.051 138 I HN 0.199 nan 8.210 nan 0.000 0.460 139 F N 2.049 122.028 119.950 0.049 0.000 2.604 139 F HA 0.564 5.090 4.527 -0.000 0.000 0.316 139 F C -1.923 173.930 175.800 0.088 0.000 1.136 139 F CA -0.878 57.143 58.000 0.035 0.000 0.989 139 F CB 1.395 40.394 39.000 -0.002 0.000 1.258 139 F HN -0.146 nan 8.300 nan 0.000 0.451 140 N N 2.854 120.968 118.700 -0.977 0.000 2.258 140 N HA 0.364 5.103 4.740 -0.000 0.000 0.299 140 N C -0.744 174.169 175.510 -0.996 0.000 1.047 140 N CA -0.412 52.222 53.050 -0.694 0.000 0.814 140 N CB 2.220 40.522 38.487 -0.307 0.000 1.413 140 N HN 0.734 nan 8.380 nan 0.000 0.478 141 T N -1.659 112.601 114.554 -0.491 0.000 2.766 141 T HA 0.242 4.591 4.350 -0.000 0.000 0.295 141 T C 0.869 175.499 174.700 -0.117 0.000 1.024 141 T CA -0.676 61.304 62.100 -0.200 0.000 1.018 141 T CB 0.259 69.183 68.868 0.093 0.000 1.002 141 T HN 0.443 nan 8.240 nan 0.000 0.532 142 S N 0.690 116.354 115.700 -0.060 0.000 2.579 142 S HA 0.180 4.650 4.470 -0.000 0.000 0.275 142 S C 0.968 175.521 174.600 -0.078 0.000 1.345 142 S CA -0.886 57.233 58.200 -0.134 0.000 1.031 142 S CB -0.037 63.071 63.200 -0.153 0.000 0.892 142 S HN 0.657 nan 8.310 nan 0.000 0.529 143 L N 1.097 122.228 121.223 -0.154 0.000 2.567 143 L HA 0.355 4.695 4.340 -0.000 0.000 0.225 143 L C -0.169 176.822 176.870 0.202 0.000 1.119 143 L CA -0.025 54.845 54.840 0.051 0.000 0.871 143 L CB -0.637 41.489 42.059 0.112 0.000 1.036 143 L HN 0.829 nan 8.230 nan 0.000 0.459 144 F N -3.213 116.771 119.950 0.056 0.000 2.744 144 F HA 0.446 4.972 4.527 -0.001 0.000 0.311 144 F C -0.845 174.986 175.800 0.052 0.000 1.144 144 F CA -1.531 56.498 58.000 0.048 0.000 0.938 144 F CB 0.732 39.755 39.000 0.037 0.000 1.292 144 F HN -0.262 nan 8.300 nan 0.000 0.444 145 E N 2.225 122.559 120.200 0.223 0.000 2.313 145 E HA 0.340 4.690 4.350 -0.000 0.000 0.276 145 E C -2.545 174.250 176.600 0.325 0.000 1.031 145 E CA -1.806 54.681 56.400 0.145 0.000 0.857 145 E CB 0.655 30.363 29.700 0.014 0.000 1.040 145 E HN 0.297 nan 8.360 nan 0.000 0.408 146 P HA 0.001 nan 4.420 nan 0.000 0.262 146 P C -2.404 175.130 177.300 0.390 0.000 1.199 146 P CA -0.738 62.599 63.100 0.395 0.000 0.763 146 P CB -0.125 31.769 31.700 0.323 0.000 0.790 147 P HA 0.204 nan 4.420 nan 0.000 0.274 147 P C -2.481 175.060 177.300 0.401 0.000 1.231 147 P CA -1.743 61.531 63.100 0.290 0.000 0.790 147 P CB -0.433 31.422 31.700 0.259 0.000 0.951 148 P HA 0.264 nan 4.420 nan 0.000 0.274 148 P C -2.585 175.011 177.300 0.494 0.000 1.246 148 P CA -2.030 61.409 63.100 0.566 0.000 0.795 148 P CB -1.251 30.827 31.700 0.630 0.000 1.006 149 P HA 0.029 nan 4.420 nan 0.000 0.261 149 P C 1.058 178.516 177.300 0.263 0.000 1.183 149 P CA 1.526 64.794 63.100 0.280 0.000 0.761 149 P CB -0.396 31.422 31.700 0.197 0.000 0.785 150 G N 2.149 111.032 108.800 0.138 0.000 2.199 150 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.254 150 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.254 150 G C 0.413 175.219 174.900 -0.156 0.000 0.982 150 G CA -0.120 44.962 45.100 -0.031 0.000 0.632 150 G HN 0.523 nan 8.290 nan 0.000 0.529 151 Y N 0.575 120.922 120.300 0.078 0.000 2.531 151 Y HA 0.399 4.948 4.550 -0.001 0.000 0.249 151 Y C 1.910 177.882 175.900 0.120 0.000 1.168 151 Y CA 0.502 58.650 58.100 0.080 0.000 1.226 151 Y CB 0.596 39.097 38.460 0.068 0.000 1.177 151 Y HN 0.321 nan 8.280 nan 0.000 0.527 152 E N -0.123 120.214 120.200 0.229 0.000 2.472 152 E HA -0.138 4.212 4.350 -0.000 0.000 0.200 152 E C 1.235 177.898 176.600 0.104 0.000 1.046 152 E CA 0.771 57.273 56.400 0.169 0.000 0.871 152 E CB -0.076 29.710 29.700 0.143 0.000 0.806 152 E HN 0.267 nan 8.360 nan 0.000 0.533 153 N N -0.477 118.281 118.700 0.097 0.000 2.187 153 N HA 0.033 4.772 4.740 -0.000 0.000 0.212 153 N C -0.843 174.711 175.510 0.073 0.000 1.152 153 N CA -0.046 53.038 53.050 0.057 0.000 0.872 153 N CB 0.736 39.242 38.487 0.033 0.000 1.025 153 N HN -0.148 nan 8.380 nan 0.000 0.514 154 V N 1.719 121.719 119.914 0.143 0.000 2.572 154 V HA 0.164 4.284 4.120 -0.000 0.000 0.291 154 V C 0.634 176.792 176.094 0.107 0.000 1.039 154 V CA -0.337 62.071 62.300 0.180 0.000 1.055 154 V CB 0.837 32.900 31.823 0.400 0.000 0.969 154 V HN 0.390 nan 8.190 nan 0.000 0.482 155 S N 2.810 118.545 115.700 0.059 0.000 2.693 155 S HA 0.441 4.911 4.470 -0.000 0.000 0.276 155 S C 0.056 174.650 174.600 -0.011 0.000 1.192 155 S CA -0.429 57.776 58.200 0.008 0.000 0.994 155 S CB 1.280 64.476 63.200 -0.007 0.000 1.012 155 S HN 0.798 nan 8.310 nan 0.000 0.550 156 D N -0.593 119.784 120.400 -0.039 0.000 2.981 156 D HA -0.129 4.511 4.640 -0.000 0.000 0.223 156 D C -0.647 175.608 176.300 -0.075 0.000 1.151 156 D CA 0.720 54.686 54.000 -0.056 0.000 0.827 156 D CB -1.729 39.036 40.800 -0.059 0.000 1.101 156 D HN 0.658 nan 8.370 nan 0.000 0.426 157 I N 0.902 121.429 120.570 -0.073 0.000 2.436 157 I HA 0.057 4.227 4.170 -0.000 0.000 0.289 157 I C 1.086 177.185 176.117 -0.030 0.000 1.083 157 I CA -0.287 60.954 61.300 -0.099 0.000 1.372 157 I CB 1.210 39.159 38.000 -0.085 0.000 1.408 157 I HN -0.173 nan 8.210 nan 0.000 0.516 158 V N 10.352 130.277 119.914 0.019 0.000 2.572 158 V HA 0.189 4.309 4.120 -0.000 0.000 0.291 158 V C -1.641 174.515 176.094 0.104 0.000 1.039 158 V CA -1.327 61.023 62.300 0.083 0.000 1.055 158 V CB 0.930 32.892 31.823 0.232 0.000 0.969 158 V HN 0.586 nan 8.190 nan 0.000 0.482 159 P HA 0.267 nan 4.420 nan 0.000 0.272 159 P C -2.820 174.601 177.300 0.201 0.000 1.230 159 P CA -1.723 61.463 63.100 0.145 0.000 0.788 159 P CB -0.237 31.557 31.700 0.157 0.000 0.949 160 P HA 0.108 nan 4.420 nan 0.000 0.264 160 P C -0.697 176.717 177.300 0.191 0.000 1.193 160 P CA 0.806 63.947 63.100 0.067 0.000 0.763 160 P CB -0.203 31.468 31.700 -0.049 0.000 0.810 161 F N -1.051 118.774 119.950 -0.209 0.000 2.741 161 F HA 0.583 5.110 4.527 -0.000 0.000 0.311 161 F C -1.178 174.487 175.800 -0.225 0.000 1.149 161 F CA -1.119 56.812 58.000 -0.116 0.000 0.930 161 F CB 0.887 39.905 39.000 0.031 0.000 1.312 161 F HN -0.062 nan 8.300 nan 0.000 0.450 162 S N 1.896 117.450 115.700 -0.244 0.000 2.410 162 S HA 0.658 5.128 4.470 -0.000 0.000 0.304 162 S C 0.007 174.377 174.600 -0.383 0.000 1.095 162 S CA -0.428 57.536 58.200 -0.393 0.000 1.089 162 S CB 0.931 64.046 63.200 -0.141 0.000 0.968 162 S HN 0.909 nan 8.310 nan 0.000 0.480 163 A N 2.560 124.950 122.820 -0.716 0.000 2.520 163 A HA 0.533 4.853 4.320 -0.000 0.000 0.245 163 A C 0.303 177.942 177.584 0.092 0.000 1.072 163 A CA 0.143 51.968 52.037 -0.352 0.000 0.761 163 A CB -0.868 17.915 19.000 -0.362 0.000 1.004 163 A HN 0.993 nan 8.150 nan 0.000 0.499 164 F N 0.232 120.280 119.950 0.163 0.000 2.411 164 F HA -0.193 4.334 4.527 -0.000 0.000 0.393 164 F C 1.128 176.977 175.800 0.081 0.000 0.576 164 F CA 0.828 58.902 58.000 0.123 0.000 1.609 164 F CB -1.959 37.100 39.000 0.099 0.000 2.186 164 F HN 0.644 nan 8.300 nan 0.000 0.274 165 S N 3.166 118.983 115.700 0.196 0.000 2.558 165 S HA 0.248 4.718 4.470 -0.000 0.000 0.293 165 S C -1.225 173.443 174.600 0.114 0.000 1.292 165 S CA -0.749 57.527 58.200 0.127 0.000 1.063 165 S CB 0.628 63.889 63.200 0.103 0.000 0.831 165 S HN 0.168 nan 8.310 nan 0.000 0.499 166 P HA 0.136 nan 4.420 nan 0.000 0.274 166 P C -0.827 176.487 177.300 0.023 0.000 1.256 166 P CA -0.442 62.693 63.100 0.058 0.000 0.795 166 P CB 0.462 32.187 31.700 0.042 0.000 1.038 167 Q N -0.546 119.266 119.800 0.020 0.000 2.354 167 Q HA 0.593 4.933 4.340 -0.000 0.000 0.244 167 Q C 0.389 176.367 176.000 -0.036 0.000 0.969 167 Q CA -0.064 55.730 55.803 -0.015 0.000 0.885 167 Q CB 0.847 29.609 28.738 0.040 0.000 1.241 167 Q HN 0.759 nan 8.270 nan 0.000 0.461 168 G N 0.654 109.397 108.800 -0.095 0.000 2.355 168 G HA2 0.337 4.297 3.960 -0.000 0.000 0.296 168 G HA3 0.337 4.297 3.960 -0.000 0.000 0.296 168 G C -1.119 173.688 174.900 -0.156 0.000 1.507 168 G CA -0.858 44.191 45.100 -0.084 0.000 0.823 168 G HN 0.484 nan 8.290 nan 0.000 0.569 169 M N 2.190 121.714 119.600 -0.126 0.000 3.101 169 M HA 0.234 4.714 4.480 -0.000 0.000 0.307 169 M C -2.483 173.704 176.300 -0.189 0.000 1.315 169 M CA -1.245 53.930 55.300 -0.209 0.000 0.734 169 M CB 1.459 33.980 32.600 -0.131 0.000 1.392 169 M HN 0.320 nan 8.290 nan 0.000 0.496 170 P HA 0.061 nan 4.420 nan 0.000 0.268 170 P C -1.031 176.188 177.300 -0.136 0.000 1.205 170 P CA 0.547 63.578 63.100 -0.116 0.000 0.771 170 P CB 0.722 32.368 31.700 -0.089 0.000 0.858 171 E N 0.986 121.129 120.200 -0.096 0.000 2.238 171 E HA 0.739 5.089 4.350 -0.000 0.000 0.267 171 E C 0.033 176.597 176.600 -0.060 0.000 0.887 171 E CA -0.963 55.388 56.400 -0.083 0.000 0.769 171 E CB 2.231 31.895 29.700 -0.061 0.000 1.187 171 E HN 0.678 nan 8.360 nan 0.000 0.416 172 G N 1.677 110.439 108.800 -0.063 0.000 2.342 172 G HA2 0.149 4.109 3.960 -0.000 0.000 0.297 172 G HA3 0.149 4.109 3.960 -0.000 0.000 0.297 172 G C -1.694 173.139 174.900 -0.113 0.000 1.313 172 G CA -0.847 44.212 45.100 -0.068 0.000 0.830 172 G HN 0.394 nan 8.290 nan 0.000 0.506 173 D N 0.537 120.864 120.400 -0.122 0.000 2.255 173 D HA 0.437 5.077 4.640 -0.000 0.000 0.249 173 D C 0.439 176.646 176.300 -0.155 0.000 1.078 173 D CA -0.015 53.865 54.000 -0.200 0.000 0.896 173 D CB 1.922 42.632 40.800 -0.150 0.000 1.194 173 D HN 0.262 nan 8.370 nan 0.000 0.429 174 L N 1.220 122.311 121.223 -0.220 0.000 2.395 174 L HA 0.314 4.654 4.340 -0.000 0.000 0.269 174 L C -0.031 176.836 176.870 -0.006 0.000 1.133 174 L CA -0.576 54.215 54.840 -0.081 0.000 0.812 174 L CB 1.017 43.040 42.059 -0.060 0.000 1.125 174 L HN -0.017 nan 8.230 nan 0.000 0.452 175 V N 2.494 122.448 119.914 0.067 0.000 2.588 175 V HA 0.225 4.345 4.120 -0.000 0.000 0.304 175 V C -0.861 175.347 176.094 0.190 0.000 1.042 175 V CA -0.694 61.679 62.300 0.122 0.000 0.877 175 V CB 1.793 33.683 31.823 0.112 0.000 0.996 175 V HN 0.450 nan 8.190 nan 0.000 0.425 176 Y N 5.657 126.025 120.300 0.114 0.000 2.327 176 Y HA 0.507 5.056 4.550 -0.001 0.000 0.336 176 Y C 0.610 176.614 175.900 0.175 0.000 1.035 176 Y CA -0.612 57.572 58.100 0.139 0.000 1.165 176 Y CB 1.714 40.283 38.460 0.182 0.000 1.181 176 Y HN 0.424 nan 8.280 nan 0.000 0.494 177 V N 3.041 122.632 119.914 -0.539 0.000 2.988 177 V HA 0.320 4.440 4.120 -0.000 0.000 0.356 177 V C 0.593 175.985 176.094 -1.169 0.000 1.380 177 V CA 0.130 62.042 62.300 -0.647 0.000 1.184 177 V CB -1.203 30.272 31.823 -0.581 0.000 1.204 177 V HN 0.974 nan 8.190 nan 0.000 0.530 178 N N 1.571 119.184 118.700 -1.812 0.000 1.222 178 N HA -0.337 4.403 4.740 -0.000 0.000 0.134 178 N C 0.300 175.256 175.510 -0.923 0.000 0.787 178 N CA 2.635 54.730 53.050 -1.591 0.000 0.929 178 N CB -1.339 35.836 38.487 -2.186 0.000 1.170 178 N HN 0.461 nan 8.380 nan 0.000 0.541 179 Y N 1.285 121.233 120.300 -0.587 0.000 2.471 179 Y HA 0.500 5.050 4.550 -0.000 0.000 0.286 179 Y C 1.565 177.314 175.900 -0.252 0.000 1.188 179 Y CA 1.010 58.922 58.100 -0.314 0.000 1.286 179 Y CB -0.430 37.895 38.460 -0.226 0.000 1.072 179 Y HN 0.632 nan 8.280 nan 0.000 0.517 180 A N 0.284 122.952 122.820 -0.255 0.000 2.832 180 A HA -0.294 4.025 4.320 -0.000 0.000 0.280 180 A C 0.712 178.374 177.584 0.130 0.000 1.464 180 A CA 0.672 52.649 52.037 -0.100 0.000 0.804 180 A CB -2.077 16.985 19.000 0.104 0.000 1.020 180 A HN 0.522 nan 8.150 nan 0.000 0.563 181 R N -1.033 119.476 120.500 0.014 0.000 2.637 181 R HA 0.449 4.788 4.340 -0.000 0.000 0.269 181 R C 1.687 178.057 176.300 0.117 0.000 1.089 181 R CA 0.105 56.245 56.100 0.066 0.000 1.177 181 R CB 0.139 30.443 30.300 0.006 0.000 1.091 181 R HN 0.346 nan 8.270 nan 0.000 0.540 182 T N 1.500 116.084 114.554 0.050 0.000 2.699 182 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 182 T C 1.552 176.053 174.700 -0.332 0.000 1.036 182 T CA 1.933 63.962 62.100 -0.119 0.000 1.147 182 T CB -0.150 68.633 68.868 -0.142 0.000 0.862 182 T HN 0.694 nan 8.240 nan 0.000 0.446 183 E N 1.348 121.461 120.200 -0.145 0.000 2.274 183 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 183 E C 1.256 177.943 176.600 0.145 0.000 0.996 183 E CA 1.018 57.431 56.400 0.022 0.000 0.840 183 E CB -0.296 29.485 29.700 0.136 0.000 0.772 183 E HN 0.449 nan 8.360 nan 0.000 0.491 184 D N 0.603 121.036 120.400 0.055 0.000 2.123 184 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 184 D C 1.821 178.160 176.300 0.065 0.000 0.976 184 D CA 0.845 54.872 54.000 0.045 0.000 0.831 184 D CB -0.462 40.113 40.800 -0.376 0.000 0.974 184 D HN 0.235 nan 8.370 nan 0.000 0.469 185 F N 0.265 120.282 119.950 0.111 0.000 2.186 185 F HA -0.122 4.405 4.527 -0.001 0.000 0.299 185 F C 2.213 178.171 175.800 0.263 0.000 1.090 185 F CA 0.437 58.523 58.000 0.143 0.000 1.307 185 F CB -0.229 38.806 39.000 0.059 0.000 1.019 185 F HN -0.138 nan 8.300 nan 0.000 0.489 186 F N 0.973 121.101 119.950 0.296 0.000 2.095 186 F HA -0.217 4.309 4.527 -0.000 0.000 0.298 186 F C 2.434 178.326 175.800 0.153 0.000 1.104 186 F CA 1.381 59.500 58.000 0.199 0.000 1.232 186 F CB -1.296 37.804 39.000 0.165 0.000 0.987 186 F HN -0.075 nan 8.300 nan 0.000 0.475 187 K N 0.449 121.072 120.400 0.373 0.000 2.026 187 K HA -0.164 4.155 4.320 -0.000 0.000 0.208 187 K C 2.149 178.817 176.600 0.113 0.000 1.048 187 K CA 1.225 57.639 56.287 0.211 0.000 0.929 187 K CB -0.362 32.282 32.500 0.239 0.000 0.713 187 K HN 0.214 nan 8.250 nan 0.000 0.439 188 L N 0.614 121.930 121.223 0.154 0.000 1.994 188 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 188 L C 2.769 179.710 176.870 0.118 0.000 1.071 188 L CA 1.873 56.771 54.840 0.097 0.000 0.745 188 L CB -0.426 41.724 42.059 0.151 0.000 0.892 188 L HN 0.423 nan 8.230 nan 0.000 0.431 189 E N -0.047 120.269 120.200 0.192 0.000 2.076 189 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 189 E C 2.356 179.022 176.600 0.109 0.000 0.979 189 E CA 0.651 57.149 56.400 0.163 0.000 0.807 189 E CB 0.207 30.034 29.700 0.211 0.000 0.761 189 E HN 0.368 nan 8.360 nan 0.000 0.454 190 R N 0.075 120.644 120.500 0.115 0.000 2.090 190 R HA 0.001 4.341 4.340 -0.000 0.000 0.219 190 R C 1.660 177.978 176.300 0.029 0.000 1.100 190 R CA 1.343 57.474 56.100 0.052 0.000 0.991 190 R CB 0.123 30.431 30.300 0.014 0.000 0.893 190 R HN 0.172 nan 8.270 nan 0.000 0.443 191 D N 0.040 120.461 120.400 0.034 0.000 2.338 191 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 191 D C 1.748 178.038 176.300 -0.016 0.000 0.967 191 D CA 1.039 55.040 54.000 0.003 0.000 0.896 191 D CB 0.173 40.971 40.800 -0.003 0.000 1.028 191 D HN 0.116 nan 8.370 nan 0.000 0.493 192 M N -0.140 119.447 119.600 -0.023 0.000 2.509 192 M HA 0.090 4.570 4.480 -0.000 0.000 0.250 192 M C -0.168 176.125 176.300 -0.012 0.000 1.132 192 M CA 0.117 55.390 55.300 -0.044 0.000 1.080 192 M CB 0.296 32.838 32.600 -0.097 0.000 1.408 192 M HN -0.280 nan 8.290 nan 0.000 0.484 193 K N 1.172 121.580 120.400 0.014 0.000 3.096 193 K HA -0.130 4.189 4.320 -0.000 0.000 0.266 193 K C -0.987 175.632 176.600 0.032 0.000 1.043 193 K CA 0.543 56.846 56.287 0.026 0.000 0.758 193 K CB -1.964 30.545 32.500 0.015 0.000 1.260 193 K HN 0.367 nan 8.250 nan 0.000 0.481 194 I N 0.727 121.322 120.570 0.043 0.000 2.353 194 I HA 0.150 4.320 4.170 -0.000 0.000 0.293 194 I C 0.451 176.618 176.117 0.083 0.000 0.992 194 I CA -0.842 60.490 61.300 0.053 0.000 1.268 194 I CB 1.204 39.232 38.000 0.047 0.000 1.387 194 I HN 0.121 nan 8.210 nan 0.000 0.478 195 N N 5.257 124.000 118.700 0.072 0.000 2.425 195 N HA 0.192 4.932 4.740 -0.000 0.000 0.268 195 N C 0.061 175.623 175.510 0.086 0.000 0.991 195 N CA -0.453 52.644 53.050 0.079 0.000 0.931 195 N CB 1.369 39.888 38.487 0.054 0.000 1.130 195 N HN 0.614 nan 8.380 nan 0.000 0.493 196 C N 1.155 120.525 119.300 0.116 0.000 2.626 196 C HA 0.192 4.652 4.460 -0.000 0.000 0.266 196 C C 1.337 176.369 174.990 0.070 0.000 1.317 196 C CA -0.288 58.802 59.018 0.119 0.000 1.716 196 C CB -1.556 26.306 27.740 0.203 0.000 1.819 196 C HN 0.731 nan 8.230 nan 0.000 0.578 197 S N 0.488 116.219 115.700 0.051 0.000 2.546 197 S HA 0.372 4.842 4.470 -0.000 0.000 0.290 197 S C 1.321 175.932 174.600 0.019 0.000 1.262 197 S CA 1.216 59.432 58.200 0.028 0.000 1.083 197 S CB -0.177 63.037 63.200 0.023 0.000 0.859 197 S HN 1.087 nan 8.310 nan 0.000 0.495 198 G N 4.109 112.915 108.800 0.010 0.000 2.162 198 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 198 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 198 G C -0.010 174.889 174.900 -0.001 0.000 0.976 198 G CA 0.239 45.340 45.100 0.001 0.000 0.655 198 G HN 0.654 nan 8.290 nan 0.000 0.533 199 K N -0.118 120.289 120.400 0.011 0.000 2.123 199 K HA 0.660 4.980 4.320 -0.000 0.000 0.248 199 K C 0.455 177.061 176.600 0.011 0.000 0.969 199 K CA -0.923 55.368 56.287 0.008 0.000 0.882 199 K CB 1.678 34.195 32.500 0.028 0.000 1.080 199 K HN 0.217 nan 8.250 nan 0.000 0.441 200 I N 1.953 122.522 120.570 -0.002 0.000 2.365 200 I HA 0.075 4.245 4.170 -0.000 0.000 0.291 200 I C 0.307 176.449 176.117 0.041 0.000 1.004 200 I CA -0.869 60.436 61.300 0.008 0.000 1.311 200 I CB 1.293 39.285 38.000 -0.014 0.000 1.401 200 I HN 0.237 nan 8.210 nan 0.000 0.491 201 V N 5.705 125.660 119.914 0.068 0.000 2.532 201 V HA 0.605 4.725 4.120 -0.000 0.000 0.295 201 V C -0.450 175.705 176.094 0.100 0.000 1.041 201 V CA -0.682 61.679 62.300 0.103 0.000 0.926 201 V CB 1.903 33.822 31.823 0.160 0.000 0.992 201 V HN 0.667 nan 8.190 nan 0.000 0.457 202 I N 3.956 124.608 120.570 0.138 0.000 2.406 202 I HA 0.864 5.034 4.170 -0.000 0.000 0.290 202 I C 0.016 176.266 176.117 0.222 0.000 0.999 202 I CA -0.520 60.892 61.300 0.186 0.000 1.124 202 I CB 1.328 39.450 38.000 0.203 0.000 1.289 202 I HN 1.098 nan 8.210 nan 0.000 0.441 203 A N 7.389 130.308 122.820 0.164 0.000 2.414 203 A HA 0.707 5.027 4.320 -0.000 0.000 0.306 203 A C -0.829 176.746 177.584 -0.014 0.000 1.054 203 A CA -0.882 51.167 52.037 0.020 0.000 0.724 203 A CB 1.221 20.174 19.000 -0.077 0.000 1.267 203 A HN 0.820 nan 8.150 nan 0.000 0.418 204 R N 1.501 121.904 120.500 -0.162 0.000 2.441 204 R HA 0.456 4.796 4.340 -0.000 0.000 0.284 204 R C -1.082 175.144 176.300 -0.123 0.000 1.070 204 R CA -0.335 55.483 56.100 -0.471 0.000 1.047 204 R CB 0.457 30.418 30.300 -0.564 0.000 1.016 204 R HN 0.648 nan 8.270 nan 0.000 0.477 205 Y N 1.004 121.246 120.300 -0.096 0.000 2.426 205 Y HA 0.308 4.858 4.550 -0.001 0.000 0.344 205 Y C 1.378 177.492 175.900 0.357 0.000 1.256 205 Y CA 1.446 59.624 58.100 0.130 0.000 1.451 205 Y CB 1.169 39.675 38.460 0.077 0.000 1.342 205 Y HN 1.025 nan 8.280 nan 0.000 0.600 206 G N 1.435 110.537 108.800 0.502 0.000 2.392 206 G HA2 0.051 4.011 3.960 -0.000 0.000 0.677 206 G HA3 0.051 4.011 3.960 -0.000 0.000 0.677 206 G C -0.278 174.608 174.900 -0.024 0.000 1.334 206 G CA -0.457 44.777 45.100 0.223 0.000 0.961 206 G HN 0.523 nan 8.290 nan 0.000 0.616 207 K N -3.505 116.771 120.400 -0.206 0.000 5.503 207 K HA -0.270 4.050 4.320 -0.000 0.000 0.447 207 K C 1.055 177.626 176.600 -0.047 0.000 0.396 207 K CA 2.952 59.074 56.287 -0.275 0.000 1.904 207 K CB -2.424 29.718 32.500 -0.596 0.000 0.786 207 K HN 2.332 nan 8.250 nan 0.000 0.639 208 V N -2.514 117.431 119.914 0.051 0.000 3.130 208 V HA 0.718 4.838 4.120 -0.000 0.000 0.310 208 V C 0.101 176.301 176.094 0.177 0.000 1.158 208 V CA -1.114 61.261 62.300 0.124 0.000 1.029 208 V CB 1.900 33.761 31.823 0.063 0.000 1.057 208 V HN 0.154 nan 8.190 nan 0.000 0.436 209 F N 3.474 123.313 119.950 -0.184 0.000 2.607 209 F HA 0.332 4.859 4.527 -0.000 0.000 0.374 209 F C 1.861 177.604 175.800 -0.095 0.000 1.104 209 F CA 0.308 58.048 58.000 -0.433 0.000 1.296 209 F CB 0.976 39.494 39.000 -0.803 0.000 1.085 209 F HN 0.863 nan 8.300 nan 0.000 0.584 210 R N 3.280 123.388 120.500 -0.653 0.000 2.152 210 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 210 R C 1.840 177.715 176.300 -0.707 0.000 1.117 210 R CA 1.359 57.169 56.100 -0.482 0.000 0.981 210 R CB -1.262 28.957 30.300 -0.135 0.000 0.870 210 R HN 0.778 nan 8.270 nan 0.000 0.451 211 G N 1.056 108.961 108.800 -1.492 0.000 2.422 211 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 211 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 211 G C 0.914 175.660 174.900 -0.256 0.000 1.146 211 G CA 0.886 45.572 45.100 -0.690 0.000 0.769 211 G HN 0.428 nan 8.290 nan 0.000 0.547 212 N N 0.384 118.986 118.700 -0.163 0.000 2.188 212 N HA -0.022 4.718 4.740 -0.000 0.000 0.184 212 N C 2.104 177.585 175.510 -0.049 0.000 1.018 212 N CA 1.039 54.072 53.050 -0.029 0.000 0.858 212 N CB -0.088 38.422 38.487 0.038 0.000 0.989 212 N HN 0.298 nan 8.380 nan 0.000 0.426 213 K N 0.239 120.596 120.400 -0.072 0.000 2.032 213 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 213 K C 1.779 178.365 176.600 -0.023 0.000 1.048 213 K CA 1.099 57.382 56.287 -0.006 0.000 0.927 213 K CB -0.268 32.210 32.500 -0.037 0.000 0.712 213 K HN 0.024 nan 8.250 nan 0.000 0.441 214 V N 1.752 121.612 119.914 -0.091 0.000 2.453 214 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 214 V C 2.359 178.400 176.094 -0.088 0.000 1.048 214 V CA 1.547 63.798 62.300 -0.081 0.000 1.049 214 V CB -0.376 31.390 31.823 -0.096 0.000 0.672 214 V HN 0.328 nan 8.190 nan 0.000 0.457 215 K N 0.415 120.762 120.400 -0.089 0.000 2.063 215 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 215 K C 2.009 178.519 176.600 -0.151 0.000 1.048 215 K CA 1.958 58.189 56.287 -0.094 0.000 0.928 215 K CB -0.168 32.291 32.500 -0.070 0.000 0.713 215 K HN 0.428 nan 8.250 nan 0.000 0.442 216 N N 0.735 119.332 118.700 -0.171 0.000 2.120 216 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 