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 2p9g_1_B DATA FIRST_RESID 7 DATA SEQUENCE EKDKIKFLLV EGVHQKALES LRAAGYTNIE FHKGALDDEQ LKESIRDAHF DATA SEQUENCE IGLRSRTHLT EDVINAAEKL VAIGAFAIGT NQVDLDAAAK RGIPVFNAPF DATA SEQUENCE SNTRSVAELV IGELLLLLRG VPEANAKAHR GVWNKLAAGS FEARGKKLGI DATA SEQUENCE IGYGHIGTQL GILAESLGMY VYFYDIENKL PLGNATQVQH LSDLLNMSDV DATA SEQUENCE VSLHVPENPS TKNMMGAKEI SLMKPGSLLI NASRGTVVDI PALADALASK DATA SEQUENCE HLAGAAIDVF PTEPATNSDP FTSPLAEFDN VLLTPHIGGS TQEAQENIGL DATA SEQUENCE EVAGKLIKYS DNGSTLSAVN FPEVSLPLHV VRRLMHIHEN RPGVLTALNK DATA SEQUENCE IFAEQGVNIA AQYLQTSAQM GYVVIDIEAD EDVAEKALQA MKAIPGTIRA DATA SEQUENCE RLLY 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.362 176.600 -0.397 0.000 1.382 7 E CA 0.000 55.986 56.400 -0.690 0.000 0.976 7 E CB 0.000 29.536 29.700 -0.273 0.000 0.812 8 K N 3.332 123.660 120.400 -0.121 0.000 4.047 8 K HA -0.142 4.178 4.320 -0.000 0.000 0.379 8 K C -0.610 176.024 176.600 0.057 0.000 0.767 8 K CA 0.891 57.174 56.287 -0.008 0.000 0.823 8 K CB -0.878 31.642 32.500 0.032 0.000 1.888 8 K HN 0.449 nan 8.250 nan 0.000 0.316 9 D N 3.549 123.973 120.400 0.039 0.000 2.789 9 D HA -0.143 4.496 4.640 -0.000 0.000 0.249 9 D C 0.116 176.487 176.300 0.118 0.000 1.290 9 D CA 0.594 54.648 54.000 0.090 0.000 0.989 9 D CB 0.106 40.937 40.800 0.052 0.000 1.145 9 D HN 0.559 nan 8.370 nan 0.000 0.449 10 K N -0.463 120.019 120.400 0.136 0.000 2.502 10 K HA 0.224 4.544 4.320 -0.000 0.000 0.211 10 K C 0.656 177.361 176.600 0.175 0.000 1.259 10 K CA -0.358 56.010 56.287 0.134 0.000 0.983 10 K CB 1.141 33.697 32.500 0.093 0.000 1.054 10 K HN 0.110 nan 8.250 nan 0.000 0.572 11 I N 2.993 123.676 120.570 0.188 0.000 2.436 11 I HA 0.002 4.172 4.170 -0.000 0.000 0.289 11 I C 0.180 176.489 176.117 0.318 0.000 1.083 11 I CA 0.016 61.396 61.300 0.133 0.000 1.372 11 I CB 0.389 38.471 38.000 0.137 0.000 1.408 11 I HN -0.064 nan 8.210 nan 0.000 0.516 12 K N 7.132 127.760 120.400 0.380 0.000 2.258 12 K HA 0.360 4.680 4.320 -0.000 0.000 0.284 12 K C -1.264 175.425 176.600 0.148 0.000 1.051 12 K CA -0.393 56.062 56.287 0.279 0.000 0.923 12 K CB 0.614 33.229 32.500 0.192 0.000 1.046 12 K HN 0.268 nan 8.250 nan 0.000 0.474 13 F N 4.418 124.516 119.950 0.246 0.000 2.427 13 F HA 0.292 4.819 4.527 -0.000 0.000 0.346 13 F C -0.077 175.829 175.800 0.175 0.000 1.120 13 F CA -1.028 57.111 58.000 0.231 0.000 1.033 13 F CB 1.152 40.254 39.000 0.170 0.000 1.126 13 F HN 0.302 nan 8.300 nan 0.000 0.462 14 L N 5.544 126.946 121.223 0.298 0.000 2.287 14 L HA 0.606 4.946 4.340 -0.000 0.000 0.287 14 L C -1.330 175.661 176.870 0.202 0.000 1.022 14 L CA -0.540 54.426 54.840 0.211 0.000 0.814 14 L CB 0.810 42.940 42.059 0.117 0.000 1.217 14 L HN 0.490 nan 8.230 nan 0.000 0.420 15 L N 6.765 128.094 121.223 0.176 0.000 2.343 15 L HA 0.718 5.058 4.340 -0.000 0.000 0.278 15 L C -0.534 176.307 176.870 -0.049 0.000 0.996 15 L CA -0.835 54.050 54.840 0.074 0.000 0.831 15 L CB 1.786 43.922 42.059 0.129 0.000 1.232 15 L HN 0.535 nan 8.230 nan 0.000 0.413 16 V N -0.624 119.226 119.914 -0.107 0.000 3.001 16 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 16 V C -0.068 175.923 176.094 -0.173 0.000 1.099 16 V CA -0.620 61.577 62.300 -0.172 0.000 0.989 16 V CB 1.758 33.484 31.823 -0.160 0.000 1.040 16 V HN 0.862 nan 8.190 nan 0.000 0.434 17 E N 1.480 121.567 120.200 -0.188 0.000 2.553 17 E HA -0.126 4.224 4.350 -0.000 0.000 0.264 17 E C 0.763 177.295 176.600 -0.114 0.000 1.068 17 E CA 0.564 56.884 56.400 -0.134 0.000 0.774 17 E CB -1.566 28.083 29.700 -0.085 0.000 1.349 17 E HN 2.313 nan 8.360 nan 0.000 0.404 18 G N -0.112 108.572 108.800 -0.193 0.000 2.370 18 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.293 18 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.293 18 G C 0.346 175.316 174.900 0.117 0.000 0.992 18 G CA 0.270 45.379 45.100 0.014 0.000 1.247 18 G HN 0.346 nan 8.290 nan 0.000 0.505 19 V N 2.546 122.536 119.914 0.126 0.000 3.096 19 V HA 0.110 4.230 4.120 -0.000 0.000 0.306 19 V C 1.525 177.675 176.094 0.094 0.000 1.088 19 V CA -0.673 61.626 62.300 -0.002 0.000 1.129 19 V CB 1.245 32.833 31.823 -0.391 0.000 1.014 19 V HN 0.653 nan 8.190 nan 0.000 0.486 20 H N 3.044 122.122 119.070 0.014 0.000 2.897 20 H HA 0.016 4.572 4.556 -0.000 0.000 0.347 20 H C 1.052 176.347 175.328 -0.055 0.000 1.068 20 H CA 0.320 56.371 56.048 0.004 0.000 1.426 20 H CB 0.999 30.777 29.762 0.028 0.000 1.410 20 H HN 0.641 nan 8.280 nan 0.000 0.597 21 Q N 3.272 122.960 119.800 -0.187 0.000 2.234 21 Q HA -0.142 4.197 4.340 -0.000 0.000 0.206 21 Q C 1.702 177.743 176.000 0.068 0.000 0.980 21 Q CA 0.879 56.599 55.803 -0.140 0.000 0.869 21 Q CB 0.219 28.809 28.738 -0.247 0.000 0.912 21 Q HN 0.501 nan 8.270 nan 0.000 0.436 22 K N 0.549 121.180 120.400 0.384 0.000 2.034 22 K HA -0.167 4.153 4.320 -0.000 0.000 0.214 22 K C 1.961 178.601 176.600 0.068 0.000 1.051 22 K CA 1.446 57.827 56.287 0.156 0.000 0.931 22 K CB -0.883 31.628 32.500 0.018 0.000 0.715 22 K HN 0.233 nan 8.250 nan 0.000 0.446 23 A N 0.922 123.805 122.820 0.105 0.000 1.903 23 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 23 A C 2.251 179.826 177.584 -0.016 0.000 1.191 23 A CA 1.875 53.965 52.037 0.089 0.000 0.638 23 A CB -0.671 18.439 19.000 0.182 0.000 0.823 23 A HN 0.205 nan 8.150 nan 0.000 0.451 24 L N -0.208 120.976 121.223 -0.065 0.000 2.141 24 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 24 L C 2.393 179.207 176.870 -0.092 0.000 1.094 24 L CA 2.008 56.780 54.840 -0.114 0.000 0.763 24 L CB -0.721 41.236 42.059 -0.170 0.000 0.908 24 L HN 0.498 nan 8.230 nan 0.000 0.437 25 E N -0.938 119.223 120.200 -0.064 0.000 2.031 25 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 25 E C 2.291 178.861 176.600 -0.051 0.000 0.994 25 E CA 1.395 57.764 56.400 -0.052 0.000 0.800 25 E CB -0.263 29.416 29.700 -0.035 0.000 0.752 25 E HN 0.326 nan 8.360 nan 0.000 0.447 26 S N 1.249 116.922 115.700 -0.044 0.000 2.368 26 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 26 S C 2.048 176.609 174.600 -0.066 0.000 1.044 26 S CA 1.105 59.276 58.200 -0.049 0.000 1.062 26 S CB -0.390 62.785 63.200 -0.042 0.000 0.931 26 S HN 0.187 nan 8.310 nan 0.000 0.440 27 L N 0.662 121.815 121.223 -0.116 0.000 2.013 27 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 27 L C 2.686 179.512 176.870 -0.073 0.000 1.073 27 L CA 1.543 56.277 54.840 -0.177 0.000 0.753 27 L CB -0.508 41.331 42.059 -0.367 0.000 0.890 27 L HN 0.265 nan 8.230 nan 0.000 0.432 28 R N -0.336 120.121 120.500 -0.073 0.000 2.148 28 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 28 R C 2.179 178.453 176.300 -0.044 0.000 1.088 28 R CA 0.914 56.984 56.100 -0.049 0.000 0.985 28 R CB -0.262 30.007 30.300 -0.052 0.000 0.880 28 R HN 0.310 nan 8.270 nan 0.000 0.451 29 A N 0.466 123.261 122.820 -0.042 0.000 2.239 29 A HA 0.118 4.438 4.320 -0.000 0.000 0.209 29 A C 1.678 179.236 177.584 -0.043 0.000 1.171 29 A CA 1.181 53.193 52.037 -0.041 0.000 0.768 29 A CB 0.010 18.988 19.000 -0.037 0.000 0.790 29 A HN 0.320 nan 8.150 nan 0.000 0.478 30 A N -2.587 120.213 122.820 -0.032 0.000 2.508 30 A HA 0.498 4.818 4.320 -0.000 0.000 0.257 30 A C 1.491 178.961 177.584 -0.191 0.000 1.226 30 A CA 0.931 52.946 52.037 -0.036 0.000 0.947 30 A CB -0.201 18.855 19.000 0.094 0.000 1.079 30 A HN 1.640 nan 8.150 nan 0.000 0.531 31 G N -1.279 107.414 108.800 -0.179 0.000 2.254 31 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 31 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 31 G C -0.027 174.728 174.900 -0.242 0.000 1.003 31 G CA 0.037 44.980 45.100 -0.262 0.000 0.622 31 G HN 0.421 nan 8.290 nan 0.000 0.507 32 Y N 2.646 122.938 120.300 -0.013 0.000 2.624 32 Y HA 0.411 4.961 4.550 -0.000 0.000 0.354 32 Y C 1.932 177.823 175.900 -0.015 0.000 1.051 32 Y CA 0.758 58.881 58.100 0.037 0.000 1.377 32 Y CB 0.769 39.239 38.460 0.016 0.000 1.168 32 Y HN 0.235 nan 8.280 nan 0.000 0.525 33 T N -2.380 112.261 114.554 0.146 0.000 3.001 33 T HA 0.022 4.372 4.350 -0.000 0.000 0.251 33 T C 0.532 175.311 174.700 0.131 0.000 1.040 33 T CA -0.385 61.767 62.100 0.086 0.000 0.985 33 T CB -0.071 68.823 68.868 0.045 0.000 1.011 33 T HN 0.603 nan 8.240 nan 0.000 0.509 34 N N 1.476 120.308 118.700 0.220 0.000 2.508 34 N HA 0.308 5.048 4.740 -0.000 0.000 0.253 34 N C -1.143 174.552 175.510 0.309 0.000 1.145 34 N CA -0.204 52.987 53.050 0.236 0.000 0.973 34 N CB 0.056 38.690 38.487 0.246 0.000 1.305 34 N HN 0.424 nan 8.380 nan 0.000 0.506 35 I N 1.930 122.632 120.570 0.219 0.000 2.512 35 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 35 I C -0.445 175.785 176.117 0.189 0.000 1.069 35 I CA -0.678 60.760 61.300 0.230 0.000 1.056 35 I CB 2.212 40.293 38.000 0.136 0.000 1.229 35 I HN 0.371 nan 8.210 nan 0.000 0.429 36 E N 6.390 126.720 120.200 0.216 0.000 2.081 36 E HA 0.314 4.664 4.350 -0.000 0.000 0.276 36 E C -1.625 175.110 176.600 0.225 0.000 0.950 36 E CA -0.569 55.940 56.400 0.182 0.000 0.776 36 E CB 1.321 31.138 29.700 0.194 0.000 1.094 36 E HN 0.423 nan 8.360 nan 0.000 0.402 37 F N 4.956 124.890 119.950 -0.026 0.000 2.443 37 F HA 0.357 4.884 4.527 -0.000 0.000 0.335 37 F C -0.700 174.979 175.800 -0.201 0.000 1.104 37 F CA -0.483 57.489 58.000 -0.046 0.000 1.013 37 F CB 0.881 39.836 39.000 -0.076 0.000 1.136 37 F HN 0.447 nan 8.300 nan 0.000 0.470 38 H N 5.486 123.909 119.070 -1.079 0.000 2.589 38 H HA 0.182 4.737 4.556 -0.000 0.000 0.351 38 H C 0.340 174.934 175.328 -1.225 0.000 1.074 38 H CA -0.753 54.761 56.048 -0.890 0.000 1.203 38 H CB 2.441 31.952 29.762 -0.418 0.000 1.558 38 H HN 0.742 nan 8.280 nan 0.000 0.522 39 K N 2.014 122.033 120.400 -0.635 0.000 2.209 39 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 39 K C 0.819 177.307 176.600 -0.187 0.000 1.048 39 K CA 1.015 57.126 56.287 -0.294 0.000 0.940 39 K CB 0.264 32.732 32.500 -0.052 0.000 0.729 39 K HN 0.713 nan 8.250 nan 0.000 0.451 40 G N -1.059 107.649 108.800 -0.154 0.000 3.086 40 G HA2 0.601 4.561 3.960 -0.000 0.000 0.282 40 G HA3 0.601 4.561 3.960 -0.000 0.000 0.282 40 G C -1.454 173.369 174.900 -0.130 0.000 1.343 40 G CA -0.335 44.697 45.100 -0.112 0.000 0.895 40 G HN 0.233 nan 8.290 nan 0.000 0.557 41 A N -1.226 121.523 122.820 -0.118 0.000 2.296 41 A HA 0.768 5.088 4.320 -0.000 0.000 0.264 41 A C -0.341 177.150 177.584 -0.154 0.000 1.097 41 A CA -0.113 51.839 52.037 -0.142 0.000 0.811 41 A CB 0.187 19.107 19.000 -0.133 0.000 1.072 41 A HN 0.674 nan 8.150 nan 0.000 0.495 42 L N 0.134 121.252 121.223 -0.176 0.000 2.354 42 L HA 0.407 4.747 4.340 -0.000 0.000 0.264 42 L C -0.477 176.321 176.870 -0.120 0.000 1.008 42 L CA -1.166 53.575 54.840 -0.166 0.000 0.819 42 L CB 1.780 43.693 42.059 -0.242 0.000 1.339 42 L HN 0.850 nan 8.230 nan 0.000 0.420 43 D N -0.960 119.386 120.400 -0.091 0.000 2.361 43 D HA -0.033 4.606 4.640 -0.000 0.000 0.239 43 D C 0.424 176.685 176.300 -0.065 0.000 1.200 43 D CA -0.275 53.684 54.000 -0.068 0.000 0.915 43 D CB 0.571 41.342 40.800 -0.048 0.000 1.170 43 D HN 0.458 nan 8.370 nan 0.000 0.444 44 D N -0.297 120.074 120.400 -0.048 0.000 2.203 44 D HA -0.217 4.423 4.640 -0.000 0.000 0.199 44 D C 1.692 177.969 176.300 -0.039 0.000 0.997 44 D CA 1.968 55.945 54.000 -0.039 0.000 0.863 44 D CB -0.095 40.691 40.800 -0.024 0.000 0.928 44 D HN 0.820 nan 8.370 nan 0.000 0.458 45 E N 0.040 120.218 120.200 -0.037 0.000 2.140 45 E HA -0.106 4.243 4.350 -0.000 0.000 0.191 45 E C 1.931 178.509 176.600 -0.038 0.000 0.973 45 E CA 0.658 57.039 56.400 -0.032 0.000 0.829 45 E CB -0.395 29.291 29.700 -0.023 0.000 0.781 45 E HN 0.012 nan 8.360 nan 0.000 0.466 46 Q N 0.088 119.858 119.800 -0.049 0.000 2.331 46 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 