216 N C 1.655 176.735 175.510 -0.715 0.000 1.024 216 N CA 1.473 54.313 53.050 -0.351 0.000 0.852 216 N CB -0.472 37.923 38.487 -0.153 0.000 1.003 216 N HN 0.325 nan 8.380 nan 0.000 0.424 217 A N 1.078 123.632 122.820 -0.444 0.000 1.898 217 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 217 A C 2.162 179.595 177.584 -0.251 0.000 1.181 217 A CA 1.146 52.970 52.037 -0.356 0.000 0.620 217 A CB -0.531 18.469 19.000 -0.000 0.000 0.819 217 A HN 0.301 nan 8.150 nan 0.000 0.442 218 Q N -0.413 119.282 119.800 -0.175 0.000 2.061 218 Q HA -0.119 4.220 4.340 -0.000 0.000 0.204 218 Q C 2.054 177.975 176.000 -0.133 0.000 0.984 218 Q CA 1.517 57.249 55.803 -0.118 0.000 0.846 218 Q CB -0.341 28.344 28.738 -0.087 0.000 0.902 218 Q HN 0.681 nan 8.270 nan 0.000 0.421 219 L N -0.058 121.059 121.223 -0.175 0.000 2.191 219 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 219 L C 2.209 178.987 176.870 -0.153 0.000 1.103 219 L CA 0.692 55.445 54.840 -0.145 0.000 0.769 219 L CB -0.445 41.534 42.059 -0.134 0.000 0.908 219 L HN 0.179 nan 8.230 nan 0.000 0.438 220 A N -0.362 122.299 122.820 -0.265 0.000 2.235 220 A HA 0.232 4.552 4.320 -0.000 0.000 0.208 220 A C 1.754 179.302 177.584 -0.059 0.000 1.172 220 A CA 0.827 52.760 52.037 -0.174 0.000 0.786 220 A CB -0.461 18.355 19.000 -0.307 0.000 0.804 220 A HN 0.537 nan 8.150 nan 0.000 0.479 221 G N -2.083 106.678 108.800 -0.065 0.000 2.141 221 G HA2 0.108 4.068 3.960 -0.000 0.000 0.242 221 G HA3 0.108 4.068 3.960 -0.000 0.000 0.242 221 G C 0.434 175.327 174.900 -0.012 0.000 0.982 221 G CA 0.273 45.358 45.100 -0.026 0.000 0.662 221 G HN 1.561 nan 8.290 nan 0.000 0.527 222 A N 0.151 122.961 122.820 -0.016 0.000 2.466 222 A HA 0.605 4.925 4.320 -0.000 0.000 0.238 222 A C 1.313 178.893 177.584 -0.007 0.000 1.074 222 A CA 1.155 53.197 52.037 0.009 0.000 0.774 222 A CB 0.296 19.312 19.000 0.026 0.000 1.015 222 A HN 1.188 nan 8.150 nan 0.000 0.498 223 K N 1.073 121.470 120.400 -0.005 0.000 2.358 223 K HA 0.423 4.742 4.320 -0.000 0.000 0.197 223 K C 0.436 177.023 176.600 -0.022 0.000 1.025 223 K CA 0.542 56.819 56.287 -0.016 0.000 1.104 223 K CB 0.237 32.725 32.500 -0.020 0.000 0.855 223 K HN 0.986 nan 8.250 nan 0.000 0.531 224 G N 0.219 109.011 108.800 -0.013 0.000 2.489 224 G HA2 0.419 4.379 3.960 -0.000 0.000 0.291 224 G HA3 0.419 4.379 3.960 -0.000 0.000 0.291 224 G C -1.946 172.956 174.900 0.004 0.000 1.487 224 G CA -0.689 44.401 45.100 -0.015 0.000 0.795 224 G HN -0.050 nan 8.290 nan 0.000 0.513 225 V N 0.778 120.694 119.914 0.003 0.000 2.638 225 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 225 V C -0.403 175.699 176.094 0.014 0.000 1.052 225 V CA -0.594 61.713 62.300 0.012 0.000 0.885 225 V CB 1.768 33.586 31.823 -0.009 0.000 0.999 225 V HN 0.679 nan 8.190 nan 0.000 0.424 226 I N 5.406 125.995 120.570 0.032 0.000 2.362 226 I HA 0.466 4.635 4.170 -0.000 0.000 0.289 226 I C -0.658 175.465 176.117 0.010 0.000 0.994 226 I CA -0.344 60.984 61.300 0.047 0.000 1.158 226 I CB 1.498 39.552 38.000 0.090 0.000 1.315 226 I HN 0.345 nan 8.210 nan 0.000 0.451 227 L N 7.505 128.661 121.223 -0.111 0.000 2.309 227 L HA 0.549 4.889 4.340 -0.000 0.000 0.282 227 L C -0.796 175.968 176.870 -0.175 0.000 1.036 227 L CA -0.804 53.825 54.840 -0.351 0.000 0.806 227 L CB 1.225 42.761 42.059 -0.872 0.000 1.220 227 L HN 0.531 nan 8.230 nan 0.000 0.429 228 Y N -0.145 120.022 120.300 -0.222 0.000 2.588 228 Y HA 0.612 5.162 4.550 -0.000 0.000 0.343 228 Y C -0.879 175.149 175.900 0.213 0.000 1.065 228 Y CA -1.121 56.999 58.100 0.033 0.000 1.038 228 Y CB 1.615 40.123 38.460 0.080 0.000 1.297 228 Y HN 0.347 nan 8.280 nan 0.000 0.467 229 S N 2.923 118.749 115.700 0.210 0.000 2.410 229 S HA 0.120 4.590 4.470 -0.000 0.000 0.304 229 S C -0.917 173.869 174.600 0.310 0.000 1.095 229 S CA -0.676 57.600 58.200 0.127 0.000 1.089 229 S CB 0.104 63.267 63.200 -0.062 0.000 0.968 229 S HN 0.671 nan 8.310 nan 0.000 0.480 230 D N 3.231 123.727 120.400 0.159 0.000 2.304 230 D HA 0.178 4.818 4.640 -0.000 0.000 0.250 230 D C -1.708 174.693 176.300 0.168 0.000 1.107 230 D CA -2.062 52.082 54.000 0.239 0.000 0.885 230 D CB 1.552 42.437 40.800 0.143 0.000 1.192 230 D HN 0.118 nan 8.370 nan 0.000 0.436 231 P HA -0.106 nan 4.420 nan 0.000 0.219 231 P C 0.937 178.242 177.300 0.008 0.000 1.146 231 P CA 1.008 63.978 63.100 -0.217 0.000 0.808 231 P CB 0.118 31.442 31.700 -0.627 0.000 0.779 232 A N 0.030 122.859 122.820 0.015 0.000 1.986 232 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 232 A C 1.839 179.446 177.584 0.039 0.000 1.171 232 A CA 2.080 54.136 52.037 0.031 0.000 0.640 232 A CB -1.008 17.997 19.000 0.008 0.000 0.811 232 A HN 0.171 nan 8.150 nan 0.000 0.451 233 D N -3.439 116.975 120.400 0.023 0.000 2.417 233 D HA 0.146 4.786 4.640 -0.000 0.000 0.207 233 D C -0.133 175.860 176.300 -0.512 0.000 1.075 233 D CA 0.467 54.348 54.000 -0.198 0.000 0.851 233 D CB 0.263 40.955 40.800 -0.181 0.000 0.976 233 D HN 0.620 nan 8.370 nan 0.000 0.505 234 Y N -0.658 119.724 120.300 0.136 0.000 2.779 234 Y HA 0.254 4.804 4.550 -0.000 0.000 0.251 234 Y C -0.581 175.364 175.900 0.075 0.000 1.145 234 Y CA -0.576 57.588 58.100 0.106 0.000 1.201 234 Y CB 0.792 39.332 38.460 0.134 0.000 1.281 234 Y HN -0.217 nan 8.280 nan 0.000 0.563 235 F N 1.421 121.340 119.950 -0.051 0.000 2.828 235 F HA 0.756 5.282 4.527 -0.000 0.000 0.355 235 F C -0.353 175.337 175.800 -0.183 0.000 1.200 235 F CA -1.282 56.628 58.000 -0.150 0.000 1.062 235 F CB 0.569 39.475 39.000 -0.157 0.000 1.351 235 F HN -0.046 nan 8.300 nan 0.000 0.504 236 A N 6.857 129.355 122.820 -0.537 0.000 2.450 236 A HA 0.545 4.865 4.320 -0.000 0.000 0.255 236 A C -2.572 174.836 177.584 -0.294 0.000 1.096 236 A CA -1.377 50.467 52.037 -0.321 0.000 0.778 236 A CB -0.330 18.374 19.000 -0.493 0.000 1.031 236 A HN 0.498 nan 8.150 nan 0.000 0.494 237 P HA 0.245 nan 4.420 nan 0.000 0.265 237 P C 1.055 178.307 177.300 -0.080 0.000 1.193 237 P CA 1.817 64.927 63.100 0.017 0.000 0.765 237 P CB 0.685 32.414 31.700 0.049 0.000 0.823 238 G N 0.847 109.612 108.800 -0.058 0.000 2.159 238 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.256 238 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.256 238 G C -0.036 174.742 174.900 -0.204 0.000 0.977 238 G CA -0.061 44.986 45.100 -0.089 0.000 0.652 238 G HN 0.528 nan 8.290 nan 0.000 0.531 239 V N 0.852 120.515 119.914 -0.417 0.000 2.715 239 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 239 V C 0.204 175.914 176.094 -0.639 0.000 1.054 239 V CA -1.392 60.517 62.300 -0.651 0.000 0.928 239 V CB 1.974 33.061 31.823 -1.226 0.000 1.007 239 V HN 0.155 nan 8.190 nan 0.000 0.437 240 K N 1.397 121.495 120.400 -0.505 0.000 2.118 240 K HA 0.489 4.809 4.320 -0.000 0.000 0.264 240 K C 0.222 176.581 176.600 -0.401 0.000 1.000 240 K CA -0.201 55.893 56.287 -0.321 0.000 0.929 240 K CB 1.364 33.744 32.500 -0.200 0.000 1.021 240 K HN 0.701 nan 8.250 nan 0.000 0.463 241 S N 1.016 116.625 115.700 -0.151 0.000 2.579 241 S HA 0.001 4.470 4.470 -0.000 0.000 0.275 241 S C -0.108 174.408 174.600 -0.139 0.000 1.345 241 S CA -0.336 57.810 58.200 -0.089 0.000 1.031 241 S CB 0.050 63.291 63.200 0.068 0.000 0.892 241 S HN 0.367 nan 8.310 nan 0.000 0.529 242 Y N 4.539 124.706 120.300 -0.222 0.000 2.712 242 Y HA 0.091 4.641 4.550 -0.001 0.000 0.333 242 Y C -1.127 174.683 175.900 -0.150 0.000 1.225 242 Y CA -1.137 56.862 58.100 -0.169 0.000 1.499 242 Y CB 0.597 38.947 38.460 -0.183 0.000 1.288 242 Y HN 0.443 nan 8.280 nan 0.000 0.575 243 P HA 0.036 nan 4.420 nan 0.000 0.255 243 P C -0.220 176.866 177.300 -0.356 0.000 1.248 243 P CA 0.657 63.113 63.100 -1.074 0.000 0.807 243 P CB 0.568 31.927 31.700 -0.569 0.000 1.150 244 D N -0.157 120.117 120.400 -0.209 0.000 2.360 244 D HA 0.191 4.831 4.640 -0.000 0.000 0.210 244 D C 1.294 177.477 176.300 -0.196 0.000 1.047 244 D CA 0.615 54.594 54.000 -0.035 0.000 0.854 244 D CB 1.080 41.855 40.800 -0.043 0.000 0.936 244 D HN 0.237 nan 8.370 nan 0.000 0.514 245 G N 0.087 108.514 108.800 -0.622 0.000 2.561 245 G HA2 0.229 4.188 3.960 -0.000 0.000 0.310 245 G HA3 0.229 4.188 3.960 -0.000 0.000 0.310 245 G C -0.885 173.460 174.900 -0.925 0.000 1.292 245 G CA -0.647 43.749 45.100 -1.173 0.000 0.811 245 G HN 0.102 nan 8.290 nan 0.000 0.482 246 W N 0.582 121.456 121.300 -0.709 0.000 3.239 246 W HA 0.405 5.065 4.660 -0.001 0.000 0.368 246 W C -0.492 175.920 176.519 -0.178 0.000 1.154 246 W CA -0.705 56.472 57.345 -0.281 0.000 1.860 246 W CB -0.457 28.889 29.460 -0.189 0.000 1.094 246 W HN 0.075 nan 8.180 nan 0.000 0.643 247 N N 1.839 120.278 118.700 -0.435 0.000 2.483 247 N HA 0.176 4.916 4.740 -0.000 0.000 0.269 247 N C -0.676 174.803 175.510 -0.052 0.000 1.209 247 N CA -0.560 52.240 53.050 -0.416 0.000 0.969 247 N CB 1.417 39.303 38.487 -1.002 0.000 1.173 247 N HN -0.045 nan 8.380 nan 0.000 0.475 248 L N 3.506 124.799 121.223 0.116 0.000 2.361 248 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 248 L C -2.131 174.901 176.870 0.270 0.000 1.113 248 L CA -1.281 53.691 54.840 0.220 0.000 0.849 248 L CB 0.422 42.665 42.059 0.306 0.000 1.155 248 L HN 0.453 nan 8.230 nan 0.000 0.452 249 P HA 0.176 nan 4.420 nan 0.000 0.274 249 P C 0.519 177.467 177.300 -0.587 0.000 1.256 249 P CA -0.288 62.734 63.100 -0.130 0.000 0.795 249 P CB 0.563 32.133 31.700 -0.216 0.000 1.038 250 G N 0.360 108.424 108.800 -1.226 0.000 2.471 250 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 250 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 250 G C 1.428 175.529 174.900 -1.332 0.000 1.125 250 G CA 0.726 44.319 45.100 -2.512 0.000 0.775 250 G HN 0.649 nan 8.290 nan 0.000 0.548 251 G N 0.087 108.535 108.800 -0.586 0.000 2.880 251 G HA2 0.381 4.341 3.960 -0.000 0.000 0.209 251 G HA3 0.381 4.341 3.960 -0.000 0.000 0.209 251 G C 0.866 175.768 174.900 0.004 0.000 1.157 251 G CA 0.412 45.446 45.100 -0.111 0.000 0.779 251 G HN 0.581 nan 8.290 nan 0.000 0.539 252 G N -0.401 108.406 108.800 0.013 0.000 2.483 252 G HA2 0.445 4.405 3.960 -0.000 0.000 0.248 252 G HA3 0.445 4.405 3.960 -0.000 0.000 0.248 252 G C -1.031 173.886 174.900 0.027 0.000 1.248 252 G CA -0.049 45.164 45.100 0.188 0.000 0.838 252 G HN 0.252 nan 8.290 nan 0.000 0.566 253 V N 1.347 121.263 119.914 0.002 0.000 2.808 253 V HA 0.324 4.444 4.120 -0.000 0.000 0.308 253 V C -0.258 175.757 176.094 -0.132 0.000 1.099 253 V CA -0.866 61.403 62.300 -0.051 0.000 0.920 253 V CB 1.960 33.751 31.823 -0.053 0.000 1.014 253 V HN 0.849 nan 8.190 nan 0.000 0.425 254 Q N 3.782 123.463 119.800 -0.198 0.000 2.337 254 Q HA 0.441 4.781 4.340 -0.000 0.000 0.255 254 Q C -0.034 175.741 176.000 -0.375 0.000 0.997 254 Q CA -0.460 55.117 55.803 -0.376 0.000 0.925 254 Q CB 0.802 29.089 28.738 -0.751 0.000 1.212 254 Q HN 0.634 nan 8.270 nan 0.000 0.436 255 R N 1.491 121.682 120.500 -0.515 0.000 2.738 255 R HA 0.676 5.015 4.340 -0.000 0.000 0.275 255 R C -0.125 175.637 176.300 -0.897 0.000 1.121 255 R CA 0.584 56.155 56.100 -0.882 0.000 1.207 255 R CB 0.888 30.346 30.300 -1.403 0.000 1.141 255 R HN 0.849 nan 8.270 nan 0.000 0.571 256 G N 0.349 108.467 108.800 -1.137 0.000 2.368 256 G HA2 0.026 3.985 3.960 -0.000 0.000 0.303 256 G HA3 0.026 3.985 3.960 -0.000 0.000 0.303 256 G C -1.690 173.010 174.900 -0.334 0.000 1.590 256 G CA -1.052 43.738 45.100 -0.516 0.000 0.938 256 G HN 0.733 nan 8.290 nan 0.000 0.675 257 N N -0.948 117.768 118.700 0.027 0.000 2.467 257 N HA 0.534 5.274 4.740 -0.000 0.000 0.262 257 N C 0.883 176.442 175.510 0.081 0.000 1.234 257 N CA -0.202 52.917 53.050 0.116 0.000 0.952 257 N CB 1.045 39.746 38.487 0.355 0.000 1.158 257 N HN 0.952 nan 8.380 nan 0.000 0.463 258 I N -2.206 118.410 120.570 0.078 0.000 3.569 258 I HA 0.333 4.503 4.170 -0.000 0.000 0.334 258 I C -0.681 175.445 176.117 0.015 0.000 1.570 258 I CA -0.708 60.555 61.300 -0.062 0.000 1.082 258 I CB -0.166 37.786 38.000 -0.079 0.000 1.323 258 I HN 0.262 nan 8.210 nan 0.000 0.489 259 L N 1.316 122.602 121.223 0.105 0.000 2.466 259 L HA 0.353 4.693 4.340 -0.000 0.000 0.257 259 L C 0.437 177.375 176.870 0.113 0.000 1.189 259 L CA -0.101 54.754 54.840 0.025 0.000 0.813 259 L CB 0.360 42.354 42.059 -0.109 0.000 1.118 259 L HN 0.327 nan 8.230 nan 0.000 0.471 260 N N 1.977 120.694 118.700 0.028 0.000 2.844 260 N HA 0.231 4.971 4.740 -0.000 0.000 0.268 260 N C 0.481 175.974 175.510 -0.029 0.000 1.574 260 N CA -0.065 53.012 53.050 0.045 0.000 0.838 260 N CB 1.189 39.688 38.487 0.020 0.000 1.177 260 N HN 0.544 nan 8.380 nan 0.000 0.495 261 L N 0.316 121.506 121.223 -0.055 0.000 2.341 261 L HA 0.048 4.387 4.340 -0.000 0.000 0.214 261 L C 0.309 177.091 176.870 -0.147 0.000 1.115 261 L CA 0.228 54.999 54.840 -0.114 0.000 0.820 261 L CB -0.171 41.799 42.059 -0.150 0.000 0.944 261 L HN 0.333 nan 8.230 nan 0.000 0.452 262 N N 0.889 119.497 118.700 -0.152 0.000 2.710 262 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 262 N C 0.996 176.059 175.510 -0.744 0.000 1.059 262 N CA 1.088 53.883 53.050 -0.425 0.000 0.720 262 N CB -1.414 36.849 38.487 -0.374 0.000 0.983 262 N HN 0.618 nan 8.380 nan 0.000 0.544 263 G N -2.381 106.208 108.800 -0.352 0.000 2.176 263 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 263 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 263 G C 0.965 175.651 174.900 -0.357 0.000 0.986 263 G CA 0.757 45.698 45.100 -0.266 0.000 0.643 263 G HN 0.948 nan 8.290 nan 0.000 0.522 264 A N -0.169 122.450 122.820 -0.335 0.000 2.066 264 A HA 0.546 4.865 4.320 -0.000 0.000 0.218 264 A C 2.658 179.914 177.584 -0.546 0.000 1.157 264 A CA 2.194 53.893 52.037 -0.564 0.000 0.670 264 A CB -0.507 18.372 19.000 -0.202 0.000 0.804 264 A HN 2.651 nan 8.150 nan 0.000 0.453 265 G N -0.256 108.318 108.800 -0.377 0.000 2.512 265 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.240 265 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.240 265 G C -0.223 174.531 174.900 -0.245 0.000 1.246 265 G CA 0.154 45.060 45.100 -0.324 0.000 0.919 265 G HN 0.904 nan 8.290 nan 0.000 0.577 266 D N 1.637 121.910 120.400 -0.212 0.000 2.586 266 D HA 0.309 4.948 4.640 -0.000 0.000 0.234 266 D C -0.515 175.701 176.300 -0.140 0.000 1.132 266 D CA -0.301 53.614 54.000 -0.142 0.000 0.860 266 D CB 0.830 41.564 40.800 -0.110 0.000 1.159 266 D HN 0.087 nan 8.370 nan 0.000 0.490 267 P HA -0.105 nan 4.420 nan 0.000 0.219 267 P C 0.944 178.203 177.300 -0.068 0.000 1.146 267 P CA 1.080 64.104 63.100 -0.126 0.000 0.808 267 P CB 0.130 31.738 31.700 -0.153 0.000 0.779 268 L N -2.153 119.039 121.223 -0.053 0.000 2.567 268 L HA 0.121 4.460 4.340 -0.000 0.000 0.225 268 L C 0.709 177.569 176.870 -0.017 0.000 1.119 268 L CA 0.866 55.682 54.840 -0.039 0.000 0.871 268 L CB -0.539 41.490 42.059 -0.049 0.000 1.036 268 L HN 0.043 nan 8.230 nan 0.000 0.459 269 T N -2.757 111.788 114.554 -0.015 0.000 3.741 269 T HA 0.279 4.629 4.350 -0.000 0.000 0.242 269 T C -2.659 172.057 174.700 0.027 0.000 1.042 269 T CA -1.428 60.699 62.100 0.043 0.000 1.278 269 T CB 0.156 69.034 68.868 0.017 0.000 0.994 269 T HN -0.155 nan 8.240 nan 0.000 0.594 270 P HA 0.313 nan 4.420 nan 0.000 0.263 270 P C 1.166 178.466 177.300 -0.000 0.000 1.195 270 P CA 1.084 64.148 63.100 -0.060 0.000 0.762 270 P CB 0.581 32.356 31.700 0.124 0.000 0.799 271 G N 2.215 110.808 108.800 -0.346 0.000 2.234 271 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 271 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 271 G C -0.538 173.760 174.900 -1.002 0.000 0.997 271 G CA -0.276 44.474 45.100 -0.583 0.000 0.623 271 G HN 0.524 nan 8.290 nan 0.000 0.514 272 Y N 0.854 121.095 120.300 -0.099 0.000 2.534 272 Y HA 0.599 5.149 4.550 -0.001 0.000 0.345 272 Y C -2.316 173.509 175.900 -0.124 0.000 1.031 272 Y CA -2.319 55.733 58.100 -0.080 0.000 1.022 272 Y CB 2.141 40.588 38.460 -0.022 0.000 1.292 272 Y HN -0.034 nan 8.280 nan 0.000 0.459 273 P HA 0.159 nan 4.420 nan 0.000 0.275 273 P C -0.537 176.766 177.300 0.006 0.000 1.228 273 P CA -0.239 62.833 63.100 -0.047 0.000 0.786 273 P CB 1.085 32.803 31.700 0.030 0.000 0.927 274 A N 2.810 125.648 122.820 0.030 0.000 3.077 274 A HA 0.129 4.449 4.320 -0.000 0.000 0.255 274 A C 0.810 178.450 177.584 0.093 0.000 1.728 274 A CA -0.422 51.642 52.037 0.046 0.000 1.383 274 A CB -1.729 17.292 19.000 0.035 0.000 1.097 274 A HN 0.653 nan 8.150 nan 0.000 0.634 275 N N -0.621 118.049 118.700 -0.050 0.000 2.431 275 N HA 0.114 4.854 4.740 -0.000 0.000 0.289 275 N C 0.680 176.073 175.510 -0.195 0.000 1.277 275 N CA -0.453 52.498 53.050 -0.165 0.000 0.972 275 N CB 0.299 38.611 38.487 -0.292 0.000 1.143 275 N HN 0.216 nan 8.380 nan 0.000 0.578 276 E N -1.019 119.095 120.200 -0.144 0.000 2.110 276 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 276 E C 0.938 177.542 176.600 0.006 0.000 0.988 276 E CA 1.346 57.741 56.400 -0.009 0.000 0.804 276 E CB -0.341 29.417 29.700 0.097 0.000 0.745 276 E HN 0.808 nan 8.360 nan 0.000 0.458 277 Y N -0.843 119.477 120.300 0.035 0.000 2.493 277 Y HA 0.592 5.141 4.550 -0.000 0.000 0.275 277 Y C 0.524 176.451 175.900 0.045 0.000 1.183 277 Y CA -0.503 57.617 58.100 0.034 0.000 1.258 277 Y CB -0.375 38.101 38.460 0.026 0.000 1.108 277 Y HN -0.216 nan 8.280 nan 0.000 0.521 278 A N 1.434 124.132 122.820 -0.204 0.000 2.498 278 A HA 0.110 4.429 4.320 -0.000 0.000 0.239 278 A C -0.736 176.878 177.584 0.049 0.000 1.068 278 A CA -0.320 51.657 52.037 -0.100 0.000 0.766 278 A CB -0.413 18.526 19.000 -0.102 0.000 1.003 278 A HN 0.655 nan 8.150 nan 0.000 0.497 279 Y N 1.425 121.711 120.300 -0.024 0.000 2.313 279 Y HA 0.562 5.112 4.550 -0.000 0.000 0.332 279 Y C 0.384 176.277 175.900 -0.011 0.000 1.071 279 Y CA 0.091 58.185 58.100 -0.010 0.000 1.169 279 Y CB 0.468 38.918 38.460 -0.017 0.000 1.192 279 Y HN 0.940 nan 8.280 nan 0.000 0.487 280 R N 5.404 125.494 120.500 -0.684 0.000 2.589 280 R HA 0.573 4.912 4.340 -0.000 0.000 0.293 280 R C -0.515 175.359 176.300 -0.711 0.000 0.963 280 R CA -1.018 54.792 56.100 -0.483 0.000 0.905 280 R CB 0.654 30.805 30.300 -0.249 0.000 1.144 280 R HN 0.927 nan 8.270 nan 0.000 0.459 281 R N 0.604 120.915 120.500 -0.314 0.000 2.734 281 R HA 0.273 4.613 4.340 -0.000 0.000 0.266 281 R C 0.979 177.193 176.300 -0.144 0.000 1.044 281 R CA 0.655 56.661 56.100 -0.158 0.000 1.128 281 R CB 0.737 31.030 30.300 -0.011 0.000 1.010 281 R HN 0.880 nan 8.270 nan 0.000 0.461 282 G N 1.241 109.993 108.800 -0.079 0.000 2.606 282 G HA2 0.055 4.015 3.960 -0.000 0.000 0.252 282 G HA3 0.055 4.015 3.960 -0.000 0.000 0.252 282 G C 1.212 176.101 174.900 -0.018 0.000 1.206 282 G CA -0.692 44.381 45.100 -0.044 0.000 0.861 282 G HN 0.479 nan 8.290 nan 0.000 0.561 283 I N 1.415 121.982 120.570 -0.005 0.000 2.264 283 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 283 I C 3.053 179.178 176.117 0.013 0.000 1.111 283 I CA 1.871 63.178 61.300 0.012 0.000 1.382 283 I CB -1.090 36.927 38.000 0.029 0.000 1.060 283 I HN 0.557 nan 8.210 nan 0.000 0.418 284 A N 0.132 122.960 122.820 0.013 0.000 2.070 284 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 284 A C 1.916 179.507 177.584 0.011 0.000 1.159 284 A CA 1.516 53.560 52.037 0.013 0.000 0.656 284 A CB -0.387 18.622 19.000 0.014 0.000 0.800 284 A HN 0.403 nan 8.150 nan 0.000 0.453 285 E N -0.643 119.565 120.200 0.012 0.000 2.498 285 E HA 0.441 4.790 4.350 -0.000 0.000 0.203 285 E C 0.633 177.240 176.600 0.012 0.000 1.013 285 E CA 0.422 56.833 56.400 0.017 0.000 0.927 285 E CB 0.289 30.010 29.700 0.034 0.000 1.012 285 E HN 0.552 nan 8.360 nan 0.000 0.482 286 A N 0.551 123.371 122.820 0.001 0.000 2.507 286 A HA 0.201 4.521 4.320 -0.000 0.000 0.235 286 A C 0.269 177.839 177.584 -0.024 0.000 1.070 286 A CA -0.259 51.770 52.037 -0.013 0.000 0.768 286 A CB 0.381 19.370 19.000 -0.017 0.000 1.011 286 A HN 0.045 nan 8.150 nan 0.000 0.502 287 V N 1.484 121.373 119.914 -0.041 0.000 2.498 287 V HA 0.527 4.647 4.120 -0.000 0.000 0.279 287 V C 1.432 177.471 176.094 -0.091 0.000 1.048 287 V CA 1.025 63.294 62.300 -0.051 0.000 0.967 287 V CB 0.293 32.090 31.823 -0.043 0.000 0.988 287 V HN 1.963 nan 8.190 nan 0.000 0.473 288 G N 4.040 112.796 108.800 -0.074 0.000 2.176 288 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 288 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 288 G C 0.013 174.861 174.900 -0.088 0.000 0.979 288 G CA -0.025 45.023 45.100 -0.087 0.000 0.641 288 G HN 0.554 nan 8.290 nan 0.000 0.530 289 L N 2.083 123.264 121.223 -0.069 0.000 2.371 289 L HA 0.423 4.763 4.340 -0.000 0.000 0.272 289 L C -1.203 175.665 176.870 -0.003 0.000 1.124 289 L CA -1.915 52.905 54.840 -0.032 0.000 0.816 289 L CB 0.588 42.653 42.059 0.009 0.000 1.129 289 L HN -0.000 nan 8.230 nan 0.000 0.448 290 P HA 0.150 nan 4.420 nan 0.000 0.276 290 P C -0.327 176.983 177.300 0.016 0.000 1.244 290 P CA -0.422 62.684 63.100 0.011 0.000 0.801 290 P CB 1.203 32.915 31.700 0.019 0.000 1.006 291 S N -0.091 115.609 115.700 -0.001 0.000 2.539 291 S HA 0.235 4.705 4.470 -0.000 0.000 0.221 291 S C 0.856 175.455 174.600 -0.003 0.000 0.987 291 S CA -0.317 57.883 58.200 0.001 0.000 0.929 291 S CB -0.571 62.624 63.200 -0.007 0.000 0.832 291 S HN 0.492 nan 8.310 nan 0.000 0.492 292 I N -1.590 118.977 120.570 -0.006 0.000 2.828 292 I HA 0.649 4.819 4.170 -0.000 0.000 0.302 292 I C -3.368 172.744 176.117 -0.009 0.000 1.101 292 I CA -3.185 58.107 61.300 -0.012 0.000 1.031 292 I CB 1.905 39.893 38.000 -0.020 0.000 1.231 292 I HN -0.308 nan 8.210 nan 0.000 0.427 293 P HA 0.312 nan 4.420 nan 0.000 0.271 293 P C -0.996 176.300 177.300 -0.008 0.000 1.218 293 P CA -0.185 62.903 63.100 -0.020 0.000 0.780 293 P CB 1.070 32.733 31.700 -0.062 0.000 0.901 294 V N 2.300 122.224 119.914 0.017 0.000 2.888 294 V HA 0.523 4.643 4.120 -0.000 0.000 0.309 294 V C -0.969 175.185 176.094 0.100 0.000 1.114 294 V CA -0.399 61.916 62.300 0.025 0.000 0.940 294 V CB 2.047 33.863 31.823 -0.012 0.000 1.021 294 V HN 0.654 nan 8.190 nan 0.000 0.426 295 H N 4.351 123.394 119.070 -0.044 0.000 3.038 295 H HA 0.678 5.234 4.556 -0.000 0.000 0.362 295 H C -3.117 172.196 175.328 -0.026 0.000 1.167 295 H CA -1.101 54.934 56.048 -0.022 0.000 1.197 295 H CB 3.506 33.269 29.762 0.001 0.000 1.840 295 H HN 0.485 nan 8.280 nan 0.000 0.540 296 P HA 0.383 nan 4.420 nan 0.000 0.293 296 P C -0.973 176.193 177.300 -0.224 0.000 1.291 296 P CA -0.666 62.287 63.100 -0.246 0.000 0.867 296 P CB 2.050 33.679 31.700 -0.119 0.000 1.074 297 I N -1.703 118.867 120.570 0.001 0.000 3.174 297 I HA 0.846 5.016 4.170 -0.000 0.000 0.313 297 I C -0.194 176.004 176.117 0.135 0.000 1.155 297 I CA -1.276 60.066 61.300 0.071 0.000 0.977 297 I CB 2.059 40.142 38.000 0.139 0.000 1.248 297 I HN 0.338 nan 8.210 nan 0.000 0.453 298 G N 0.676 109.531 108.800 0.091 0.000 2.535 298 G HA2 0.300 4.260 3.960 -0.000 0.000 0.303 298 G HA3 0.300 4.260 3.960 -0.000 0.000 0.303 298 G C -0.070 174.901 174.900 0.119 0.000 1.237 298 G CA -0.278 44.849 45.100 0.046 0.000 0.986 298 G HN 0.878 nan 8.290 nan 0.000 0.494 299 Y N -2.320 118.029 120.300 0.082 0.000 2.457 299 Y HA 0.086 4.636 4.550 -0.000 0.000 0.292 299 Y C 2.158 178.116 175.900 0.095 0.000 1.125 299 Y CA 0.395 58.561 58.100 0.109 0.000 1.254 299 Y CB -0.404 38.134 38.460 0.129 0.000 1.012 299 Y HN 0.336 nan 8.280 nan 0.000 0.555 300 Y N 1.564 121.818 120.300 -0.076 0.000 2.145 300 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 300 Y C 2.006 177.913 175.900 0.012 0.000 1.145 300 Y CA 0.993 59.078 58.100 -0.025 0.000 1.148 300 Y CB -0.883 37.536 38.460 -0.069 0.000 0.981 300 Y HN 0.236 nan 8.280 nan 0.000 0.507 301 D N -0.616 119.923 120.400 0.233 0.000 2.149 301 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 301 D C 2.305 178.661 176.300 0.093 0.000 0.972 301 D CA 1.260 55.420 54.000 0.266 0.000 0.835 301 D CB -0.466 40.509 40.800 0.291 0.000 0.966 301 D HN 0.262 nan 8.370 nan 0.000 0.476 302 A N 0.896 123.726 122.820 0.015 0.000 1.908 302 A HA -0.274 4.045 4.320 -0.000 0.000 0.218 302 A C 2.154 179.558 177.584 -0.299 0.000 1.181 302 A CA 2.064 53.956 52.037 -0.242 0.000 0.627 302 A CB -0.816 17.844 19.000 -0.567 0.000 0.818 302 A HN 0.273 nan 8.150 nan 0.000 0.445 303 Q N -0.367 119.326 119.800 -0.178 0.000 2.135 303 Q HA -0.215 4.124 4.340 -0.000 0.000 0.204 303 Q C 1.787 177.600 176.000 -0.311 0.000 0.981 303 Q CA 1.852 57.525 55.803 -0.216 0.000 0.856 303 Q CB -0.068 28.622 28.738 -0.081 0.000 0.902 303 Q HN 0.494 nan 8.270 nan 0.000 0.425 304 K N 0.129 120.307 120.400 -0.370 0.000 2.147 304 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 304 K C 2.015 178.265 176.600 -0.584 0.000 1.049 304 K CA 0.934 56.840 56.287 -0.635 0.000 0.936 304 K CB -0.079 31.692 32.500 -1.216 0.000 0.722 304 K HN 0.376 nan 8.250 nan 0.000 0.446 305 L N 0.218 121.218 121.223 -0.372 0.000 2.209 305 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 305 L C 2.249 179.018 176.870 -0.168 0.000 1.094 305 L CA 0.556 55.285 54.840 -0.186 0.000 0.790 305 L CB -0.254 41.783 42.059 -0.038 0.000 0.932 305 L HN 0.049 nan 8.230 nan 0.000 0.447 306 L N -0.161 120.890 121.223 -0.287 0.000 2.270 306 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 306 L C 2.573 179.251 176.870 -0.320 0.000 1.104 306 L CA 0.583 55.235 54.840 -0.313 0.000 0.804 306 L CB -0.414 41.338 42.059 -0.511 0.000 0.937 306 L HN 0.333 nan 8.230 nan 0.000 0.450 307 E N 1.000 120.981 120.200 -0.365 0.000 2.209 307 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 307 E C 1.595 177.994 176.600 -0.335 0.000 0.993 307 E CA 1.253 57.447 56.400 -0.343 0.000 0.819 307 E CB -0.151 29.342 29.700 -0.345 0.000 0.745 307 E HN 0.416 nan 8.360 nan 0.000 0.477 308 K N -0.127 119.997 120.400 -0.459 0.000 2.404 308 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 308 K C 0.238 176.793 176.600 -0.074 0.000 1.023 308 K CA -0.252 55.728 56.287 -0.511 0.000 1.094 308 K CB 0.273 32.014 32.500 -1.264 0.000 0.841 308 K HN 0.133 nan 8.250 nan 0.000 0.523 309 M N 0.975 120.604 119.600 0.048 0.000 2.251 309 M HA 0.024 4.504 4.480 -0.000 0.000 0.343 309 M C 0.940 177.327 176.300 0.146 0.000 1.245 309 M CA 0.640 56.068 55.300 0.213 0.000 1.061 309 M CB 0.478 33.138 32.600 0.100 0.000 1.723 309 M HN 0.213 nan 8.290 nan 0.000 0.449 310 G N 1.033 109.937 108.800 0.173 0.000 3.234 310 G HA2 0.718 4.678 3.960 -0.000 0.000 0.159 310 G HA3 0.718 4.678 3.960 -0.000 0.000 0.159 310 G C 0.232 175.186 174.900 0.090 0.000 1.175 310 G CA -0.006 45.167 45.100 0.121 0.000 0.900 310 G HN 0.994 nan 8.290 nan 0.000 0.621 311 G N -0.640 108.202 108.800 0.070 0.000 2.566 311 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.280 311 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.280 311 G C 0.496 175.422 174.900 0.044 0.000 1.225 311 G CA 0.382 45.513 45.100 0.051 0.000 0.966 311 G HN 1.511 nan 8.290 nan 0.000 0.560 312 S N 0.795 116.516 115.700 0.035 0.000 2.562 312 S HA 0.554 5.024 4.470 -0.000 0.000 0.281 312 S C 0.984 175.600 174.600 0.028 0.000 1.333 312 S CA 0.266 58.475 58.200 0.015 0.000 1.052 312 S CB 1.172 64.365 63.200 -0.012 0.000 0.884 312 S HN 1.734 nan 8.310 nan 0.000 0.506 313 A N 4.298 127.127 122.820 0.014 0.000 2.406 313 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 313 A C -2.146 175.444 177.584 0.009 0.000 1.082 313 A CA -1.259 50.794 52.037 0.028 0.000 0.786 313 A CB -0.612 18.398 19.000 0.017 0.000 1.029 313 A HN 0.560 nan 8.150 nan 0.000 0.495 314 P HA 0.101 nan 4.420 nan 0.000 0.268 314 P C -2.030 175.197 177.300 -0.123 0.000 1.205 314 P CA -0.994 62.128 63.100 0.037 0.000 0.771 314 P CB 0.155 31.997 31.700 0.237 0.000 0.858 315 P HA -0.090 nan 4.420 nan 0.000 0.221 315 P C -0.096 177.109 177.300 -0.159 0.000 1.150 315 P CA 1.447 64.350 63.100 -0.329 0.000 0.800 315 P CB 0.172 31.527 31.700 -0.576 0.000 0.787 316 D N -3.200 117.151 120.400 -0.083 0.000 2.738 316 D HA 0.048 4.688 4.640 -0.000 0.000 0.308 316 D C 0.732 177.105 176.300 0.121 0.000 1.311 316 D CA -0.221 53.800 54.000 0.034 0.000 0.799 316 D CB -0.240 40.589 40.800 0.047 0.000 1.332 316 D HN -0.230 nan 8.370 nan 0.000 0.441 317 S N -0.513 115.247 115.700 0.100 0.000 2.419 317 S HA -0.185 4.284 4.470 -0.000 0.000 0.233 317 S C 1.747 176.415 174.600 0.113 0.000 1.016 317 S CA 1.445 59.699 58.200 0.089 0.000 0.974 317 S CB -0.989 62.244 63.200 0.055 0.000 0.786 317 S HN 0.756 nan 8.310 nan 0.000 0.492 318 S N -0.913 114.893 115.700 0.176 0.000 2.547 318 S HA 0.013 4.482 4.470 -0.000 0.000 0.235 318 S C 1.044 175.745 174.600 0.169 0.000 0.980 318 S CA 0.223 58.530 58.200 0.178 0.000 0.941 318 S CB -0.770 62.553 63.200 0.206 0.000 0.763 318 S HN 0.757 nan 8.310 nan 0.000 0.532 319 W N 1.901 123.194 121.300 -0.011 0.000 3.114 319 W HA 0.419 5.078 4.660 -0.001 0.000 0.279 319 W C 0.856 177.325 176.519 -0.083 0.000 1.277 319 W CA -0.809 56.535 57.345 -0.001 0.000 1.630 319 W CB 0.227 29.729 29.460 0.069 0.000 1.087 319 W HN 0.066 nan 8.180 nan 0.000 0.637 320 R N 0.553 121.017 120.500 -0.060 0.000 2.221 320 R HA 0.408 4.748 4.340 -0.000 0.000 0.327 320 R C 0.820 176.717 176.300 -0.670 0.000 1.033 320 R CA -0.065 55.714 56.100 -0.536 0.000 0.887 320 R CB 0.824 30.998 30.300 -0.208 0.000 1.057 320 R HN -0.033 nan 8.270 nan 0.000 0.455 321 G N 0.375 108.388 108.800 -1.311 0.000 2.504 321 G HA2 0.017 3.977 3.960 -0.000 0.000 0.257 321 G HA3 0.017 3.977 3.960 -0.000 0.000 0.257 321 G C 0.318 175.113 174.900 -0.175 0.000 1.451 321 G CA -0.452 44.356 45.100 -0.486 0.000 1.059 321 G HN 0.499 nan 8.290 nan 0.000 0.550 322 S N -0.676 115.050 115.700 0.042 0.000 2.540 322 S HA 0.261 4.730 4.470 -0.000 0.000 0.218 322 S C 0.900 175.552 174.600 0.086 0.000 0.977 322 S CA -0.400 57.826 58.200 0.043 0.000 0.918 322 S CB -0.212 62.968 63.200 -0.033 0.000 0.806 322 S HN 0.249 nan 8.310 nan 0.000 0.496 323 L N 1.743 123.093 121.223 0.212 0.000 2.472 323 L HA 0.236 4.576 4.340 -0.000 0.000 0.260 323 L C 0.739 177.644 176.870 0.060 0.000 1.209 323 L CA -0.361 54.528 54.840 0.081 0.000 0.817 323 L CB 0.327 42.395 42.059 0.015 0.000 1.106 323 L HN -0.127 nan 8.230 nan 0.000 0.479 324 K N 2.930 123.317 120.400 -0.022 0.000 2.751 324 K HA 0.236 4.556 4.320 -0.000 0.000 0.252 324 K C -0.641 175.896 176.600 -0.104 0.000 1.277 324 K CA 0.002 56.267 56.287 -0.036 0.000 1.226 324 K CB -0.514 31.962 32.500 -0.039 0.000 1.658 324 K HN 0.442 nan 8.250 nan 0.000 0.303 325 V N -2.173 117.645 119.914 -0.160 0.000 3.130 325 V HA 0.533 4.653 4.120 -0.000 0.000 0.310 325 V C -2.164 173.814 176.094 -0.193 0.000 1.158 325 V CA -1.784 60.351 62.300 -0.276 0.000 1.029 325 V CB 2.168 33.683 31.823 -0.514 0.000 1.057 325 V HN -0.006 nan 8.190 nan 0.000 0.436 326 P HA 0.099 nan 4.420 nan 0.000 0.231 326 P C 0.002 177.371 177.300 0.116 0.000 1.168 326 P CA 0.677 63.780 63.100 0.004 0.000 0.779 326 P CB -0.241 31.454 31.700 -0.008 0.000 0.844 327 Y N -1.497 118.743 120.300 -0.100 0.000 3.589 327 Y HA -0.202 4.347 4.550 -0.000 0.000 0.218 327 Y C 0.322 176.236 175.900 0.023 0.000 1.234 327 Y CA -0.210 57.791 58.100 -0.165 0.000 1.576 327 Y CB -3.132 35.278 38.460 -0.083 0.000 1.487 327 Y HN 0.082 nan 8.280 nan 0.000 0.616 328 N N 0.143 118.894 118.700 0.086 0.000 2.454 328 N HA 0.107 4.847 4.740 -0.000 0.000 0.254 328 N C 1.096 176.743 175.510 0.228 0.000 1.228 328 N CA 0.331 53.462 53.050 0.135 0.000 0.900 328 N CB 1.260 39.794 38.487 0.079 0.000 1.089 328 N HN 0.126 nan 8.380 nan 0.000 0.449 329 V N 0.967 121.023 119.914 0.236 0.000 2.951 329 V HA 0.082 4.201 4.120 -0.000 0.000 0.255 329 V C 1.447 177.657 176.094 0.195 0.000 1.088 329 V CA 1.416 63.888 62.300 0.287 0.000 1.109 329 V CB -1.260 30.653 31.823 0.149 0.000 0.724 329 V HN 1.020 nan 8.190 nan 0.000 0.471 330 G N 0.866 109.745 108.800 0.130 0.000 2.568 330 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.222 330 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.222 330 G C -2.683 172.253 174.900 0.060 0.000 1.321 330 G CA -0.288 44.865 45.100 0.088 0.000 0.893 330 G HN 0.310 nan 8.290 nan 0.000 0.569 331 P HA 0.503 nan 4.420 nan 0.000 0.274 331 P C 0.868 178.159 177.300 -0.014 0.000 1.231 331 P CA 1.776 64.886 63.100 0.016 0.000 0.790 331 P CB 0.898 32.602 31.700 0.007 0.000 0.951 332 G N 1.219 109.964 108.800 -0.092 0.000 2.681 332 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.220 332 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.220 332 G C -0.892 173.961 174.900 -0.079 0.000 1.353 332 G CA -0.706 44.264 45.100 -0.216 0.000 0.872 332 G HN 0.413 nan 8.290 nan 0.000 0.557 333 F N 0.853 120.837 119.950 0.056 0.000 2.457 333 F HA 0.593 5.119 4.527 -0.001 0.000 0.330 333 F C 1.641 177.499 175.800 0.098 0.000 1.069 333 F CA -0.358 57.686 58.000 0.072 0.000 1.009 333 F CB 1.772 40.838 39.000 0.111 0.000 1.276 333 F HN 0.779 nan 8.300 nan 0.000 0.492 334 T N -1.068 113.698 114.554 0.354 0.000 2.855 334 T HA 0.141 4.491 4.350 -0.000 0.000 0.314 334 T C 1.349 176.162 174.700 0.189 0.000 1.077 334 T CA -0.197 62.039 62.100 0.226 0.000 1.095 334 T CB 1.022 70.003 68.868 0.189 0.000 0.987 334 T HN 0.778 nan 8.240 nan 0.000 0.546 335 G N 1.947 110.795 108.800 0.080 0.000 2.679 335 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.222 335 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.222 335 G C 1.496 176.359 174.900 -0.061 0.000 1.164 335 G CA 1.046 46.156 45.100 0.016 0.000 0.769 335 G HN 0.775 nan 8.290 nan 0.000 0.610 336 N N 0.190 118.754 118.700 -0.226 0.000 2.381 336 N HA -0.002 4.737 4.740 -0.000 0.000 0.182 336 N C 1.242 176.389 175.510 -0.604 0.000 1.025 336 N CA 0.713 53.446 53.050 -0.529 0.000 0.888 336 N CB -0.220 37.742 38.487 -0.874 0.000 0.965 336 N HN 0.484 nan 8.380 nan 0.000 0.438 337 F N -0.510 119.470 119.950 0.048 0.000 2.654 337 F HA 0.208 4.735 4.527 -0.001 0.000 0.303 337 F C 1.908 177.828 175.800 0.200 0.000 1.099 337 F CA -0.408 57.644 58.000 0.088 0.000 1.270 337 F CB 0.018 39.014 39.000 -0.007 0.000 1.024 337 F HN -0.080 nan 8.300 nan 0.000 0.548 338 S N -0.391 115.451 115.700 0.238 0.000 2.419 338 S HA -0.216 4.253 4.470 -0.000 0.000 0.235 338 S C 1.929 176.615 174.600 0.143 0.000 1.019 338 S CA 1.805 60.116 58.200 0.185 0.000 0.982 338 S CB -1.098 62.159 63.200 0.094 0.000 0.789 338 S HN 0.460 nan 8.310 nan 0.000 0.490 339 T N -1.400 113.236 114.554 0.137 0.000 3.129 339 T HA 0.222 4.571 4.350 -0.000 0.000 0.251 339 T C 0.597 175.380 174.700 0.139 0.000 1.117 339 T CA -0.314 61.848 62.100 0.104 0.000 1.034 339 T CB -0.313 68.599 68.868 0.073 0.000 0.968 339 T HN 0.519 nan 8.240 nan 0.000 0.526 340 Q N 0.886 120.831 119.800 0.242 0.000 2.368 340 Q HA 0.540 4.879 4.340 -0.000 0.000 0.237 340 Q C -0.441 175.683 176.000 0.206 0.000 0.987 340 Q CA -0.092 55.884 55.803 0.287 0.000 0.896 340 Q CB 0.992 29.987 28.738 0.429 0.000 1.241 340 Q HN 0.348 nan 8.270 nan 0.000 0.485 341 K N 0.059 120.555 120.400 0.160 0.000 2.466 341 K HA 0.583 4.902 4.320 -0.000 0.000 0.260 341 K C -1.411 175.239 176.600 0.084 0.000 1.011 341 K CA -0.811 55.488 56.287 0.019 0.000 0.871 341 K CB 2.092 34.587 32.500 -0.009 0.000 1.404 341 K HN 0.241 nan 8.250 nan 0.000 0.450 342 V N 1.650 121.563 119.914 -0.003 0.000 2.483 342 V HA 0.375 4.495 4.120 -0.000 0.000 0.295 342 V C -0.551 175.532 176.094 -0.018 0.000 1.035 342 V CA -0.580 61.750 62.300 0.049 0.000 0.896 342 V CB 1.478 33.328 31.823 0.046 0.000 0.986 342 V HN 0.608 nan 8.190 nan 0.000 0.447 343 K N 5.051 125.428 120.400 -0.038 0.000 2.426 343 K HA 0.661 4.981 4.320 -0.000 0.000 0.254 343 K C -0.954 175.442 176.600 -0.339 0.000 0.936 343 K CA -0.615 55.557 56.287 -0.192 0.000 0.801 343 K CB 1.533 33.908 32.500 -0.209 0.000 1.139 343 K HN 0.665 nan 8.250 nan 0.000 0.424 344 M N 3.333 122.701 119.600 -0.387 0.000 2.342 344 M HA 0.314 4.793 4.480 -0.000 0.000 0.332 344 M C -0.468 175.404 176.300 -0.713 0.000 1.166 344 M CA -0.561 54.493 55.300 -0.409 0.000 1.086 344 M CB 1.305 33.766 32.600 -0.231 0.000 1.541 344 M HN 0.467 nan 8.290 nan 0.000 0.462 345 H N 3.365 122.134 119.070 -0.501 0.000 3.092 345 H HA 0.420 4.975 4.556 -0.000 0.000 0.308 345 H C -1.297 173.572 175.328 -0.765 0.000 1.047 345 H CA -0.548 55.151 56.048 -0.581 0.000 1.466 345 H CB 1.092 30.494 29.762 -0.600 0.000 1.597 345 H HN 0.396 nan 8.280 nan 0.000 0.512 346 I N 2.871 123.005 120.570 -0.726 0.000 2.436 346 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 346 I C 0.343 176.033 176.117 -0.712 0.000 1.010 346 I CA -0.549 60.402 61.300 -0.582 0.000 1.098 346 I CB 1.288 39.136 38.000 -0.253 0.000 1.266 346 I HN 0.719 nan 8.210 nan 0.000 0.434 347 H N 1.493 120.488 119.070 -0.125 0.000 3.052 347 H HA 0.259 4.815 4.556 0.000 0.000 0.257 347 H C 0.533 175.837 175.328 -0.039 0.000 1.193 347 H CA -0.204 55.764 56.048 -0.134 0.000 1.072 347 H CB 0.723 30.263 29.762 -0.371 0.000 1.685 347 H HN 0.426 nan 8.280 nan 0.000 0.630 348 S N 1.227 116.962 115.700 0.058 0.000 2.569 348 S HA 0.156 4.626 4.470 -0.000 0.000 0.274 348 S C 0.490 175.141 174.600 0.084 0.000 1.353 348 S CA 0.184 58.426 58.200 0.070 0.000 1.023 348 S CB 0.823 64.095 63.200 0.121 0.000 0.876 348 S HN 0.286 nan 8.310 nan 0.000 0.540 349 T N 3.150 117.754 114.554 0.083 0.000 2.876 349 T HA 0.393 4.742 4.350 -0.000 0.000 0.289 349 T C -0.557 174.184 174.700 0.069 0.000 1.014 349 T CA -0.896 61.255 62.100 0.085 0.000 0.986 349 T CB 0.960 69.882 68.868 0.091 0.000 1.021 349 T HN 0.437 nan 8.240 nan 0.000 0.458 350 N N 2.785 121.528 118.700 0.071 0.000 2.479 350 N HA 0.452 5.192 4.740 -0.000 0.000 0.285 350 N C -0.479 175.070 175.510 0.065 0.000 1.075 350 N CA -0.445 52.640 53.050 0.060 0.000 0.967 350 N CB 1.243 39.817 38.487 0.146 0.000 1.137 350 N HN 0.643 nan 8.380 nan 0.000 0.472 351 E N 0.353 120.580 120.200 0.046 0.000 2.321 351 E HA 0.227 4.576 4.350 -0.000 0.000 0.281 351 E C -0.941 175.683 176.600 0.041 0.000 0.910 351 E CA -0.743 55.694 56.400 0.062 0.000 0.770 351 E CB 2.221 31.991 29.700 0.116 0.000 1.225 351 E HN 0.105 nan 8.360 nan 0.000 0.417 352 V N 2.496 122.429 119.914 0.032 0.000 2.572 352 V HA 0.210 4.330 4.120 -0.000 0.000 0.291 352 V C -0.009 176.092 176.094 0.011 0.000 1.039 352 V CA 0.648 62.957 62.300 0.015 0.000 1.055 352 V CB 0.942 32.768 31.823 0.004 0.000 0.969 352 V HN 0.719 nan 8.190 nan 0.000 0.482 353 T N 5.177 119.728 114.554 -0.004 0.000 2.923 353 T HA 0.411 4.761 4.350 -0.000 0.000 0.311 353 T C -0.396 174.280 174.700 -0.041 0.000 1.183 353 T CA -0.764 61.333 62.100 -0.005 0.000 1.020 353 T CB 1.688 70.576 68.868 0.033 0.000 1.165 353 T HN 0.671 nan 8.240 nan 0.000 0.482 354 R N 2.362 122.819 120.500 -0.072 0.000 2.438 354 R HA 0.633 4.973 4.340 -0.000 0.000 0.287 354 R C -0.252 175.919 176.300 -0.216 0.000 1.077 354 R CA -0.359 55.631 56.100 -0.183 0.000 1.034 354 R CB 0.160 30.293 30.300 -0.279 0.000 0.993 354 R HN 0.705 nan 8.270 nan 0.000 0.459 355 I N 0.129 120.534 120.570 -0.276 0.000 2.892 355 I HA 0.501 4.671 4.170 -0.000 0.000 0.306 355 I C -1.544 174.402 176.117 -0.286 0.000 1.078 355 I CA -1.269 59.958 61.300 -0.122 0.000 1.032 355 I CB 2.146 40.176 38.000 0.050 0.000 1.229 355 I HN 0.511 nan 8.210 nan 0.000 0.435 356 Y N 1.818 122.244 120.300 0.210 0.000 2.331 356 Y HA 0.456 5.006 4.550 -0.001 0.000 0.326 356 Y C -0.545 175.473 175.900 0.197 0.000 1.020 356 Y CA -0.821 57.409 58.100 0.217 0.000 1.136 356 Y CB 1.574 40.165 38.460 0.218 0.000 1.157 356 Y HN 0.488 nan 8.280 nan 0.000 0.444 357 N N 1.990 120.905 118.700 0.359 0.000 2.498 357 N HA 0.439 5.179 4.740 -0.000 0.000 0.287 357 N C -0.899 174.678 175.510 0.112 0.000 1.097 357 N CA -0.493 52.715 53.050 0.262 0.000 0.973 357 N CB 2.206 40.916 38.487 0.371 0.000 1.153 357 N HN 0.271 nan 8.380 nan 0.000 0.472 358 V N 2.897 122.777 119.914 -0.057 0.000 2.407 358 V HA 0.399 4.519 4.120 -0.000 0.000 0.278 358 V C 0.115 176.166 176.094 -0.072 0.000 1.037 358 V CA -0.578 61.648 62.300 -0.124 0.000 0.900 358 V CB 1.079 32.660 31.823 -0.404 0.000 0.983 358 V HN 0.440 nan 8.190 nan 0.000 0.459 359 I N 4.345 124.935 120.570 0.033 0.000 2.410 359 I HA 0.540 4.710 4.170 -0.000 0.000 0.286 359 I C 0.550 176.783 176.117 0.193 0.000 1.009 359 I CA -0.055 61.267 61.300 0.036 0.000 1.111 359 I CB 1.422 39.432 38.000 0.017 0.000 1.262 359 I HN 0.706 nan 8.210 nan 0.000 0.443 360 G N 4.169 113.149 108.800 0.299 0.000 2.388 360 G HA2 0.664 4.624 3.960 -0.000 0.000 0.330 360 G HA3 0.664 4.624 3.960 -0.000 0.000 0.330 360 G C -0.728 174.281 174.900 0.181 0.000 1.142 360 G CA -0.226 45.050 45.100 0.295 0.000 0.908 360 G HN 0.454 nan 8.290 nan 0.000 0.473 361 T N 1.360 115.994 114.554 0.134 0.000 2.824 361 T HA 0.428 4.778 4.350 -0.000 0.000 0.282 361 T C -1.036 173.704 174.700 0.066 0.000 0.993 361 T CA -0.357 61.775 62.100 0.053 0.000 0.967 361 T CB 1.655 70.541 68.868 0.030 0.000 0.960 361 T HN 0.358 nan 8.240 nan 0.000 0.441 362 L N 3.994 125.227 121.223 0.017 0.000 2.366 362 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 362 L C 0.235 177.054 176.870 -0.084 0.000 1.010 362 L CA -0.701 54.137 54.840 -0.003 0.000 0.879 362 L CB 0.689 42.773 42.059 0.041 0.000 1.228 362 L HN 0.567 nan 8.230 nan 0.000 0.439 363 R N 2.963 123.429 120.500 -0.057 0.000 2.538 363 R HA 0.371 4.711 4.340 -0.000 0.000 0.282 363 R C 0.271 176.495 176.300 -0.126 0.000 1.009 363 R CA 0.467 56.531 56.100 -0.061 0.000 1.063 363 R CB 0.422 30.705 30.300 -0.028 0.000 0.945 363 R HN 0.863 nan 8.270 nan 0.000 0.414 364 G N 1.986 110.715 108.800 -0.119 0.000 2.483 364 G HA2 0.296 4.256 3.960 -0.000 0.000 0.248 364 G HA3 0.296 4.256 3.960 -0.000 0.000 0.248 364 G C 0.685 175.489 174.900 -0.160 0.000 1.248 364 G CA -0.032 44.961 45.100 -0.179 0.000 0.838 364 G HN 0.841 nan 8.290 nan 0.000 0.566 365 A N 1.388 124.081 122.820 -0.212 0.000 2.016 365 A HA 0.187 4.507 4.320 -0.000 0.000 0.217 365 A C 2.016 179.533 177.584 -0.112 0.000 1.162 365 A CA 1.695 53.634 52.037 -0.164 0.000 0.662 365 A CB 0.042 18.917 19.000 -0.209 0.000 0.812 365 A HN 0.560 nan 8.150 nan 0.000 0.450 366 V N -1.162 118.685 119.914 -0.113 0.000 3.090 366 V HA 0.108 4.228 4.120 -0.000 0.000 0.237 366 V C 0.444 176.497 176.094 -0.068 0.000 1.209 366 V CA 0.470 62.723 62.300 -0.078 0.000 1.209 366 V CB 0.066 31.844 31.823 -0.074 0.000 0.971 366 V HN 0.482 nan 8.190 nan 0.000 0.477 367 E N 1.700 121.849 120.200 -0.084 0.000 3.167 367 E HA 0.211 4.561 4.350 -0.000 0.000 0.212 367 E C -2.020 174.535 176.600 -0.075 0.000 1.143 367 E CA -1.530 54.822 56.400 -0.078 0.000 1.002 367 E CB 1.253 30.900 29.700 -0.088 0.000 1.315 367 E HN 0.386 nan 8.360 nan 0.000 0.422 368 P HA -0.155 nan 4.420 nan 0.000 0.223 368 P C 0.483 177.799 177.300 0.026 0.000 1.151 368 P CA 1.074 64.171 63.100 -0.004 0.000 0.787 368 P CB 0.181 31.884 31.700 0.004 0.000 0.788 369 D N -0.666 119.696 120.400 -0.064 0.000 2.538 369 D HA 0.036 4.675 4.640 -0.000 0.000 0.234 369 D C 0.164 176.227 176.300 -0.395 0.000 1.191 369 D CA -0.194 53.686 54.000 -0.200 0.000 0.828 369 D CB -0.121 40.602 40.800 -0.128 0.000 0.981 369 D HN -0.039 nan 8.370 nan 0.000 0.490 370 R N 0.759 121.076 120.500 -0.305 0.000 2.513 