46 Q C 1.856 177.803 176.000 -0.088 0.000 0.944 46 Q CA 0.673 56.442 55.803 -0.057 0.000 0.892 46 Q CB -0.075 28.629 28.738 -0.057 0.000 0.983 46 Q HN 0.416 nan 8.270 nan 0.000 0.482 47 L N 0.736 121.901 121.223 -0.098 0.000 2.005 47 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 47 L C 2.122 178.949 176.870 -0.071 0.000 1.072 47 L CA 2.094 56.870 54.840 -0.106 0.000 0.744 47 L CB -0.642 41.360 42.059 -0.095 0.000 0.895 47 L HN 0.200 nan 8.230 nan 0.000 0.433 48 K N -0.738 119.630 120.400 -0.054 0.000 2.209 48 K HA -0.234 4.086 4.320 -0.000 0.000 0.204 48 K C 2.097 178.675 176.600 -0.038 0.000 1.048 48 K CA 1.636 57.898 56.287 -0.042 0.000 0.940 48 K CB -0.120 32.360 32.500 -0.034 0.000 0.729 48 K HN 0.554 nan 8.250 nan 0.000 0.451 49 E N -0.304 119.874 120.200 -0.036 0.000 2.112 49 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 49 E C 1.497 178.085 176.600 -0.019 0.000 0.979 49 E CA 0.769 57.155 56.400 -0.024 0.000 0.814 49 E CB 0.208 29.899 29.700 -0.016 0.000 0.762 49 E HN 0.233 nan 8.360 nan 0.000 0.460 50 S N 0.541 116.225 115.700 -0.027 0.000 2.461 50 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 50 S C 1.760 176.352 174.600 -0.013 0.000 1.005 50 S CA 0.310 58.506 58.200 -0.007 0.000 0.942 50 S CB 0.148 63.336 63.200 -0.020 0.000 0.776 50 S HN 0.314 nan 8.310 nan 0.000 0.514 51 I N 0.731 121.280 120.570 -0.035 0.000 3.860 51 I HA 0.168 4.338 4.170 -0.000 0.000 0.319 51 I C 2.205 178.283 176.117 -0.065 0.000 1.279 51 I CA 0.005 61.277 61.300 -0.046 0.000 1.220 51 I CB -0.002 37.970 38.000 -0.047 0.000 1.027 51 I HN 0.100 nan 8.210 nan 0.000 0.428 52 R N 1.331 121.799 120.500 -0.055 0.000 2.117 52 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 52 R C 0.477 176.722 176.300 -0.090 0.000 1.143 52 R CA 1.986 58.049 56.100 -0.062 0.000 0.968 52 R CB -0.103 30.172 30.300 -0.042 0.000 0.863 52 R HN 0.483 nan 8.270 nan 0.000 0.444 53 D N -1.238 119.107 120.400 -0.091 0.000 2.891 53 D HA 0.153 4.792 4.640 -0.000 0.000 0.312 53 D C -1.152 175.031 176.300 -0.195 0.000 1.354 53 D CA -0.306 53.611 54.000 -0.137 0.000 0.838 53 D CB 0.585 41.342 40.800 -0.071 0.000 1.117 53 D HN 0.146 nan 8.370 nan 0.000 0.473 54 A N 0.419 123.116 122.820 -0.206 0.000 2.288 54 A HA 0.384 4.704 4.320 -0.000 0.000 0.320 54 A C 0.606 177.994 177.584 -0.326 0.000 1.217 54 A CA -0.637 51.290 52.037 -0.184 0.000 0.840 54 A CB 0.647 19.609 19.000 -0.063 0.000 1.179 54 A HN 0.281 nan 8.150 nan 0.000 0.504 55 H N 1.609 120.541 119.070 -0.229 0.000 2.428 55 H HA 0.089 4.645 4.556 -0.000 0.000 0.296 55 H C -0.579 174.214 175.328 -0.890 0.000 1.062 55 H CA 1.499 57.248 56.048 -0.498 0.000 1.350 55 H CB 0.171 29.681 29.762 -0.419 0.000 1.403 55 H HN 0.630 nan 8.280 nan 0.000 0.533 56 F N -0.598 119.210 119.950 -0.237 0.000 2.613 56 F HA 0.466 4.992 4.527 -0.000 0.000 0.310 56 F C -0.384 175.399 175.800 -0.028 0.000 1.085 56 F CA -0.809 57.081 58.000 -0.184 0.000 0.945 56 F CB 2.590 41.345 39.000 -0.408 0.000 1.298 56 F HN -0.235 nan 8.300 nan 0.000 0.455 57 I N 0.886 121.611 120.570 0.258 0.000 2.608 57 I HA 0.788 4.958 4.170 -0.000 0.000 0.295 57 I C -0.826 175.479 176.117 0.313 0.000 1.049 57 I CA -0.489 60.945 61.300 0.223 0.000 1.063 57 I CB 1.987 40.054 38.000 0.112 0.000 1.248 57 I HN 0.688 nan 8.210 nan 0.000 0.424 58 G N 8.194 117.172 108.800 0.296 0.000 2.544 58 G HA2 0.626 4.586 3.960 -0.000 0.000 0.313 58 G HA3 0.626 4.586 3.960 -0.000 0.000 0.313 58 G C -1.145 173.840 174.900 0.142 0.000 1.316 58 G CA -0.439 44.878 45.100 0.362 0.000 0.944 58 G HN 0.541 nan 8.290 nan 0.000 0.489 59 L N -0.494 120.867 121.223 0.229 0.000 2.301 59 L HA 0.775 5.115 4.340 -0.000 0.000 0.249 59 L C -0.738 176.215 176.870 0.138 0.000 1.069 59 L CA -1.251 53.651 54.840 0.102 0.000 0.865 59 L CB 1.515 43.613 42.059 0.064 0.000 1.467 59 L HN 0.413 nan 8.230 nan 0.000 0.419 60 R N 0.120 120.656 120.500 0.060 0.000 3.006 60 R HA 0.411 4.751 4.340 -0.000 0.000 0.150 60 R C 1.349 177.675 176.300 0.043 0.000 1.285 60 R CA 0.390 56.529 56.100 0.064 0.000 0.813 60 R CB -0.232 30.084 30.300 0.026 0.000 1.582 60 R HN 0.846 nan 8.270 nan 0.000 0.441 61 S N 0.167 115.877 115.700 0.018 0.000 2.503 61 S HA 0.120 4.590 4.470 -0.000 0.000 0.215 61 S C 1.437 176.041 174.600 0.006 0.000 1.003 61 S CA 0.031 58.248 58.200 0.028 0.000 0.910 61 S CB 0.114 63.323 63.200 0.015 0.000 0.790 61 S HN 0.301 nan 8.310 nan 0.000 0.514 62 R N 1.048 121.509 120.500 -0.065 0.000 2.317 62 R HA 0.238 4.578 4.340 -0.000 0.000 0.208 62 R C -0.316 175.785 176.300 -0.332 0.000 0.914 62 R CA 0.275 56.274 56.100 -0.168 0.000 1.060 62 R CB 0.207 30.430 30.300 -0.129 0.000 1.015 62 R HN 0.245 nan 8.270 nan 0.000 0.498 63 T N 0.266 114.689 114.554 -0.217 0.000 2.797 63 T HA 0.285 4.635 4.350 -0.000 0.000 0.279 63 T C -0.777 173.874 174.700 -0.082 0.000 0.991 63 T CA -0.497 61.482 62.100 -0.202 0.000 0.979 63 T CB 1.324 70.137 68.868 -0.092 0.000 0.943 63 T HN 0.183 nan 8.240 nan 0.000 0.444 64 H N 2.499 121.557 119.070 -0.021 0.000 2.718 64 H HA 0.364 4.920 4.556 -0.000 0.000 0.295 64 H C -0.397 174.919 175.328 -0.020 0.000 1.051 64 H CA -0.764 55.274 56.048 -0.017 0.000 1.260 64 H CB 0.736 30.488 29.762 -0.015 0.000 1.403 64 H HN 0.279 nan 8.280 nan 0.000 0.488 65 L N 4.518 125.804 121.223 0.104 0.000 2.295 65 L HA 0.183 4.523 4.340 -0.000 0.000 0.288 65 L C 0.632 177.518 176.870 0.027 0.000 1.079 65 L CA -0.433 54.433 54.840 0.043 0.000 0.830 65 L CB 0.280 42.352 42.059 0.022 0.000 1.200 65 L HN 0.645 nan 8.230 nan 0.000 0.438 66 T N -2.157 112.409 114.554 0.019 0.000 2.927 66 T HA 0.173 4.523 4.350 -0.000 0.000 0.281 66 T C 0.976 175.670 174.700 -0.011 0.000 0.998 66 T CA -0.752 61.349 62.100 0.000 0.000 1.019 66 T CB 2.084 70.954 68.868 0.004 0.000 1.061 66 T HN 0.643 nan 8.240 nan 0.000 0.518 67 E N 0.705 120.894 120.200 -0.018 0.000 2.095 67 E HA -0.340 4.010 4.350 -0.000 0.000 0.212 67 E C 1.244 177.833 176.600 -0.019 0.000 1.044 67 E CA 2.441 58.829 56.400 -0.021 0.000 0.857 67 E CB -0.315 29.373 29.700 -0.021 0.000 0.764 67 E HN 0.714 nan 8.360 nan 0.000 0.462 68 D N -0.281 120.109 120.400 -0.016 0.000 2.123 68 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 68 D C 2.084 178.373 176.300 -0.018 0.000 0.992 68 D CA 1.379 55.369 54.000 -0.016 0.000 0.833 68 D CB -0.309 40.483 40.800 -0.013 0.000 0.954 68 D HN 0.164 nan 8.370 nan 0.000 0.455 69 V N 1.144 121.049 119.914 -0.015 0.000 2.237 69 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 69 V C 2.568 178.646 176.094 -0.027 0.000 1.046 69 V CA 1.283 63.572 62.300 -0.018 0.000 1.007 69 V CB -0.514 31.303 31.823 -0.010 0.000 0.638 69 V HN 0.164 nan 8.190 nan 0.000 0.445 70 I N 0.740 121.295 120.570 -0.026 0.000 2.194 70 I HA -0.271 3.899 4.170 -0.000 0.000 0.246 70 I C 2.153 178.246 176.117 -0.040 0.000 1.093 70 I CA 1.605 62.884 61.300 -0.035 0.000 1.355 70 I CB -0.526 37.454 38.000 -0.032 0.000 1.046 70 I HN 0.363 nan 8.210 nan 0.000 0.413 71 N N 0.622 119.302 118.700 -0.034 0.000 2.550 71 N HA -0.021 4.718 4.740 -0.000 0.000 0.186 71 N C 1.262 176.751 175.510 -0.036 0.000 1.110 71 N CA 1.095 54.124 53.050 -0.033 0.000 0.912 71 N CB 0.114 38.585 38.487 -0.027 0.000 0.968 71 N HN 0.381 nan 8.380 nan 0.000 0.448 72 A N -0.638 122.159 122.820 -0.037 0.000 2.431 72 A HA 0.488 4.808 4.320 -0.000 0.000 0.239 72 A C 0.783 178.337 177.584 -0.050 0.000 1.230 72 A CA -0.199 51.815 52.037 -0.039 0.000 0.928 72 A CB 0.248 19.229 19.000 -0.032 0.000 1.006 72 A HN 0.118 nan 8.150 nan 0.000 0.520 73 A N 1.009 123.794 122.820 -0.057 0.000 2.666 73 A HA 0.389 4.708 4.320 -0.000 0.000 0.301 73 A C 0.814 178.344 177.584 -0.090 0.000 1.470 73 A CA -0.068 51.923 52.037 -0.077 0.000 1.159 73 A CB -0.423 18.529 19.000 -0.080 0.000 1.116 73 A HN 0.562 nan 8.150 nan 0.000 0.548 74 E N 1.916 122.060 120.200 -0.093 0.000 2.077 74 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 74 E C 0.665 177.193 176.600 -0.120 0.000 0.989 74 E CA 1.448 57.794 56.400 -0.090 0.000 0.800 74 E CB -0.051 29.601 29.700 -0.080 0.000 0.746 74 E HN 0.749 nan 8.360 nan 0.000 0.452 75 K N 0.530 120.818 120.400 -0.187 0.000 2.498 75 K HA 0.171 4.490 4.320 -0.000 0.000 0.207 75 K C -0.479 175.945 176.600 -0.292 0.000 1.033 75 K CA -0.371 55.760 56.287 -0.260 0.000 1.138 75 K CB 0.520 32.755 32.500 -0.441 0.000 0.860 75 K HN -0.054 nan 8.250 nan 0.000 0.490 76 L N 1.261 122.350 121.223 -0.223 0.000 2.410 76 L HA 0.007 4.347 4.340 -0.000 0.000 0.273 76 L C 0.833 177.552 176.870 -0.253 0.000 1.144 76 L CA 0.491 55.185 54.840 -0.242 0.000 0.863 76 L CB 1.070 43.032 42.059 -0.162 0.000 1.140 76 L HN -0.062 nan 8.230 nan 0.000 0.463 77 V N 4.426 124.084 119.914 -0.426 0.000 2.806 77 V HA 0.514 4.634 4.120 -0.000 0.000 0.239 77 V C 0.654 176.592 176.094 -0.260 0.000 1.113 77 V CA 0.873 62.944 62.300 -0.381 0.000 1.137 77 V CB 0.210 31.661 31.823 -0.621 0.000 0.865 77 V HN 0.884 nan 8.190 nan 0.000 0.482 78 A N -0.626 121.999 122.820 -0.326 0.000 2.583 78 A HA 0.818 5.138 4.320 -0.000 0.000 0.289 78 A C -1.553 176.094 177.584 0.105 0.000 1.151 78 A CA -0.457 51.564 52.037 -0.026 0.000 0.695 78 A CB 1.595 20.674 19.000 0.130 0.000 1.290 78 A HN 0.128 nan 8.150 nan 0.000 0.419 79 I N 0.785 121.385 120.570 0.050 0.000 2.447 79 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 79 I C 0.340 176.538 176.117 0.135 0.000 1.023 79 I CA -0.507 60.846 61.300 0.088 0.000 1.083 79 I CB 2.223 40.219 38.000 -0.006 0.000 1.245 79 I HN 0.765 nan 8.210 nan 0.000 0.434 80 G N 4.720 113.651 108.800 0.218 0.000 2.468 80 G HA2 0.598 4.558 3.960 -0.000 0.000 0.315 80 G HA3 0.598 4.558 3.960 -0.000 0.000 0.315 80 G C -0.241 174.754 174.900 0.158 0.000 1.203 80 G CA -0.441 44.741 45.100 0.137 0.000 0.962 80 G HN 0.734 nan 8.290 nan 0.000 0.476 81 A N 2.873 125.732 122.820 0.065 0.000 2.544 81 A HA 0.488 4.808 4.320 -0.000 0.000 0.301 81 A C -0.203 177.414 177.584 0.056 0.000 1.368 81 A CA -0.518 51.578 52.037 0.098 0.000 1.045 81 A CB -0.453 18.570 19.000 0.039 0.000 1.129 81 A HN 0.597 nan 8.150 nan 0.000 0.540 82 F N 2.308 122.279 119.950 0.036 0.000 2.677 82 F HA 0.389 4.915 4.527 -0.000 0.000 0.358 82 F C 1.058 176.866 175.800 0.014 0.000 1.266 82 F CA 1.152 59.169 58.000 0.028 0.000 1.262 82 F CB -0.489 38.539 39.000 0.046 0.000 1.684 82 F HN 0.730 nan 8.300 nan 0.000 0.671 83 A N 0.847 123.714 122.820 0.078 0.000 2.592 83 A HA 0.359 4.679 4.320 -0.000 0.000 0.300 83 A C 0.547 178.121 177.584 -0.016 0.000 0.994 83 A CA -0.859 51.205 52.037 0.045 0.000 0.707 83 A CB 0.085 19.123 19.000 0.062 0.000 1.273 83 A HN 0.272 nan 8.150 nan 0.000 0.413 84 I N 1.159 121.712 120.570 -0.029 0.000 2.194 84 I HA -0.141 4.029 4.170 -0.000 0.000 0.246 84 I C 1.680 177.758 176.117 -0.066 0.000 1.093 84 I CA 2.052 63.308 61.300 -0.074 0.000 1.355 84 I CB -0.185 37.782 38.000 -0.055 0.000 1.046 84 I HN 0.752 nan 8.210 nan 0.000 0.413 85 G N -0.473 108.314 108.800 -0.022 0.000 2.434 85 G HA2 0.428 4.388 3.960 -0.000 0.000 0.330 85 G HA3 0.428 4.388 3.960 -0.000 0.000 0.330 85 G C 0.262 175.159 174.900 -0.004 0.000 1.155 85 G CA 0.025 45.117 45.100 -0.013 0.000 0.917 85 G HN 0.233 nan 8.290 nan 0.000 0.493 86 T N -1.882 112.666 114.554 -0.010 0.000 3.288 86 T HA 0.116 4.466 4.350 -0.000 0.000 0.293 86 T C 0.943 175.641 174.700 -0.003 0.000 1.008 86 T CA -0.436 61.660 62.100 -0.006 0.000 0.929 86 T CB -0.127 68.725 68.868 -0.027 0.000 1.152 86 T HN 0.389 nan 8.240 nan 0.000 0.517 87 N N 2.465 121.166 118.700 0.002 0.000 2.381 87 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 87 N C 2.113 177.610 175.510 -0.023 0.000 1.025 87 N CA 0.820 53.863 53.050 -0.012 0.000 0.888 87 N CB -0.139 38.343 38.487 -0.008 0.000 0.965 87 N HN 0.516 nan 8.380 nan 0.000 0.438 88 Q N 0.471 120.289 119.800 0.030 0.000 2.291 88 Q HA -0.019 4.321 4.340 -0.000 0.000 0.205 88 Q C 0.199 176.235 176.000 0.060 0.000 0.970 88 Q CA 0.823 56.686 55.803 0.100 0.000 0.876 88 Q CB -0.226 28.651 28.738 0.233 0.000 0.935 88 Q HN 0.177 nan 8.270 nan 0.000 0.455 89 V N 2.655 122.583 119.914 0.024 0.000 2.483 89 V HA 0.145 4.265 4.120 -0.000 0.000 0.295 89 V C -0.310 175.774 176.094 -0.018 0.000 1.035 89 V CA -0.832 61.473 62.300 0.008 0.000 0.896 89 V CB 1.735 33.559 31.823 0.003 0.000 0.986 89 V HN 0.073 nan 8.190 nan 0.000 0.447 90 D N 3.928 124.315 120.400 -0.021 0.000 2.455 90 D HA 0.180 4.820 4.640 -0.000 0.000 0.234 90 D C 1.253 177.533 176.300 -0.034 0.000 1.224 90 D CA 0.148 54.130 54.000 -0.030 0.000 0.999 90 D CB 0.548 41.331 40.800 -0.028 0.000 1.072 90 D HN 0.467 nan 8.370 nan 0.000 0.514 91 L N 1.980 123.181 121.223 -0.038 0.000 1.997 91 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 91 L C 1.711 178.556 176.870 -0.042 0.000 1.074 91 L CA 1.161 55.975 54.840 -0.043 0.000 0.763 91 L CB -0.371 41.661 42.059 -0.045 0.000 0.890 91 L HN 0.254 nan 8.230 nan 0.000 0.434 92 D N 0.385 120.759 120.400 -0.043 0.000 2.092 92 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 92 D C 2.265 178.538 176.300 -0.045 0.000 0.994 92 D CA 1.695 55.666 54.000 -0.048 0.000 0.828 92 D CB -0.213 40.562 40.800 -0.042 0.000 0.963 92 D HN 0.328 nan 8.370 nan 0.000 0.450 93 A N 0.933 123.730 122.820 -0.038 0.000 1.940 93 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 93 A C 2.289 179.853 177.584 -0.034 0.000 1.176 93 A CA 2.483 54.499 52.037 -0.035 0.000 0.631 93 A CB -0.718 18.263 19.000 -0.031 0.000 0.814 93 A HN 0.258 nan 8.150 nan 0.000 0.446 94 A N -0.265 122.536 122.820 -0.032 0.000 1.898 94 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 94 A C 2.506 180.092 177.584 0.004 0.000 1.181 94 A CA 1.886 53.908 52.037 -0.025 0.000 0.620 94 A CB -1.028 17.949 19.000 -0.038 0.000 0.819 94 A HN 1.094 nan 8.150 nan 0.000 0.442 95 A N -0.077 122.739 122.820 -0.007 0.000 1.978 95 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 95 A C 2.060 179.585 177.584 -0.098 0.000 1.170 95 A CA 1.878 53.884 52.037 -0.051 0.000 0.636 95 A CB -0.419 18.498 19.000 -0.139 0.000 0.810 95 A HN 0.561 nan 8.150 nan 0.000 0.448 96 K N -0.842 119.516 120.400 -0.071 0.000 2.217 96 K HA -0.000 4.320 4.320 -0.000 0.000 0.202 96 K C 1.526 178.099 176.600 -0.045 0.000 1.051 96 K CA 0.762 57.010 56.287 -0.065 0.000 0.952 96 K CB -0.015 32.454 32.500 -0.051 0.000 0.736 96 K HN 0.261 nan 8.250 nan 0.000 0.453 97 R N 0.104 120.588 120.500 -0.027 0.000 2.356 97 R HA 0.065 4.405 4.340 -0.000 0.000 0.234 97 R C 0.313 176.616 176.300 0.006 0.000 0.929 97 R CA 0.471 56.559 56.100 -0.020 0.000 1.084 97 R CB 0.581 30.864 30.300 -0.028 0.000 1.105 97 R HN 0.327 nan 8.270 nan 0.000 0.515 98 G N 2.207 111.028 108.800 0.035 0.000 2.295 98 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.287 98 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.287 98 G C 0.004 175.035 174.900 0.217 0.000 1.055 98 G CA 0.018 45.214 45.100 0.160 0.000 0.922 98 G HN 0.308 nan 8.290 nan 0.000 0.503 99 I N 1.160 121.838 120.570 0.181 0.000 2.382 99 I HA 0.300 4.470 4.170 -0.000 0.000 0.285 99 I C -2.161 173.816 176.117 -0.234 0.000 1.007 99 I CA -2.508 58.743 61.300 -0.082 0.000 1.142 99 I CB 2.299 40.247 38.000 -0.085 0.000 1.289 99 I HN -0.078 nan 8.210 nan 0.000 0.453 100 P HA 0.195 nan 4.420 nan 0.000 0.279 100 P C -0.602 176.212 177.300 -0.809 0.000 1.239 100 P CA -0.280 62.143 63.100 -1.127 0.000 0.789 100 P CB 1.625 32.183 31.700 -1.904 0.000 0.933 101 V N 4.583 124.118 119.914 -0.632 0.000 2.370 101 V HA 0.364 4.484 4.120 -0.000 0.000 0.283 101 V C 0.046 175.789 176.094 -0.585 0.000 1.023 101 V CA -0.241 61.778 62.300 -0.468 0.000 0.857 101 V CB 0.168 31.866 31.823 -0.209 0.000 0.985 101 V HN 0.353 nan 8.190 nan 0.000 0.443 102 F N 4.372 124.222 119.950 -0.167 0.000 2.497 102 F HA 0.716 5.242 4.527 -0.000 0.000 0.331 102 F C 0.563 176.262 175.800 -0.168 0.000 1.060 102 F CA -0.525 57.372 58.000 -0.173 0.000 0.989 102 F CB 1.579 40.458 39.000 -0.202 0.000 1.245 102 F HN 0.668 nan 8.300 nan 0.000 0.486 103 N N 0.193 118.918 118.700 0.042 0.000 3.522 103 N HA 0.657 5.397 4.740 -0.000 0.000 0.328 103 N C -1.963 173.476 175.510 -0.119 0.000 1.623 103 N CA -0.872 52.135 53.050 -0.071 0.000 0.812 103 N CB 1.270 39.714 38.487 -0.071 0.000 2.008 103 N HN 0.606 nan 8.380 nan 0.000 0.601 104 A N 0.115 122.851 122.820 -0.140 0.000 3.030 104 A HA 0.573 4.893 4.320 -0.000 0.000 0.335 104 A C -2.078 175.381 177.584 -0.210 0.000 1.089 104 A CA -1.281 50.665 52.037 -0.153 0.000 0.807 104 A CB 0.570 19.497 19.000 -0.123 0.000 1.099 104 A HN 0.498 nan 8.150 nan 0.000 0.474 105 P HA -0.172 nan 4.420 nan 0.000 0.216 105 P C 0.180 176.945 177.300 -0.892 0.000 1.167 105 P CA 1.785 64.458 63.100 -0.712 0.000 0.914 105 P CB 0.006 31.224 31.700 -0.803 0.000 0.793 106 F N -2.103 117.752 119.950 -0.159 0.000 2.597 106 F HA 0.217 4.744 4.527 -0.000 0.000 0.336 106 F C 0.967 176.678 175.800 -0.148 0.000 1.432 106 F CA -0.354 57.513 58.000 -0.221 0.000 1.120 106 F CB -0.065 38.624 39.000 -0.519 0.000 1.253 106 F HN -0.161 nan 8.300 nan 0.000 0.546 107 S N -1.185 114.514 115.700 -0.001 0.000 2.556 107 S HA 0.031 4.500 4.470 -0.000 0.000 0.216 107 S C 0.566 175.173 174.600 0.012 0.000 0.970 107 S CA -0.070 58.126 58.200 -0.007 0.000 0.912 107 S CB -0.409 62.770 63.200 -0.035 0.000 0.790 107 S HN 0.518 nan 8.310 nan 0.000 0.504 108 N N 0.607 119.326 118.700 0.033 0.000 2.628 108 N HA 0.092 4.831 4.740 -0.000 0.000 0.299 108 N C 0.584 176.126 175.510 0.053 0.000 1.834 108 N CA 0.184 53.258 53.050 0.039 0.000 0.871 108 N CB -0.046 38.467 38.487 0.043 0.000 1.377 108 N HN 0.180 nan 8.380 nan 0.000 0.493 109 T N -1.471 113.112 114.554 0.048 0.000 2.708 109 T HA -0.204 4.145 4.350 -0.000 0.000 0.266 109 T C 1.835 176.545 174.700 0.018 0.000 1.037 109 T CA 1.289 63.413 62.100 0.040 0.000 1.146 109 T CB -0.041 68.840 68.868 0.022 0.000 0.865 109 T HN 0.241 nan 8.240 nan 0.000 0.435 110 R N 0.864 121.370 120.500 0.009 0.000 2.075 110 R HA 0.074 4.414 4.340 -0.000 0.000 0.232 110 R C 2.727 179.037 176.300 0.016 0.000 1.126 110 R CA 1.708 57.810 56.100 0.003 0.000 0.963 110 R CB -0.911 29.387 30.300 -0.002 0.000 0.858 110 R HN 0.416 nan 8.270 nan 0.000 0.435 111 S N -0.570 115.145 115.700 0.026 0.000 2.359 111 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 111 S C 1.829 176.456 174.600 0.044 0.000 1.035 111 S CA 1.492 59.712 58.200 0.033 0.000 1.018 111 S CB -0.238 62.985 63.200 0.039 0.000 0.876 111 S HN 0.195 nan 8.310 nan 0.000 0.448 112 V N 1.933 121.882 119.914 0.058 0.000 2.343 112 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 112 V C 2.606 178.746 176.094 0.078 0.000 1.051 112 V CA 1.665 64.014 62.300 0.082 0.000 1.036 112 V CB -1.279 30.616 31.823 0.119 0.000 0.654 112 V HN 0.535 nan 8.190 nan 0.000 0.451 113 A N -0.497 122.347 122.820 0.041 0.000 1.892 113 A HA -0.303 4.016 4.320 -0.000 0.000 0.218 113 A C 2.242 179.839 177.584 0.022 0.000 1.188 113 A CA 2.226 54.270 52.037 0.010 0.000 0.631 113 A CB -0.575 18.405 19.000 -0.034 0.000 0.822 113 A HN 0.601 nan 8.150 nan 0.000 0.447 114 E N -1.004 119.207 120.200 0.019 0.000 2.077 114 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 114 E C 1.976 178.592 176.600 0.027 0.000 0.989 114 E CA 1.178 57.588 56.400 0.018 0.000 0.800 114 E CB -0.223 29.486 29.700 0.015 0.000 0.746 114 E HN 0.501 nan 8.360 nan 0.000 0.452 115 L N 0.600 121.845 121.223 0.035 0.000 1.989 115 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 115 L C 2.270 179.163 176.870 0.039 0.000 1.071 115 L CA 1.484 56.346 54.840 0.036 0.000 0.749 115 L CB -0.544 41.539 42.059 0.040 0.000 0.890 115 L HN -0.034 nan 8.230 nan 0.000 0.431 116 V N -0.066 119.882 119.914 0.057 0.000 2.324 116 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 116 V C 2.534 178.656 176.094 0.048 0.000 1.060 116 V CA 1.861 64.200 62.300 0.066 0.000 1.042 116 V CB -0.689 31.209 31.823 0.125 0.000 0.650 116 V HN 0.422 nan 8.190 nan 0.000 0.450 117 I N 0.803 121.395 120.570 0.037 0.000 2.226 117 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 117 I C 2.564 178.695 176.117 0.024 0.000 1.100 117 I CA 2.044 63.359 61.300 0.026 0.000 1.374 117 I CB -1.787 36.222 38.000 0.016 0.000 1.057 117 I HN 0.404 nan 8.210 nan 0.000 0.413 118 G N 0.347 109.160 108.800 0.023 0.000 2.402 118 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 118 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 118 G C 1.524 176.437 174.900 0.021 0.000 1.162 118 G CA 0.242 45.354 45.100 0.020 0.000 0.777 118 G HN 0.432 nan 8.290 nan 0.000 0.539 119 E N 0.466 120.680 120.200 0.023 0.000 2.038 119 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 119 E C 2.539 179.154 176.600 0.025 0.000 1.000 119 E CA 1.424 57.837 56.400 0.022 0.000 0.803 119 E CB -0.350 29.361 29.700 0.019 0.000 0.750 119 E HN 0.549 nan 8.360 nan 0.000 0.448 120 L N -0.440 120.800 121.223 0.029 0.000 2.141 120 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 120 L C 2.162 179.053 176.870 0.034 0.000 1.094 120 L CA 1.363 56.223 54.840 0.033 0.000 0.763 120 L CB -0.543 41.539 42.059 0.039 0.000 0.908 120 L HN 0.006 nan 8.230 nan 0.000 0.437 121 L N -0.639 120.601 121.223 0.028 0.000 1.989 121 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 121 L C 2.535 179.420 176.870 0.025 0.000 1.071 121 L CA 1.116 55.972 54.840 0.026 0.000 0.749 121 L CB -0.591 41.480 42.059 0.019 0.000 0.890 121 L HN 0.334 nan 8.230 nan 0.000 0.431 122 L N -0.958 120.277 121.223 0.020 0.000 2.179 122 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 122 L C 2.265 179.146 176.870 0.018 0.000 1.096 122 L CA 1.378 56.227 54.840 0.016 0.000 0.779 122 L CB -0.543 41.525 42.059 0.014 0.000 0.922 122 L HN 0.135 nan 8.230 nan 0.000 0.443 123 L N -1.860 119.378 121.223 0.025 0.000 2.072 123 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 123 L C 2.296 179.190 176.870 0.040 0.000 1.079 123 L CA 0.397 55.253 54.840 0.027 0.000 0.752 123 L CB -0.419 41.654 42.059 0.024 0.000 0.906 123 L HN 0.187 nan 8.230 nan 0.000 0.436 124 L N -0.116 121.141 121.223 0.056 0.000 2.129 124 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 124 L C 2.384 179.296 176.870 0.071 0.000 1.087 124 L CA 1.688 56.586 54.840 0.097 0.000 0.757 124 L CB -0.794 41.330 42.059 0.108 0.000 0.896 124 L HN 0.195 nan 8.230 nan 0.000 0.434 125 R N -0.667 119.849 120.500 0.026 0.000 2.317 125 R HA 0.231 4.571 4.340 -0.000 0.000 0.208 125 R C 1.273 177.550 176.300 -0.038 0.000 0.914 125 R CA 0.673 56.763 56.100 -0.017 0.000 1.060 125 R CB -0.479 29.810 30.300 -0.018 0.000 1.015 125 R HN 0.401 nan 8.270 nan 0.000 0.498 126 G N 0.770 109.560 108.800 -0.016 0.000 2.187 126 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 126 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 126 G C 0.962 175.847 174.900 -0.024 0.000 1.000 126 G CA 0.581 45.669 45.100 -0.021 0.000 0.718 126 G HN 0.248 nan 8.290 nan 0.000 0.519 127 V N 0.808 120.711 119.914 -0.018 0.000 2.358 127 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 127 V C 0.928 177.020 176.094 -0.004 0.000 1.047 127 V CA 2.561 64.848 62.300 -0.022 0.000 1.035 127 V CB -0.776 31.038 31.823 -0.015 0.000 0.658 127 V HN 0.390 nan 8.190 nan 0.000 0.452 128 P HA -0.206 nan 4.420 nan 0.000 0.216 128 P C 1.637 178.958 177.300 0.034 0.000 1.153 128 P CA 1.661 64.778 63.100 0.028 0.000 0.858 128 P CB 0.131 31.852 31.700 0.034 0.000 0.789 129 E N -0.443 119.773 120.200 