370 R HA 0.317 4.657 4.340 -0.000 0.000 0.301 370 R C -1.263 174.958 176.300 -0.131 0.000 0.968 370 R CA -0.698 55.222 56.100 -0.300 0.000 0.872 370 R CB 1.226 31.423 30.300 -0.172 0.000 1.177 370 R HN 0.033 nan 8.270 nan 0.000 0.444 371 Y N 0.909 121.194 120.300 -0.026 0.000 2.335 371 Y HA 0.412 4.961 4.550 -0.000 0.000 0.338 371 Y C 0.362 176.239 175.900 -0.038 0.000 0.977 371 Y CA -1.139 56.946 58.100 -0.025 0.000 1.114 371 Y CB 1.749 40.245 38.460 0.061 0.000 1.182 371 Y HN 0.098 nan 8.280 nan 0.000 0.463 372 V N 5.720 125.660 119.914 0.043 0.000 2.417 372 V HA 0.480 4.599 4.120 -0.000 0.000 0.291 372 V C -0.131 175.868 176.094 -0.158 0.000 1.024 372 V CA -0.777 61.490 62.300 -0.055 0.000 0.861 372 V CB 1.497 33.235 31.823 -0.142 0.000 0.985 372 V HN 0.587 nan 8.190 nan 0.000 0.436 373 I N 5.593 126.086 120.570 -0.130 0.000 2.433 373 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 373 I C -0.949 174.937 176.117 -0.384 0.000 1.001 373 I CA -0.768 60.398 61.300 -0.223 0.000 1.119 373 I CB 1.992 39.991 38.000 -0.001 0.000 1.289 373 I HN 0.394 nan 8.210 nan 0.000 0.438 374 L N 6.203 127.167 121.223 -0.432 0.000 2.316 374 L HA 0.844 5.183 4.340 -0.000 0.000 0.280 374 L C -0.255 176.458 176.870 -0.261 0.000 1.006 374 L CA 0.167 54.803 54.840 -0.340 0.000 0.836 374 L CB 1.250 43.217 42.059 -0.153 0.000 1.221 374 L HN 0.636 nan 8.230 nan 0.000 0.418 375 G N 2.383 111.013 108.800 -0.283 0.000 2.620 375 G HA2 0.769 4.729 3.960 -0.000 0.000 0.301 375 G HA3 0.769 4.729 3.960 -0.000 0.000 0.301 375 G C -1.083 173.910 174.900 0.155 0.000 1.347 375 G CA -0.306 44.736 45.100 -0.097 0.000 0.971 375 G HN 0.942 nan 8.290 nan 0.000 0.488 376 G N -0.300 108.543 108.800 0.072 0.000 2.677 376 G HA2 0.626 4.585 3.960 -0.000 0.000 0.291 376 G HA3 0.626 4.585 3.960 -0.000 0.000 0.291 376 G C -0.984 174.114 174.900 0.329 0.000 1.435 376 G CA -0.725 44.570 45.100 0.325 0.000 0.826 376 G HN 1.188 nan 8.290 nan 0.000 0.491 377 H N -1.372 117.906 119.070 0.348 0.000 2.508 377 H HA 0.708 5.264 4.556 -0.001 0.000 0.358 377 H C 1.040 176.444 175.328 0.127 0.000 1.212 377 H CA -0.660 55.557 56.048 0.283 0.000 1.356 377 H CB 1.770 31.713 29.762 0.302 0.000 1.525 377 H HN 0.519 nan 8.280 nan 0.000 0.578 378 R N 0.140 120.710 120.500 0.116 0.000 2.342 378 R HA 0.016 4.356 4.340 -0.000 0.000 0.204 378 R C -0.398 175.908 176.300 0.011 0.000 0.882 378 R CA 0.093 56.144 56.100 -0.080 0.000 1.041 378 R CB 0.301 30.515 30.300 -0.144 0.000 1.188 378 R HN 0.940 nan 8.270 nan 0.000 0.598 379 D N 1.478 122.002 120.400 0.206 0.000 2.372 379 D HA 0.032 4.672 4.640 -0.000 0.000 0.243 379 D C -0.520 175.878 176.300 0.163 0.000 1.121 379 D CA 0.083 54.188 54.000 0.175 0.000 0.898 379 D CB 1.562 42.459 40.800 0.161 0.000 1.202 379 D HN 0.195 nan 8.370 nan 0.000 0.428 380 S N 0.271 116.005 115.700 0.056 0.000 2.632 380 S HA 0.345 4.815 4.470 -0.000 0.000 0.289 380 S C 0.245 174.747 174.600 -0.163 0.000 1.115 380 S CA -1.035 57.166 58.200 0.002 0.000 0.889 380 S CB 1.062 64.331 63.200 0.115 0.000 1.116 380 S HN 0.694 nan 8.310 nan 0.000 0.486 381 W N 0.230 121.503 121.300 -0.046 0.000 2.441 381 W HA 0.152 4.812 4.660 -0.001 0.000 0.302 381 W C 1.410 177.870 176.519 -0.099 0.000 1.191 381 W CA 0.919 58.192 57.345 -0.121 0.000 1.327 381 W CB -0.003 29.271 29.460 -0.310 0.000 1.128 381 W HN 0.516 nan 8.180 nan 0.000 0.522 382 V N -2.489 117.468 119.914 0.072 0.000 5.486 382 V HA 0.111 4.230 4.120 -0.000 0.000 0.127 382 V C 0.677 176.595 176.094 -0.293 0.000 0.885 382 V CA -0.300 61.859 62.300 -0.236 0.000 1.394 382 V CB -0.695 30.910 31.823 -0.362 0.000 2.448 382 V HN -0.219 nan 8.190 nan 0.000 0.355 383 F N 1.731 121.714 119.950 0.054 0.000 2.615 383 F HA 0.413 4.940 4.527 -0.001 0.000 0.297 383 F C 1.898 177.789 175.800 0.152 0.000 1.124 383 F CA 0.926 58.976 58.000 0.082 0.000 1.451 383 F CB -0.672 38.344 39.000 0.026 0.000 1.103 383 F HN 0.611 nan 8.300 nan 0.000 0.569 384 G N 0.481 109.451 108.800 0.282 0.000 2.249 384 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.273 384 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.273 384 G C 1.430 176.488 174.900 0.263 0.000 1.036 384 G CA 0.263 45.515 45.100 0.254 0.000 0.824 384 G HN 0.676 nan 8.290 nan 0.000 0.504 385 G N -0.375 108.585 108.800 0.268 0.000 2.469 385 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.219 385 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.219 385 G C 1.671 176.673 174.900 0.169 0.000 1.150 385 G CA 1.484 46.726 45.100 0.237 0.000 0.763 385 G HN 0.637 nan 8.290 nan 0.000 0.561 386 I N -0.630 120.001 120.570 0.102 0.000 2.681 386 I HA 0.131 4.301 4.170 -0.000 0.000 0.247 386 I C 0.158 176.348 176.117 0.120 0.000 1.091 386 I CA 0.141 61.432 61.300 -0.014 0.000 1.442 386 I CB 0.321 38.090 38.000 -0.385 0.000 1.219 386 I HN -0.010 nan 8.210 nan 0.000 0.451 387 D N 2.275 122.824 120.400 0.249 0.000 2.427 387 D HA 0.186 4.826 4.640 -0.000 0.000 0.226 387 D C -2.067 174.369 176.300 0.227 0.000 1.076 387 D CA -2.319 51.867 54.000 0.311 0.000 0.849 387 D CB 1.622 42.759 40.800 0.561 0.000 1.052 387 D HN 0.042 nan 8.370 nan 0.000 0.515 388 P HA 0.085 nan 4.420 nan 0.000 0.291 388 P C 0.717 178.039 177.300 0.036 0.000 1.341 388 P CA -0.042 62.994 63.100 -0.107 0.000 0.999 388 P CB 0.944 32.204 31.700 -0.733 0.000 1.501 389 Q N 0.649 120.533 119.800 0.139 0.000 2.297 389 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 389 Q C 2.088 178.283 176.000 0.325 0.000 0.962 389 Q CA 1.561 57.519 55.803 0.258 0.000 0.879 389 Q CB -0.915 28.031 28.738 0.346 0.000 0.947 389 Q HN 0.401 nan 8.270 nan 0.000 0.462 390 S N -0.366 115.503 115.700 0.282 0.000 2.399 390 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 390 S C 1.986 176.770 174.600 0.306 0.000 1.022 390 S CA 1.161 59.581 58.200 0.368 0.000 0.983 390 S CB -0.498 62.877 63.200 0.292 0.000 0.803 390 S HN 0.394 nan 8.310 nan 0.000 0.480 391 G N 1.190 110.115 108.800 0.209 0.000 2.396 391 G HA2 0.245 4.204 3.960 -0.000 0.000 0.214 391 G HA3 0.245 4.204 3.960 -0.000 0.000 0.214 391 G C 1.684 176.729 174.900 0.241 0.000 1.166 391 G CA 0.505 45.721 45.100 0.194 0.000 0.793 391 G HN 0.747 nan 8.290 nan 0.000 0.533 392 A N 1.169 124.130 122.820 0.235 0.000 1.972 392 A HA 0.289 4.609 4.320 -0.000 0.000 0.219 392 A C 2.728 180.614 177.584 0.504 0.000 1.169 392 A CA 2.122 54.326 52.037 0.279 0.000 0.635 392 A CB -0.605 18.448 19.000 0.087 0.000 0.810 392 A HN 0.706 nan 8.150 nan 0.000 0.446 393 A N -0.767 122.366 122.820 0.522 0.000 1.969 393 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 393 A C 2.191 180.049 177.584 0.458 0.000 1.169 393 A CA 1.554 53.865 52.037 0.456 0.000 0.635 393 A CB -0.672 18.515 19.000 0.311 0.000 0.810 393 A HN 0.329 nan 8.150 nan 0.000 0.445 394 V N -0.407 119.740 119.914 0.387 0.000 2.307 394 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 394 V C 2.591 178.864 176.094 0.299 0.000 1.045 394 V CA 1.886 64.375 62.300 0.316 0.000 1.024 394 V CB -0.567 31.416 31.823 0.266 0.000 0.651 394 V HN 0.371 nan 8.190 nan 0.000 0.449 395 V N -0.357 119.745 119.914 0.313 0.000 2.324 395 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 395 V C 2.397 178.672 176.094 0.301 0.000 1.060 395 V CA 2.582 65.060 62.300 0.297 0.000 1.042 395 V CB -0.908 31.105 31.823 0.317 0.000 0.650 395 V HN 0.635 nan 8.190 nan 0.000 0.450 396 H N 0.127 119.374 119.070 0.296 0.000 2.353 396 H HA -0.163 4.393 4.556 -0.000 0.000 0.300 396 H C 2.256 177.665 175.328 0.135 0.000 1.090 396 H CA 2.088 58.302 56.048 0.276 0.000 1.327 396 H CB -0.019 29.802 29.762 0.098 0.000 1.383 396 H HN 0.475 nan 8.280 nan 0.000 0.508 397 E N 0.133 120.524 120.200 0.317 0.000 2.150 397 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 397 E C 2.212 178.806 176.600 -0.010 0.000 0.985 397 E CA 1.047 57.564 56.400 0.194 0.000 0.814 397 E CB -0.378 29.457 29.700 0.225 0.000 0.752 397 E HN 0.579 nan 8.360 nan 0.000 0.466 398 I N -0.472 120.142 120.570 0.074 0.000 2.179 398 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 398 I C 2.150 178.325 176.117 0.097 0.000 1.088 398 I CA 0.795 62.184 61.300 0.149 0.000 1.357 398 I CB -0.207 37.992 38.000 0.332 0.000 1.051 398 I HN 0.042 nan 8.210 nan 0.000 0.409 399 V N 0.728 120.521 119.914 -0.202 0.000 2.287 399 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 399 V C 2.621 178.525 176.094 -0.317 0.000 1.053 399 V CA 1.997 63.953 62.300 -0.573 0.000 1.027 399 V CB -0.826 30.375 31.823 -1.036 0.000 0.646 399 V HN 0.415 nan 8.190 nan 0.000 0.447 400 R N 0.065 120.262 120.500 -0.504 0.000 2.083 400 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 400 R C 2.473 178.563 176.300 -0.350 0.000 1.137 400 R CA 2.114 57.726 56.100 -0.813 0.000 0.951 400 R CB -0.289 29.334 30.300 -1.129 0.000 0.851 400 R HN 0.569 nan 8.270 nan 0.000 0.434 401 S N 0.160 115.717 115.700 -0.239 0.000 2.368 401 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 401 S C 1.614 176.215 174.600 0.002 0.000 1.029 401 S CA 1.111 59.187 58.200 -0.205 0.000 0.988 401 S CB -0.342 62.587 63.200 -0.452 0.000 0.838 401 S HN 0.234 nan 8.310 nan 0.000 0.462 402 F N 2.188 122.266 119.950 0.214 0.000 2.161 402 F HA -0.039 4.488 4.527 -0.001 0.000 0.300 402 F C 2.619 178.506 175.800 0.145 0.000 1.089 402 F CA 0.978 59.117 58.000 0.231 0.000 1.282 402 F CB -1.163 38.001 39.000 0.274 0.000 1.010 402 F HN 0.307 nan 8.300 nan 0.000 0.485 403 G N -1.095 107.829 108.800 0.207 0.000 2.422 403 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 403 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 403 G C 1.738 176.701 174.900 0.105 0.000 1.140 403 G CA 1.323 46.508 45.100 0.143 0.000 0.775 403 G HN 0.423 nan 8.290 nan 0.000 0.545 404 T N 0.074 114.650 114.554 0.037 0.000 2.746 404 T HA -0.037 4.312 4.350 -0.000 0.000 0.267 404 T C 2.426 177.149 174.700 0.038 0.000 1.039 404 T CA 1.196 63.304 62.100 0.013 0.000 1.142 404 T CB -0.355 68.482 68.868 -0.053 0.000 0.866 404 T HN 0.186 nan 8.240 nan 0.000 0.444 405 L N 0.532 121.773 121.223 0.030 0.000 2.046 405 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 405 L C 3.204 180.130 176.870 0.093 0.000 1.077 405 L CA 1.444 56.240 54.840 -0.073 0.000 0.747 405 L CB -0.612 41.256 42.059 -0.319 0.000 0.896 405 L HN 0.215 nan 8.230 nan 0.000 0.432 406 K N 1.181 121.750 120.400 0.281 0.000 2.032 406 K HA -0.221 4.098 4.320 -0.000 0.000 0.209 406 K C 2.013 178.695 176.600 0.136 0.000 1.048 406 K CA 1.701 58.137 56.287 0.247 0.000 0.927 406 K CB -0.056 32.580 32.500 0.227 0.000 0.712 406 K HN 0.290 nan 8.250 nan 0.000 0.441 407 K N 0.428 120.895 120.400 0.112 0.000 2.280 407 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 407 K C 1.606 178.262 176.600 0.094 0.000 1.047 407 K CA 1.232 57.574 56.287 0.090 0.000 0.942 407 K CB 0.021 32.569 32.500 0.079 0.000 0.739 407 K HN 0.309 nan 8.250 nan 0.000 0.457 408 E N -0.567 119.695 120.200 0.102 0.000 2.489 408 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 408 E C 0.679 177.392 176.600 0.188 0.000 1.057 408 E CA 0.251 56.746 56.400 0.159 0.000 0.866 408 E CB 0.566 30.429 29.700 0.272 0.000 0.916 408 E HN 0.479 nan 8.360 nan 0.000 0.500 409 G N 1.307 110.184 108.800 0.129 0.000 2.184 409 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.206 409 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.206 409 G C -0.390 174.593 174.900 0.139 0.000 0.995 409 G CA -0.190 44.989 45.100 0.133 0.000 0.651 409 G HN 0.307 nan 8.290 nan 0.000 0.511 410 W N 1.820 123.035 121.300 -0.142 0.000 2.381 410 W HA 0.807 5.467 4.660 -0.001 0.000 0.329 410 W C 0.298 176.778 176.519 -0.064 0.000 1.157 410 W CA -0.738 56.521 57.345 -0.143 0.000 1.240 410 W CB 0.710 29.931 29.460 -0.399 0.000 1.199 410 W HN 0.137 nan 8.180 nan 0.000 0.579 411 R N 4.784 124.761 120.500 -0.872 0.000 2.771 411 R HA 0.405 4.745 4.340 -0.000 0.000 0.274 411 R C -2.363 172.845 176.300 -1.821 0.000 0.987 411 R CA -1.931 53.511 56.100 -1.097 0.000 0.908 411 R CB 2.191 32.180 30.300 -0.518 0.000 1.213 411 R HN 0.265 nan 8.270 nan 0.000 0.468 412 P HA 0.059 nan 4.420 nan 0.000 0.274 412 P C -0.222 176.731 177.300 -0.579 0.000 1.246 412 P CA -0.199 62.276 63.100 -1.042 0.000 0.795 412 P CB 0.966 32.266 31.700 -0.667 0.000 1.006 413 R N 1.222 121.495 120.500 -0.379 0.000 2.073 413 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 413 R C 0.778 176.951 176.300 -0.212 0.000 1.134 413 R CA 1.201 57.155 56.100 -0.243 0.000 0.952 413 R CB 0.105 30.307 30.300 -0.163 0.000 0.850 413 R HN 0.475 nan 8.270 nan 0.000 0.433 414 R N -0.117 120.253 120.500 -0.217 0.000 2.674 414 R HA 0.243 4.583 4.340 -0.000 0.000 0.266 414 R C -0.529 175.665 176.300 -0.176 0.000 1.016 414 R CA -0.649 55.352 56.100 -0.165 0.000 1.062 414 R CB 1.473 31.686 30.300 -0.145 0.000 1.142 414 R HN -0.023 nan 8.270 nan 0.000 0.517 415 T N 2.074 116.581 114.554 -0.078 0.000 2.901 415 T HA 0.244 4.594 4.350 -0.000 0.000 0.301 415 T C 0.347 174.960 174.700 -0.145 0.000 1.012 415 T CA 0.119 62.182 62.100 -0.060 0.000 1.135 415 T CB 0.203 69.156 68.868 0.142 0.000 0.936 415 T HN 0.249 nan 8.240 nan 0.000 0.539 416 I N 3.878 124.271 120.570 -0.295 0.000 2.377 416 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 416 I C -0.300 175.474 176.117 -0.572 0.000 0.987 416 I CA -0.732 60.253 61.300 -0.525 0.000 1.185 416 I CB 1.286 38.776 38.000 -0.850 0.000 1.341 416 I HN 0.299 nan 8.210 nan 0.000 0.455 417 L N 6.061 126.938 121.223 -0.576 0.000 2.307 417 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 417 L C -1.071 175.394 176.870 -0.674 0.000 1.023 417 L CA -0.513 54.059 54.840 -0.448 0.000 0.810 417 L CB 1.316 43.233 42.059 -0.237 0.000 1.231 417 L HN 0.393 nan 8.230 nan 0.000 0.423 418 F N 1.641 121.428 119.950 -0.272 0.000 2.482 418 F HA 0.723 5.249 4.527 -0.001 0.000 0.331 418 F C 0.296 175.947 175.800 -0.248 0.000 1.115 418 F CA -0.580 57.209 58.000 -0.353 0.000 0.955 418 F CB 2.011 40.597 39.000 -0.689 0.000 1.136 418 F HN 0.423 nan 8.300 nan 0.000 0.452 419 A N 1.515 124.225 122.820 -0.183 0.000 2.393 419 A HA 0.651 4.971 4.320 -0.000 0.000 0.306 419 A C -0.847 176.470 177.584 -0.444 0.000 1.050 419 A CA -0.702 50.977 52.037 -0.597 0.000 0.724 419 A CB 1.607 19.542 19.000 -1.774 0.000 1.248 419 A HN 0.574 nan 8.150 nan 0.000 0.424 420 S N 2.426 117.925 115.700 -0.334 0.000 2.528 420 S HA 0.477 4.947 4.470 -0.000 0.000 0.303 420 S C -0.842 173.672 174.600 -0.143 0.000 1.123 420 S CA -0.425 57.635 58.200 -0.235 0.000 1.138 420 S CB -0.314 62.688 63.200 -0.329 0.000 0.984 420 S HN 0.524 nan 8.310 nan 0.000 0.474 421 W N 2.705 124.079 121.300 0.123 0.000 2.237 421 W HA 0.412 5.072 4.660 -0.001 0.000 0.335 421 W C 0.703 177.307 176.519 0.141 0.000 1.230 421 W CA -0.803 56.623 57.345 0.134 0.000 1.253 421 W CB 0.491 30.060 29.460 0.182 0.000 1.129 421 W HN 0.458 nan 8.180 nan 0.000 0.590 422 D N 0.074 120.727 120.400 0.422 0.000 2.384 422 D HA 0.408 5.048 4.640 -0.000 0.000 0.250 422 D C 0.347 176.773 176.300 0.211 0.000 1.029 422 D CA 0.116 54.283 54.000 0.280 0.000 0.990 422 D CB 1.660 42.613 40.800 0.255 0.000 1.175 422 D HN 0.553 nan 8.370 nan 0.000 0.532 423 A N 1.441 124.358 122.820 0.161 0.000 2.826 423 A HA -0.227 4.093 4.320 -0.000 0.000 0.274 423 A C 1.503 179.144 177.584 0.095 0.000 1.443 423 A CA 1.426 53.551 52.037 0.146 0.000 0.833 423 A CB -1.898 17.149 19.000 0.078 0.000 1.023 423 A HN 0.639 nan 8.150 nan 0.000 0.600 424 E N 0.185 120.370 120.200 -0.025 0.000 2.077 424 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 424 E C 1.546 178.029 176.600 -0.196 0.000 0.989 424 E CA 1.565 57.837 56.400 -0.212 0.000 0.800 424 E CB -0.107 29.242 29.700 -0.586 0.000 0.746 424 E HN 0.767 nan 8.360 nan 0.000 0.452 425 E N -0.486 119.552 120.200 -0.270 0.000 2.333 425 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 425 E C 1.257 177.732 176.600 -0.208 0.000 1.007 425 E CA 0.554 56.731 56.400 -0.372 0.000 0.845 425 E CB -0.259 28.769 29.700 -1.119 0.000 0.766 425 E HN 0.330 nan 8.360 nan 0.000 0.507 426 F N -0.244 119.695 119.950 -0.018 0.000 2.639 426 F HA 0.301 4.828 4.527 -0.001 0.000 0.300 426 F C 1.178 177.092 175.800 0.191 0.000 1.109 426 F CA 0.285 58.424 58.000 0.233 0.000 1.335 426 F CB 0.994 40.114 39.000 0.199 0.000 1.014 426 F HN 0.005 nan 8.300 nan 0.000 0.537 427 G N 0.228 109.130 108.800 0.170 0.000 2.189 427 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.113 427 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.113 427 G C 0.343 175.202 174.900 -0.067 0.000 1.038 427 G CA -0.380 44.740 45.100 0.032 0.000 0.704 427 G HN 0.316 nan 8.290 nan 0.000 0.490 428 L N -1.694 119.480 121.223 -0.082 0.000 3.717 428 L HA -0.251 4.089 4.340 -0.000 0.000 0.411 428 L C 1.981 178.734 176.870 -0.194 0.000 1.233 428 L CA 0.757 55.495 54.840 -0.170 0.000 0.917 428 L CB -2.039 39.884 42.059 -0.227 0.000 1.902 428 L HN 0.397 nan 8.230 nan 0.000 0.894 429 L N -0.412 120.747 121.223 -0.106 0.000 2.072 429 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 429 L C 2.556 179.325 176.870 -0.168 0.000 1.079 429 L CA 1.780 56.545 54.840 -0.124 0.000 0.752 429 L CB -0.530 41.510 42.059 -0.032 0.000 0.906 429 L HN 0.556 nan 8.230 nan 0.000 0.436 430 G N 0.331 109.083 108.800 -0.080 0.000 2.404 430 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 430 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 430 G C 1.842 176.629 174.900 -0.188 0.000 1.174 430 G CA 1.004 46.109 45.100 0.008 0.000 0.780 430 G HN 0.480 nan 8.290 nan 0.000 0.537 431 S N 0.296 115.655 115.700 -0.567 0.000 2.368 431 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 431 S C 2.258 176.448 174.600 -0.683 0.000 1.030 431 S CA 2.130 59.592 58.200 -1.231 0.000 0.999 431 S CB -0.912 61.403 63.200 -1.475 0.000 0.844 431 S HN 0.267 nan 8.310 nan 0.000 0.459 432 T N 2.134 116.370 114.554 -0.530 0.000 2.777 432 T HA 0.005 4.354 4.350 -0.000 0.000 0.266 432 T C 1.815 176.246 174.700 -0.448 0.000 1.040 432 T CA 1.361 63.168 62.100 -0.487 0.000 1.141 432 T CB -0.330 68.281 68.868 -0.428 0.000 0.868 432 T HN 0.383 nan 8.240 nan 0.000 0.444 433 E N 0.184 120.102 120.200 -0.470 0.000 2.072 433 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 433 E C 1.796 178.040 176.600 -0.593 0.000 0.985 433 E CA 0.790 56.809 56.400 -0.635 0.000 0.801 433 E CB -0.389 28.723 29.700 -0.981 0.000 0.750 433 E HN 0.662 nan 8.360 nan 0.000 0.452 434 W N 1.665 122.618 121.300 -0.579 0.000 2.358 434 W HA -0.149 4.511 4.660 -0.001 0.000 0.303 434 W C 2.366 178.824 176.519 -0.102 0.000 1.208 434 W CA 2.399 59.663 57.345 -0.135 0.000 1.274 434 W CB -0.236 29.355 29.460 0.218 0.000 1.138 434 W HN 0.058 nan 8.180 nan 0.000 0.515 435 A N 0.003 122.774 122.820 -0.081 0.000 1.969 435 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 435 A C 1.802 179.186 177.584 -0.334 0.000 1.169 435 A CA 1.704 53.568 52.037 -0.288 0.000 0.635 435 A CB -0.749 17.904 19.000 -0.578 0.000 0.810 435 A HN 0.458 nan 8.150 nan 0.000 0.445 436 E N -0.524 119.473 120.200 -0.337 0.000 2.085 436 E HA -0.241 4.108 4.350 -0.000 0.000 0.194 436 E C 2.023 178.489 176.600 -0.224 0.000 0.994 436 E CA 1.346 57.569 56.400 -0.295 0.000 0.801 436 E CB -0.134 29.371 29.700 -0.326 0.000 0.743 436 E HN 0.825 nan 8.360 nan 0.000 0.453 437 E N 0.606 120.670 120.200 -0.226 0.000 2.110 437 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 437 E C 1.082 177.555 176.600 -0.211 0.000 0.988 437 E CA 0.842 57.152 56.400 -0.150 0.000 0.804 437 E CB 0.216 29.873 29.700 -0.071 0.000 0.745 437 E HN 0.107 nan 8.360 nan 0.000 0.458 438 N N 0.142 118.617 118.700 -0.375 0.000 2.273 438 N HA 0.005 4.744 4.740 -0.000 0.000 0.231 438 N C 1.080 176.462 175.510 -0.214 0.000 1.134 438 N CA 0.511 53.339 53.050 -0.369 0.000 0.856 438 N CB 0.980 38.998 38.487 -0.782 0.000 1.068 438 N HN 0.136 nan 8.380 nan 0.000 0.510 439 S N 0.908 116.509 115.700 -0.164 0.000 2.383 439 S HA -0.143 4.326 4.470 -0.000 0.000 0.229 439 S C 1.922 176.512 174.600 -0.016 0.000 1.030 439 S CA 0.743 58.888 58.200 -0.091 0.000 1.002 439 S CB -0.094 63.045 63.200 -0.102 0.000 0.829 439 S HN 0.240 nan 8.310 nan 0.000 0.467 440 R N 1.011 121.505 120.500 -0.011 0.000 2.075 440 R HA 0.188 4.528 4.340 -0.000 0.000 0.232 440 R C 2.421 178.756 176.300 0.058 0.000 1.126 440 R CA 1.480 57.595 56.100 0.026 0.000 0.963 440 R CB -0.632 29.681 30.300 0.022 0.000 0.858 440 R HN 0.420 nan 8.270 nan 0.000 0.435 441 L N 0.288 121.549 121.223 0.063 0.000 2.056 441 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 441 L C 2.254 179.237 176.870 0.189 0.000 1.078 441 L CA 1.225 56.149 54.840 0.140 0.000 0.749 441 L CB -0.504 41.672 42.059 0.194 0.000 0.901 441 L HN 0.194 nan 8.230 nan 0.000 0.433 442 L N -0.466 120.865 121.223 0.179 0.000 2.093 442 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 442 L C 2.712 179.702 176.870 0.200 0.000 1.085 442 L CA 0.962 55.956 54.840 0.255 0.000 0.755 442 L CB -0.482 41.734 42.059 0.262 0.000 0.904 442 L HN 0.288 nan 8.230 nan 0.000 0.435 443 Q N 0.575 120.466 119.800 0.151 0.000 2.077 443 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 443 Q C 1.848 177.989 176.000 0.235 0.000 0.989 443 Q CA 1.899 57.803 55.803 0.168 0.000 0.853 443 Q CB 0.023 28.831 28.738 0.117 0.000 0.907 443 Q HN 0.339 nan 8.270 nan 0.000 0.418 444 E N -0.716 119.595 120.200 0.184 0.000 2.452 444 E HA 0.091 4.441 4.350 -0.000 0.000 0.197 444 E C 1.217 177.853 176.600 0.059 0.000 1.022 444 E CA 0.383 56.924 