0.027 0.000 2.015 129 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 129 E C 2.053 178.660 176.600 0.012 0.000 0.991 129 E CA 1.243 57.660 56.400 0.029 0.000 0.802 129 E CB -0.707 29.007 29.700 0.023 0.000 0.759 129 E HN 0.027 nan 8.360 nan 0.000 0.447 130 A N 1.008 123.814 122.820 -0.023 0.000 1.917 130 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 130 A C 2.003 179.569 177.584 -0.030 0.000 1.182 130 A CA 2.093 54.092 52.037 -0.064 0.000 0.633 130 A CB -1.077 17.848 19.000 -0.124 0.000 0.819 130 A HN 0.425 nan 8.150 nan 0.000 0.448 131 N N 0.042 118.750 118.700 0.014 0.000 2.120 131 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 131 N C 1.735 177.367 175.510 0.204 0.000 1.024 131 N CA 1.994 55.102 53.050 0.097 0.000 0.852 131 N CB -0.373 38.179 38.487 0.108 0.000 1.003 131 N HN 0.370 nan 8.380 nan 0.000 0.424 132 A N 0.832 123.726 122.820 0.123 0.000 1.865 132 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 132 A C 2.097 179.758 177.584 0.128 0.000 1.191 132 A CA 1.578 53.686 52.037 0.119 0.000 0.623 132 A CB -0.549 18.494 19.000 0.071 0.000 0.826 132 A HN 0.374 nan 8.150 nan 0.000 0.444 133 K N -0.409 120.037 120.400 0.077 0.000 2.057 133 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 133 K C 2.299 178.939 176.600 0.066 0.000 1.049 133 K CA 1.149 57.472 56.287 0.060 0.000 0.931 133 K CB -0.399 32.118 32.500 0.028 0.000 0.714 133 K HN 0.441 nan 8.250 nan 0.000 0.440 134 A N 1.249 124.093 122.820 0.040 0.000 1.978 134 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 134 A C 1.457 179.014 177.584 -0.045 0.000 1.170 134 A CA 1.446 53.481 52.037 -0.002 0.000 0.636 134 A CB -0.733 18.221 19.000 -0.076 0.000 0.810 134 A HN 0.345 nan 8.150 nan 0.000 0.448 135 H N -0.991 118.102 119.070 0.038 0.000 2.563 135 H HA 0.131 4.686 4.556 -0.000 0.000 0.272 135 H C 1.503 176.854 175.328 0.038 0.000 1.005 135 H CA 0.786 56.856 56.048 0.038 0.000 1.171 135 H CB 0.122 29.901 29.762 0.029 0.000 1.351 135 H HN 0.447 nan 8.280 nan 0.000 0.602 136 R N -1.023 119.548 120.500 0.118 0.000 2.508 136 R HA 0.232 4.572 4.340 -0.000 0.000 0.300 136 R C 0.751 177.091 176.300 0.067 0.000 0.970 136 R CA 0.514 56.665 56.100 0.086 0.000 1.102 136 R CB 1.213 31.558 30.300 0.075 0.000 1.246 136 R HN 0.362 nan 8.270 nan 0.000 0.539 137 G N 0.886 109.726 108.800 0.067 0.000 2.194 137 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 137 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 137 G C 0.098 175.057 174.900 0.097 0.000 0.987 137 G CA -0.141 45.000 45.100 0.068 0.000 0.635 137 G HN 0.105 nan 8.290 nan 0.000 0.520 138 V N 1.688 121.664 119.914 0.104 0.000 2.407 138 V HA 0.547 4.667 4.120 -0.000 0.000 0.278 138 V C 0.251 176.456 176.094 0.185 0.000 1.037 138 V CA -0.765 61.611 62.300 0.126 0.000 0.900 138 V CB 1.562 33.435 31.823 0.083 0.000 0.983 138 V HN 0.313 nan 8.190 nan 0.000 0.459 139 W N 5.640 126.937 121.300 -0.004 0.000 2.349 139 W HA 0.452 5.112 4.660 -0.000 0.000 0.309 139 W C -0.624 175.894 176.519 -0.002 0.000 1.083 139 W CA -0.569 56.772 57.345 -0.007 0.000 1.224 139 W CB 1.428 30.882 29.460 -0.010 0.000 1.256 139 W HN 0.552 nan 8.180 nan 0.000 0.461 140 N N 5.016 123.547 118.700 -0.283 0.000 2.746 140 N HA 0.102 4.842 4.740 -0.000 0.000 0.250 140 N C -1.095 174.243 175.510 -0.286 0.000 1.146 140 N CA -0.235 52.700 53.050 -0.192 0.000 0.828 140 N CB 0.899 39.326 38.487 -0.099 0.000 1.158 140 N HN 0.322 nan 8.380 nan 0.000 0.519 141 K N 3.474 123.737 120.400 -0.229 0.000 2.300 141 K HA 0.373 4.693 4.320 -0.000 0.000 0.264 141 K C -1.189 175.364 176.600 -0.078 0.000 1.083 141 K CA -0.374 55.801 56.287 -0.187 0.000 0.958 141 K CB 0.196 32.659 32.500 -0.060 0.000 1.318 141 K HN 0.200 nan 8.250 nan 0.000 0.448 142 L N 2.361 123.525 121.223 -0.097 0.000 2.309 142 L HA 0.590 4.930 4.340 -0.000 0.000 0.261 142 L C 0.327 177.142 176.870 -0.092 0.000 1.021 142 L CA -0.310 54.485 54.840 -0.075 0.000 0.823 142 L CB 1.888 43.901 42.059 -0.077 0.000 1.366 142 L HN 0.672 nan 8.230 nan 0.000 0.423 143 A N 0.090 122.855 122.820 -0.093 0.000 2.551 143 A HA 0.562 4.882 4.320 -0.000 0.000 0.252 143 A C 1.552 179.025 177.584 -0.186 0.000 1.199 143 A CA 0.664 52.625 52.037 -0.127 0.000 0.972 143 A CB -0.076 18.871 19.000 -0.089 0.000 1.153 143 A HN 0.696 nan 8.150 nan 0.000 0.559 144 A N -0.105 122.627 122.820 -0.146 0.000 1.969 144 A HA 0.268 4.587 4.320 -0.000 0.000 0.218 144 A C 1.808 179.270 177.584 -0.203 0.000 1.169 144 A CA 1.736 53.695 52.037 -0.129 0.000 0.635 144 A CB -0.496 18.466 19.000 -0.062 0.000 0.810 144 A HN 0.945 nan 8.150 nan 0.000 0.445 145 G N -0.957 107.686 108.800 -0.262 0.000 3.774 145 G HA2 0.425 4.385 3.960 -0.000 0.000 0.287 145 G HA3 0.425 4.385 3.960 -0.000 0.000 0.287 145 G C -0.114 174.371 174.900 -0.691 0.000 1.030 145 G CA 0.194 45.091 45.100 -0.339 0.000 0.824 145 G HN 0.262 nan 8.290 nan 0.000 0.518 146 S N 0.265 115.504 115.700 -0.767 0.000 2.508 146 S HA 0.789 5.259 4.470 -0.000 0.000 0.284 146 S C -1.099 172.994 174.600 -0.845 0.000 1.192 146 S CA -0.245 57.583 58.200 -0.619 0.000 1.070 146 S CB 1.083 64.106 63.200 -0.294 0.000 1.004 146 S HN 0.185 nan 8.310 nan 0.000 0.493 147 F N 0.517 120.465 119.950 -0.003 0.000 2.613 147 F HA 0.426 4.953 4.527 -0.000 0.000 0.314 147 F C 0.455 176.253 175.800 -0.002 0.000 1.075 147 F CA -1.101 56.900 58.000 -0.000 0.000 0.945 147 F CB 1.270 40.272 39.000 0.004 0.000 1.310 147 F HN 0.438 nan 8.300 nan 0.000 0.467 148 E N 0.156 120.477 120.200 0.202 0.000 2.314 148 E HA 0.528 4.877 4.350 -0.000 0.000 0.262 148 E C 0.271 176.926 176.600 0.092 0.000 1.093 148 E CA -0.233 56.229 56.400 0.103 0.000 0.908 148 E CB 1.391 31.131 29.700 0.068 0.000 1.091 148 E HN 0.711 nan 8.360 nan 0.000 0.425 149 A N 2.249 125.097 122.820 0.046 0.000 1.898 149 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 149 A C 1.315 178.889 177.584 -0.017 0.000 1.183 149 A CA 0.447 52.497 52.037 0.022 0.000 0.622 149 A CB -0.156 18.850 19.000 0.011 0.000 0.824 149 A HN 0.575 nan 8.150 nan 0.000 0.444 150 R N -0.274 120.209 120.500 -0.028 0.000 2.537 150 R HA 0.234 4.574 4.340 -0.000 0.000 0.281 150 R C 1.096 177.348 176.300 -0.081 0.000 0.988 150 R CA 1.113 57.168 56.100 -0.074 0.000 1.077 150 R CB -0.221 30.049 30.300 -0.050 0.000 0.932 150 R HN 0.898 nan 8.270 nan 0.000 0.409 151 G N 2.791 111.478 108.800 -0.189 0.000 2.175 151 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 151 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 151 G C -0.293 174.606 174.900 -0.001 0.000 0.982 151 G CA 0.113 45.139 45.100 -0.123 0.000 0.641 151 G HN 0.517 nan 8.290 nan 0.000 0.527 152 K N 0.661 121.041 120.400 -0.033 0.000 2.095 152 K HA 0.508 4.828 4.320 -0.000 0.000 0.252 152 K C 0.322 176.996 176.600 0.124 0.000 0.977 152 K CA -0.574 55.739 56.287 0.043 0.000 0.900 152 K CB 0.981 33.483 32.500 0.003 0.000 1.060 152 K HN 0.253 nan 8.250 nan 0.000 0.449 153 K N 1.970 122.478 120.400 0.179 0.000 2.248 153 K HA 0.241 4.561 4.320 -0.000 0.000 0.281 153 K C -0.080 176.634 176.600 0.191 0.000 1.054 153 K CA -0.825 55.626 56.287 0.273 0.000 0.903 153 K CB 0.739 33.420 32.500 0.301 0.000 1.077 153 K HN 0.313 nan 8.250 nan 0.000 0.474 154 L N 1.643 122.981 121.223 0.193 0.000 2.264 154 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 154 L C 0.034 177.037 176.870 0.221 0.000 1.044 154 L CA 0.144 55.080 54.840 0.160 0.000 0.807 154 L CB 1.199 43.328 42.059 0.115 0.000 1.192 154 L HN 0.713 nan 8.230 nan 0.000 0.425 155 G N 6.787 115.703 108.800 0.193 0.000 2.393 155 G HA2 0.461 4.421 3.960 -0.000 0.000 0.311 155 G HA3 0.461 4.421 3.960 -0.000 0.000 0.311 155 G C -0.380 174.654 174.900 0.224 0.000 1.067 155 G CA -0.468 44.762 45.100 0.216 0.000 1.000 155 G HN 0.647 nan 8.290 nan 0.000 0.422 156 I N 3.458 124.199 120.570 0.285 0.000 2.312 156 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 156 I C 0.117 176.434 176.117 0.334 0.000 1.031 156 I CA -0.395 61.081 61.300 0.294 0.000 1.293 156 I CB 1.351 39.520 38.000 0.282 0.000 1.403 156 I HN 0.257 nan 8.210 nan 0.000 0.484 157 I N 6.426 127.176 120.570 0.299 0.000 2.291 157 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 157 I C 0.649 176.926 176.117 0.266 0.000 1.064 157 I CA -0.240 61.244 61.300 0.305 0.000 1.269 157 I CB 0.677 38.825 38.000 0.248 0.000 1.418 157 I HN 0.868 nan 8.210 nan 0.000 0.485 158 G N 5.163 114.105 108.800 0.235 0.000 2.860 158 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.547 158 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.547 158 G C -0.859 174.084 174.900 0.070 0.000 1.103 158 G CA -0.790 44.398 45.100 0.145 0.000 1.126 158 G HN 0.670 nan 8.290 nan 0.000 0.490 159 Y N 2.938 123.135 120.300 -0.172 0.000 2.826 159 Y HA 0.504 5.054 4.550 -0.000 0.000 0.371 159 Y C 1.153 176.834 175.900 -0.365 0.000 1.252 159 Y CA 0.524 58.368 58.100 -0.427 0.000 1.813 159 Y CB -0.145 37.669 38.460 -1.078 0.000 1.913 159 Y HN 0.665 nan 8.280 nan 0.000 0.447 160 G N 0.124 108.707 108.800 -0.361 0.000 3.019 160 G HA2 0.040 4.000 3.960 -0.000 0.000 0.152 160 G HA3 0.040 4.000 3.960 -0.000 0.000 0.152 160 G C 0.317 174.930 174.900 -0.478 0.000 1.320 160 G CA -0.255 44.624 45.100 -0.369 0.000 1.013 160 G HN 0.550 nan 8.290 nan 0.000 0.593 161 H N -0.864 118.003 119.070 -0.338 0.000 2.290 161 H HA -0.017 4.539 4.556 -0.000 0.000 0.298 161 H C 2.529 177.686 175.328 -0.285 0.000 1.087 161 H CA 1.979 57.820 56.048 -0.345 0.000 1.291 161 H CB 0.016 29.541 29.762 -0.396 0.000 1.369 161 H HN 0.214 nan 8.280 nan 0.000 0.492 162 I N -0.426 120.092 120.570 -0.086 0.000 2.333 162 I HA -0.112 4.058 4.170 -0.000 0.000 0.246 162 I C 2.732 178.615 176.117 -0.391 0.000 1.106 162 I CA 0.925 62.134 61.300 -0.151 0.000 1.411 162 I CB -0.338 37.659 38.000 -0.004 0.000 1.082 162 I HN 0.355 nan 8.210 nan 0.000 0.420 163 G N 0.181 108.696 108.800 -0.474 0.000 2.440 163 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 163 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 163 G C 1.659 176.183 174.900 -0.625 0.000 1.154 163 G CA 1.588 46.351 45.100 -0.562 0.000 0.767 163 G HN 0.259 nan 8.290 nan 0.000 0.552 164 T N 0.443 114.465 114.554 -0.887 0.000 2.652 164 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 164 T C 2.385 176.812 174.700 -0.454 0.000 1.039 164 T CA 1.894 63.382 62.100 -1.020 0.000 1.153 164 T CB -0.204 68.129 68.868 -0.892 0.000 0.863 164 T HN 0.481 nan 8.240 nan 0.000 0.428 165 Q N 0.635 120.237 119.800 -0.330 0.000 2.123 165 Q HA -0.001 4.339 4.340 -0.000 0.000 0.199 165 Q C 2.140 178.052 176.000 -0.148 0.000 0.966 165 Q CA 1.112 56.803 55.803 -0.188 0.000 0.845 165 Q CB -0.687 27.971 28.738 -0.133 0.000 0.907 165 Q HN 0.406 nan 8.270 nan 0.000 0.439 166 L N 0.301 121.413 121.223 -0.185 0.000 2.081 166 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 166 L C 2.081 178.905 176.870 -0.078 0.000 1.080 166 L CA 2.510 57.271 54.840 -0.132 0.000 0.754 166 L CB -1.120 40.820 42.059 -0.198 0.000 0.893 166 L HN 0.373 nan 8.230 nan 0.000 0.433 167 G N -0.550 108.200 108.800 -0.083 0.000 2.408 167 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.217 167 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.217 167 G C 1.621 176.529 174.900 0.014 0.000 1.150 167 G CA 1.021 46.136 45.100 0.025 0.000 0.776 167 G HN 0.482 nan 8.290 nan 0.000 0.542 168 I N 0.233 120.791 120.570 -0.019 0.000 2.252 168 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 168 I C 2.718 178.824 176.117 -0.018 0.000 1.102 168 I CA 0.632 61.923 61.300 -0.015 0.000 1.385 168 I CB -0.227 37.754 38.000 -0.032 0.000 1.064 168 I HN 0.136 nan 8.210 nan 0.000 0.414 169 L N 0.636 121.844 121.223 -0.026 0.000 2.017 169 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 169 L C 2.903 179.763 176.870 -0.017 0.000 1.073 169 L CA 1.480 56.308 54.840 -0.020 0.000 0.745 169 L CB -0.753 41.294 42.059 -0.020 0.000 0.894 169 L HN 0.235 nan 8.230 nan 0.000 0.432 170 A N -0.434 122.378 122.820 -0.012 0.000 1.940 170 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 170 A C 2.230 179.797 177.584 -0.029 0.000 1.176 170 A CA 2.128 54.158 52.037 -0.011 0.000 0.631 170 A CB -0.501 18.503 19.000 0.007 0.000 0.814 170 A HN 0.498 nan 8.150 nan 0.000 0.446 171 E N 0.093 120.279 120.200 -0.023 0.000 2.046 171 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 171 E C 1.914 178.489 176.600 -0.042 0.000 0.982 171 E CA 1.077 57.455 56.400 -0.036 0.000 0.800 171 E CB -0.092 29.601 29.700 -0.012 0.000 0.756 171 E HN 0.698 nan 8.360 nan 0.000 0.449 172 S N 0.011 115.695 115.700 -0.028 0.000 2.723 172 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 172 S C 1.370 175.952 174.600 -0.031 0.000 0.967 172 S CA 0.272 58.457 58.200 -0.026 0.000 0.958 172 S CB 0.050 63.239 63.200 -0.018 0.000 0.778 172 S HN 0.339 nan 8.310 nan 0.000 0.537 173 L N -0.335 120.863 121.223 -0.041 0.000 3.086 173 L HA 0.382 4.722 4.340 -0.000 0.000 0.274 173 L C 1.207 178.035 176.870 -0.071 0.000 1.184 173 L CA 0.496 55.311 54.840 -0.042 0.000 1.002 173 L CB 0.290 42.329 42.059 -0.032 0.000 1.383 173 L HN 0.553 nan 8.230 nan 0.000 0.582 174 G N 1.109 109.847 108.800 -0.103 0.000 2.132 174 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.228 174 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.228 174 G C 0.086 174.815 174.900 -0.285 0.000 1.000 174 G CA 0.267 45.261 45.100 -0.177 0.000 0.693 174 G HN 0.264 nan 8.290 nan 0.000 0.515 175 M N -0.575 118.895 119.600 -0.215 0.000 2.359 175 M HA 0.605 5.084 4.480 -0.000 0.000 0.322 175 M C 0.028 176.155 176.300 -0.288 0.000 1.166 175 M CA -0.863 54.295 55.300 -0.237 0.000 1.067 175 M CB 0.856 33.410 32.600 -0.077 0.000 1.523 175 M HN 0.058 nan 8.290 nan 0.000 0.467 176 Y N 0.451 120.745 120.300 -0.011 0.000 2.313 176 Y HA 0.401 4.951 4.550 -0.000 0.000 0.332 176 Y C -0.097 175.700 175.900 -0.171 0.000 1.071 176 Y CA -0.776 57.266 58.100 -0.096 0.000 1.169 176 Y CB 0.751 39.202 38.460 -0.016 0.000 1.192 176 Y HN 0.242 nan 8.280 nan 0.000 0.487 177 V N 5.482 125.300 119.914 -0.160 0.000 2.347 177 V HA 0.332 4.452 4.120 -0.000 0.000 0.280 177 V C -1.008 174.880 176.094 -0.343 0.000 1.021 177 V CA -1.020 61.212 62.300 -0.114 0.000 0.847 177 V CB 0.207 32.044 31.823 0.023 0.000 0.990 177 V HN 0.552 nan 8.190 nan 0.000 0.444 178 Y N 5.387 125.770 120.300 0.138 0.000 2.393 178 Y HA 0.739 5.289 4.550 -0.000 0.000 0.341 178 Y C -0.149 175.859 175.900 0.180 0.000 0.988 178 Y CA -1.059 57.081 58.100 0.066 0.000 1.078 178 Y CB 1.897 40.368 38.460 0.018 0.000 1.203 178 Y HN 0.663 nan 8.280 nan 0.000 0.453 179 F N 0.881 120.919 119.950 0.146 0.000 2.576 179 F HA 0.687 5.214 4.527 -0.000 0.000 0.313 179 F C -1.907 173.984 175.800 0.152 0.000 1.078 179 F CA -1.756 56.323 58.000 0.131 0.000 0.921 179 F CB 1.429 40.465 39.000 0.059 0.000 1.232 179 F HN 0.417 nan 8.300 nan 0.000 0.459 180 Y N 2.687 123.168 120.300 0.302 0.000 2.328 180 Y HA 0.587 5.137 4.550 -0.000 0.000 0.333 180 Y C -1.647 174.401 175.900 0.248 0.000 0.958 180 Y CA -0.657 57.552 58.100 0.182 0.000 1.167 180 Y CB 0.995 39.519 38.460 0.106 0.000 1.151 180 Y HN 0.861 nan 8.280 nan 0.000 0.470 181 D N 4.751 124.927 120.400 -0.372 0.000 2.732 181 D HA 0.175 4.815 4.640 -0.000 0.000 0.229 181 D C 0.557 176.596 176.300 -0.435 0.000 1.152 181 D CA -0.550 53.286 54.000 -0.274 0.000 0.854 181 D CB 1.535 42.374 40.800 0.066 0.000 1.590 181 D HN 0.668 nan 8.370 nan 0.000 0.468 182 I N -0.235 120.158 120.570 -0.295 0.000 3.001 182 I HA 0.186 4.356 4.170 -0.000 0.000 0.268 182 I C 0.490 176.541 176.117 -0.109 0.000 1.267 182 I CA 0.531 61.712 61.300 -0.198 0.000 1.472 182 I CB 0.045 37.993 38.000 -0.086 0.000 1.089 182 I HN 0.244 nan 8.210 nan 0.000 0.468 183 E N 2.206 122.359 120.200 -0.078 0.000 2.210 183 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 183 E C -0.628 175.965 176.600 -0.011 0.000 0.883 183 E CA -0.826 55.551 56.400 -0.037 0.000 0.761 183 E CB 0.898 30.585 29.700 -0.022 0.000 1.156 183 E HN 0.227 nan 8.360 nan 0.000 0.412 184 N N 4.477 123.171 118.700 -0.010 0.000 2.374 184 N HA -0.039 4.701 4.740 -0.000 0.000 0.269 184 N C -1.004 174.531 175.510 0.042 0.000 1.310 184 N CA 0.740 53.797 53.050 0.011 0.000 0.877 184 N CB 0.418 38.902 38.487 -0.005 0.000 1.096 184 N HN 0.397 nan 8.380 nan 0.000 0.484 185 K N 3.010 123.473 120.400 0.105 0.000 2.328 185 K HA 0.308 4.628 4.320 -0.000 0.000 0.246 185 K C -0.293 176.381 176.600 0.124 0.000 0.955 185 K CA -0.872 55.481 56.287 0.110 0.000 0.817 185 K CB 2.180 34.758 32.500 0.129 0.000 1.208 185 K HN 0.482 nan 8.250 nan 0.000 0.432 186 L N 4.178 125.453 121.223 0.086 0.000 2.278 186 L HA 0.277 4.617 4.340 -0.000 0.000 0.287 186 L C -2.019 174.918 176.870 0.112 0.000 1.072 186 L CA -1.329 53.559 54.840 0.079 0.000 0.819 186 L CB 0.613 42.698 42.059 0.044 0.000 1.176 186 L HN 0.325 nan 8.230 nan 0.000 0.435 187 P HA 0.080 nan 4.420 nan 0.000 0.265 187 P C -0.765 176.612 177.300 0.128 0.000 1.193 187 P CA 0.031 63.200 63.100 0.116 0.000 0.765 187 P CB 0.915 32.672 31.700 0.096 0.000 0.823 188 L N 1.711 123.056 121.223 0.203 0.000 2.399 188 L HA 0.476 4.816 4.340 -0.000 0.000 0.265 188 L C 1.715 178.645 176.870 0.101 0.000 1.089 188 L CA 0.291 55.208 54.840 0.129 0.000 0.802 188 L CB 0.530 42.654 42.059 0.107 0.000 1.180 188 L HN 0.757 nan 8.230 nan 0.000 0.454 189 G N 1.826 110.660 108.800 0.056 0.000 2.652 189 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.318 189 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.318 189 G C 0.388 175.308 174.900 0.032 0.000 1.295 189 G CA 0.808 45.931 45.100 0.038 0.000 0.999 189 G HN 0.748 nan 8.290 nan 0.000 0.548 190 N N 1.889 120.602 118.700 0.023 0.000 2.279 190 N HA 0.550 5.289 4.740 -0.000 0.000 0.226 190 N C 0.707 176.199 175.510 -0.030 0.000 1.126 190 N CA 0.791 53.843 53.050 0.003 0.000 0.846 190 N CB 0.543 39.038 38.487 0.013 0.000 1.050 190 N HN 0.907 nan 8.380 nan 0.000 0.502 191 A N 0.081 122.906 122.820 0.009 0.000 2.483 191 A HA 0.430 4.750 4.320 -0.000 0.000 0.238 191 A C 0.177 177.711 177.584 -0.083 0.000 1.070 191 A CA 0.271 52.311 52.037 0.004 0.000 0.770 191 A CB 0.195 19.292 19.000 0.163 0.000 1.008 191 A HN 0.188 nan 8.150 nan 0.000 0.497 192 T N 2.158 116.578 114.554 -0.222 0.000 2.890 192 T HA 0.378 4.728 4.350 -0.000 0.000 0.295 192 T C -0.339 173.982 174.700 -0.631 0.000 0.993 192 T CA -0.365 61.558 62.100 -0.296 0.000 0.979 192 T CB 1.173 69.976 68.868 -0.108 0.000 0.967 192 T HN 0.749 nan 8.240 nan 0.000 0.441 193 Q N 2.779 121.996 119.800 -0.973 0.000 2.313 193 Q HA 0.440 4.779 4.340 -0.000 0.000 0.266 193 Q C -0.943 174.786 176.000 -0.452 0.000 0.989 193 Q CA -0.289 54.778 55.803 -1.227 0.000 0.890 193 Q CB 0.561 28.687 28.738 -1.021 0.000 1.200 193 Q HN 0.480 nan 8.270 nan 0.000 0.396 194 V N 4.907 124.652 119.914 -0.281 0.000 2.435 194 V HA 0.067 4.187 4.120 -0.000 0.000 0.290 194 V C 0.540 176.664 176.094 0.051 0.000 1.030 194 V CA -0.636 61.631 62.300 -0.055 0.000 0.881 194 V CB 1.607 33.440 31.823 0.017 0.000 0.983 194 V HN 0.896 nan 8.190 nan 0.000 0.445 195 Q N 1.677 121.502 119.800 0.042 0.000 2.049 195 Q HA 0.022 4.362 4.340 -0.000 0.000 0.198 195 Q C 0.635 176.656 176.000 0.035 0.000 0.971 195 Q CA 1.399 57.200 55.803 -0.003 0.000 0.833 195 Q CB -0.013 28.673 28.738 -0.086 0.000 0.896 195 Q HN 0.707 nan 8.270 nan 0.000 0.434 196 H N 0.909 120.044 119.070 0.109 0.000 2.597 196 H HA 0.111 4.667 4.556 -0.000 0.000 0.303 196 H C 1.190 176.420 175.328 -0.163 0.000 1.057 196 H CA -0.273 55.787 56.048 0.020 0.000 1.261 196 H CB 1.367 31.111 29.762 -0.030 0.000 1.397 196 H HN 0.104 nan 8.280 nan 0.000 0.461 197 L N 2.962 123.892 121.223 -0.488 0.000 2.089 197 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 197 L C 2.119 178.802 176.870 -0.311 0.000 1.079 197 L CA 1.870 56.193 54.840 -0.861 0.000 0.758 197 L CB -0.163 41.209 42.059 -1.145 0.000 0.891 197 L HN 0.553 nan 8.230 nan 0.000 0.433 198 S N -1.424 114.186 115.700 -0.151 0.000 2.399 198 S HA -0.188 4.281 4.470 -0.000 0.000 0.231 198 S C 1.518 176.071 174.600 -0.079 0.000 1.022 198 S CA 1.161 59.306 58.200 -0.092 0.000 0.983 198 S CB -0.383 62.781 63.200 -0.059 0.000 0.803 198 S HN 0.476 nan 8.310 nan 0.000 0.480 199 D N 1.711 122.077 120.400 -0.058 0.000 2.084 199 D HA -0.001 4.639 4.640 -0.000 0.000 0.196 199 D C 1.993 178.237 176.300 -0.093 0.000 0.985 199 D CA 0.991 54.947 54.000 -0.074 0.000 0.826 199 D CB -0.539 40.229 40.800 -0.053 0.000 0.978 199 D HN 0.327 nan 8.370 nan 0.000 0.456 200 L N 0.987 122.163 121.223 -0.077 0.000 1.978 200 L HA -0.245 4.095 4.340 -0.000 0.000 0.218 200 L C 2.531 179.371 176.870 -0.049 0.000 1.075 200 L CA 1.391 56.198 54.840 -0.056 0.000 0.767 200 L CB -0.368 41.700 42.059 0.014 0.000 0.890 200 L HN 0.037 nan 8.230 nan 0.000 0.434 201 L N -0.512 120.678 121.223 -0.056 0.000 2.013 201 L HA -0.306 4.034 4.340 -0.000 0.000 0.212 201 L C 2.352 179.201 176.870 -0.035 0.000 1.073 201 L CA 2.002 56.820 54.840 -0.037 0.000 0.753 201 L CB -0.864 41.170 42.059 -0.041 0.000 0.890 201 L HN 0.454 nan 8.230 nan 0.000 0.432 202 N N 0.144 118.814 118.700 -0.050 0.000 2.244 202 N HA -0.196 4.544 4.740 -0.000 0.000 0.183 202 N C 1.876 177.352 175.510 -0.057 0.000 1.016 202 N CA 1.392 54.416 53.050 -0.044 0.000 0.866 202 N CB -0.012 38.443 38.487 -0.054 0.000 0.980 202 N HN 0.426 nan 8.380 nan 0.000 0.430 203 M N -1.933 117.616 119.600 -0.084 0.000 2.299 203 M HA 0.235 4.715 4.480 -0.000 0.000 0.264 203 M C 0.629 176.888 176.300 -0.069 0.000 1.095 203 M CA 0.418 55.653 55.300 -0.109 0.000 1.165 203 M CB -0.241 32.236 32.600 -0.206 0.000 1.349 203 M HN -0.233 nan 8.290 nan 0.000 0.446 204 S N 1.966 117.643 115.700 -0.039 0.000 2.563 204 S HA -0.014 4.456 4.470 -0.000 0.000 0.284 204 S C 0.370 174.971 174.600 0.002 0.000 1.331 204 S CA -0.274 57.938 58.200 0.020 0.000 1.047 204 S CB 0.656 63.888 63.200 0.053 0.000 0.859 204 S HN 0.402 nan 8.310 nan 0.000 0.514 205 D N 0.436 120.847 120.400 0.017 0.000 2.380 205 D HA 0.163 4.803 4.640 -0.000 0.000 0.212 205 D C -0.263 176.037 176.300 0.001 0.000 1.021 205 D CA 0.724 54.714 54.000 -0.017 0.000 0.884 205 D CB 0.598 41.379 40.800 -0.031 0.000 1.001 205 D HN 0.229 nan 8.370 nan 0.000 0.506 206 V N 1.410 121.344 119.914 0.033 0.000 2.686 206 V HA 0.327 4.446 4.120 -0.000 0.000 0.306 206 V C -0.385 175.745 176.094 0.061 0.000 1.065 206 V CA -0.799 61.524 62.300 0.039 0.000 0.894 206 V CB 2.752 34.605 31.823 0.049 0.000 1.004 206 V HN -0.284 nan 8.190 nan 0.000 0.424 207 V N 3.025 122.968 119.914 0.048 0.000 2.448 207 V HA 0.665 4.785 4.120 -0.000 0.000 0.295 207 V C -0.036 176.099 176.094 0.068 0.000 1.025 207 V CA -0.334 62.008 62.300 0.070 0.000 0.859 207 V CB 1.902 33.753 31.823 0.046 0.000 0.988 207 V HN 0.853 nan 8.190 nan 0.000 0.431 208 S N 5.377 121.148 115.700 0.118 0.000 2.552 208 S HA 0.694 5.164 4.470 -0.000 0.000 0.314 208 S C -0.781 173.897 174.600 0.129 0.000 1.099 208 S CA -0.586 57.681 58.200 0.111 0.000 1.070 208 S CB 0.722 64.060 63.200 0.230 0.000 0.998 208 S HN 0.581 nan 8.310 nan 0.000 0.474 209 L N 5.836 127.008 121.223 -0.085 0.000 2.331 209 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 209 L C 0.317 176.961 176.870 -0.377 0.000 1.106 209 L CA -0.283 54.497 54.840 -0.100 0.000 0.824 209 L CB 0.522 42.520 42.059 -0.102 0.000 1.142 209 L HN 0.714 nan 8.230 nan 0.000 0.443 210 H N 3.369 122.463 