56.400 0.236 0.000 0.890 444 E CB 0.422 30.218 29.700 0.161 0.000 0.918 444 E HN 0.451 nan 8.360 nan 0.000 0.496 445 R N -0.296 120.176 120.500 -0.045 0.000 2.521 445 R HA 0.210 4.550 4.340 -0.000 0.000 0.289 445 R C 0.840 177.017 176.300 -0.205 0.000 0.936 445 R CA 0.223 56.165 56.100 -0.264 0.000 1.089 445 R CB 1.156 31.092 30.300 -0.607 0.000 1.348 445 R HN -0.100 nan 8.270 nan 0.000 0.536 446 G N 0.780 109.588 108.800 0.014 0.000 2.351 446 G HA2 0.282 4.242 3.960 -0.000 0.000 0.287 446 G HA3 0.282 4.242 3.960 -0.000 0.000 0.287 446 G C 0.845 175.805 174.900 0.100 0.000 1.159 446 G CA -0.416 44.779 45.100 0.159 0.000 0.929 446 G HN -0.092 nan 8.290 nan 0.000 0.435 447 V N 2.517 122.493 119.914 0.104 0.000 2.302 447 V HA 0.359 4.479 4.120 -0.000 0.000 0.243 447 V C 1.536 177.806 176.094 0.292 0.000 1.036 447 V CA 2.141 64.520 62.300 0.133 0.000 1.020 447 V CB -0.575 31.266 31.823 0.030 0.000 0.657 447 V HN 1.007 nan 8.190 nan 0.000 0.453 448 A N -1.730 121.240 122.820 0.250 0.000 2.605 448 A HA 0.675 4.994 4.320 -0.000 0.000 0.294 448 A C -2.069 175.646 177.584 0.218 0.000 1.062 448 A CA -0.377 51.829 52.037 0.282 0.000 0.682 448 A CB 1.170 20.338 19.000 0.280 0.000 1.278 448 A HN 0.209 nan 8.150 nan 0.000 0.410 449 Y N 2.218 122.567 120.300 0.081 0.000 2.361 449 Y HA 0.682 5.231 4.550 -0.001 0.000 0.337 449 Y C -1.233 174.673 175.900 0.010 0.000 0.965 449 Y CA -1.072 57.010 58.100 -0.031 0.000 1.091 449 Y CB 1.234 39.625 38.460 -0.115 0.000 1.182 449 Y HN 0.532 nan 8.280 nan 0.000 0.450 450 I N 5.877 126.092 120.570 -0.592 0.000 2.355 450 I HA 0.212 4.382 4.170 -0.000 0.000 0.288 450 I C -0.264 175.517 176.117 -0.560 0.000 0.999 450 I CA -0.722 60.352 61.300 -0.377 0.000 1.163 450 I CB 0.929 38.817 38.000 -0.187 0.000 1.316 450 I HN 0.717 nan 8.210 nan 0.000 0.454 451 N N 4.252 122.834 118.700 -0.196 0.000 2.467 451 N HA 0.559 5.299 4.740 -0.000 0.000 0.262 451 N C -0.141 175.432 175.510 0.105 0.000 1.234 451 N CA -0.037 53.075 53.050 0.103 0.000 0.952 451 N CB 1.118 39.909 38.487 0.506 0.000 1.158 451 N HN 0.710 nan 8.380 nan 0.000 0.463 452 A N 1.332 124.271 122.820 0.199 0.000 3.415 452 A HA 0.190 4.510 4.320 -0.000 0.000 0.244 452 A C -0.436 177.275 177.584 0.212 0.000 0.988 452 A CA -0.622 51.519 52.037 0.173 0.000 0.991 452 A CB -0.240 18.843 19.000 0.140 0.000 1.240 452 A HN 0.664 nan 8.150 nan 0.000 0.541 453 D N 0.514 121.065 120.400 0.252 0.000 2.376 453 D HA 0.290 4.929 4.640 -0.000 0.000 0.281 453 D C 0.672 177.073 176.300 0.168 0.000 1.215 453 D CA -0.112 54.030 54.000 0.238 0.000 1.062 453 D CB 0.612 41.624 40.800 0.353 0.000 1.124 453 D HN 0.248 nan 8.370 nan 0.000 0.550 454 S N -0.629 115.170 115.700 0.166 0.000 2.810 454 S HA -0.040 4.429 4.470 -0.000 0.000 0.329 454 S C 1.185 175.809 174.600 0.040 0.000 1.231 454 S CA 0.046 58.305 58.200 0.098 0.000 1.042 454 S CB 0.289 63.551 63.200 0.103 0.000 0.756 454 S HN 0.331 nan 8.310 nan 0.000 0.504 455 S N 1.642 117.327 115.700 -0.024 0.000 2.496 455 S HA 0.164 4.634 4.470 -0.000 0.000 0.224 455 S C 0.735 175.243 174.600 -0.154 0.000 0.996 455 S CA 0.164 58.310 58.200 -0.089 0.000 0.927 455 S CB -0.422 62.671 63.200 -0.177 0.000 0.774 455 S HN 0.779 nan 8.310 nan 0.000 0.524 456 I N -0.696 119.755 120.570 -0.199 0.000 2.722 456 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 456 I C -0.256 175.734 176.117 -0.212 0.000 1.161 456 I CA -0.738 60.458 61.300 -0.174 0.000 1.032 456 I CB 2.234 40.094 38.000 -0.232 0.000 1.244 456 I HN 0.009 nan 8.210 nan 0.000 0.421 457 E N 3.346 123.497 120.200 -0.082 0.000 2.789 457 E HA 0.602 4.951 4.350 -0.000 0.000 0.217 457 E C 0.172 176.867 176.600 0.158 0.000 0.970 457 E CA -0.457 55.911 56.400 -0.055 0.000 1.201 457 E CB 1.221 30.995 29.700 0.122 0.000 1.069 457 E HN 1.053 nan 8.360 nan 0.000 0.499 458 G N 1.665 110.565 108.800 0.166 0.000 2.320 458 G HA2 0.185 4.145 3.960 -0.000 0.000 0.296 458 G HA3 0.185 4.145 3.960 -0.000 0.000 0.296 458 G C -1.340 173.554 174.900 -0.011 0.000 1.306 458 G CA -0.315 44.831 45.100 0.077 0.000 0.836 458 G HN 0.086 nan 8.290 nan 0.000 0.517 459 N N -1.418 117.203 118.700 -0.131 0.000 2.377 459 N HA 0.176 4.916 4.740 -0.000 0.000 0.259 459 N C 0.174 175.575 175.510 -0.183 0.000 1.332 459 N CA -0.392 52.424 53.050 -0.390 0.000 0.877 459 N CB 0.246 38.488 38.487 -0.408 0.000 1.299 459 N HN 0.465 nan 8.380 nan 0.000 0.501 460 Y N 0.504 120.740 120.300 -0.106 0.000 2.284 460 Y HA 0.389 4.939 4.550 -0.000 0.000 0.293 460 Y C 0.565 176.419 175.900 -0.076 0.000 1.140 460 Y CA 0.983 59.055 58.100 -0.048 0.000 1.153 460 Y CB 0.381 38.823 38.460 -0.030 0.000 1.114 460 Y HN 0.117 nan 8.280 nan 0.000 0.521 461 T N -1.196 113.124 114.554 -0.391 0.000 2.665 461 T HA 0.372 4.721 4.350 -0.000 0.000 0.303 461 T C -2.014 171.862 174.700 -1.374 0.000 1.334 461 T CA -0.609 60.996 62.100 -0.826 0.000 1.011 461 T CB 0.289 68.848 68.868 -0.515 0.000 1.573 461 T HN 0.044 nan 8.240 nan 0.000 0.492 462 L N 2.265 122.750 121.223 -1.231 0.000 2.436 462 L HA 0.692 5.032 4.340 -0.000 0.000 0.265 462 L C 0.197 176.600 176.870 -0.779 0.000 1.168 462 L CA -0.012 54.114 54.840 -1.190 0.000 0.815 462 L CB 0.702 41.916 42.059 -1.408 0.000 1.109 462 L HN 0.630 nan 8.230 nan 0.000 0.462 463 R N 3.327 123.496 120.500 -0.551 0.000 2.513 463 R HA 0.714 5.053 4.340 -0.000 0.000 0.301 463 R C -2.111 174.018 176.300 -0.284 0.000 0.968 463 R CA -0.614 55.306 56.100 -0.301 0.000 0.872 463 R CB 1.558 31.756 30.300 -0.170 0.000 1.177 463 R HN 0.528 nan 8.270 nan 0.000 0.444 464 V N 3.769 123.583 119.914 -0.166 0.000 2.656 464 V HA 0.406 4.525 4.120 -0.000 0.000 0.307 464 V C -1.139 174.904 176.094 -0.085 0.000 1.051 464 V CA -0.867 61.356 62.300 -0.128 0.000 0.893 464 V CB 2.187 33.966 31.823 -0.074 0.000 0.999 464 V HN 0.782 nan 8.190 nan 0.000 0.426 465 D N 3.198 123.513 120.400 -0.141 0.000 2.649 465 D HA 0.792 5.432 4.640 -0.000 0.000 0.249 465 D C -0.539 175.599 176.300 -0.270 0.000 1.112 465 D CA -0.047 53.836 54.000 -0.196 0.000 0.850 465 D CB 1.957 42.605 40.800 -0.252 0.000 1.399 465 D HN 0.943 nan 8.370 nan 0.000 0.503 466 C N -0.755 118.394 119.300 -0.251 0.000 3.259 466 C HA 0.686 5.146 4.460 -0.000 0.000 0.344 466 C C 0.188 174.957 174.990 -0.369 0.000 1.401 466 C CA -0.945 57.871 59.018 -0.336 0.000 1.219 466 C CB 1.130 28.777 27.740 -0.155 0.000 1.521 466 C HN 0.556 nan 8.230 nan 0.000 0.455 467 T N 1.616 115.886 114.554 -0.474 0.000 2.932 467 T HA 0.312 4.662 4.350 -0.000 0.000 0.312 467 T C -1.292 173.038 174.700 -0.616 0.000 1.071 467 T CA 0.065 61.911 62.100 -0.422 0.000 1.128 467 T CB 0.447 69.208 68.868 -0.179 0.000 0.984 467 T HN 0.678 nan 8.240 nan 0.000 0.549 468 P HA -0.034 nan 4.420 nan 0.000 0.218 468 P C 1.516 178.248 177.300 -0.946 0.000 1.146 468 P CA 0.972 63.063 63.100 -1.680 0.000 0.813 468 P CB -0.031 30.835 31.700 -1.391 0.000 0.778 469 L N -2.308 118.585 121.223 -0.551 0.000 2.353 469 L HA -0.093 4.247 4.340 -0.000 0.000 0.220 469 L C 2.035 178.857 176.870 -0.080 0.000 1.133 469 L CA 1.272 55.961 54.840 -0.251 0.000 0.798 469 L CB -0.606 41.187 42.059 -0.444 0.000 0.922 469 L HN 0.076 nan 8.230 nan 0.000 0.445 470 M N -2.448 117.082 119.600 -0.116 0.000 2.356 470 M HA 0.045 4.524 4.480 -0.000 0.000 0.262 470 M C 1.226 177.592 176.300 0.109 0.000 1.097 470 M CA -0.135 55.217 55.300 0.086 0.000 0.991 470 M CB 0.413 33.080 32.600 0.111 0.000 1.450 470 M HN 0.050 nan 8.290 nan 0.000 0.495 471 Y N 0.018 120.251 120.300 -0.113 0.000 2.128 471 Y HA -0.202 4.347 4.550 -0.001 0.000 0.284 471 Y C 2.845 178.493 175.900 -0.419 0.000 1.154 471 Y CA 1.368 59.303 58.100 -0.275 0.000 1.149 471 Y CB -1.196 37.112 38.460 -0.253 0.000 0.976 471 Y HN 0.259 nan 8.280 nan 0.000 0.505 472 S N -0.162 115.541 115.700 0.005 0.000 2.383 472 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 472 S C 2.162 176.799 174.600 0.063 0.000 1.026 472 S CA 0.950 59.165 58.200 0.025 0.000 0.981 472 S CB -0.588 62.675 63.200 0.105 0.000 0.818 472 S HN 0.333 nan 8.310 nan 0.000 0.472 473 L N 1.842 123.122 121.223 0.094 0.000 2.012 473 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 473 L C 2.238 179.180 176.870 0.119 0.000 1.073 473 L CA 1.847 56.755 54.840 0.113 0.000 0.748 473 L CB -0.918 41.223 42.059 0.137 0.000 0.891 473 L HN 0.224 nan 8.230 nan 0.000 0.431 474 V N -0.287 119.690 119.914 0.105 0.000 2.343 474 V HA -0.325 3.794 4.120 -0.000 0.000 0.247 474 V C 2.401 178.684 176.094 0.314 0.000 1.051 474 V CA 2.205 64.608 62.300 0.171 0.000 1.036 474 V CB -1.006 30.922 31.823 0.174 0.000 0.654 474 V HN 0.630 nan 8.190 nan 0.000 0.451 475 H N -0.022 119.207 119.070 0.266 0.000 2.321 475 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 475 H C 2.367 177.761 175.328 0.110 0.000 1.087 475 H CA 1.520 57.725 56.048 0.261 0.000 1.319 475 H CB 0.017 29.863 29.762 0.140 0.000 1.379 475 H HN 0.377 nan 8.280 nan 0.000 0.501 476 N N 0.610 119.426 118.700 0.194 0.000 2.142 476 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 476 N C 1.921 177.490 175.510 0.098 0.000 1.023 476 N CA 0.586 53.690 53.050 0.090 0.000 0.852 476 N CB -0.351 38.183 38.487 0.078 0.000 0.998 476 N HN 0.201 nan 8.380 nan 0.000 0.424 477 L N 1.049 122.352 121.223 0.133 0.000 2.027 477 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 477 L C 2.181 179.130 176.870 0.132 0.000 1.074 477 L CA 1.902 56.811 54.840 0.116 0.000 0.745 477 L CB -1.405 40.724 42.059 0.117 0.000 0.898 477 L HN 0.340 nan 8.230 nan 0.000 0.433 478 T N -3.634 111.048 114.554 0.212 0.000 2.962 478 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 478 T C 1.803 176.652 174.700 0.248 0.000 1.088 478 T CA 1.276 63.530 62.100 0.256 0.000 1.127 478 T CB -0.511 68.613 68.868 0.427 0.000 0.883 478 T HN 0.393 nan 8.240 nan 0.000 0.493 479 K N 0.664 121.167 120.400 0.172 0.000 2.283 479 K HA 0.018 4.337 4.320 -0.000 0.000 0.202 479 K C 1.985 178.619 176.600 0.058 0.000 1.048 479 K CA 0.877 57.206 56.287 0.070 0.000 0.948 479 K CB 0.089 32.527 32.500 -0.104 0.000 0.742 479 K HN 0.349 nan 8.250 nan 0.000 0.458 480 E N 0.270 120.504 120.200 0.058 0.000 2.472 480 E HA 0.108 4.458 4.350 -0.000 0.000 0.196 480 E C 0.350 176.969 176.600 0.031 0.000 1.033 480 E CA 0.227 56.647 56.400 0.032 0.000 0.886 480 E CB 0.348 30.060 29.700 0.020 0.000 0.944 480 E HN 0.243 nan 8.360 nan 0.000 0.492 481 L N 1.066 122.321 121.223 0.055 0.000 2.360 481 L HA 0.321 4.661 4.340 -0.000 0.000 0.271 481 L C 0.554 177.454 176.870 0.051 0.000 1.057 481 L CA -0.653 54.212 54.840 0.041 0.000 0.803 481 L CB 1.211 43.298 42.059 0.048 0.000 1.207 481 L HN -0.342 nan 8.230 nan 0.000 0.445 482 K N 1.073 121.489 120.400 0.028 0.000 2.249 482 K HA 0.209 4.529 4.320 -0.000 0.000 0.280 482 K C -0.147 176.481 176.600 0.047 0.000 1.033 482 K CA -0.265 56.043 56.287 0.035 0.000 0.946 482 K CB 1.523 34.028 32.500 0.008 0.000 1.005 482 K HN 0.497 nan 8.250 nan 0.000 0.469 483 S N 2.797 118.542 115.700 0.074 0.000 2.548 483 S HA 0.168 4.637 4.470 -0.000 0.000 0.277 483 S C -1.536 173.103 174.600 0.064 0.000 1.315 483 S CA -1.355 56.892 58.200 0.079 0.000 1.050 483 S CB 0.538 63.798 63.200 0.099 0.000 0.918 483 S HN 0.446 nan 8.310 nan 0.000 0.497 484 P HA 0.260 nan 4.420 nan 0.000 0.261 484 P C -0.723 176.601 177.300 0.040 0.000 1.268 484 P CA -0.113 62.959 63.100 -0.045 0.000 0.833 484 P CB 0.004 31.580 31.700 -0.208 0.000 1.231 485 D N 0.987 121.489 120.400 0.170 0.000 2.302 485 D HA 0.095 4.735 4.640 -0.000 0.000 0.248 485 D C 0.294 176.757 176.300 0.273 0.000 1.094 485 D CA -0.104 54.056 54.000 0.266 0.000 0.897 485 D CB 0.878 41.820 40.800 0.235 0.000 1.200 485 D HN 0.106 nan 8.370 nan 0.000 0.429 486 E N 0.251 120.592 120.200 0.235 0.000 2.414 486 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 486 E C 1.017 177.724 176.600 0.178 0.000 1.000 486 E CA 0.467 56.967 56.400 0.167 0.000 0.914 486 E CB 0.204 29.984 29.700 0.134 0.000 0.948 486 E HN 0.620 nan 8.360 nan 0.000 0.444 487 G N 3.771 112.607 108.800 0.060 0.000 2.241 487 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 487 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 487 G C 0.373 175.105 174.900 -0.281 0.000 0.998 487 G CA 0.243 45.277 45.100 -0.110 0.000 0.621 487 G HN 0.566 nan 8.290 nan 0.000 0.519 488 F N 1.897 121.864 119.950 0.029 0.000 2.708 488 F HA 0.457 4.984 4.527 -0.000 0.000 0.300 488 F C 0.743 176.557 175.800 0.024 0.000 1.118 488 F CA -0.567 57.450 58.000 0.029 0.000 1.307 488 F CB 0.628 39.652 39.000 0.039 0.000 0.986 488 F HN 0.011 nan 8.300 nan 0.000 0.522 489 E N 0.369 120.632 120.200 0.105 0.000 2.480 489 E HA 0.320 4.670 4.350 -0.000 0.000 0.258 489 E C 1.274 177.908 176.600 0.057 0.000 0.984 489 E CA 1.191 57.631 56.400 0.067 0.000 0.930 489 E CB 0.171 29.888 29.700 0.027 0.000 0.936 489 E HN 0.454 nan 8.360 nan 0.000 0.466 490 G N 2.206 111.041 108.800 0.057 0.000 2.179 490 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 490 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 490 G C 0.113 175.054 174.900 0.069 0.000 0.977 490 G CA 0.109 45.237 45.100 0.046 0.000 0.641 490 G HN 0.308 nan 8.290 nan 0.000 0.533 491 K N 0.820 121.290 120.400 0.116 0.000 2.185 491 K HA 0.691 5.011 4.320 -0.000 0.000 0.240 491 K C 0.841 177.529 176.600 0.146 0.000 0.983 491 K CA 0.072 56.450 56.287 0.151 0.000 0.873 491 K CB 1.415 34.067 32.500 0.252 0.000 1.118 491 K HN 0.554 nan 8.250 nan 0.000 0.441 492 S N 0.129 115.918 115.700 0.148 0.000 2.603 492 S HA 0.072 4.542 4.470 -0.000 0.000 0.268 492 S C 1.201 175.889 174.600 0.147 0.000 1.317 492 S CA -0.551 57.733 58.200 0.141 0.000 1.012 492 S CB 0.543 63.837 63.200 0.157 0.000 0.926 492 S HN 0.537 nan 8.310 nan 0.000 0.539 493 L N 1.505 122.813 121.223 0.141 0.000 2.083 493 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 493 L C 2.099 179.095 176.870 0.211 0.000 1.083 493 L CA 1.754 56.670 54.840 0.128 0.000 0.752 493 L CB -1.393 40.734 42.059 0.114 0.000 0.899 493 L HN 0.906 nan 8.230 nan 0.000 0.433 494 Y N 0.562 120.959 120.300 0.162 0.000 2.165 494 Y HA -0.313 4.237 4.550 -0.000 0.000 0.286 494 Y C 2.636 178.577 175.900 0.068 0.000 1.155 494 Y CA 2.300 60.513 58.100 0.188 0.000 1.164 494 Y CB -0.107 38.421 38.460 0.113 0.000 0.978 494 Y HN 0.503 nan 8.280 nan 0.000 0.513 495 E N -0.368 119.955 120.200 0.206 0.000 2.047 495 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 495 E C 2.292 178.865 176.600 -0.044 0.000 0.987 495 E CA 1.760 58.234 56.400 0.124 0.000 0.799 495 E CB -0.269 29.564 29.700 0.221 0.000 0.752 495 E HN 0.577 nan 8.360 nan 0.000 0.449 496 S N -0.137 115.425 115.700 -0.230 0.000 2.368 496 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 496 S C 1.870 176.158 174.600 -0.519 0.000 1.029 496 S CA 0.846 58.481 58.200 -0.942 0.000 0.988 496 S CB -0.879 61.490 63.200 -1.386 0.000 0.838 496 S HN 0.600 nan 8.310 nan 0.000 0.462 497 W N 2.958 123.969 121.300 -0.481 0.000 2.355 497 W HA -0.033 4.627 4.660 -0.000 0.000 0.309 497 W C 2.217 178.493 176.519 -0.405 0.000 1.206 497 W CA 1.866 58.953 57.345 -0.430 0.000 1.284 497 W CB -1.189 28.061 29.460 -0.350 0.000 1.145 497 W HN 0.303 nan 8.180 nan 0.000 0.502 498 T N 0.664 114.895 114.554 -0.539 0.000 2.821 498 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 498 T C 1.678 176.178 174.700 -0.334 0.000 1.046 498 T CA 1.985 63.697 62.100 -0.647 0.000 1.139 498 T CB -0.278 68.140 68.868 -0.750 0.000 0.871 498 T HN -0.025 nan 8.240 nan 0.000 0.454 499 K N 1.587 121.868 120.400 -0.198 0.000 2.025 499 K HA 0.018 4.338 4.320 -0.000 0.000 0.207 499 K C 2.020 178.588 176.600 -0.053 0.000 1.049 499 K CA 1.516 57.774 56.287 -0.048 0.000 0.933 499 K CB -0.112 32.479 32.500 0.152 0.000 0.714 499 K HN 0.189 nan 8.250 nan 0.000 0.438 500 K N -0.843 119.481 120.400 -0.127 0.000 2.243 500 K HA 0.070 4.390 4.320 -0.000 0.000 0.201 500 K C 0.377 176.973 176.600 -0.006 0.000 1.051 500 K CA 0.813 57.055 56.287 -0.074 0.000 0.970 500 K CB 0.253 32.531 32.500 -0.370 0.000 0.755 500 K HN -0.031 nan 8.250 nan 0.000 0.465 501 S N 1.588 117.217 115.700 -0.118 0.000 2.235 501 S HA 0.235 4.704 4.470 -0.000 0.000 0.152 501 S C -2.776 171.651 174.600 -0.288 0.000 1.649 501 S CA -1.650 56.463 58.200 -0.145 0.000 1.277 501 S CB 0.485 63.645 63.200 -0.067 0.000 1.299 501 S HN -0.073 nan 8.310 nan 0.000 0.388 502 P HA 0.109 nan 4.420 nan 0.000 0.271 502 P C 0.010 177.171 177.300 -0.232 0.000 1.218 502 P CA 0.006 62.958 63.100 -0.247 0.000 0.780 502 P CB 0.797 32.406 31.700 -0.152 0.000 0.901 503 S N 3.527 119.080 115.700 -0.245 0.000 2.552 503 S HA 0.068 4.538 4.470 -0.000 0.000 0.289 503 S C -0.985 173.535 174.600 -0.133 0.000 1.304 503 S CA -0.909 57.186 58.200 -0.176 0.000 1.063 503 S CB -0.373 62.767 63.200 -0.099 0.000 0.848 503 S HN 0.329 nan 8.310 nan 0.000 0.499 504 P HA -0.035 nan 4.420 nan 0.000 0.219 504 P C 0.556 177.750 177.300 -0.176 0.000 1.150 504 P CA 1.132 64.158 63.100 -0.123 0.000 0.814 504 P CB 0.110 31.751 31.700 -0.099 0.000 0.787 505 E N -1.451 118.603 120.200 -0.243 0.000 2.190 505 E HA 0.111 4.461 4.350 -0.000 0.000 0.191 505 E C 0.087 176.214 176.600 -0.788 0.000 0.978 505 E CA 0.591 56.646 56.400 -0.574 0.000 0.839 505 E CB -0.110 29.136 29.700 -0.757 0.000 0.787 505 E HN 0.269 nan 8.360 nan 0.000 0.473 506 F N -0.039 119.864 119.950 -0.078 0.000 2.557 506 F HA 0.363 4.890 4.527 -0.000 0.000 0.316 506 F C -0.047 175.695 175.800 -0.097 0.000 1.141 506 F CA -1.100 56.856 58.000 -0.074 0.000 0.922 506 F CB 2.032 40.990 39.000 -0.069 0.000 1.194 506 F HN -0.346 nan 8.300 nan 0.000 0.443 507 S N 1.454 117.216 115.700 0.103 0.000 2.533 507 S HA 0.403 4.873 4.470 -0.000 0.000 0.282 507 S C 0.927 175.535 174.600 0.014 0.000 1.304 507 S CA 0.907 59.123 58.200 0.027 0.000 1.063 507 S CB 0.613 63.826 63.200 0.023 0.000 0.881 507 S HN 1.171 nan 8.310 nan 0.000 0.493 508 G N 2.688 111.464 108.800 -0.040 0.000 2.176 508 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.253 508 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.253 508 G C -0.030 174.812 174.900 -0.096 0.000 0.979 508 G CA 0.052 45.126 45.100 -0.043 0.000 0.641 508 G HN 0.496 nan 8.290 nan 0.000 0.530 509 M N 0.750 120.243 119.600 -0.178 0.000 2.664 509 M HA 0.559 5.039 4.480 -0.000 0.000 0.314 509 M C -2.545 173.430 176.300 -0.541 0.000 1.200 509 M CA -2.686 52.408 55.300 -0.344 0.000 0.916 509 M CB 1.430 33.896 32.600 -0.224 0.000 1.717 509 M HN 0.019 nan 8.290 nan 0.000 0.470 510 P HA 0.394 nan 4.420 nan 0.000 0.283 510 P C -0.969 175.890 177.300 -0.735 0.000 1.271 510 P CA -0.732 61.703 63.100 -1.109 0.000 0.841 510 P CB 1.350 31.656 31.700 -2.322 0.000 1.122 511 R N 1.896 122.054 120.500 -0.569 0.000 2.401 511 R HA 0.376 4.716 4.340 -0.000 0.000 0.299 511 R C -0.598 175.594 176.300 -0.180 0.000 1.064 511 R CA -0.081 55.836 56.100 -0.306 0.000 1.000 511 R CB -0.330 29.825 30.300 -0.241 0.000 0.973 511 R HN 0.471 nan 8.270 nan 0.000 0.438 512 I N 3.061 123.514 120.570 -0.195 0.000 2.466 512 I HA 0.203 4.372 4.170 -0.000 0.000 0.289 512 I C -0.315 175.721 176.117 -0.135 0.000 1.026 512 I CA -0.608 60.616 61.300 -0.127 0.000 1.078 512 I CB 2.326 40.152 38.000 -0.289 0.000 1.249 512 I HN 0.618 nan 8.210 nan 0.000 0.429 513 S N 4.706 120.349 115.700 -0.095 0.000 2.687 513 S HA 0.425 4.895 4.470 -0.000 0.000 0.283 513 S C -0.276 174.273 174.600 -0.085 0.000 1.170 513 S CA -0.911 57.236 58.200 -0.088 0.000 1.008 513 S CB 1.437 64.559 63.200 -0.130 0.000 1.026 513 S HN 0.593 nan 8.310 nan 0.000 0.541 514 K N 0.523 120.872 120.400 -0.085 0.000 2.138 514 K HA 0.389 4.709 4.320 -0.000 0.000 0.251 514 K C -0.794 175.604 176.600 -0.336 0.000 1.015 514 K CA -0.563 55.576 56.287 -0.247 0.000 0.917 514 K CB 0.213 32.590 32.500 -0.204 0.000 1.021 514 K HN 0.404 nan 8.250 nan 0.000 0.485 515 L N 1.766 122.660 121.223 -0.548 0.000 2.380 515 L HA 0.194 4.533 4.340 -0.000 0.000 0.273 515 L C 1.009 177.759 176.870 -0.201 0.000 1.138 515 L CA -0.031 54.513 54.840 -0.493 0.000 0.832 515 L CB 1.190 42.754 42.059 -0.824 0.000 1.124 515 L HN 1.016 nan 8.230 nan 0.000 0.454 516 G N 1.142 109.945 108.800 0.005 0.000 3.329 516 G HA2 0.460 4.420 3.960 -0.000 0.000 0.180 516 G HA3 0.460 4.420 3.960 -0.000 0.000 0.180 516 G C -0.317 174.755 174.900 0.288 0.000 1.640 516 G CA 0.079 45.246 45.100 0.112 0.000 1.018 516 G HN 0.557 nan 8.290 nan 0.000 0.581 517 S N -3.762 112.063 115.700 0.209 0.000 2.973 517 S HA 0.527 4.997 4.470 -0.000 0.000 0.317 517 S C 0.444 175.057 174.600 0.022 0.000 1.196 517 S CA 0.832 59.054 58.200 0.037 0.000 0.894 517 S CB 0.735 63.869 63.200 -0.110 0.000 1.292 517 S HN 2.264 nan 8.310 nan 0.000 0.614 518 G N 1.302 110.004 108.800 -0.162 0.000 2.137 518 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.237 518 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.237 518 G C -0.245 174.630 174.900 -0.041 0.000 1.002 518 G CA 0.385 45.458 45.100 -0.045 0.000 0.702 518 G HN 0.720 nan 8.290 nan 0.000 0.515 519 N N -1.326 117.175 118.700 -0.332 0.000 3.179 519 N HA 0.214 4.954 4.740 -0.000 0.000 0.250 519 N C -0.419 174.795 175.510 -0.493 0.000 1.507 519 N CA -0.419 52.474 53.050 -0.262 0.000 0.883 519 N CB 0.796 39.309 38.487 0.045 0.000 1.435 519 N HN -0.145 nan 8.380 nan 0.000 0.532 520 D N 0.357 120.690 120.400 -0.113 0.000 2.371 520 D HA -0.004 4.636 4.640 -0.000 0.000 0.221 520 D C 1.506 177.790 176.300 -0.025 0.000 0.986 520 D CA 0.575 54.525 54.000 -0.084 0.000 0.899 520 D CB -0.093 40.789 40.800 0.137 