119.070 0.040 0.000 2.716 210 H HA 0.264 4.819 4.556 -0.000 0.000 0.230 210 H C -0.634 174.714 175.328 0.034 0.000 1.401 210 H CA -0.191 55.873 56.048 0.027 0.000 1.168 210 H CB 0.853 30.622 29.762 0.012 0.000 1.935 210 H HN 0.412 nan 8.280 nan 0.000 0.538 211 V N -1.019 118.946 119.914 0.085 0.000 2.850 211 V HA 0.645 4.765 4.120 -0.000 0.000 0.315 211 V C -2.487 173.646 176.094 0.064 0.000 1.064 211 V CA -2.498 59.850 62.300 0.080 0.000 0.979 211 V CB 1.939 33.804 31.823 0.070 0.000 1.039 211 V HN 0.041 nan 8.190 nan 0.000 0.452 212 P HA 0.358 nan 4.420 nan 0.000 0.276 212 P C -0.960 176.367 177.300 0.046 0.000 1.261 212 P CA -0.448 62.691 63.100 0.064 0.000 0.800 212 P CB 0.503 32.246 31.700 0.071 0.000 1.066 213 E N 1.216 121.441 120.200 0.042 0.000 2.130 213 E HA 0.285 4.635 4.350 -0.000 0.000 0.284 213 E C -0.580 176.040 176.600 0.033 0.000 1.018 213 E CA -0.450 55.969 56.400 0.033 0.000 0.817 213 E CB -0.233 29.486 29.700 0.032 0.000 1.078 213 E HN 0.557 nan 8.360 nan 0.000 0.396 214 N N 2.869 121.588 118.700 0.031 0.000 3.521 214 N HA 0.097 4.837 4.740 -0.000 0.000 0.228 214 N C -2.492 173.035 175.510 0.028 0.000 1.328 214 N CA -1.337 51.730 53.050 0.029 0.000 0.907 214 N CB 1.363 39.869 38.487 0.032 0.000 1.487 214 N HN 0.034 nan 8.380 nan 0.000 0.503 215 P HA -0.308 nan 4.420 nan 0.000 0.222 215 P C 1.426 178.742 177.300 0.028 0.000 1.154 215 P CA 2.377 65.492 63.100 0.024 0.000 0.874 215 P CB -0.086 31.627 31.700 0.021 0.000 0.787 216 S N -2.214 113.505 115.700 0.032 0.000 2.562 216 S HA -0.026 4.444 4.470 -0.000 0.000 0.221 216 S C 1.567 176.195 174.600 0.046 0.000 0.975 216 S CA 1.268 59.492 58.200 0.039 0.000 0.918 216 S CB -1.244 61.982 63.200 0.043 0.000 0.772 216 S HN 0.352 nan 8.310 nan 0.000 0.531 217 T N -1.891 112.687 114.554 0.040 0.000 2.990 217 T HA 0.299 4.649 4.350 -0.000 0.000 0.250 217 T C 0.570 175.288 174.700 0.029 0.000 1.041 217 T CA -0.397 61.727 62.100 0.040 0.000 1.010 217 T CB -0.277 68.614 68.868 0.038 0.000 1.003 217 T HN 0.071 nan 8.240 nan 0.000 0.499 218 K N 2.933 123.348 120.400 0.026 0.000 2.491 218 K HA 0.012 4.332 4.320 -0.000 0.000 0.279 218 K C 0.234 176.846 176.600 0.020 0.000 1.026 218 K CA 0.440 56.740 56.287 0.021 0.000 1.070 218 K CB -0.164 32.349 32.500 0.021 0.000 0.887 218 K HN 0.519 nan 8.250 nan 0.000 0.481 219 N N 1.853 120.563 118.700 0.016 0.000 2.681 219 N HA -0.289 4.451 4.740 -0.000 0.000 0.250 219 N C 1.091 176.610 175.510 0.014 0.000 1.133 219 N CA 0.711 53.769 53.050 0.014 0.000 0.732 219 N CB -0.733 37.763 38.487 0.015 0.000 1.107 219 N HN 0.641 nan 8.380 nan 0.000 0.559 220 M N -0.247 119.364 119.600 0.019 0.000 2.146 220 M HA -0.171 4.309 4.480 -0.000 0.000 0.256 220 M C 0.298 176.607 176.300 0.014 0.000 1.075 220 M CA 1.814 57.129 55.300 0.025 0.000 1.082 220 M CB 0.097 32.719 32.600 0.037 0.000 1.355 220 M HN 0.151 nan 8.290 nan 0.000 0.402 221 M N 1.141 120.744 119.600 0.006 0.000 2.325 221 M HA 0.319 4.799 4.480 -0.000 0.000 0.305 221 M C 0.164 176.465 176.300 0.001 0.000 1.047 221 M CA -0.147 55.154 55.300 0.000 0.000 0.981 221 M CB 0.142 32.739 32.600 -0.006 0.000 1.307 221 M HN 0.185 nan 8.290 nan 0.000 0.418 222 G N 0.769 109.571 108.800 0.003 0.000 2.583 222 G HA2 0.593 4.553 3.960 -0.000 0.000 0.280 222 G HA3 0.593 4.553 3.960 -0.000 0.000 0.280 222 G C 0.811 175.713 174.900 0.004 0.000 1.376 222 G CA 0.060 45.162 45.100 0.005 0.000 1.043 222 G HN 0.581 nan 8.290 nan 0.000 0.538 223 A N -0.533 122.289 122.820 0.003 0.000 1.940 223 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 223 A C 2.342 179.922 177.584 -0.007 0.000 1.176 223 A CA 2.368 54.406 52.037 0.001 0.000 0.631 223 A CB -0.449 18.550 19.000 -0.002 0.000 0.814 223 A HN 0.516 nan 8.150 nan 0.000 0.446 224 K N 0.439 120.833 120.400 -0.009 0.000 1.978 224 K HA -0.133 4.187 4.320 -0.000 0.000 0.214 224 K C 1.726 178.318 176.600 -0.013 0.000 1.049 224 K CA 1.882 58.159 56.287 -0.016 0.000 0.939 224 K CB -0.647 31.845 32.500 -0.014 0.000 0.721 224 K HN 0.517 nan 8.250 nan 0.000 0.441 225 E N 0.636 120.830 120.200 -0.010 0.000 2.058 225 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 225 E C 2.062 178.669 176.600 0.011 0.000 0.997 225 E CA 1.219 57.613 56.400 -0.010 0.000 0.801 225 E CB -0.388 29.303 29.700 -0.015 0.000 0.746 225 E HN 0.229 nan 8.360 nan 0.000 0.450 226 I N 0.939 121.522 120.570 0.023 0.000 2.208 226 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 226 I C 2.336 178.537 176.117 0.141 0.000 1.097 226 I CA 1.582 62.920 61.300 0.063 0.000 1.363 226 I CB -0.411 37.624 38.000 0.058 0.000 1.051 226 I HN 0.159 nan 8.210 nan 0.000 0.413 227 S N 0.983 116.716 115.700 0.055 0.000 2.419 227 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 227 S C 1.884 176.508 174.600 0.041 0.000 1.016 227 S CA 0.831 59.000 58.200 -0.051 0.000 0.974 227 S CB -0.862 62.248 63.200 -0.151 0.000 0.786 227 S HN 0.435 nan 8.310 nan 0.000 0.492 228 L N 0.330 121.576 121.223 0.037 0.000 2.549 228 L HA 0.137 4.477 4.340 -0.000 0.000 0.229 228 L C 1.321 178.230 176.870 0.065 0.000 1.158 228 L CA 0.359 55.215 54.840 0.027 0.000 0.842 228 L CB -0.629 41.423 42.059 -0.011 0.000 0.952 228 L HN 0.348 nan 8.230 nan 0.000 0.452 229 M N 0.013 119.693 119.600 0.134 0.000 2.240 229 M HA 0.077 4.557 4.480 -0.000 0.000 0.333 229 M C 0.587 176.920 176.300 0.055 0.000 1.110 229 M CA 0.144 55.486 55.300 0.070 0.000 1.173 229 M CB 0.664 33.273 32.600 0.016 0.000 1.458 229 M HN -0.091 nan 8.290 nan 0.000 0.458 230 K N 3.931 124.314 120.400 -0.029 0.000 2.447 230 K HA 0.125 4.445 4.320 -0.000 0.000 0.281 230 K C -2.216 174.306 176.600 -0.129 0.000 1.031 230 K CA -1.323 54.941 56.287 -0.038 0.000 1.019 230 K CB 0.296 32.764 32.500 -0.052 0.000 0.918 230 K HN 0.219 nan 8.250 nan 0.000 0.476 231 P HA -0.067 nan 4.420 nan 0.000 0.260 231 P C 0.431 177.674 177.300 -0.094 0.000 1.185 231 P CA 0.846 63.894 63.100 -0.086 0.000 0.763 231 P CB 0.455 32.230 31.700 0.125 0.000 0.776 232 G N 2.264 110.980 108.800 -0.140 0.000 2.195 232 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.246 232 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.246 232 G C 0.493 175.363 174.900 -0.049 0.000 0.984 232 G CA 0.353 45.427 45.100 -0.043 0.000 0.633 232 G HN 0.779 nan 8.290 nan 0.000 0.525 233 S N -0.413 115.218 115.700 -0.115 0.000 2.602 233 S HA 0.775 5.245 4.470 -0.000 0.000 0.257 233 S C 0.179 174.737 174.600 -0.069 0.000 1.250 233 S CA 0.041 58.192 58.200 -0.082 0.000 0.986 233 S CB 1.128 64.272 63.200 -0.092 0.000 1.040 233 S HN 0.963 nan 8.310 nan 0.000 0.562 234 L N -0.027 121.170 121.223 -0.044 0.000 2.445 234 L HA 0.626 4.966 4.340 -0.000 0.000 0.262 234 L C -1.345 175.508 176.870 -0.027 0.000 0.974 234 L CA -0.782 54.038 54.840 -0.033 0.000 0.822 234 L CB 1.917 43.974 42.059 -0.003 0.000 1.339 234 L HN 0.638 nan 8.230 nan 0.000 0.409 235 L N 3.352 124.553 121.223 -0.038 0.000 2.349 235 L HA 0.682 5.022 4.340 -0.000 0.000 0.278 235 L C -1.198 175.647 176.870 -0.041 0.000 0.996 235 L CA 0.069 54.889 54.840 -0.034 0.000 0.825 235 L CB 1.486 43.519 42.059 -0.043 0.000 1.243 235 L HN 0.440 nan 8.230 nan 0.000 0.412 236 I N 5.027 125.577 120.570 -0.034 0.000 2.433 236 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 236 I C -0.557 175.500 176.117 -0.100 0.000 1.001 236 I CA -0.396 60.872 61.300 -0.052 0.000 1.119 236 I CB 1.826 39.816 38.000 -0.016 0.000 1.289 236 I HN 0.651 nan 8.210 nan 0.000 0.438 237 N N 5.269 123.883 118.700 -0.144 0.000 2.540 237 N HA 0.551 5.291 4.740 -0.000 0.000 0.275 237 N C -0.878 174.490 175.510 -0.237 0.000 1.053 237 N CA -0.216 52.712 53.050 -0.203 0.000 0.876 237 N CB 1.663 40.038 38.487 -0.187 0.000 1.284 237 N HN 0.730 nan 8.380 nan 0.000 0.518 238 A N 2.518 125.175 122.820 -0.271 0.000 2.705 238 A HA 0.248 4.568 4.320 -0.000 0.000 0.294 238 A C 0.807 178.262 177.584 -0.214 0.000 1.039 238 A CA -0.281 51.625 52.037 -0.218 0.000 1.005 238 A CB -0.166 18.763 19.000 -0.119 0.000 1.192 238 A HN 0.642 nan 8.150 nan 0.000 0.513 239 S N -0.158 115.400 115.700 -0.236 0.000 2.440 239 S HA 0.450 4.920 4.470 -0.000 0.000 0.194 239 S C 0.626 175.153 174.600 -0.121 0.000 0.952 239 S CA -0.013 58.103 58.200 -0.140 0.000 0.898 239 S CB 0.163 63.295 63.200 -0.113 0.000 0.875 239 S HN 0.310 nan 8.310 nan 0.000 0.581 240 R N 0.298 120.726 120.500 -0.120 0.000 2.604 240 R HA 0.510 4.850 4.340 -0.000 0.000 0.281 240 R C 0.980 177.222 176.300 -0.096 0.000 1.020 240 R CA -0.158 55.889 56.100 -0.090 0.000 0.899 240 R CB 1.050 31.333 30.300 -0.029 0.000 1.205 240 R HN 0.477 nan 8.270 nan 0.000 0.450 241 G N 0.379 109.134 108.800 -0.075 0.000 2.499 241 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.221 241 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.221 241 G C 0.960 175.850 174.900 -0.017 0.000 1.109 241 G CA 1.667 46.740 45.100 -0.044 0.000 0.749 241 G HN 0.634 nan 8.290 nan 0.000 0.568 242 T N -2.226 112.323 114.554 -0.008 0.000 3.107 242 T HA 0.223 4.573 4.350 -0.000 0.000 0.249 242 T C 1.839 176.538 174.700 -0.001 0.000 1.096 242 T CA 0.544 62.650 62.100 0.009 0.000 1.012 242 T CB 0.571 69.450 68.868 0.018 0.000 0.977 242 T HN -0.004 nan 8.240 nan 0.000 0.527 243 V N 0.823 120.724 119.914 -0.021 0.000 3.406 243 V HA 0.241 4.361 4.120 -0.000 0.000 0.263 243 V C 0.645 176.728 176.094 -0.018 0.000 1.172 243 V CA 0.260 62.550 62.300 -0.018 0.000 1.140 243 V CB 0.077 31.882 31.823 -0.029 0.000 0.784 243 V HN 0.417 nan 8.190 nan 0.000 0.467 244 V N 0.429 120.328 119.914 -0.024 0.000 2.577 244 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 244 V C -0.583 175.509 176.094 -0.003 0.000 1.042 244 V CA -0.873 61.414 62.300 -0.021 0.000 0.872 244 V CB 1.979 33.773 31.823 -0.049 0.000 0.998 244 V HN 0.196 nan 8.190 nan 0.000 0.423 245 D N 4.118 124.520 120.400 0.004 0.000 2.359 245 D HA 0.096 4.735 4.640 -0.000 0.000 0.273 245 D C 1.096 177.407 176.300 0.018 0.000 1.362 245 D CA 0.428 54.437 54.000 0.014 0.000 1.010 245 D CB 0.651 41.459 40.800 0.013 0.000 1.090 245 D HN 0.501 nan 8.370 nan 0.000 0.521 246 I N 5.212 125.802 120.570 0.034 0.000 2.226 246 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 246 I C -0.725 175.421 176.117 0.049 0.000 1.100 246 I CA 0.695 62.023 61.300 0.048 0.000 1.374 246 I CB -0.706 37.350 38.000 0.093 0.000 1.057 246 I HN 0.378 nan 8.210 nan 0.000 0.413 247 P HA -0.176 nan 4.420 nan 0.000 0.216 247 P C 1.524 178.847 177.300 0.039 0.000 1.153 247 P CA 1.775 64.906 63.100 0.052 0.000 0.848 247 P CB -0.048 31.678 31.700 0.044 0.000 0.787 248 A N -0.069 122.766 122.820 0.026 0.000 1.869 248 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 248 A C 2.191 179.781 177.584 0.010 0.000 1.203 248 A CA 2.166 54.214 52.037 0.018 0.000 0.638 248 A CB -1.815 17.193 19.000 0.012 0.000 0.831 248 A HN 0.205 nan 8.150 nan 0.000 0.450 249 L N -0.347 120.873 121.223 -0.005 0.000 2.043 249 L HA -0.143 4.196 4.340 -0.000 0.000 0.212 249 L C 2.667 179.476 176.870 -0.101 0.000 1.075 249 L CA 2.485 57.298 54.840 -0.045 0.000 0.752 249 L CB -0.735 41.294 42.059 -0.049 0.000 0.891 249 L HN 0.385 nan 8.230 nan 0.000 0.432 250 A N -0.920 121.871 122.820 -0.048 0.000 1.933 250 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 250 A C 1.992 179.603 177.584 0.044 0.000 1.175 250 A CA 1.863 53.880 52.037 -0.033 0.000 0.628 250 A CB -0.833 18.287 19.000 0.199 0.000 0.814 250 A HN 0.549 nan 8.150 nan 0.000 0.444 251 D N 0.144 120.580 120.400 0.060 0.000 2.084 251 D HA -0.076 4.564 4.640 -0.000 0.000 0.194 251 D C 2.262 178.594 176.300 0.054 0.000 0.990 251 D CA 1.728 55.772 54.000 0.073 0.000 0.826 251 D CB -0.552 40.278 40.800 0.050 0.000 0.971 251 D HN 0.402 nan 