0.000 0.902 520 D HN 0.459 nan 8.370 nan 0.000 0.530 521 F N 0.475 120.561 119.950 0.228 0.000 2.699 521 F HA 0.149 4.676 4.527 -0.000 0.000 0.298 521 F C 1.896 177.786 175.800 0.151 0.000 1.154 521 F CA 0.044 58.141 58.000 0.161 0.000 1.457 521 F CB -0.565 38.619 39.000 0.307 0.000 1.106 521 F HN -0.156 nan 8.300 nan 0.000 0.585 522 E N 1.138 121.134 120.200 -0.339 0.000 2.058 522 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 522 E C 2.324 178.931 176.600 0.013 0.000 0.997 522 E CA 1.632 57.965 56.400 -0.111 0.000 0.801 522 E CB -0.310 29.253 29.700 -0.228 0.000 0.746 522 E HN 0.347 nan 8.360 nan 0.000 0.450 523 V N 0.003 119.796 119.914 -0.202 0.000 2.343 523 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 523 V C 1.830 177.762 176.094 -0.270 0.000 1.051 523 V CA 1.789 63.889 62.300 -0.333 0.000 1.036 523 V CB -0.459 31.001 31.823 -0.605 0.000 0.654 523 V HN 0.306 nan 8.190 nan 0.000 0.451 524 F N -1.047 118.887 119.950 -0.027 0.000 2.206 524 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 524 F C 1.966 177.915 175.800 0.248 0.000 1.090 524 F CA 2.042 60.084 58.000 0.069 0.000 1.323 524 F CB -0.674 38.279 39.000 -0.078 0.000 1.028 524 F HN 0.272 nan 8.300 nan 0.000 0.492 525 F N 0.803 120.939 119.950 0.310 0.000 2.148 525 F HA -0.028 4.499 4.527 -0.001 0.000 0.285 525 F C 2.286 178.245 175.800 0.264 0.000 1.092 525 F CA 1.375 59.547 58.000 0.287 0.000 1.218 525 F CB -0.737 38.427 39.000 0.273 0.000 1.059 525 F HN -0.196 nan 8.300 nan 0.000 0.490 526 Q N -0.285 119.638 119.800 0.205 0.000 2.331 526 Q HA 0.010 4.350 4.340 -0.000 0.000 0.203 526 Q C 2.208 178.301 176.000 0.155 0.000 0.944 526 Q CA 0.821 56.673 55.803 0.082 0.000 0.892 526 Q CB -0.037 28.763 28.738 0.103 0.000 0.983 526 Q HN 0.306 nan 8.270 nan 0.000 0.482 527 R N -0.223 120.359 120.500 0.136 0.000 2.074 527 R HA 0.114 4.454 4.340 -0.000 0.000 0.218 527 R C 1.441 177.783 176.300 0.070 0.000 1.137 527 R CA 0.687 56.848 56.100 0.101 0.000 0.998 527 R CB 0.161 30.483 30.300 0.038 0.000 0.895 527 R HN 0.236 nan 8.270 nan 0.000 0.442 528 L N -0.509 120.755 121.223 0.067 0.000 2.554 528 L HA 0.298 4.638 4.340 -0.000 0.000 0.225 528 L C 0.795 177.746 176.870 0.134 0.000 1.104 528 L CA 0.475 55.366 54.840 0.085 0.000 0.866 528 L CB 0.601 42.711 42.059 0.085 0.000 1.047 528 L HN 0.570 nan 8.230 nan 0.000 0.468 529 G N 1.666 110.558 108.800 0.153 0.000 2.212 529 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.255 529 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.255 529 G C -0.090 174.962 174.900 0.254 0.000 1.062 529 G CA -0.188 45.008 45.100 0.160 0.000 0.815 529 G HN 0.266 nan 8.290 nan 0.000 0.497 530 I N 1.050 121.835 120.570 0.357 0.000 2.336 530 I HA 0.566 4.736 4.170 -0.000 0.000 0.292 530 I C 1.101 177.511 176.117 0.489 0.000 0.991 530 I CA -0.618 60.914 61.300 0.387 0.000 1.227 530 I CB 1.696 39.955 38.000 0.432 0.000 1.366 530 I HN 0.368 nan 8.210 nan 0.000 0.466 531 A N 5.144 128.177 122.820 0.356 0.000 2.566 531 A HA 0.350 4.670 4.320 -0.000 0.000 0.245 531 A C 0.059 177.793 177.584 0.249 0.000 1.056 531 A CA 0.517 52.712 52.037 0.264 0.000 0.757 531 A CB -0.079 18.860 19.000 -0.100 0.000 0.979 531 A HN 0.688 nan 8.150 nan 0.000 0.508 532 S N 0.275 116.012 115.700 0.062 0.000 2.595 532 S HA 0.903 5.373 4.470 -0.000 0.000 0.281 532 S C 0.097 174.536 174.600 -0.267 0.000 1.117 532 S CA -0.040 58.154 58.200 -0.010 0.000 0.873 532 S CB 2.268 65.491 63.200 0.040 0.000 1.108 532 S HN 1.592 nan 8.310 nan 0.000 0.477 533 G N 0.735 109.426 108.800 -0.181 0.000 2.660 533 G HA2 0.773 4.733 3.960 -0.000 0.000 0.290 533 G HA3 0.773 4.733 3.960 -0.000 0.000 0.290 533 G C -1.860 172.924 174.900 -0.194 0.000 1.432 533 G CA -0.935 44.016 45.100 -0.248 0.000 0.807 533 G HN 0.806 nan 8.290 nan 0.000 0.485 534 R N -1.228 119.156 120.500 -0.193 0.000 2.710 534 R HA 0.854 5.194 4.340 -0.000 0.000 0.270 534 R C -1.358 174.883 176.300 -0.099 0.000 1.021 534 R CA -0.861 55.178 56.100 -0.102 0.000 0.889 534 R CB 1.695 31.946 30.300 -0.081 0.000 1.243 534 R HN 1.587 nan 8.270 nan 0.000 0.464 535 A N 1.661 124.443 122.820 -0.063 0.000 2.547 535 A HA 0.806 5.126 4.320 -0.000 0.000 0.297 535 A C -1.213 176.333 177.584 -0.064 0.000 1.056 535 A CA -0.931 51.042 52.037 -0.106 0.000 0.688 535 A CB 1.752 20.673 19.000 -0.131 0.000 1.282 535 A HN 1.005 nan 8.150 nan 0.000 0.400 536 R N 0.095 120.538 120.500 -0.096 0.000 2.733 536 R HA 0.605 4.945 4.340 -0.000 0.000 0.272 536 R C -1.845 174.415 176.300 -0.066 0.000 1.029 536 R CA -0.833 55.245 56.100 -0.036 0.000 0.888 536 R CB 0.621 30.918 30.300 -0.006 0.000 1.251 536 R HN 0.494 nan 8.270 nan 0.000 0.464 537 Y N 0.180 120.393 120.300 -0.144 0.000 2.299 537 Y HA 0.465 5.015 4.550 -0.001 0.000 0.326 537 Y C 0.452 176.295 175.900 -0.096 0.000 1.164 537 Y CA 0.845 58.849 58.100 -0.160 0.000 1.234 537 Y CB 2.022 40.359 38.460 -0.205 0.000 1.219 537 Y HN 0.730 nan 8.280 nan 0.000 0.497 538 T N 3.078 117.568 114.554 -0.106 0.000 2.838 538 T HA 0.417 4.766 4.350 -0.000 0.000 0.292 538 T C -0.935 173.838 174.700 0.122 0.000 1.113 538 T CA -1.037 61.103 62.100 0.067 0.000 1.008 538 T CB 0.913 69.883 68.868 0.170 0.000 1.259 538 T HN 0.642 nan 8.240 nan 0.000 0.520 539 K N 1.441 121.942 120.400 0.168 0.000 2.155 539 K HA 0.395 4.715 4.320 -0.000 0.000 0.237 539 K C -0.080 176.622 176.600 0.169 0.000 1.040 539 K CA -0.763 55.578 56.287 0.091 0.000 0.912 539 K CB 0.222 32.686 32.500 -0.061 0.000 1.137 539 K HN 0.427 nan 8.250 nan 0.000 0.498 540 N N 0.620 119.223 118.700 -0.161 0.000 2.401 540 N HA 0.016 4.756 4.740 -0.000 0.000 0.255 540 N C -0.358 175.092 175.510 -0.100 0.000 1.110 540 N CA -0.394 52.425 53.050 -0.386 0.000 0.949 540 N CB 0.017 37.887 38.487 -1.027 0.000 1.110 540 N HN 0.613 nan 8.380 nan 0.000 0.490 541 W N 2.171 123.335 121.300 -0.226 0.000 2.525 541 W HA 0.054 4.714 4.660 -0.000 0.000 0.259 541 W C 1.724 178.127 176.519 -0.193 0.000 1.253 541 W CA 0.067 57.285 57.345 -0.212 0.000 1.262 541 W CB 0.154 29.528 29.460 -0.144 0.000 1.122 541 W HN 0.590 nan 8.180 nan 0.000 0.607 542 E N -0.792 119.424 120.200 0.027 0.000 2.046 542 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 542 E C 2.025 178.585 176.600 -0.068 0.000 0.982 542 E CA 2.106 58.496 56.400 -0.018 0.000 0.800 542 E CB -0.990 28.699 29.700 -0.018 0.000 0.756 542 E HN 0.331 nan 8.360 nan 0.000 0.449 543 T N -1.043 113.444 114.554 -0.112 0.000 3.107 543 T HA 0.102 4.452 4.350 -0.000 0.000 0.249 543 T C 0.565 175.206 174.700 -0.098 0.000 1.096 543 T CA -0.269 61.777 62.100 -0.090 0.000 1.012 543 T CB 0.061 68.876 68.868 -0.087 0.000 0.977 543 T HN -0.153 nan 8.240 nan 0.000 0.527 544 N N 1.989 120.563 118.700 -0.209 0.000 2.483 544 N HA 0.233 4.973 4.740 -0.000 0.000 0.267 544 N C 0.464 175.665 175.510 -0.514 0.000 0.998 544 N CA -0.417 52.408 53.050 -0.375 0.000 0.918 544 N CB 2.191 40.274 38.487 -0.673 0.000 1.215 544 N HN 0.400 nan 8.380 nan 0.000 0.500 545 K N 2.522 122.740 120.400 -0.304 0.000 2.361 545 K HA 0.024 4.343 4.320 -0.000 0.000 0.196 545 K C 0.314 176.746 176.600 -0.280 0.000 1.039 545 K CA 0.102 56.242 56.287 -0.246 0.000 1.001 545 K CB 0.015 32.461 32.500 -0.091 0.000 0.795 545 K HN 0.385 nan 8.250 nan 0.000 0.495 546 F N 2.288 122.119 119.950 -0.197 0.000 2.539 546 F HA 0.200 4.727 4.527 -0.000 0.000 0.340 546 F C -0.159 175.410 175.800 -0.385 0.000 1.185 546 F CA -1.007 56.826 58.000 -0.278 0.000 1.333 546 F CB 0.129 39.018 39.000 -0.184 0.000 1.152 546 F HN -0.122 nan 8.300 nan 0.000 0.602 547 S N 0.920 116.438 115.700 -0.304 0.000 2.480 547 S HA 0.645 5.115 4.470 -0.000 0.000 0.286 547 S C 0.527 174.992 174.600 -0.226 0.000 1.180 547 S CA -0.431 57.547 58.200 -0.370 0.000 1.075 547 S CB 0.652 63.631 63.200 -0.368 0.000 0.996 547 S HN 1.676 nan 8.310 nan 0.000 0.487 548 G N 2.197 110.821 108.800 -0.293 0.000 2.596 548 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.295 548 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.295 548 G C -0.369 174.608 174.900 0.129 0.000 1.240 548 G CA 0.692 45.662 45.100 -0.217 0.000 0.985 548 G HN 1.482 nan 8.290 nan 0.000 0.555 549 Y N -1.670 118.698 120.300 0.114 0.000 2.487 549 Y HA 0.726 5.276 4.550 -0.000 0.000 0.337 549 Y C -1.688 174.387 175.900 0.291 0.000 1.076 549 Y CA -2.150 56.108 58.100 0.264 0.000 1.115 549 Y CB 1.205 39.790 38.460 0.209 0.000 1.235 549 Y HN 0.201 nan 8.280 nan 0.000 0.468 550 P HA -0.096 nan 4.420 nan 0.000 0.218 550 P C 0.851 178.320 177.300 0.281 0.000 1.149 550 P CA 1.477 64.758 63.100 0.303 0.000 0.817 550 P CB 0.279 32.068 31.700 0.148 0.000 0.785 551 L N -2.881 118.548 121.223 0.344 0.000 2.629 551 L HA 0.099 4.438 4.340 -0.000 0.000 0.230 551 L C 0.606 177.600 176.870 0.207 0.000 1.151 551 L CA -0.703 54.312 54.840 0.292 0.000 0.924 551 L CB -0.788 41.478 42.059 0.345 0.000 1.137 551 L HN -0.007 nan 8.230 nan 0.000 0.457 552 Y N 1.718 121.848 120.300 -0.283 0.000 2.865 552 Y HA -0.214 4.336 4.550 -0.000 0.000 0.338 552 Y C 1.168 176.999 175.900 -0.116 0.000 1.269 552 Y CA 0.462 58.260 58.100 -0.503 0.000 1.585 552 Y CB -0.650 37.258 38.460 -0.921 0.000 1.224 552 Y HN 0.246 nan 8.280 nan 0.000 0.554 553 H N 1.935 120.777 119.070 -0.379 0.000 2.958 553 H HA -0.228 4.328 4.556 -0.000 0.000 0.274 553 H C 0.326 175.501 175.328 -0.256 0.000 1.184 553 H CA 0.417 56.232 56.048 -0.389 0.000 1.143 553 H CB -1.114 28.155 29.762 -0.822 0.000 1.297 553 H HN 0.549 nan 8.280 nan 0.000 0.356 554 S N -0.427 115.265 115.700 -0.014 0.000 2.690 554 S HA 0.353 4.823 4.470 -0.000 0.000 0.291 554 S C 1.221 175.771 174.600 -0.083 0.000 1.138 554 S CA -0.130 58.038 58.200 -0.053 0.000 1.013 554 S CB 2.203 65.429 63.200 0.043 0.000 1.053 554 S HN 0.161 nan 8.310 nan 0.000 0.539 555 V N 2.978 122.739 119.914 -0.254 0.000 2.867 555 V HA -0.059 4.061 4.120 -0.000 0.000 0.260 555 V C 0.947 176.882 176.094 -0.265 0.000 1.099 555 V CA 1.717 63.853 62.300 -0.272 0.000 1.122 555 V CB -1.048 30.560 31.823 -0.358 0.000 0.708 555 V HN 0.892 nan 8.190 nan 0.000 0.490 556 Y N 0.043 120.342 120.300 -0.003 0.000 2.529 556 Y HA 0.241 4.791 4.550 -0.001 0.000 0.290 556 Y C 1.481 177.194 175.900 -0.311 0.000 1.177 556 Y CA -0.255 57.702 58.100 -0.239 0.000 1.305 556 Y CB -0.190 38.109 38.460 -0.268 0.000 1.047 556 Y HN 0.296 nan 8.280 nan 0.000 0.522 557 E N 2.025 122.256 120.200 0.051 0.000 1.791 557 E HA 0.075 4.425 4.350 -0.000 0.000 0.263 557 E C 0.049 176.727 176.600 0.129 0.000 1.213 557 E CA -0.031 56.440 56.400 0.119 0.000 0.991 557 E CB 0.069 29.907 29.700 0.230 0.000 1.068 557 E HN 0.297 nan 8.360 nan 0.000 0.417 558 T N -1.127 113.464 114.554 0.062 0.000 2.910 558 T HA 0.109 4.459 4.350 -0.000 0.000 0.287 558 T C 0.809 175.641 174.700 0.220 0.000 1.050 558 T CA -0.792 61.367 62.100 0.099 0.000 1.011 558 T CB 0.705 69.560 68.868 -0.021 0.000 1.195 558 T HN 0.356 nan 8.240 nan 0.000 0.540 559 Y N 1.195 121.597 120.300 0.170 0.000 2.165 559 Y HA -0.133 4.417 4.550 -0.001 0.000 0.286 559 Y C 2.184 178.245 175.900 0.268 0.000 1.155 559 Y CA 2.147 60.384 58.100 0.228 0.000 1.164 559 Y CB -0.420 38.172 38.460 0.221 0.000 0.978 559 Y HN 0.768 nan 8.280 nan 0.000 0.513 560 E N 0.148 120.539 120.200 0.318 0.000 2.150 560 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 560 E C 1.985 178.737 176.600 0.253 0.000 0.985 560 E CA 1.130 57.678 56.400 0.248 0.000 0.814 560 E CB -0.576 29.377 29.700 0.421 0.000 0.752 560 E HN 0.515 nan 8.360 nan 0.000 0.466 561 L N 0.048 121.497 121.223 0.376 0.000 2.012 561 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 561 L C 1.977 179.084 176.870 0.394 0.000 1.073 561 L CA 1.516 56.676 54.840 0.535 0.000 0.748 561 L CB -0.419 41.828 42.059 0.314 0.000 0.891 561 L HN 0.024 nan 8.230 nan 0.000 0.431 562 V N -0.244 119.751 119.914 0.136 0.000 2.307 562 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 562 V C 2.678 178.715 176.094 -0.094 0.000 1.045 562 V CA 1.924 64.247 62.300 0.038 0.000 1.024 562 V CB -0.770 31.033 31.823 -0.033 0.000 0.651 562 V HN 0.543 nan 8.190 nan 0.000 0.449 563 E N 0.451 120.506 120.200 -0.241 0.000 2.150 563 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 563 E C 2.176 178.673 176.600 -0.172 0.000 0.985 563 E CA 1.328 57.588 56.400 -0.234 0.000 0.814 563 E CB 0.061 29.529 29.700 -0.387 0.000 0.752 563 E HN 0.574 nan 8.360 nan 0.000 0.466 564 K N -1.299 118.966 120.400 -0.224 0.000 2.166 564 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 564 K C 1.699 177.993 176.600 -0.509 0.000 1.052 564 K CA 0.792 56.789 56.287 -0.484 0.000 0.969 564 K CB 0.179 32.154 32.500 -0.874 0.000 0.761 564 K HN 0.064 nan 8.250 nan 0.000 0.459 565 F N -2.111 117.917 119.950 0.129 0.000 2.667 565 F HA 0.172 4.699 4.527 -0.001 0.000 0.288 565 F C 1.483 177.217 175.800 -0.111 0.000 1.086 565 F CA -0.060 57.991 58.000 0.085 0.000 1.297 565 F CB 0.042 39.178 39.000 0.228 0.000 1.059 565 F HN -0.108 nan 8.300 nan 0.000 0.624 566 Y N -0.721 119.615 120.300 0.061 0.000 2.353 566 Y HA 0.162 4.712 4.550 -0.001 0.000 0.294 566 Y C 0.429 176.311 175.900 -0.031 0.000 1.135 566 Y CA 0.664 58.733 58.100 -0.053 0.000 1.176 566 Y CB 0.516 38.918 38.460 -0.097 0.000 1.124 566 Y HN -0.221 nan 8.280 nan 0.000 0.537 567 D N -1.402 119.009 120.400 0.018 0.000 2.978 567 D HA 0.198 4.838 4.640 -0.000 0.000 0.268 567 D C -2.471 173.593 176.300 -0.392 0.000 1.252 567 D CA -1.661 52.270 54.000 -0.116 0.000 0.771 567 D CB 0.653 41.400 40.800 -0.089 0.000 1.361 567 D HN -0.093 nan 8.370 nan 0.000 0.558 568 P HA -0.084 nan 4.420 nan 0.000 0.216 568 P C 1.470 178.774 177.300 0.007 0.000 1.150 568 P CA 1.110 64.151 63.100 -0.100 0.000 0.837 568 P CB 0.075 31.746 31.700 -0.049 0.000 0.786 569 M N -3.369 116.200 119.600 -0.052 0.000 2.561 569 M HA 0.157 4.636 4.480 -0.000 0.000 0.238 569 M C 0.086 176.435 176.300 0.082 0.000 1.131 569 M CA 0.276 55.578 55.300 0.004 0.000 1.046 569 M CB -0.559 31.988 32.600 -0.089 0.000 1.532 569 M HN -0.209 nan 8.290 nan 0.000 0.497 570 F N 1.059 120.939 119.950 -0.117 0.000 3.069 570 F HA -0.385 4.141 4.527 -0.001 0.000 0.285 570 F C 1.657 177.391 175.800 -0.110 0.000 0.827 570 F CA 1.352 59.292 58.000 -0.099 0.000 1.108 570 F CB -1.701 37.198 39.000 -0.170 0.000 1.252 570 F HN 0.325 nan 8.300 nan 0.000 0.483 571 K N -0.940 119.346 120.400 -0.191 0.000 2.103 571 K HA -0.150 4.169 4.320 -0.000 0.000 0.204 571 K C 1.433 177.791 176.600 -0.403 0.000 1.052 571 K CA 1.914 58.006 56.287 -0.325 0.000 0.945 571 K CB -0.488 31.728 32.500 -0.473 0.000 0.722 571 K HN 0.375 nan 8.250 nan 0.000 0.443 572 Y N 1.400 121.565 120.300 -0.226 0.000 2.220 572 Y HA -0.069 4.481 4.550 -0.001 0.000 0.291 572 Y C 2.281 178.039 175.900 -0.238 0.000 1.129 572 Y CA 1.270 59.096 58.100 -0.457 0.000 1.161 572 Y CB -0.933 37.166 38.460 -0.602 0.000 0.997 572 Y HN 0.170 nan 8.280 nan 0.000 0.522 573 H N -0.826 118.235 119.070 -0.015 0.000 2.319 573 H HA -0.182 4.373 4.556 -0.001 0.000 0.299 573 H C 2.116 177.469 175.328 0.041 0.000 1.092 573 H CA 1.876 57.963 56.048 0.064 0.000 1.302 573 H CB -0.546 29.329 29.762 0.188 0.000 1.373 573 H HN 0.215 nan 8.280 nan 0.000 0.497 574 L N 0.055 121.356 121.223 0.130 0.000 2.046 574 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 574 L C 2.095 178.961 176.870 -0.006 0.000 1.077 574 L CA 1.921 56.780 54.840 0.032 0.000 0.747 574 L CB -0.906 41.137 42.059 -0.027 0.000 0.896 574 L HN 0.213 nan 8.230 nan 0.000 0.432 575 T N -1.093 113.439 114.554 -0.036 0.000 2.746 575 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 575 T C 1.953 176.669 174.700 0.027 0.000 1.039 575 T CA 1.688 63.776 62.100 -0.020 0.000 1.142 575 T CB -0.361 68.480 68.868 -0.045 0.000 0.866 575 T HN 0.217 nan 8.240 nan 0.000 0.444 576 V N 1.622 121.561 119.914 0.043 0.000 2.407 576 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 576 V C 2.832 178.965 176.094 0.066 0.000 1.055 576 V CA 1.540 63.874 62.300 0.057 0.000 1.049 576 V CB -1.161 30.691 31.823 0.047 0.000 0.662 576 V HN 0.520 nan 8.190 nan 0.000 0.455 577 A N -0.653 122.213 122.820 0.075 0.000 1.902 577 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 577 A C 2.188 179.817 177.584 0.075 0.000 1.181 577 A CA 1.857 53.947 52.037 0.088 0.000 0.623 577 A CB -0.440 18.599 19.000 0.066 0.000 0.818 577 A HN 0.615 nan 8.150 nan 0.000 0.443 578 Q N -0.570 119.247 119.800 0.028 0.000 2.124 578 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 578 Q C 2.137 178.187 176.000 0.083 0.000 0.977 578 Q CA 1.592 57.412 55.803 0.030 0.000 0.850 578 Q CB -0.313 28.415 28.738 -0.017 0.000 0.901 578 Q HN 0.515 nan 8.270 nan 0.000 0.429 579 V N 0.740 120.690 119.914 0.060 0.000 2.283 579 V HA -0.239 3.880 4.120 -0.000 0.000 0.243 579 V C 2.168 178.309 176.094 0.079 0.000 1.039 579 V CA 1.781 64.109 62.300 0.048 0.000 1.016 579 V CB -0.454 31.359 31.823 -0.016 0.000 0.650 579 V HN 0.274 nan 8.190 nan 0.000 0.449 580 R N 0.239 120.792 120.500 0.087 0.000 2.073 580 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 580 R C 2.464 178.869 176.300 0.175 0.000 1.134 580 R CA 1.569 57.732 56.100 0.105 0.000 0.952 580 R CB -0.906 29.459 30.300 0.107 0.000 0.850 580 R HN 0.585 nan 8.270 nan 0.000 0.433 581 G N 0.019 108.974 108.800 0.259 0.000 2.402 581 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 581 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 581 G C 1.499 176.598 174.900 0.331 0.000 1.162 581 G CA 0.764 46.113 45.100 0.415 0.000 0.777 581 G HN 0.456 nan 8.290 nan 0.000 0.539 582 G N 0.705 109.687 108.800 0.303 0.000 2.418 582 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 582 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 582 G C 1.886 176.905 174.900 0.200 0.000 1.158 582 G CA 0.945 46.180 45.100 0.223 0.000 0.771 582 G HN 0.413 nan 8.290 nan 0.000 0.545 583 M N -0.045 119.649 119.600 0.157 0.000 2.086 583 M HA -0.054 4.425 4.480 -0.000 0.000 0.261 583 M C 2.695 179.067 176.300 0.120 0.000 1.067 583 M CA 0.940 56.315 55.300 0.125 0.000 1.116 583 M CB -0.320 32.332 32.600 0.086 0.000 1.348 583 M HN 0.106 nan 8.290 nan 0.000 0.407 584 V N -0.057 119.935 119.914 0.129 0.000 2.295 584 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 584 V C 2.107 178.267 176.094 0.109 0.000 1.049 584 V CA 1.966 64.314 62.300 0.080 0.000 1.024 584 V CB -0.752 31.138 31.823 0.112 0.000 0.648 584 V HN 0.371 nan 8.190 nan 0.000 0.447 585 F N 1.136 121.135 119.950 0.082 0.000 2.065 585 F HA -0.267 4.259 4.527 -0.001 0.000 0.298 585 F C 2.491 178.330 175.800 0.065 0.000 1.112 585 F CA 2.417 60.466 58.000 0.081 0.000 1.212 585 F CB -0.049 38.880 39.000 -0.118 0.000 0.975 585 F HN 0.155 nan 8.300 nan 0.000 0.476 586 E N 0.266 120.658 120.200 0.320 0.000 2.152 586 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 586 E C 2.062 178.682 176.600 0.034 0.000 0.983 586 E CA 1.092 57.615 56.400 0.205 0.000 0.818 586 E CB -0.344 29.467 29.700 0.184 0.000 0.758 586 E HN 0.512 nan 8.360 nan 0.000 0.467 587 L N -0.465 120.756 121.223 -0.003 0.000 2.093 587 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 587 L C 2.220 179.010 176.870 -0.134 0.000 1.085 587 L CA 1.187 55.971 54.840 -0.093 0.000 0.755 587 L CB -0.278 41.749 42.059 -0.053 0.000 0.904 587 L HN 0.165 nan 8.230 nan 0.000 0.435 588 A N -1.108 121.621 122.820 -0.151 0.000 2.178 588 A HA 0.015 4.335 4.320 -0.000 0.000 0.211 588 A C 1.666 179.111 177.584 -0.231 0.000 1.157 588 A CA 0.713 52.620 52.037 -0.216 0.000 0.780 588 A CB -0.071 18.750 19.000 -0.299 0.000 0.828 588 A HN 0.420 nan 8.150 nan 0.000 0.476 589 N N -0.841 117.735 118.700 -0.206 0.000 2.145 589 N HA 0.078 4.818 4.740 -0.000 0.000 0.219 589 N C -0.497 174.991 175.510 -0.036 0.000 1.266 589 N CA 0.075 53.025 53.050 -0.167 0.000 0.902 589 N CB 0.701 38.997 38.487 -0.317 0.000 1.078 589 N HN 0.145 nan 8.380 nan 0.000 0.513 590 S N 1.516 117.206 115.700 -0.017 0.000 2.505 590 S HA 0.283 4.753 4.470 -0.000 0.000 0.276 590 S C 1.929 176.522 174.600 -0.011 0.000 1.274 590 S CA -0.436 57.773 58.200 0.015 0.000 1.053 590 S CB 1.032 64.241 63.200 0.015 0.000 0.919 590 S HN 0.116 nan 8.310 nan 0.000 0.490 591 I N 2.416 122.994 120.570 0.014 0.000 2.118 591 I HA -0.135 4.035 4.170 -0.000 0.000 0.241 591 I C 0.638 176.771 176.117 0.026 0.000 1.070 591 I CA 1.115 62.425 61.300 0.017 0.000 1.327 591 I CB -0.288 37.732 38.000 0.033 0.000 1.034 591 I HN 0.325 nan 8.210 nan 0.000 0.405 592 V N 2.327 122.266 119.914 0.042 0.000 2.439 592 V HA 0.120 4.240 4.120 -0.000 0.000 0.282 592 V C 0.251 176.331 176.094 -0.023 0.000 1.039 592 V CA -0.722 61.611 62.300 0.054 0.000 0.913 592 V CB 1.241 33.132 31.823 0.114 0.000 0.983 592 V HN 0.214 nan 8.190 nan 0.000 0.460 593 Q N 6.336 126.083 119.800 -0.088 0.000 2.310 593 Q HA 0.028 4.367 4.340 -0.000 0.000 0.315 593 Q C -1.960 173.893 176.000 -0.245 0.000 1.081 593 Q CA -0.908 54.727 55.803 -0.281 0.000 0.981 593 Q CB 0.474 28.972 28.738 -0.399 0.000 1.184 593 Q HN 0.486 nan 8.270 nan 0.000 0.389 594 P HA 0.186 nan 4.420 nan 0.000 0.212 594 P C -1.000 176.353 177.300 0.089 0.000 1.816 594 P CA -0.019 63.042 63.100 -0.066 0.000 0.944 594 P CB -0.210 31.478 31.700 -0.019 0.000 1.896 595 F N 0.561 120.571 119.950 0.100 0.000 2.495 595 F HA 0.396 4.923 4.527 -0.000 0.000 0.327 595 F C 0.615 176.494 175.800 0.131 0.000 1.103 595 F CA -1.700 56.363 58.000 0.105 0.000 0.949 595 F CB 1.512 40.584 39.000 0.119 0.000 1.142 595 F HN -0.069 nan 8.300 nan 0.000 0.457 596 D N 2.098 122.681 120.400 