8.370 nan 0.000 0.453 252 A N 0.224 123.060 122.820 0.027 0.000 2.024 252 A HA -0.125 4.194 4.320 -0.000 0.000 0.220 252 A C 2.361 179.952 177.584 0.012 0.000 1.164 252 A CA 0.973 53.046 52.037 0.061 0.000 0.643 252 A CB -0.617 18.433 19.000 0.083 0.000 0.806 252 A HN 0.206 nan 8.150 nan 0.000 0.451 253 L N -1.192 119.962 121.223 -0.115 0.000 2.049 253 L HA -0.053 4.287 4.340 -0.000 0.000 0.203 253 L C 3.041 179.925 176.870 0.023 0.000 1.074 253 L CA 0.939 55.648 54.840 -0.217 0.000 0.749 253 L CB -0.470 41.121 42.059 -0.780 0.000 0.907 253 L HN 0.365 nan 8.230 nan 0.000 0.439 254 A N -0.315 122.623 122.820 0.197 0.000 2.024 254 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 254 A C 2.362 180.047 177.584 0.168 0.000 1.164 254 A CA 1.883 54.118 52.037 0.330 0.000 0.643 254 A CB -0.667 18.532 19.000 0.331 0.000 0.806 254 A HN 0.510 nan 8.150 nan 0.000 0.451 255 S N -2.069 113.703 115.700 0.120 0.000 2.603 255 S HA 0.129 4.599 4.470 -0.000 0.000 0.220 255 S C 0.819 175.482 174.600 0.105 0.000 0.967 255 S CA 0.853 59.113 58.200 0.100 0.000 0.920 255 S CB -0.152 63.099 63.200 0.086 0.000 0.773 255 S HN 0.387 nan 8.310 nan 0.000 0.529 256 K N -0.037 120.422 120.400 0.098 0.000 3.193 256 K HA -0.249 4.070 4.320 -0.000 0.000 0.294 256 K C 0.510 177.160 176.600 0.083 0.000 1.185 256 K CA 1.178 57.511 56.287 0.077 0.000 0.866 256 K CB -2.483 30.062 32.500 0.075 0.000 1.227 256 K HN 0.801 nan 8.250 nan 0.000 0.467 257 H N -0.278 118.798 119.070 0.010 0.000 2.363 257 H HA 0.163 4.719 4.556 -0.000 0.000 0.301 257 H C 0.428 175.753 175.328 -0.005 0.000 1.074 257 H CA 1.533 57.582 56.048 0.002 0.000 1.354 257 H CB 0.318 30.078 29.762 -0.003 0.000 1.397 257 H HN 0.209 nan 8.280 nan 0.000 0.516 258 L N 0.159 121.272 121.223 -0.183 0.000 2.343 258 L HA 0.384 4.723 4.340 -0.000 0.000 0.275 258 L C 1.345 178.160 176.870 -0.092 0.000 1.056 258 L CA -0.170 54.558 54.840 -0.187 0.000 0.804 258 L CB 1.554 43.521 42.059 -0.154 0.000 1.203 258 L HN 0.186 nan 8.230 nan 0.000 0.440 259 A N 1.955 124.735 122.820 -0.065 0.000 2.067 259 A HA 0.449 4.768 4.320 -0.000 0.000 0.217 259 A C 0.909 178.484 177.584 -0.014 0.000 1.156 259 A CA 1.039 53.068 52.037 -0.013 0.000 0.683 259 A CB -0.107 18.908 19.000 0.025 0.000 0.808 259 A HN 0.939 nan 8.150 nan 0.000 0.455 260 G N -3.340 105.436 108.800 -0.040 0.000 2.320 260 G HA2 0.655 4.615 3.960 -0.000 0.000 0.296 260 G HA3 0.655 4.615 3.960 -0.000 0.000 0.296 260 G C -1.104 173.765 174.900 -0.053 0.000 1.306 260 G CA 0.065 45.143 45.100 -0.037 0.000 0.836 260 G HN 1.436 nan 8.290 nan 0.000 0.517 261 A N -1.745 121.051 122.820 -0.040 0.000 2.540 261 A HA 1.049 5.369 4.320 -0.000 0.000 0.291 261 A C -1.004 176.566 177.584 -0.024 0.000 1.083 261 A CA 0.322 52.333 52.037 -0.043 0.000 0.650 261 A CB 0.926 19.883 19.000 -0.072 0.000 1.292 261 A HN 2.602 nan 8.150 nan 0.000 0.435 262 A N 0.671 123.470 122.820 -0.036 0.000 2.402 262 A HA 0.670 4.990 4.320 -0.000 0.000 0.291 262 A C -1.355 176.178 177.584 -0.086 0.000 1.051 262 A CA -0.275 51.742 52.037 -0.033 0.000 0.716 262 A CB 0.751 19.740 19.000 -0.018 0.000 1.223 262 A HN 0.868 nan 8.150 nan 0.000 0.425 263 I N 2.659 123.163 120.570 -0.111 0.000 2.418 263 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 263 I C 0.248 176.185 176.117 -0.300 0.000 1.008 263 I CA -0.189 60.940 61.300 -0.284 0.000 1.104 263 I CB 1.670 39.427 38.000 -0.405 0.000 1.264 263 I HN 0.853 nan 8.210 nan 0.000 0.438 264 D N 4.444 124.655 120.400 -0.315 0.000 2.324 264 D HA 0.051 4.691 4.640 -0.000 0.000 0.212 264 D C 0.259 176.391 176.300 -0.281 0.000 0.984 264 D CA 0.925 54.806 54.000 -0.199 0.000 0.885 264 D CB 0.880 41.599 40.800 -0.134 0.000 0.996 264 D HN 0.317 nan 8.370 nan 0.000 0.505 265 V N -1.416 118.179 119.914 -0.532 0.000 2.823 265 V HA 0.712 4.832 4.120 -0.000 0.000 0.312 265 V C -0.849 174.919 176.094 -0.543 0.000 1.072 265 V CA -0.980 61.056 62.300 -0.439 0.000 0.937 265 V CB 1.524 33.073 31.823 -0.458 0.000 1.013 265 V HN -0.136 nan 8.190 nan 0.000 0.430 266 F N 1.394 121.347 119.950 0.004 0.000 2.593 266 F HA 0.690 5.217 4.527 -0.000 0.000 0.320 266 F C -1.772 174.060 175.800 0.054 0.000 1.060 266 F CA -2.379 55.658 58.000 0.062 0.000 0.940 266 F CB 1.490 40.586 39.000 0.160 0.000 1.268 266 F HN 0.281 nan 8.300 nan 0.000 0.475 267 P HA -0.115 nan 4.420 nan 0.000 0.216 267 P C -0.159 177.228 177.300 0.144 0.000 1.157 267 P CA 1.796 64.981 63.100 0.141 0.000 0.880 267 P CB 0.111 31.881 31.700 0.116 0.000 0.791 268 T N 0.591 115.245 114.554 0.166 0.000 2.815 268 T HA 0.304 4.653 4.350 -0.000 0.000 0.289 268 T C -0.491 174.303 174.700 0.156 0.000 1.000 268 T CA -0.535 61.641 62.100 0.127 0.000 0.958 268 T CB 1.179 70.092 68.868 0.074 0.000 0.944 268 T HN -0.074 nan 8.240 nan 0.000 0.442 269 E N 3.063 123.362 120.200 0.165 0.000 2.204 269 E HA 0.417 4.767 4.350 -0.000 0.000 0.276 269 E C -2.178 174.495 176.600 0.122 0.000 0.974 269 E CA -2.118 54.389 56.400 0.179 0.000 0.815 269 E CB 0.848 30.690 29.700 0.235 0.000 1.119 269 E HN 0.347 nan 8.360 nan 0.000 0.393 270 P HA -0.088 nan 4.420 nan 0.000 0.264 270 P C -0.148 177.190 177.300 0.063 0.000 1.179 270 P CA 0.194 63.342 63.100 0.080 0.000 0.763 270 P CB 0.698 32.447 31.700 0.083 0.000 0.806 271 A N 1.875 124.723 122.820 0.048 0.000 1.930 271 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 271 A C 1.179 178.775 177.584 0.020 0.000 1.175 271 A CA 1.967 54.026 52.037 0.037 0.000 0.627 271 A CB -0.421 18.598 19.000 0.030 0.000 0.815 271 A HN 0.607 nan 8.150 nan 0.000 0.443 272 T N -3.478 111.086 114.554 0.016 0.000 2.762 272 T HA 0.312 4.661 4.350 -0.000 0.000 0.301 272 T C -0.239 174.464 174.700 0.006 0.000 1.299 272 T CA -0.479 61.623 62.100 0.003 0.000 1.005 272 T CB 0.916 69.780 68.868 -0.006 0.000 1.377 272 T HN 0.088 nan 8.240 nan 0.000 0.504 273 N N 0.740 119.438 118.700 -0.002 0.000 2.571 273 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 273 N C 1.333 176.846 175.510 0.004 0.000 1.154 273 N CA 0.565 53.614 53.050 -0.001 0.000 0.907 273 N CB 0.015 38.498 38.487 -0.008 0.000 0.977 273 N HN 0.358 nan 8.380 nan 0.000 0.449 274 S N -0.105 115.598 115.700 0.005 0.000 2.503 274 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 274 S C 0.301 174.909 174.600 0.013 0.000 0.999 274 S CA -0.071 58.133 58.200 0.007 0.000 0.914 274 S CB 0.494 63.695 63.200 0.002 0.000 0.782 274 S HN 0.281 nan 8.310 nan 0.000 0.520 275 D N 2.882 123.294 120.400 0.019 0.000 2.264 275 D HA 0.292 4.932 4.640 -0.000 0.000 0.249 275 D C -2.558 173.765 176.300 0.038 0.000 1.070 275 D CA -1.279 52.735 54.000 0.023 0.000 0.912 275 D CB 0.681 41.495 40.800 0.024 0.000 1.193 275 D HN 0.081 nan 8.370 nan 0.000 0.427 276 P HA 0.123 nan 4.420 nan 0.000 0.271 276 P C -0.747 176.590 177.300 0.062 0.000 1.218 276 P CA -0.290 62.830 63.100 0.034 0.000 0.780 276 P CB 0.358 32.055 31.700 -0.005 0.000 0.901 277 F N 1.893 121.798 119.950 -0.075 0.000 2.404 277 F HA 0.458 4.985 4.527 -0.000 0.000 0.354 277 F C -0.562 175.167 175.800 -0.120 0.000 1.122 277 F CA -0.038 57.887 58.000 -0.126 0.000 1.080 277 F CB 1.054 39.961 39.000 -0.155 0.000 1.131 277 F HN 0.108 nan 8.300 nan 0.000 0.471 278 T N 4.729 118.721 114.554 -0.936 0.000 2.824 278 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 278 T C -1.163 172.970 174.700 -0.945 0.000 0.993 278 T CA -0.695 60.960 62.100 -0.742 0.000 0.967 278 T CB 1.547 70.210 68.868 -0.342 0.000 0.960 278 T HN 0.599 nan 8.240 nan 0.000 0.441 279 S N 1.869 117.172 115.700 -0.661 0.000 2.537 279 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 279 S C -2.032 172.514 174.600 -0.090 0.000 1.148 279 S CA -1.202 56.797 58.200 -0.336 0.000 0.868 279 S CB 1.428 64.469 63.200 -0.264 0.000 1.115 279 S HN 0.383 nan 8.310 nan 0.000 0.461 280 P HA -0.003 nan 4.420 nan 0.000 0.216 280 P C 1.262 178.714 177.300 0.253 0.000 1.150 280 P CA 1.046 64.212 63.100 0.110 0.000 0.837 280 P CB -0.052 31.729 31.700 0.136 0.000 0.786 281 L N -1.206 120.192 121.223 0.293 0.000 2.362 281 L HA -0.043 4.297 4.340 -0.000 0.000 0.219 281 L C 2.282 179.399 176.870 0.413 0.000 1.134 281 L CA 0.889 55.991 54.840 0.436 0.000 0.807 281 L CB -1.093 41.156 42.059 0.316 0.000 0.927 281 L HN -0.071 nan 8.230 nan 0.000 0.447 282 A N 0.154 123.117 122.820 0.238 0.000 2.172 282 A HA -0.194 4.125 4.320 -0.000 0.000 0.216 282 A C 2.165 179.808 177.584 0.099 0.000 1.154 282 A CA 1.334 53.481 52.037 0.183 0.000 0.701 282 A CB -0.343 18.722 19.000 0.108 0.000 0.789 282 A HN 0.457 nan 8.150 nan 0.000 0.465 283 E N -1.547 118.657 120.200 0.007 0.000 2.489 283 E HA 0.120 4.470 4.350 -0.000 0.000 0.193 283 E C -0.748 175.689 176.600 -0.271 0.000 1.057 283 E CA -0.204 56.081 56.400 -0.191 0.000 0.866 283 E CB -0.052 29.449 29.700 -0.331 0.000 0.916 283 E HN 0.521 nan 8.360 nan 0.000 0.500 284 F N 0.943 120.923 119.950 0.050 0.000 2.361 284 F HA 0.201 4.728 4.527 -0.000 0.000 0.364 284 F C 0.892 176.720 175.800 0.047 0.000 1.120 284 F CA -0.856 57.172 58.000 0.047 0.000 1.102 284 F CB 1.346 40.377 39.000 0.051 0.000 1.183 284 F HN -0.105 nan 8.300 nan 0.000 0.476 285 D N 1.357 121.862 120.400 0.175 0.000 2.218 285 D HA -0.194 4.446 4.640 -0.000 0.000 0.204 285 D C 1.298 177.674 176.300 0.127 0.000 0.976 285 D CA 1.323 55.398 54.000 0.125 0.000 0.853 285 D CB -0.194 40.655 40.800 0.081 0.000 0.939 285 D HN 0.669 nan 8.370 nan 0.000 0.481 286 N N -0.093 118.701 118.700 0.156 0.000 2.362 286 N HA 0.080 4.820 4.740 -0.000 0.000 0.211 286 N C -0.564 174.996 175.510 0.084 0.000 1.170 286 N CA -0.185 52.926 53.050 0.101 0.000 0.828 286 N CB 0.554 39.092 38.487 0.086 0.000 1.034 286 N HN -0.168 nan 8.380 nan 0.000 0.475 287 V N 1.335 121.320 119.914 0.119 0.000 2.540 287 V HA 0.280 4.400 4.120 -0.000 0.000 0.302 287 V C -0.079 176.072 176.094 0.095 0.000 1.035 287 V CA -0.855 61.499 62.300 0.090 0.000 0.873 287 V CB 2.146 34.034 31.823 0.109 0.000 0.992 287 V HN 0.258 nan 8.190 nan 0.000 0.428 288 L N 5.962 127.223 121.223 0.065 0.000 2.315 288 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 288 L C -0.687 176.234 176.870 0.084 0.000 1.089 288 L CA -0.073 54.804 54.840 0.060 0.000 0.833 288 L CB 0.649 42.728 42.059 0.033 0.000 1.170 288 L HN 0.438 nan 8.230 nan 0.000 0.442 289 L N 4.016 125.304 121.223 0.109 0.000 2.313 289 L HA 0.581 4.921 4.340 -0.000 0.000 0.283 289 L C 0.021 176.927 176.870 0.060 0.000 1.013 289 L CA -0.437 54.499 54.840 0.161 0.000 0.816 289 L CB 1.894 44.096 42.059 0.239 0.000 1.236 289 L HN 0.565 nan 8.230 nan 0.000 0.419 290 T N -0.717 113.884 114.554 0.079 0.000 2.893 290 T HA 0.482 4.832 4.350 -0.000 0.000 0.293 290 T C -2.654 172.086 174.700 0.066 0.000 1.027 290 T CA -2.106 60.012 62.100 0.029 0.000 0.988 290 T CB 2.165 71.051 68.868 0.030 0.000 1.043 290 T HN 0.314 nan 8.240 nan 0.000 0.461 291 P HA 0.156 nan 4.420 nan 0.000 0.220 291 P C 0.006 177.401 177.300 0.157 0.000 1.778 291 P CA 0.174 63.278 63.100 0.007 0.000 0.912 291 P CB -1.353 30.303 31.700 -0.073 0.000 1.861 292 H N 1.313 120.421 119.070 0.064 0.000 2.882 292 H HA -0.113 4.443 4.556 -0.000 0.000 0.340 292 H C 0.170 175.516 175.328 0.030 0.000 1.195 292 H CA -0.136 55.946 56.048 0.055 0.000 1.152 292 H CB -0.916 28.896 29.762 0.083 0.000 1.590 292 H HN 0.408 nan 8.280 nan 0.000 0.421 293 I N -1.512 119.175 120.570 0.195 0.000 4.147 293 I HA 0.362 4.531 4.170 -0.000 0.000 0.329 293 I C 1.879 178.057 176.117 0.101 0.000 1.424 293 I CA 0.335 61.701 61.300 0.109 0.000 1.127 293 I CB 0.327 38.363 38.000 0.061 0.000 1.128 293 I HN 0.337 nan 8.210 nan 0.000 0.417 294 G N 1.963 110.839 108.800 0.128 0.000 2.485 294 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.221 