0.305 0.000 2.460 596 D HA 0.192 4.832 4.640 -0.000 0.000 0.232 596 D C 1.021 177.459 176.300 0.230 0.000 1.079 596 D CA -0.340 53.804 54.000 0.239 0.000 0.864 596 D CB 1.067 41.973 40.800 0.176 0.000 1.048 596 D HN 0.648 nan 8.370 nan 0.000 0.523 597 C N 3.203 122.663 119.300 0.267 0.000 2.419 597 C HA 0.026 4.486 4.460 -0.000 0.000 0.283 597 C C 2.170 177.368 174.990 0.348 0.000 1.373 597 C CA 0.013 59.207 59.018 0.295 0.000 1.781 597 C CB -0.767 27.057 27.740 0.140 0.000 1.886 597 C HN 0.565 nan 8.230 nan 0.000 0.520 598 R N 1.165 121.821 120.500 0.261 0.000 2.148 598 R HA -0.073 4.267 4.340 -0.000 0.000 0.227 598 R C 1.611 178.034 176.300 0.207 0.000 1.103 598 R CA 1.655 57.899 56.100 0.239 0.000 0.983 598 R CB -0.328 30.078 30.300 0.176 0.000 0.874 598 R HN 0.580 nan 8.270 nan 0.000 0.451 599 D N -0.459 120.034 120.400 0.156 0.000 2.224 599 D HA -0.140 4.499 4.640 -0.000 0.000 0.205 599 D C 1.417 177.727 176.300 0.016 0.000 0.965 599 D CA 1.008 55.051 54.000 0.073 0.000 0.852 599 D CB -0.063 40.738 40.800 0.002 0.000 0.947 599 D HN 0.168 nan 8.370 nan 0.000 0.494 600 Y N 1.638 121.947 120.300 0.014 0.000 2.242 600 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 600 Y C 2.379 178.189 175.900 -0.149 0.000 1.137 600 Y CA 0.835 58.889 58.100 -0.077 0.000 1.181 600 Y CB -0.510 37.978 38.460 0.047 0.000 0.989 600 Y HN -0.074 nan 8.280 nan 0.000 0.527 601 A N -0.857 122.110 122.820 0.246 0.000 1.908 601 A HA -0.187 4.132 4.320 -0.000 0.000 0.218 601 A C 2.436 180.070 177.584 0.083 0.000 1.181 601 A CA 2.093 54.229 52.037 0.166 0.000 0.627 601 A CB -1.278 17.957 19.000 0.392 0.000 0.818 601 A HN 0.245 nan 8.150 nan 0.000 0.445 602 V N -0.511 119.462 119.914 0.098 0.000 2.287 602 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 602 V C 2.569 178.660 176.094 -0.006 0.000 1.053 602 V CA 2.082 64.435 62.300 0.089 0.000 1.027 602 V CB -0.781 31.115 31.823 0.122 0.000 0.646 602 V HN 0.379 nan 8.190 nan 0.000 0.447 603 V N -0.400 119.445 119.914 -0.116 0.000 2.358 603 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 603 V C 2.295 178.002 176.094 -0.646 0.000 1.047 603 V CA 1.820 63.866 62.300 -0.424 0.000 1.035 603 V CB -0.478 31.079 31.823 -0.443 0.000 0.658 603 V HN 0.443 nan 8.190 nan 0.000 0.452 604 L N -0.271 120.755 121.223 -0.328 0.000 2.079 604 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 604 L C 2.731 179.601 176.870 -0.001 0.000 1.081 604 L CA 1.663 56.397 54.840 -0.177 0.000 0.752 604 L CB -0.541 41.417 42.059 -0.169 0.000 0.896 604 L HN 0.285 nan 8.230 nan 0.000 0.433 605 R N 0.940 121.447 120.500 0.011 0.000 2.075 605 R HA -0.177 4.162 4.340 -0.000 0.000 0.232 605 R C 2.199 178.578 176.300 0.132 0.000 1.126 605 R CA 1.669 57.841 56.100 0.120 0.000 0.963 605 R CB -0.376 30.010 30.300 0.144 0.000 0.858 605 R HN 0.194 nan 8.270 nan 0.000 0.435 606 K N -0.928 119.486 120.400 0.025 0.000 2.044 606 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 606 K C 1.632 178.356 176.600 0.207 0.000 1.049 606 K CA 1.763 58.083 56.287 0.055 0.000 0.927 606 K CB -0.287 32.178 32.500 -0.059 0.000 0.713 606 K HN 0.201 nan 8.250 nan 0.000 0.443 607 Y N 0.195 120.579 120.300 0.140 0.000 2.263 607 Y HA 0.006 4.555 4.550 -0.000 0.000 0.292 607 Y C 2.403 178.514 175.900 0.351 0.000 1.130 607 Y CA 0.447 58.657 58.100 0.183 0.000 1.179 607 Y CB -1.017 37.423 38.460 -0.033 0.000 0.998 607 Y HN 0.192 nan 8.280 nan 0.000 0.532 608 A N 0.227 123.323 122.820 0.460 0.000 1.902 608 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 608 A C 1.986 179.659 177.584 0.149 0.000 1.181 608 A CA 1.917 53.999 52.037 0.076 0.000 0.623 608 A CB -0.701 18.079 19.000 -0.367 0.000 0.818 608 A HN 0.298 nan 8.150 nan 0.000 0.443 609 D N -0.450 120.144 120.400 0.322 0.000 2.149 609 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 609 D C 1.885 178.371 176.300 0.311 0.000 0.990 609 D CA 1.565 55.799 54.000 0.389 0.000 0.839 609 D CB -0.199 40.769 40.800 0.279 0.000 0.948 609 D HN 0.628 nan 8.370 nan 0.000 0.460 610 K N 0.195 120.759 120.400 0.274 0.000 2.025 610 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 610 K C 2.119 178.840 176.600 0.201 0.000 1.049 610 K CA 0.627 57.055 56.287 0.235 0.000 0.933 610 K CB -0.154 32.503 32.500 0.262 0.000 0.714 610 K HN -0.003 nan 8.250 nan 0.000 0.438 611 I N 0.967 121.668 120.570 0.219 0.000 2.439 611 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 611 I C 1.998 178.049 176.117 -0.110 0.000 1.139 611 I CA 0.937 62.333 61.300 0.161 0.000 1.438 611 I CB -0.343 37.816 38.000 0.265 0.000 1.085 611 I HN 0.266 nan 8.210 nan 0.000 0.427 612 Y N 0.994 121.057 120.300 -0.396 0.000 2.181 612 Y HA -0.304 4.246 4.550 -0.000 0.000 0.288 612 Y C 2.749 178.499 175.900 -0.249 0.000 1.146 612 Y CA 2.044 59.725 58.100 -0.698 0.000 1.164 612 Y CB -0.820 37.458 38.460 -0.304 0.000 0.982 612 Y HN 0.349 nan 8.280 nan 0.000 0.515 613 S N -0.009 115.606 115.700 -0.142 0.000 2.382 613 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 613 S C 1.981 176.499 174.600 -0.138 0.000 1.027 613 S CA 1.610 59.716 58.200 -0.156 0.000 0.991 613 S CB -1.100 62.128 63.200 0.047 0.000 0.823 613 S HN 0.574 nan 8.310 nan 0.000 0.469 614 I N 1.512 122.055 120.570 -0.045 0.000 2.202 614 I HA -0.131 4.038 4.170 -0.000 0.000 0.242 614 I C 3.016 179.166 176.117 0.056 0.000 1.091 614 I CA 1.369 62.682 61.300 0.022 0.000 1.368 614 I CB -0.538 37.511 38.000 0.083 0.000 1.058 614 I HN 0.407 nan 8.210 nan 0.000 0.410 615 S N 0.474 116.198 115.700 0.040 0.000 2.382 615 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 615 S C 1.961 176.661 174.600 0.167 0.000 1.027 615 S CA 1.169 59.527 58.200 0.264 0.000 0.991 615 S CB -0.053 63.354 63.200 0.346 0.000 0.823 615 S HN 0.241 nan 8.310 nan 0.000 0.469 616 M N 1.089 120.576 119.600 -0.188 0.000 2.686 616 M HA 0.117 4.596 4.480 -0.000 0.000 0.246 616 M C 1.205 177.416 176.300 -0.148 0.000 1.096 616 M CA 0.667 55.826 55.300 -0.236 0.000 1.076 616 M CB -0.600 31.686 32.600 -0.524 0.000 1.504 616 M HN 0.177 nan 8.290 nan 0.000 0.524 617 K N -0.205 120.099 120.400 -0.160 0.000 2.439 617 K HA -0.056 4.264 4.320 -0.000 0.000 0.197 617 K C 0.022 176.354 176.600 -0.447 0.000 1.041 617 K CA 0.796 56.895 56.287 -0.312 0.000 0.970 617 K CB -0.343 31.911 32.500 -0.410 0.000 0.773 617 K HN 0.502 nan 8.250 nan 0.000 0.479 618 H N -0.083 119.020 119.070 0.056 0.000 2.355 618 H HA 0.135 4.690 4.556 -0.000 0.000 0.232 618 H C -1.784 173.504 175.328 -0.068 0.000 1.422 618 H CA -1.546 54.538 56.048 0.059 0.000 1.261 618 H CB 0.784 30.708 29.762 0.270 0.000 1.595 618 H HN -0.031 nan 8.280 nan 0.000 0.529 619 P HA -0.212 nan 4.420 nan 0.000 0.217 619 P C 1.650 178.901 177.300 -0.082 0.000 1.150 619 P CA 1.059 64.133 63.100 -0.043 0.000 0.832 619 P CB 0.707 32.385 31.700 -0.037 0.000 0.787 620 Q N 0.882 120.637 119.800 -0.074 0.000 2.084 620 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 620 Q C 2.031 177.907 176.000 -0.207 0.000 0.978 620 Q CA 1.843 57.580 55.803 -0.110 0.000 0.844 620 Q CB -0.752 27.942 28.738 -0.072 0.000 0.898 620 Q HN 0.130 nan 8.270 nan 0.000 0.426 621 E N -0.524 119.521 120.200 -0.257 0.000 2.106 621 E HA -0.110 4.239 4.350 -0.000 0.000 0.192 621 E C 1.889 178.109 176.600 -0.633 0.000 0.984 621 E CA 1.430 57.521 56.400 -0.516 0.000 0.806 621 E CB -0.174 29.035 29.700 -0.819 0.000 0.750 621 E HN 0.442 nan 8.360 nan 0.000 0.458 622 M N 0.242 119.532 119.600 -0.516 0.000 2.159 622 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 622 M C 1.897 178.093 176.300 -0.174 0.000 1.063 622 M CA 1.398 56.519 55.300 -0.298 0.000 1.110 622 M CB -0.214 32.331 32.600 -0.092 0.000 1.374 622 M HN -0.012 nan 8.290 nan 0.000 0.411 623 K N -0.322 119.970 120.400 -0.179 0.000 2.001 623 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 623 K C 2.025 178.495 176.600 -0.216 0.000 1.048 623 K CA 1.773 57.972 56.287 -0.147 0.000 0.932 623 K CB -0.430 31.995 32.500 -0.125 0.000 0.715 623 K HN 0.262 nan 8.250 nan 0.000 0.437 624 T N 0.374 114.711 114.554 -0.362 0.000 2.746 624 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 624 T C 1.156 175.477 174.700 -0.633 0.000 1.039 624 T CA 1.419 63.178 62.100 -0.569 0.000 1.142 624 T CB -0.203 68.137 68.868 -0.881 0.000 0.866 624 T HN 0.207 nan 8.240 nan 0.000 0.444 625 Y N 0.616 120.815 120.300 -0.167 0.000 2.485 625 Y HA 0.478 5.028 4.550 -0.000 0.000 0.260 625 Y C 1.322 177.186 175.900 -0.060 0.000 1.173 625 Y CA -0.753 57.288 58.100 -0.098 0.000 1.252 625 Y CB -0.173 38.238 38.460 -0.082 0.000 1.123 625 Y HN 0.062 nan 8.280 nan 0.000 0.524 626 S N 0.564 116.262 115.700 -0.003 0.000 3.628 626 S HA -0.148 4.321 4.470 -0.000 0.000 0.373 626 S C -0.351 174.282 174.600 0.053 0.000 0.968 626 S CA 0.112 58.322 58.200 0.017 0.000 1.215 626 S CB -1.485 61.724 63.200 0.016 0.000 0.912 626 S HN 0.146 nan 8.310 nan 0.000 0.495 627 V N 2.748 122.700 119.914 0.064 0.000 2.372 627 V HA 0.525 4.645 4.120 -0.000 0.000 0.261 627 V C 0.561 176.734 176.094 0.132 0.000 1.055 627 V CA 0.129 62.491 62.300 0.103 0.000 0.930 627 V CB 1.217 33.142 31.823 0.169 0.000 1.031 627 V HN 0.589 nan 8.190 nan 0.000 0.479 628 S N 3.738 119.480 115.700 0.069 0.000 2.472 628 S HA 0.607 5.077 4.470 -0.000 0.000 0.303 628 S C 0.140 174.767 174.600 0.044 0.000 1.099 628 S CA -0.535 57.751 58.200 0.143 0.000 1.077 628 S CB 0.783 64.046 63.200 0.105 0.000 1.031 628 S HN 0.512 nan 8.310 nan 0.000 0.487 629 F N 1.887 121.986 119.950 0.248 0.000 2.732 629 F HA 0.182 4.709 4.527 -0.001 0.000 0.303 629 F C 1.525 177.490 175.800 0.276 0.000 1.110 629 F CA -0.261 57.891 58.000 0.254 0.000 1.355 629 F CB 0.271 39.513 39.000 0.403 0.000 1.081 629 F HN 0.504 nan 8.300 nan 0.000 0.565 630 D N 0.093 120.691 120.400 0.330 0.000 2.123 630 D HA -0.197 4.442 4.640 -0.000 0.000 0.196 630 D C 2.420 178.852 176.300 0.219 0.000 0.992 630 D CA 1.919 56.081 54.000 0.270 0.000 0.833 630 D CB -0.430 40.466 40.800 0.160 0.000 0.954 630 D HN 0.277 nan 8.370 nan 0.000 0.455 631 S N 0.195 115.980 115.700 0.142 0.000 2.383 631 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 631 S C 1.989 176.646 174.600 0.094 0.000 1.026 631 S CA 0.547 58.814 58.200 0.112 0.000 0.981 631 S CB -0.537 62.720 63.200 0.096 0.000 0.818 631 S HN 0.200 nan 8.310 nan 0.000 0.472 632 L N 0.554 121.802 121.223 0.042 0.000 2.027 632 L HA 0.215 4.554 4.340 -0.000 0.000 0.206 632 L C 2.074 178.891 176.870 -0.088 0.000 1.074 632 L CA 1.567 56.356 54.840 -0.085 0.000 0.745 632 L CB -1.014 40.904 42.059 -0.235 0.000 0.898 632 L HN 0.244 nan 8.230 nan 0.000 0.433 633 F N -0.758 119.252 119.950 0.100 0.000 2.171 633 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 633 F C 2.943 178.791 175.800 0.081 0.000 1.090 633 F CA 1.592 59.640 58.000 0.080 0.000 1.293 633 F CB -1.113 37.916 39.000 0.048 0.000 1.013 633 F HN 0.185 nan 8.300 nan 0.000 0.486 634 S N -0.075 115.771 115.700 0.243 0.000 2.356 634 S HA -0.208 4.261 4.470 -0.000 0.000 0.223 634 S C 2.350 177.038 174.600 0.148 0.000 1.032 634 S CA 1.256 59.558 58.200 0.170 0.000 1.005 634 S CB -0.574 62.708 63.200 0.137 0.000 0.867 634 S HN 0.304 nan 8.310 nan 0.000 0.449 635 A N 0.587 123.485 122.820 0.129 0.000 1.933 635 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 635 A C 2.338 180.023 177.584 0.168 0.000 1.175 635 A CA 1.750 53.863 52.037 0.127 0.000 0.628 635 A CB -0.931 18.126 19.000 0.095 0.000 0.814 635 A HN 0.463 nan 8.150 nan 0.000 0.444 636 V N 0.190 120.193 119.914 0.149 0.000 2.358 636 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 636 V C 2.520 178.743 176.094 0.215 0.000 1.047 636 V CA 2.269 64.668 62.300 0.165 0.000 1.035 636 V CB -0.598 31.296 31.823 0.118 0.000 0.658 636 V HN 0.715 nan 8.190 nan 0.000 0.452 637 K N 0.363 120.883 120.400 0.201 0.000 2.063 637 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 637 K C 1.991 178.693 176.600 0.169 0.000 1.048 637 K CA 1.997 58.391 56.287 0.178 0.000 0.928 637 K CB -0.179 32.413 32.500 0.153 0.000 0.713 637 K HN 0.424 nan 8.250 nan 0.000 0.442 638 N N 0.370 119.167 118.700 0.161 0.000 2.120 638 N HA -0.169 4.570 4.740 -0.000 0.000 0.188 638 N C 1.554 177.155 175.510 0.151 0.000 1.024 638 N CA 1.165 54.294 53.050 0.130 0.000 0.852 638 N CB -0.467 38.082 38.487 0.104 0.000 1.003 638 N HN 0.222 nan 8.380 nan 0.000 0.424 639 F N 1.748 121.730 119.950 0.053 0.000 2.134 639 F HA -0.198 4.328 4.527 -0.000 0.000 0.299 639 F C 2.152 177.993 175.800 0.068 0.000 1.097 639 F CA 1.264 59.292 58.000 0.046 0.000 1.264 639 F CB -0.283 38.755 39.000 0.064 0.000 1.001 639 F HN -0.027 nan 8.300 nan 0.000 0.479 640 T N -0.028 114.754 114.554 0.380 0.000 2.708 640 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 640 T C 1.667 176.463 174.700 0.160 0.000 1.037 640 T CA 1.826 64.093 62.100 0.279 0.000 1.146 640 T CB -0.348 68.654 68.868 0.223 0.000 0.865 640 T HN 0.390 nan 8.240 nan 0.000 0.435 641 E N 0.528 120.800 120.200 0.121 0.000 2.051 641 E HA -0.048 4.301 4.350 -0.000 0.000 0.192 641 E C 2.210 178.839 176.600 0.048 0.000 0.991 641 E CA 0.959 57.406 56.400 0.079 0.000 0.799 641 E CB -0.255 29.488 29.700 0.071 0.000 0.748 641 E HN 0.465 nan 8.360 nan 0.000 0.449 642 I N 1.064 121.635 120.570 0.002 0.000 2.252 642 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 642 I C 2.542 178.635 176.117 -0.040 0.000 1.102 642 I CA 0.835 62.108 61.300 -0.045 0.000 1.385 642 I CB -0.286 37.638 38.000 -0.127 0.000 1.064 642 I HN 0.080 nan 8.210 nan 0.000 0.414 643 A N -0.165 122.592 122.820 -0.106 0.000 1.902 643 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 643 A C 2.493 180.155 177.584 0.130 0.000 1.181 643 A CA 2.209 54.229 52.037 -0.029 0.000 0.623 643 A CB -0.814 18.183 19.000 -0.005 0.000 0.818 643 A HN 0.395 nan 8.150 nan 0.000 0.443 644 S N -0.660 115.107 115.700 0.111 0.000 2.368 644 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 644 S C 2.100 176.761 174.600 0.101 0.000 1.030 644 S CA 1.674 59.941 58.200 0.111 0.000 0.999 644 S CB -0.258 62.998 63.200 0.093 0.000 0.844 644 S HN 0.478 nan 8.310 nan 0.000 0.459 645 K N 0.417 120.872 120.400 0.091 0.000 2.057 645 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 645 K C 1.791 178.444 176.600 0.089 0.000 1.050 645 K CA 1.043 57.375 56.287 0.075 0.000 0.935 645 K CB -0.934 31.601 32.500 0.059 0.000 0.715 645 K HN 0.559 nan 8.250 nan 0.000 0.439 646 F N 1.895 121.837 119.950 -0.014 0.000 2.134 646 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 646 F C 2.610 178.424 175.800 0.024 0.000 1.097 646 F CA 1.561 59.554 58.000 -0.013 0.000 1.264 646 F CB -0.359 38.614 39.000 -0.045 0.000 1.001 646 F HN -0.031 nan 8.300 nan 0.000 0.479 647 S N -0.157 115.640 115.700 0.161 0.000 2.382 647 S HA -0.212 4.257 4.470 -0.000 0.000 0.228 647 S C 1.955 176.549 174.600 -0.010 0.000 1.027 647 S CA 1.652 59.901 58.200 0.082 0.000 0.991 647 S CB -0.439 62.853 63.200 0.154 0.000 0.823 647 S HN 0.598 nan 8.310 nan 0.000 0.469 648 E N 0.475 120.677 120.200 0.002 0.000 2.051 648 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 648 E C 2.475 179.056 176.600 -0.031 0.000 0.991 648 E CA 1.035 57.434 56.400 -0.003 0.000 0.799 648 E CB -0.159 29.548 29.700 0.011 0.000 0.748 648 E HN 0.464 nan 8.360 nan 0.000 0.449 649 R N 0.302 120.748 120.500 -0.089 0.000 2.120 649 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 649 R C 2.426 178.701 176.300 -0.041 0.000 1.123 649 R CA 0.757 56.801 56.100 -0.094 0.000 0.975 649 R CB -0.307 29.886 30.300 -0.178 0.000 0.866 649 R HN 0.130 nan 8.270 nan 0.000 0.446 650 L N 1.091 122.209 121.223 -0.175 0.000 2.156 650 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 650 L C 1.906 178.893 176.870 0.195 0.000 1.095 650 L CA 1.669 56.496 54.840 -0.022 0.000 0.770 650 L CB -0.050 41.859 42.059 -0.249 0.000 0.914 650 L HN 0.098 nan 8.230 nan 0.000 0.439 651 Q N -1.487 118.346 119.800 0.056 0.000 2.398 651 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 651 Q C 0.687 176.664 176.000 -0.039 0.000 0.932 651 Q CA 1.180 56.990 55.803 0.012 0.000 0.916 651 Q CB 0.318 29.061 28.738 0.009 0.000 1.024 651 Q HN 0.637 nan 8.270 nan 0.000 0.504 652 D N -0.712 119.688 120.400 0.000 0.000 2.520 652 D HA 0.025 4.664 4.640 -0.000 0.000 0.223 652 D C 0.215 176.520 176.300 0.008 0.000 1.186 652 D CA -0.447 53.539 54.000 -0.023 0.000 0.821 652 D CB 0.307 41.106 40.800 -0.001 0.000 1.072 652 D HN 0.075 nan 8.370 nan 0.000 0.518 657 N N 2.879 121.625 118.700 0.076 0.000 2.558 657 N HA 0.425 5.165 4.740 -0.000 0.000 0.233 657 N C -2.013 173.537 175.510 0.067 0.000 1.038 657 N CA -1.824 51.267 53.050 0.069 0.000 0.934 657 N CB 1.516 40.059 38.487 0.092 0.000 1.175 657 N HN 0.073 nan 8.380 nan 0.000 0.512 658 P HA -0.141 nan 4.420 nan 0.000 0.216 658 P C 1.538 178.852 177.300 0.023 0.000 1.153 658 P CA 0.907 64.025 63.100 0.030 0.000 0.858 658 P CB 0.523 32.233 31.700 0.016 0.000 0.789 659 I N -1.455 119.126 120.570 0.019 0.000 2.406 659 I HA -0.118 4.052 4.170 -0.000 0.000 0.249 659 I C 2.206 178.321 176.117 -0.004 0.000 1.122 659 I CA 1.157 62.462 61.300 0.007 0.000 1.431 659 I CB -0.954 37.050 38.000 0.006 0.000 1.087 659 I HN -0.149 nan 8.210 nan 0.000 0.424 660 V N 1.117 121.035 119.914 0.007 0.000 2.287 660 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 660 V C 2.558 178.593 176.094 -0.098 0.000 1.053 660 V CA 1.589 63.871 62.300 -0.030 0.000 1.027 660 V CB -0.700 31.142 31.823 0.032 0.000 0.646 660 V HN 0.325 nan 8.190 nan 0.000 0.447 661 L N 0.395 121.623 121.223 0.008 0.000 2.079 661 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 661 L C 2.498 179.345 176.870 -0.038 0.000 1.081 661 L CA 1.996 56.843 54.840 0.013 0.000 0.752 661 L CB -0.769 41.363 42.059 0.122 0.000 0.896 661 L HN 0.206 nan 8.230 nan 0.000 0.433 662 R N -0.452 120.036 120.500 -0.020 0.000 2.127 662 R HA -0.132 4.207 4.340 -0.000 0.000 0.238 662 R C 2.044 178.333 176.300 -0.018 0.000 1.134 662 R CA 2.033 58.122 56.100 -0.018 0.000 0.975 662 R CB -0.498 29.797 30.300 -0.008 0.000 0.865 662 R HN 0.485 nan 8.270 nan 0.000 0.447 663 M N -1.116 118.461 119.600 -0.039 0.000 2.123 663 M HA -0.074 4.405 4.480 -0.000 0.000 0.263 663 M C 2.245 178.541 176.300 -0.005 0.000 1.069 663 M CA 1.675 56.964 55.300 -0.019 0.000 1.133 663 M CB -0.237 32.341 32.600 -0.036 0.000 1.356 663 M HN 0.100 nan 8.290 nan 0.000 0.415 664 M N -0.131 119.410 119.600 -0.098 0.000 2.200 664 M HA -0.138 4.341 4.480 -0.000 0.000 0.265 664 M C 1.648 178.009 176.300 0.102 0.000 1.066 664 M CA 1.143 56.425 55.300 -0.031 0.000 1.127 664 M CB -0.638 31.755 32.600 -0.345 0.000 1.379 664 M HN 0.261 nan 8.290 nan 0.000 0.420 665 N N 0.858 119.571 118.700 0.021 0.000 2.166 665 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 665 N C 1.168 176.694 175.510 0.026 0.000 1.019 665 N CA 1.316 54.383 53.050 0.028 0.000 0.856 665 N CB -0.406 38.069 38.487 -0.020 0.000 0.993 665 N HN 0.285 nan 8.380 nan 0.000 0.426 666 D N 0.872 121.292 120.400 0.033 0.000 2.144 666 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 666 D C 1.910 178.307 176.300 0.162 0.000 0.978 666 D CA 0.752 54.787 54.000 0.059 0.000 0.833 666 D CB -0.192 40.718 40.800 0.184 0.000 0.961 666 D HN 0.386 nan 8.370 nan 0.000 0.470 667 Q N -0.086 119.806 119.800 0.153 0.000 2.124 667 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 667 Q C 2.411 178.423 176.000 0.021 0.000 0.977 667 Q CA 0.694 56.547 55.803 0.083 0.000 0.850 667 Q CB -0.034 28.750 28.738 0.077 0.000 0.901 667 Q HN 0.327 nan 8.270 nan 0.000 0.429 668 L N -0.057 121.238 121.223 0.120 0.000 2.056 668 L HA -0.158 4.181 4.340 -0.000 0.000 0.207 668 L C 2.542 179.579 176.870 0.279 0.000 1.078 668 L CA 0.908 55.876 54.840 0.213 0.000 0.749 668 L CB -0.293 41.957 42.059 0.319 0.000 0.901 668 L HN 0.356 nan 8.230 nan 0.000 0.433 669 M N -0.860 118.825 119.600 0.141 0.000 2.175 669 M HA -0.182 4.298 4.480 -0.000 0.000 0.264 669 M C 1.526 177.790 176.300 -0.061 0.000 1.063 669 M CA 1.856 57.181 55.300 0.042 0.000 1.119 669 M CB 0.066 32.503 32.600 -0.272 0.000 1.377 669 M HN 0.063 nan 8.290 nan 0.000 0.415 670 F N -0.092 119.892 119.950 0.056 0.000 2.797 670 F HA 0.055 4.581 4.527 -0.001 0.000 0.302 670 F C 1.538 177.288 175.800 -0.083 0.000 1.130 670 F CA 0.056 58.048 58.000 -0.014 0.000 1.387 670 F CB -0.487 38.485 39.000 -0.047 0.000 1.107 670 F HN 0.175 nan 8.300 nan 0.000 0.577 671 L N 0.413 121.677 121.223 0.069 0.000 2.044 671 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 671 L C 2.337 179.164 176.870 -0.071 0.000 1.075 671 L CA 1.879 56.675 54.840 -0.075 0.000 0.747 671 L CB -0.737 41.292 42.059 -0.050 0.000 0.903 671 L HN 0.034 nan 8.230 nan 0.000 0.435 672 E N -0.319 119.948 120.200 0.111 0.000 2.118 672 E HA -0.271 4.078 4.350 -0.000 0.000 0.195 672 E C 2.333 179.008 176.600 0.125 0.000 0.992 672 E CA 1.087 57.653 56.400 0.276 0.000 0.804 672 E CB -0.131 29.755 29.700 0.309 0.000 0.741 672 E HN 0.285 nan 8.360 nan 0.000 0.458 673 R N -0.324 120.230 120.500 0.089 0.000 2.120 673 R HA 0.017 4.357 4.340 -0.000 0.000 0.234 673 R C 1.946 178.188 176.300 -0.095 0.000 1.123 673 R CA 1.293 57.437 56.100 0.073 0.000 0.975 673 R CB -0.498 29.955 30.300 0.255 0.000 0.866 673 R HN 0.229 nan 8.270 nan 0.000 0.446 674 A N -0.940 121.733 122.820 -0.246 0.000 2.121 674 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 674 A C 1.277 178.537 177.584 -0.540 0.000 1.154 674 A CA 0.770 52.557 52.037 -0.416 0.000 0.679 674 A CB -0.479 18.188 19.000 -0.555 0.000 0.795 674 A HN 0.321 nan 8.150 nan 0.000 0.458 675 F N 0.017 119.766 119.950 -0.335 0.000 2.811 675 F HA 0.211 4.737 4.527 -0.000 0.000 0.301 675 F C 0.592 176.096 175.800 -0.492 0.000 1.151 675 F CA -0.475 57.223 58.000 -0.504 0.000 1.412 675 F CB -0.049 38.441 39.000 -0.851 0.000 1.113 675 F HN 0.026 nan 8.300 nan 0.000 0.579 676 I N 1.021 121.464 120.570 -0.212 0.000 2.441 676 I HA 0.046 4.216 4.170 -0.000 0.000 0.287 676 I C 0.020 176.093 176.117 -0.073 0.000 1.049 676 I CA -0.172 61.054 61.300 -0.124 0.000 1.381 676 I CB 0.453 38.413 38.000 -0.067 0.000 1.409 676 I HN -0.060 nan 8.210 nan 0.000 0.523 677 D N 9.095 129.475 120.400 -0.032 0.000 2.303 677 D HA 0.301 4.941 4.640 -0.000 0.000 0.236 677 D C -1.780 174.511 176.300 -0.014 0.000 1.068 677 D CA -2.047 51.948 54.000 -0.008 0.000 0.830 677 D CB 2.423 43.229 40.800 0.010 0.000 1.109 677 D HN 0.189 nan 8.370 nan 0.000 0.496 678 P HA -0.045 nan 4.420 nan 0.000 0.225 678 P C 1.429 178.703 177.300 -0.044 0.000 1.148 678 P CA 0.540 63.624 63.100 -0.028 0.000 0.779 678 P CB 0.453 32.138 31.700 -0.025 0.000 0.780 679 L N -1.776 119.422 121.223 -0.041 0.000 2.554 679 L HA 0.204 4.544 4.340 -0.000 0.000 0.226 679 L C 1.338 178.165 176.870 -0.072 0.000 1.137 679 L CA 0.388 55.193 54.840 -0.058 0.000 0.863 679 L CB -1.131 40.899 42.059 -0.047 0.000 0.985 679 L HN 0.093 nan 8.230 nan 0.000 0.451 680 G N 0.620 109.388 108.800 -0.052 0.000 2.796 680 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 680 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 680 G C -0.546 174.346 174.900 -0.014 0.000 1.381 680 G CA -0.695 44.379 45.100 -0.044 0.000 0.867 680 G HN 0.048 nan 8.290 nan 0.000 0.552 681 L N 1.065 122.298 121.223 0.016 0.000 2.421 681 L HA 0.429 4.769 4.340 -0.000 0.000 0.263 681 L C -1.695 175.175 176.870 0.000 0.000 1.122 681 L CA -1.907 52.953 54.840 0.034 0.000 0.804 681 L CB 1.237 43.350 42.059 0.090 0.000 1.150 681 L HN 0.346 nan 8.230 nan 0.000 0.457 682 P HA -0.051 nan 4.420 nan 0.000 0.256 682 P C -0.561 176.724 177.300 -0.026 0.000 1.173 682 P CA 0.480 63.572 63.100 -0.013 0.000 0.768 682 P CB 0.137 31.838 31.700 0.001 0.000 0.758 683 D N 1.524 121.891 120.400 -0.054 0.000 3.077 683 D HA -0.215 4.425 4.640 -0.000 0.000 0.217 683 D C -0.063 176.179 176.300 -0.097 0.000 1.162 683 D CA 1.099 55.057 54.000 -0.071 0.000 0.943 683 D CB -0.807 39.963 40.800 -0.049 0.000 1.122 683 D HN 0.586 nan 8.370 nan 0.000 0.413 684 R N -0.123 120.314 120.500 -0.105 0.000 2.644 684 R HA 0.181 4.521 4.340 -0.000 0.000 0.271 684 R C -1.944 174.222 176.300 -0.222 0.000 1.687 684 R CA -1.165 54.841 56.100 -0.158 0.000 1.655 684 R CB 1.403 31.683 30.300 -0.033 0.000 1.285 684 R HN -0.035 nan 8.270 nan 0.000 0.643 685 P HA -0.084 nan 4.420 nan 0.000 0.226 685 P C 0.464 177.422 177.300 -0.570 0.000 1.153 685 P CA 0.978 63.778 63.100 -0.499 0.000 0.777 685 P CB 0.176 31.428 31.700 -0.746 0.000 0.794 686 F N -2.484 117.342 119.950 -0.207 0.000 2.727 686 F HA 0.172 4.699 4.527 -0.000 0.000 0.302 686 F C 0.623 176.369 175.800 -0.090 0.000 1.097 686 F CA -0.351 57.527 58.000 -0.202 0.000 1.330 686 F CB -0.569 38.257 39.000 -0.291 0.000 1.084 686 F HN -0.187 nan 8.300 nan 0.000 0.578 687 Y N 0.647 120.974 120.300 0.046 0.000 2.504 687 Y HA 0.411 4.961 4.550 -0.000 0.000 0.339 687 Y C 1.166 177.077 175.900 0.018 0.000 0.974 687 Y CA -1.358 56.763 58.100 0.036 0.000 1.232 687 Y CB 0.398 38.871 38.460 0.021 0.000 1.108 687 Y HN -0.004 nan 8.280 nan 0.000 0.509 688 R N -0.207 120.409 120.500 0.193 0.000 2.335 688 R HA 0.051 4.391 4.340 -0.000 0.000 0.210 688 R C 0.202 176.552 176.300 0.083 0.000 0.892 688 R CA -0.097 56.060 56.100 0.096 0.000 1.048 688 R CB 0.466 30.802 30.300 0.060 0.000 1.067 688 R HN 0.431 nan 8.270 nan 0.000 0.524 689 H N 0.793 119.864 119.070 0.001 0.000 2.646 689 H HA 0.075 4.631 4.556 -0.000 0.000 0.325 689 H C 0.951 176.259 175.328 -0.034 0.000 1.075 689 H CA 0.112 56.131 56.048 -0.049 0.000 1.421 689 H CB 1.459 31.113 29.762 -0.181 0.000 1.461 689 H HN -0.185 nan 8.280 nan 0.000 0.525 690 V N 6.194 126.142 119.914 0.057 0.000 2.951 690 V HA -0.150 3.970 4.120 -0.000 0.000 0.255 690 V C 2.085 178.200 176.094 0.035 0.000 1.088 690 V CA 0.692 63.043 62.300 0.086 0.000 1.109 690 V CB -0.199 31.677 31.823 0.089 0.000 0.724 690 V HN 0.666 nan 8.190 nan 0.000 0.471 691 I N -1.378 119.183 120.570 -0.016 0.000 2.585 691 I HA 0.073 4.243 4.170 -0.000 0.000 0.254 691 I C 0.429 176.157 176.117 -0.648 0.000 1.129 691 I CA 0.997 61.957 61.300 -0.566 0.000 1.455 691 I CB -0.558 36.916 38.000 -0.877 0.000 1.111 691 I HN 0.225 nan 8.210 nan 0.000 0.433 692 Y N 0.523 120.706 120.300 -0.195 0.000 2.361 692 Y HA 0.718 5.268 4.550 -0.000 0.000 0.337 692 Y C 0.083 175.844 175.900 -0.232 0.000 0.965 692 Y CA -1.248 56.673 58.100 -0.299 0.000 1.091 692 Y CB 1.675 39.925 38.460 -0.351 0.000 1.182 692 Y HN 0.001 nan 8.280 nan 0.000 0.450 693 A N 4.027 126.813 122.820 -0.056 0.000 2.527 693 A HA 0.885 5.205 4.320 -0.000 0.000 0.293 693 A C -3.132 174.297 177.584 -0.259 0.000 1.117 693 A CA -2.280 49.625 52.037 -0.220 0.000 0.723 693 A CB 1.627 20.505 19.000 -0.203 0.000 1.313 693 A HN 0.430 nan 8.150 nan 0.000 0.411 694 P HA 0.138 nan 4.420 nan 0.000 0.268 694 P C 0.040 177.214 177.300 -0.209 0.000 1.205 694 P CA 0.189 63.111 63.100 -0.296 0.000 0.771 694 P CB 0.726 32.195 31.700 -0.385 0.000 0.858 695 S N 1.973 117.587 115.700 -0.142 0.000 2.546 695 S HA -0.004 4.466 4.470 -0.000 0.000 0.290 695 S C 1.514 176.042 174.600 -0.119 0.000 1.290 695 S CA 0.259 58.383 58.200 -0.127 0.000 1.069 695 S CB -0.222 62.926 63.200 -0.087 0.000 0.846 695 S HN 0.503 nan 8.310 nan 0.000 0.495 696 S N 3.881 119.480 115.700 -0.168 0.000 2.469 696 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 696 S C 1.107 175.408 174.600 -0.498 0.000 0.998 696 S CA 0.814 58.837 58.200 -0.294 0.000 0.957 696 S CB -0.479 62.511 63.200 -0.351 0.000 0.764 696 S HN 0.907 nan 8.310 nan 0.000 0.514 697 H N 0.651 119.648 119.070 -0.122 0.000 2.622 697 H HA 0.366 4.922 4.556 -0.000 0.000 0.269 697 H C 0.049 175.344 175.328 -0.054 0.000 0.977 697 H CA 0.120 56.099 56.048 -0.116 0.000 1.179 697 H CB 0.242 29.894 29.762 -0.184 0.000 1.458 697 H HN 0.471 nan 8.280 nan 0.000 0.531 698 N N 0.704 119.419 118.700 0.025 0.000 3.261 698 N HA -0.023 4.717 4.740 -0.000 0.000 0.227 698 N C 0.445 175.941 175.510 -0.024 0.000 1.338 698 N CA -0.206 52.865 53.050 0.035 0.000 0.833 698 N CB 0.959 39.482 38.487 0.060 0.000 1.606 698 N HN -0.100 nan 8.380 nan 0.000 0.649 699 K N 1.634 121.980 120.400 -0.090 0.000 2.218 699 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 699 K C 0.439 176.939 176.600 -0.167 0.000 1.046 699 K CA 1.554 57.703 56.287 -0.231 0.000 0.933 699 K CB 0.018 32.177 32.500 -0.569 0.000 0.728 699 K HN 0.479 nan 8.250 nan 0.000 0.454 700 Y N -0.135 120.148 120.300 -0.029 0.000 2.439 700 Y HA 0.106 4.656 4.550 -0.001 0.000 0.292 700 Y C 0.999 176.902 175.900 0.006 0.000 1.130 700 Y CA 0.256 58.351 58.100 -0.008 0.000 1.254 700 Y CB -0.313 38.172 38.460 0.041 0.000 1.000 700 Y HN 0.015 nan 8.280 nan 0.000 0.554 701 A N 0.141 123.041 122.820 0.133 0.000 2.310 701 A HA 0.643 4.963 4.320 -0.000 0.000 0.299 701 A C 0.778 178.355 177.584 -0.012 0.000 1.147 701 A CA -0.015 52.056 52.037 0.058 0.000 0.818 701 A CB 0.084 19.103 19.000 0.031 0.000 1.096 701 A HN 0.279 nan 8.150 nan 0.000 0.495 702 G N 0.256 109.035 108.800 -0.034 0.000 2.448 702 G HA2 0.511 4.471 3.960 -0.000 0.000 0.285 702 G HA3 0.511 4.471 3.960 -0.000 0.000 0.285 702 G C -0.570 174.262 174.900 -0.113 0.000 1.176 702 G CA -0.149 44.908 45.100 -0.071 0.000 0.852 702 G HN 0.720 nan 8.290 nan 0.000 0.530 703 E N -0.150 119.965 120.200 -0.142 0.000 2.238 703 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 703 E C -0.018 176.446 176.600 -0.226 0.000 0.887 703 E CA -0.655 55.603 56.400 -0.237 0.000 0.769 703 E CB 1.583 31.093 29.700 -0.317 0.000 1.187 703 E HN 0.513 nan 8.360 nan 0.000 0.416 704 S N 2.489 117.974 115.700 -0.359 0.000 2.617 704 S HA 0.484 4.954 4.470 -0.000 0.000 0.283 704 S C -0.295 174.141 174.600 -0.273 0.000 1.189 704 S CA -0.621 57.202 58.200 -0.628 0.000 1.036 704 S CB 0.151 62.540 63.200 -1.351 0.000 1.014 704 S HN 0.539 nan 8.310 nan 0.000 0.522 705 F N 0.261 120.087 119.950 -0.207 0.000 2.783 705 F HA -0.099 4.427 4.527 -0.000 0.000 0.222 705 F C -1.267 174.560 175.800 0.045 0.000 1.028 705 F CA 0.301 58.279 58.000 -0.038 0.000 0.862 705 F CB -1.880 37.147 39.000 0.046 0.000 0.744 705 F HN 0.548 nan 8.300 nan 0.000 0.850 706 P HA -0.169 nan 4.420 nan 0.000 0.218 706 P C 1.854 179.272 177.300 0.197 0.000 1.148 706 P CA 2.040 65.220 63.100 0.133 0.000 0.822 706 P CB 0.033 31.754 31.700 0.035 0.000 0.784 707 G N 0.303 109.209 108.800 0.176 0.000 2.402 707 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 707 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 707 G C 1.664 176.653 174.900 0.149 0.000 1.162 707 G CA 0.461 45.645 45.100 0.140 0.000 0.777 707 G HN 0.249 nan 8.290 nan 0.000 0.539 708 I N -0.936 119.748 120.570 0.190 0.000 2.286 708 I HA -0.088 4.081 4.170 -0.000 0.000 0.245 708 I C 2.424 178.657 176.117 0.194 0.000 1.104 708 I CA 0.862 62.262 61.300 0.168 0.000 1.397 708 I CB -0.336 37.782 38.000 0.196 0.000 1.072 708 I HN 0.196 nan 8.210 nan 0.000 0.417 709 Y N 2.185 122.581 120.300 0.160 0.000 2.128 709 Y HA -0.334 4.216 4.550 -0.001 0.000 0.284 709 Y C 2.206 178.209 175.900 0.171 0.000 1.154 709 Y CA 1.975 60.175 58.100 0.168 0.000 1.149 709 Y CB -0.166 38.383 38.460 0.149 0.000 0.976 709 Y HN 0.163 nan 8.280 nan 0.000 0.505 710 D N -0.123 120.473 120.400 0.326 0.000 2.178 710 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 710 D C 2.219 178.580 176.300 0.101 0.000 0.974 710 D CA 1.188 55.331 54.000 0.240 0.000 0.841 710 D CB -0.477 40.437 40.800 0.188 0.000 0.953 710 D HN 0.494 nan 8.370 nan 0.000 0.478 711 A N 0.362 123.203 122.820 0.035 0.000 1.972 711 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 711 A C 2.242 179.708 177.584 -0.196 0.000 1.169 711 A CA 0.852 52.845 52.037 -0.072 0.000 0.635 711 A CB -0.555 18.400 19.000 -0.074 0.000 0.810 711 A HN 0.229 nan 8.150 nan 0.000 0.446 712 L N -2.090 119.024 121.223 -0.181 0.000 2.446 712 L HA 0.155 4.495 4.340 -0.000 0.000 0.219 712 L C 0.747 177.468 176.870 -0.249 0.000 1.116 712 L CA -0.404 54.259 54.840 -0.296 0.000 0.844 712 L CB -0.137 41.813 42.059 -0.181 0.000 0.970 712 L HN 0.422 nan 8.230 nan 0.000 0.457 713 F N 1.828 121.608 119.950 -0.283 0.000 2.578 713 F HA -0.019 4.507 4.527 -0.000 0.000 0.381 713 F C 1.112 176.873 175.800 -0.064 0.000 1.069 713 F CA -0.084 57.802 58.000 -0.191 0.000 1.231 713 F CB 0.019 38.987 39.000 -0.053 0.000 1.086 713 F HN 0.087 nan 8.300 nan 0.000 0.564 714 D N 4.441 124.369 120.400 -0.787 0.000 2.811 714 D HA -0.313 4.327 4.640 -0.000 0.000 0.231 714 D C 1.091 177.234 176.300 -0.261 0.000 1.157 714 D CA 1.207 54.913 54.000 -0.490 0.000 0.716 714 D CB -1.398 39.207 40.800 -0.324 0.000 1.077 714 D HN 0.716 nan 8.370 nan 0.000 0.428 715 I N 0.264 120.654 120.570 -0.300 0.000 2.493 715 I HA -0.215 3.954 4.170 -0.000 0.000 0.254 715 I C 2.212 178.195 176.117 -0.223 0.000 1.160 715 I CA 1.465 62.555 61.300 -0.350 0.000 1.445 715 I CB -0.034 37.562 38.000 -0.672 0.000 1.086 715 I HN 0.254 nan 8.210 nan 0.000 0.433 716 E N 0.487 120.605 120.200 -0.137 0.000 2.409 716 E HA -0.203 4.146 4.350 -0.000 0.000 0.198 716 E C 1.723 178.298 176.600 -0.042 0.000 1.024 716 E CA 1.303 57.696 56.400 -0.012 0.000 0.861 716 E CB -0.406 29.342 29.700 0.081 0.000 0.788 716 E HN 0.574 nan 8.360 nan 0.000 0.521 717 S N -0.186 115.455 115.700 -0.098 0.000 2.556 717 S HA 0.101 4.571 4.470 -0.000 0.000 0.216 717 S C 0.660 175.224 174.600 -0.061 0.000 0.970 717 S CA -0.574 57.570 58.200 -0.094 0.000 0.912 717 S CB 0.131 63.237 63.200 -0.157 0.000 0.790 717 S HN -0.082 nan 8.310 nan 0.000 0.504 718 K N 1.349 121.710 120.400 -0.066 0.000 2.326 718 K HA 0.273 4.593 4.320 -0.000 0.000 0.275 718 K C 0.936 177.521 176.600 -0.026 0.000 1.018 718 K CA -0.189 56.066 56.287 -0.054 0.000 0.962 718 K CB 1.319 33.761 32.500 -0.095 0.000 0.953 718 K HN 0.019 nan 8.250 nan 0.000 0.475 719 V N 0.823 120.727 119.914 -0.018 0.000 2.951 719 V HA -0.122 3.998 4.120 -0.000 0.000 0.255 719 V C 0.346 176.444 176.094 0.005 0.000 1.088 719 V CA 1.346 63.645 62.300 -0.002 0.000 1.109 719 V CB -0.146 31.677 31.823 -0.001 0.000 0.724 719 V HN 0.690 nan 8.190 nan 0.000 0.471 720 D N -0.635 119.760 120.400 -0.008 0.000 2.432 720 D HA 0.233 4.872 4.640 -0.000 0.000 0.265 720 D C -1.625 174.662 176.300 -0.022 0.000 1.160 720 D CA -2.108 51.889 54.000 -0.004 0.000 0.911 720 D CB 1.680 42.471 40.800 -0.014 0.000 1.052 720 D HN 0.135 nan 8.370 nan 0.000 0.508 721 P HA -0.145 nan 4.420 nan 0.000 0.216 721 P C 1.510 178.704 177.300 -0.177 0.000 1.150 721 P CA 0.629 63.758 63.100 0.049 0.000 0.837 721 P CB 0.394 32.235 31.700 0.234 0.000 0.786 722 S N -0.259 115.314 115.700 -0.212 0.000 2.359 722 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 722 S C 2.091 176.545 174.600 -0.242 0.000 1.035 722 S CA 1.598 59.567 58.200 -0.386 0.000 1.018 722 S CB -0.660 62.531 63.200 -0.016 0.000 0.876 722 S HN 0.098 nan 8.310 nan 0.000 0.448 723 K N 0.396 120.720 120.400 -0.128 0.000 2.057 723 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 723 K C 2.194 178.713 176.600 -0.134 0.000 1.049 723 K CA 1.205 57.433 56.287 -0.098 0.000 0.931 723 K CB -0.504 31.957 32.500 -0.065 0.000 0.714 723 K HN 0.385 nan 8.250 nan 0.000 0.440 724 A N 0.306 123.017 122.820 -0.182 0.000 1.902 724 A HA -0.155 4.164 4.320 -0.000 0.000 0.217 724 A C 1.812 179.174 177.584 -0.370 0.000 1.181 724 A CA 1.344 53.211 52.037 -0.283 0.000 0.623 724 A CB -0.971 17.816 19.000 -0.356 0.000 0.818 724 A HN 0.574 nan 8.150 nan 0.000 0.443 725 W N -0.224 120.894 121.300 -0.303 0.000 2.467 725 W HA 0.124 4.784 4.660 -0.000 0.000 0.275 725 W C 2.448 178.856 176.519 -0.184 0.000 1.239 725 W CA 0.723 57.910 57.345 -0.264 0.000 1.266 725 W CB -0.348 28.865 29.460 -0.411 0.000 1.112 725 W HN 0.388 nan 8.180 nan 0.000 0.576 726 G N 0.275 109.063 108.800 -0.021 0.000 2.440 726 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 726 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 726 G C 1.280 176.171 174.900 -0.015 0.000 1.154 726 G CA 1.516 46.611 45.100 -0.008 0.000 0.767 726 G HN 0.266 nan 8.290 nan 0.000 0.552 727 E N 0.137 120.303 120.200 -0.057 0.000 2.152 727 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 727 E C 2.572 179.142 176.600 -0.050 0.000 0.983 727 E CA 0.634 57.004 56.400 -0.051 0.000 0.818 727 E CB -0.259 29.397 29.700 -0.073 0.000 0.758 727 E HN 0.190 nan 8.360 nan 0.000 0.467 728 V N 1.136 120.997 119.914 -0.088 0.000 2.287 728 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 728 V C 2.248 178.333 176.094 -0.016 0.000 1.053 728 V CA 2.303 64.568 62.300 -0.059 0.000 1.027 728 V CB -0.475 31.308 31.823 -0.067 0.000 0.646 728 V HN 0.268 nan 8.190 nan 0.000 0.447 729 K N -0.437 119.976 120.400 0.022 0.000 2.097 729 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 729 K C 2.408 179.022 176.600 0.023 0.000 1.049 729 K CA 1.499 57.784 56.287 -0.002 0.000 0.933 729 K CB -0.246 32.270 32.500 0.026 0.000 0.717 729 K HN 0.310 nan 8.250 nan 0.000 0.442 730 R N 0.840 121.367 120.500 0.046 0.000 2.081 730 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 730 R C 2.147 178.517 176.300 0.118 0.000 1.131 730 R CA 1.358 57.529 56.100 0.118 0.000 0.960 730 R CB 0.124 30.473 30.300 0.082 0.000 0.856 730 R HN 0.163 nan 8.270 nan 0.000 0.436 731 Q N 0.223 120.051 119.800 0.047 0.000 2.172 731 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 731 Q C 2.178 178.183 176.000 0.009 0.000 0.964 731 Q CA 1.071 56.895 55.803 0.036 0.000 0.855 731 Q CB -0.024 28.736 28.738 0.037 0.000 0.918 731 Q HN 0.466 nan 8.270 nan 0.000 0.444 732 I N 0.150 120.692 120.570 -0.047 0.000 2.226 732 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 732 I C 2.355 178.473 176.117 0.002 0.000 1.100 732 I CA 1.328 62.547 61.300 -0.135 0.000 1.374 732 I CB -0.437 37.358 38.000 -0.341 0.000 1.057 732 I HN 0.126 nan 8.210 nan 0.000 0.413 733 Y N 1.580 121.842 120.300 -0.064 0.000 2.145 733 Y HA -0.223 4.326 4.550 -0.000 0.000 0.286 733 Y C 2.379 178.320 175.900 0.068 0.000 1.145 733 Y CA 1.501 59.600 58.100 -0.002 0.000 1.148 733 Y CB -0.833 37.619 38.460 -0.013 0.000 0.981 733 Y HN -0.108 nan 8.280 nan 0.000 0.507 734 V N 0.904 120.768 119.914 -0.084 0.000 2.332 734 V HA -0.324 3.795 4.120 -0.000 0.000 0.248 734 V C 2.758 178.867 176.094 0.025 0.000 1.055 734 V CA 1.958 64.177 62.300 -0.134 0.000 1.038 734 V CB -1.678 30.106 31.823 -0.065 0.000 0.651 734 V HN 0.592 nan 8.190 nan 0.000 0.450 735 A N -0.183 122.657 122.820 0.035 0.000 1.898 735 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 735 A C 2.419 180.030 177.584 0.045 0.000 1.181 735 A CA 1.853 53.932 52.037 0.070 0.000 0.620 735 A CB -0.725 18.244 19.000 -0.053 0.000 0.819 735 A HN 0.551 nan 8.150 nan 0.000 0.442 736 A N -0.912 121.918 122.820 0.017 0.000 1.902 736 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 736 A C 2.036 179.667 177.584 0.080 0.000 1.181 736 A CA 1.643 53.708 52.037 0.047 0.000 0.623 736 A CB -0.745 18.301 19.000 0.078 0.000 0.818 736 A HN 0.763 nan 8.150 nan 0.000 0.443 737 F N 1.576 121.511 119.950 -0.025 0.000 2.134 737 F HA -0.145 4.382 4.527 -0.001 0.000 0.299 737 F C 2.307 178.085 175.800 -0.037 0.000 1.097 737 F CA 2.329 60.297 58.000 -0.053 0.000 1.264 737 F CB -0.856 38.023 39.000 -0.200 0.000 1.001 737 F HN 0.189 nan 8.300 nan 0.000 0.479 738 T N 0.224 114.561 114.554 -0.361 0.000 2.777 738 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 738 T C 2.214 176.761 174.700 -0.255 0.000 1.040 738 T CA 1.482 63.322 62.100 -0.433 0.000 1.141 738 T CB -0.618 68.194 68.868 -0.093 0.000 0.868 738 T HN 0.151 nan 8.240 nan 0.000 0.444 739 V N 1.573 121.472 119.914 -0.024 0.000 2.343 739 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 739 V C 2.652 178.784 176.094 0.063 0.000 1.051 739 V CA 1.777 64.147 62.300 0.117 0.000 1.036 739 V CB -0.654 31.266 31.823 0.161 0.000 0.654 739 V HN 0.375 nan 8.190 nan 0.000 0.451 740 Q N 0.621 120.396 119.800 -0.040 0.000 2.084 740 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 740 Q C 2.090 177.987 176.000 -0.172 0.000 0.978 740 Q CA 2.177 57.953 55.803 -0.046 0.000 0.844 740 Q CB -0.525 28.205 28.738 -0.014 0.000 0.898 740 Q HN 0.588 nan 8.270 nan 0.000 0.426 741 A N 0.144 122.727 122.820 -0.396 0.000 1.930 741 A HA 0.032 4.351 4.320 -0.000 0.000 0.217 741 A C 2.274 179.646 177.584 -0.353 0.000 1.175 741 A CA 1.621 53.397 52.037 -0.436 0.000 0.627 741 A CB -1.083 17.444 19.000 -0.788 0.000 0.815 741 A HN 0.517 nan 8.150 nan 0.000 0.443 742 A N 0.022 122.609 122.820 -0.388 0.000 1.902 742 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 742 A C 2.516 179.906 177.584 -0.322 0.000 1.181 742 A CA 2.027 53.786 52.037 -0.464 0.000 0.623 742 A CB -1.085 17.411 19.000 -0.840 0.000 0.818 742 A HN 1.065 nan 8.150 nan 0.000 0.443 743 A N 0.011 122.728 122.820 -0.172 0.000 1.917 743 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 743 A C 1.872 179.274 177.584 -0.304 0.000 1.182 743 A CA 1.816 53.629 52.037 -0.373 0.000 0.633 743 A CB -0.637 18.279 19.000 -0.139 0.000 0.819 743 A HN 0.655 nan 8.150 nan 0.000 0.448 744 E N -0.688 119.389 120.200 -0.205 0.000 2.338 744 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 744 E C 2.002 178.501 176.600 -0.170 0.000 1.007 744 E CA 1.267 57.575 56.400 -0.154 0.000 0.849 744 E CB -0.315 29.321 29.700 -0.108 0.000 0.774 744 E HN 0.886 nan 8.360 nan 0.000 0.506 745 T N -1.193 113.226 114.554 -0.226 0.000 3.035 745 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 745 T C 1.681 176.249 174.700 -0.221 0.000 1.109 745 T CA 0.511 62.488 62.100 -0.206 0.000 1.119 745 T CB -0.081 68.652 68.868 -0.224 0.000 0.900 745 T HN 0.096 nan 8.240 nan 0.000 0.503 746 L N 0.823 121.867 121.223 -0.299 0.000 2.585 746 L HA 0.278 4.617 4.340 -0.000 0.000 0.226 746 L C 1.192 178.023 176.870 -0.065 0.000 1.113 746 L CA -0.380 54.250 54.840 -0.349 0.000 0.876 746 L CB -0.150 41.555 42.059 -0.589 0.000 1.072 746 L HN 0.141 nan 8.230 nan 0.000 0.468 747 S N 0.222 115.879 115.700 -0.072 0.000 2.580 747 S HA 0.026 4.496 4.470 -0.000 0.000 0.266 747 S C 0.370 174.990 174.600 0.033 0.000 1.354 747 S CA -0.396 57.800 58.200 -0.007 0.000 1.008 747 S CB 0.392 63.572 63.200 -0.033 0.000 0.898 747 S HN 0.203 nan 8.310 nan 0.000 0.555 748 E N 0.712 120.933 120.200 0.035 0.000 2.442 748 E HA -0.021 4.328 4.350 -0.000 0.000 0.262 748 E C 1.213 177.819 176.600 0.009 0.000 1.004 748 E CA -0.052 56.364 56.400 0.027 0.000 0.928 748 E CB 0.433 30.142 29.700 0.015 0.000 0.937 748 E HN 0.521 nan 8.360 nan 0.000 0.446 749 V N 0.011 119.929 119.914 0.007 0.000 3.129 749 V HA 0.273 4.393 4.120 -0.000 0.000 0.259 749 V C 0.553 176.642 176.094 -0.010 0.000 1.116 749 V CA 1.157 63.454 62.300 -0.005 0.000 1.127 749 V CB -0.513 31.308 31.823 -0.004 0.000 0.742 749 V HN 0.640 nan 8.190 nan 0.000 0.474 750 A N 0.000 122.817 122.820 -0.006 0.000 2.254 750 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 750 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 750 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486