294 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.221 294 G C 1.305 176.257 174.900 0.088 0.000 1.115 294 G CA 1.023 46.178 45.100 0.093 0.000 0.751 294 G HN 0.584 nan 8.290 nan 0.000 0.567 295 G N -0.778 108.081 108.800 0.097 0.000 3.324 295 G HA2 0.326 4.285 3.960 -0.000 0.000 0.251 295 G HA3 0.326 4.285 3.960 -0.000 0.000 0.251 295 G C 0.412 175.342 174.900 0.051 0.000 1.072 295 G CA 0.080 45.222 45.100 0.069 0.000 0.787 295 G HN 0.235 nan 8.290 nan 0.000 0.537 296 S N 1.008 116.737 115.700 0.048 0.000 3.729 296 S HA 0.466 4.936 4.470 -0.000 0.000 0.235 296 S C -0.114 174.510 174.600 0.040 0.000 1.367 296 S CA -0.149 58.073 58.200 0.036 0.000 0.907 296 S CB 0.595 63.811 63.200 0.026 0.000 1.471 296 S HN 0.234 nan 8.310 nan 0.000 0.476 297 T N 1.651 116.232 114.554 0.045 0.000 2.893 297 T HA 0.246 4.596 4.350 -0.000 0.000 0.293 297 T C 0.975 175.711 174.700 0.059 0.000 1.027 297 T CA -0.622 61.504 62.100 0.044 0.000 0.988 297 T CB 1.111 70.001 68.868 0.036 0.000 1.043 297 T HN 0.263 nan 8.240 nan 0.000 0.461 298 Q N 2.066 121.907 119.800 0.069 0.000 2.061 298 Q HA -0.148 4.191 4.340 -0.000 0.000 0.204 298 Q C 1.649 177.691 176.000 0.070 0.000 0.984 298 Q CA 1.893 57.764 55.803 0.113 0.000 0.846 298 Q CB -0.109 28.698 28.738 0.115 0.000 0.902 298 Q HN 0.721 nan 8.270 nan 0.000 0.421 299 E N 0.906 121.124 120.200 0.031 0.000 2.097 299 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 299 E C 1.855 178.440 176.600 -0.025 0.000 1.000 299 E CA 1.477 57.872 56.400 -0.008 0.000 0.804 299 E CB -0.390 29.308 29.700 -0.003 0.000 0.740 299 E HN 0.412 nan 8.360 nan 0.000 0.454 300 A N 0.639 123.462 122.820 0.005 0.000 1.873 300 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 300 A C 2.058 179.646 177.584 0.007 0.000 1.186 300 A CA 1.241 53.281 52.037 0.006 0.000 0.616 300 A CB -0.393 18.622 19.000 0.025 0.000 0.823 300 A HN 0.102 nan 8.150 nan 0.000 0.442 301 Q N -0.436 119.391 119.800 0.044 0.000 2.135 301 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 301 Q C 1.925 177.925 176.000 0.000 0.000 0.981 301 Q CA 1.833 57.693 55.803 0.094 0.000 0.856 301 Q CB -0.350 28.504 28.738 0.193 0.000 0.902 301 Q HN 0.889 nan 8.270 nan 0.000 0.425 302 E N 0.488 120.545 120.200 -0.238 0.000 2.072 302 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 302 E C 1.655 178.112 176.600 -0.239 0.000 0.985 302 E CA 0.761 56.802 56.400 -0.598 0.000 0.801 302 E CB 0.086 29.418 29.700 -0.613 0.000 0.750 302 E HN 0.408 nan 8.360 nan 0.000 0.452 303 N N 0.039 118.662 118.700 -0.128 0.000 2.216 303 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 303 N C 2.031 177.510 175.510 -0.051 0.000 1.017 303 N CA 0.794 53.798 53.050 -0.078 0.000 0.861 303 N CB -0.011 38.443 38.487 -0.055 0.000 0.986 303 N HN 0.160 nan 8.380 nan 0.000 0.428 304 I N 0.975 121.532 120.570 -0.020 0.000 2.208 304 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 304 I C 2.505 178.649 176.117 0.045 0.000 1.097 304 I CA 1.183 62.485 61.300 0.003 0.000 1.363 304 I CB -0.405 37.629 38.000 0.057 0.000 1.051 304 I HN 0.174 nan 8.210 nan 0.000 0.413 305 G N 0.387 109.262 108.800 0.125 0.000 2.402 305 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 305 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 305 G C 1.692 176.676 174.900 0.141 0.000 1.162 305 G CA 0.315 45.583 45.100 0.280 0.000 0.777 305 G HN 0.228 nan 8.290 nan 0.000 0.539 306 L N 0.218 121.448 121.223 0.012 0.000 1.989 306 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 306 L C 2.853 179.685 176.870 -0.064 0.000 1.071 306 L CA 1.985 56.808 54.840 -0.030 0.000 0.749 306 L CB -0.464 41.560 42.059 -0.058 0.000 0.890 306 L HN 0.440 nan 8.230 nan 0.000 0.431 307 E N -0.072 120.075 120.200 -0.088 0.000 2.038 307 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 307 E C 2.095 178.565 176.600 -0.218 0.000 1.000 307 E CA 1.959 58.279 56.400 -0.133 0.000 0.803 307 E CB 0.033 29.660 29.700 -0.122 0.000 0.750 307 E HN 0.245 nan 8.360 nan 0.000 0.448 308 V N 0.990 120.716 119.914 -0.313 0.000 2.488 308 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 308 V C 2.442 178.266 176.094 -0.450 0.000 1.046 308 V CA 1.509 63.486 62.300 -0.539 0.000 1.053 308 V CB -0.484 30.730 31.823 -1.015 0.000 0.679 308 V HN 0.482 nan 8.190 nan 0.000 0.458 309 A N 0.656 123.348 122.820 -0.213 0.000 1.969 309 A HA -0.047 4.272 4.320 -0.000 0.000 0.218 309 A C 2.391 179.884 177.584 -0.151 0.000 1.169 309 A CA 1.761 53.770 52.037 -0.047 0.000 0.635 309 A CB -1.116 17.932 19.000 0.080 0.000 0.810 309 A HN 0.506 nan 8.150 nan 0.000 0.445 310 G N 0.071 108.777 108.800 -0.157 0.000 2.514 310 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 310 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 310 G C 1.660 176.408 174.900 -0.254 0.000 1.198 310 G CA 1.191 46.190 45.100 -0.168 0.000 0.780 310 G HN 0.568 nan 8.290 nan 0.000 0.565 311 K N -0.078 120.095 120.400 -0.379 0.000 2.113 311 K HA -0.005 4.315 4.320 -0.000 0.000 0.208 311 K C 2.546 178.746 176.600 -0.666 0.000 1.047 311 K CA 0.974 56.877 56.287 -0.640 0.000 0.928 311 K CB -0.300 31.656 32.500 -0.907 0.000 0.716 311 K HN 0.299 nan 8.250 nan 0.000 0.446 312 L N 0.442 121.391 121.223 -0.457 0.000 2.093 312 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 312 L C 2.319 179.039 176.870 -0.249 0.000 1.085 312 L CA 0.975 55.650 54.840 -0.275 0.000 0.755 312 L CB -0.403 41.540 42.059 -0.194 0.000 0.904 312 L HN 0.146 nan 8.230 nan 0.000 0.435 313 I N -0.126 120.310 120.570 -0.224 0.000 2.202 313 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 313 I C 2.554 178.652 176.117 -0.032 0.000 1.091 313 I CA 1.349 62.568 61.300 -0.136 0.000 1.368 313 I CB -0.281 37.683 38.000 -0.060 0.000 1.058 313 I HN 0.146 nan 8.210 nan 0.000 0.410 314 K N -0.132 120.232 120.400 -0.059 0.000 2.103 314 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 314 K C 2.149 178.791 176.600 0.071 0.000 1.048 314 K CA 1.865 58.147 56.287 -0.009 0.000 0.930 314 K CB -0.278 32.188 32.500 -0.056 0.000 0.716 314 K HN 0.365 nan 8.250 nan 0.000 0.444 315 Y N 0.279 120.542 120.300 -0.061 0.000 2.448 315 Y HA -0.037 4.513 4.550 -0.000 0.000 0.289 315 Y C 2.491 178.474 175.900 0.137 0.000 1.114 315 Y CA 0.781 58.918 58.100 0.062 0.000 1.235 315 Y CB 0.066 38.596 38.460 0.118 0.000 1.045 315 Y HN -0.080 nan 8.280 nan 0.000 0.554 316 S N -0.098 115.671 115.700 0.115 0.000 2.382 316 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 316 S C 1.542 176.201 174.600 0.097 0.000 1.027 316 S CA 1.984 60.248 58.200 0.108 0.000 0.991 316 S CB -0.327 62.892 63.200 0.032 0.000 0.823 316 S HN 0.587 nan 8.310 nan 0.000 0.469 317 D N 0.920 121.395 120.400 0.124 0.000 2.201 317 D HA 0.055 4.695 4.640 -0.000 0.000 0.209 317 D C 1.418 177.837 176.300 0.199 0.000 0.961 317 D CA 0.980 55.088 54.000 0.180 0.000 0.861 317 D CB -0.217 40.674 40.800 0.152 0.000 0.997 317 D HN 0.743 nan 8.370 nan 0.000 0.486 318 N N -1.433 117.347 118.700 0.134 0.000 2.194 318 N HA 0.135 4.875 4.740 -0.000 0.000 0.231 318 N C 1.040 176.593 175.510 0.072 0.000 1.247 318 N CA 0.508 53.659 53.050 0.168 0.000 0.884 318 N CB 1.777 40.365 38.487 0.168 0.000 1.146 318 N HN 0.097 nan 8.380 nan 0.000 0.516 319 G N 1.127 109.914 108.800 -0.022 0.000 2.155 319 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.257 319 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.257 319 G C -0.002 175.049 174.900 0.251 0.000 0.983 319 G CA 0.557 45.623 45.100 -0.057 0.000 0.676 319 G HN 0.552 nan 8.290 nan 0.000 0.528 320 S N -0.026 115.822 115.700 0.247 0.000 2.568 320 S HA 0.491 4.961 4.470 -0.000 0.000 0.282 320 S C 1.399 176.278 174.600 0.464 0.000 1.338 320 S CA 1.494 59.858 58.200 0.273 0.000 1.045 320 S CB 0.605 63.888 63.200 0.137 0.000 0.873 320 S HN 1.413 nan 8.310 nan 0.000 0.516 321 T N 2.750 117.518 114.554 0.358 0.000 3.460 321 T HA 0.221 4.571 4.350 -0.000 0.000 0.304 321 T C -0.081 174.774 174.700 0.259 0.000 0.991 321 T CA -0.552 61.761 62.100 0.355 0.000 0.975 321 T CB -0.198 68.795 68.868 0.208 0.000 1.196 321 T HN 0.442 nan 8.240 nan 0.000 0.490 322 L N 3.564 124.894 121.223 0.179 0.000 2.628 322 L HA 0.323 4.663 4.340 -0.000 0.000 0.274 322 L C 1.123 178.095 176.870 0.169 0.000 1.209 322 L CA 1.892 56.805 54.840 0.122 0.000 0.930 322 L CB -0.195 41.905 42.059 0.069 0.000 1.183 322 L HN 0.969 nan 8.230 nan 0.000 0.492 323 S N 1.868 117.652 115.700 0.139 0.000 2.931 323 S HA -0.179 4.290 4.470 -0.000 0.000 0.271 323 S C 0.430 175.121 174.600 0.153 0.000 1.309 323 S CA 0.473 58.750 58.200 0.128 0.000 1.181 323 S CB -2.388 60.873 63.200 0.101 0.000 1.435 323 S HN 1.916 nan 8.310 nan 0.000 0.670 324 A N 0.332 123.222 122.820 0.117 0.000 2.406 324 A HA 0.713 5.033 4.320 -0.000 0.000 0.243 324 A C 1.218 178.731 177.584 -0.118 0.000 1.082 324 A CA 0.399 52.310 52.037 -0.210 0.000 0.786 324 A CB 0.829 19.513 19.000 -0.526 0.000 1.029 324 A HN 1.177 nan 8.150 nan 0.000 0.495 325 V N 1.114 120.921 119.914 -0.179 0.000 3.645 325 V HA 0.045 4.165 4.120 -0.000 0.000 0.275 325 V C 0.868 176.922 176.094 -0.067 0.000 1.356 325 V CA 1.139 63.383 62.300 -0.093 0.000 1.051 325 V CB -0.268 31.496 31.823 -0.099 0.000 0.828 325 V HN 1.022 nan 8.190 nan 0.000 0.441 326 N N -1.278 117.388 118.700 -0.057 0.000 2.305 326 N HA 0.194 4.934 4.740 -0.000 0.000 0.248 326 N C -0.791 174.729 175.510 0.017 0.000 1.290 326 N CA -0.134 52.905 53.050 -0.019 0.000 0.873 326 N CB 0.706 39.180 38.487 -0.022 0.000 1.261 326 N HN 0.288 nan 8.380 nan 0.000 0.504 327 F N 0.512 120.358 119.950 -0.173 0.000 2.641 327 F HA 0.502 5.029 4.527 -0.000 0.000 0.308 327 F C -2.478 173.264 175.800 -0.097 0.000 1.105 327 F CA -1.628 56.264 58.000 -0.181 0.000 0.964 327 F CB 2.216 41.035 39.000 -0.302 0.000 1.294 327 F HN -0.228 nan 8.300 nan 0.000 0.442 328 P HA 0.113 nan 4.420 nan 0.000 0.268 328 P C -1.378 176.067 177.300 0.241 0.000 1.204 328 P CA 0.073 63.247 63.100 0.124 0.000 0.768 328 P CB 0.461 32.238 31.700 0.128 0.000 0.842 329 E N 1.378 121.668 120.200 0.151 0.000 2.130 329 E HA 0.368 4.718 4.350 -0.000 0.000 0.284 329 E C -0.439 176.156 176.600 -0.008 0.000 1.018 329 E CA -0.622 55.847 56.400 0.115 0.000 0.817 329 E CB 0.824 30.574 29.700 0.084 0.000 1.078 329 E HN 0.245 nan 8.360 nan 0.000 0.396 330 V N 0.445 120.333 119.914 -0.043 0.000 2.932 330 V HA 0.771 4.891 4.120 -0.000 0.000 0.307 330 V C -1.042 174.879 176.094 -0.289 0.000 1.147 330 V CA -0.437 61.571 62.300 -0.486 0.000 0.951 330 V CB 2.243 33.718 31.823 -0.580 0.000 1.031 330 V HN 0.484 nan 8.190 nan 0.000 0.426 331 S N 4.671 120.111 115.700 -0.433 0.000 2.548 331 S HA 0.803 5.273 4.470 -0.000 0.000 0.276 331 S C -1.509 173.104 174.600 0.023 0.000 1.129 331 S CA -0.631 57.508 58.200 -0.102 0.000 0.931 331 S CB 1.525 64.719 63.200 -0.010 0.000 1.068 331 S HN 0.988 nan 8.310 nan 0.000 0.480 332 L N 4.700 125.963 121.223 0.067 0.000 2.381 332 L HA 0.527 4.867 4.340 -0.000 0.000 0.274 332 L C -2.396 174.500 176.870 0.043 0.000 0.988 332 L CA -2.234 52.678 54.840 0.120 0.000 0.824 332 L CB 2.319 44.450 42.059 0.120 0.000 1.263 332 L HN 0.511 nan 8.230 nan 0.000 0.410 333 P HA 0.101 nan 4.420 nan 0.000 0.268 333 P C -0.764 176.330 177.300 -0.343 0.000 1.204 333 P CA -0.101 62.894 63.100 -0.175 0.000 0.768 333 P CB 0.361 31.935 31.700 -0.210 0.000 0.842 334 L N 4.323 125.384 121.223 -0.270 0.000 2.418 334 L HA 0.154 4.494 4.340 -0.000 0.000 0.274 334 L C 1.238 177.905 176.870 -0.338 0.000 1.135 334 L CA 0.045 54.781 54.840 -0.173 0.000 0.870 334 L CB -0.110 41.885 42.059 -0.107 0.000 1.154 334 L HN 0.613 nan 8.230 nan 0.000 0.462 335 H N 2.507 121.618 119.070 0.068 0.000 2.027 335 H HA 0.148 4.704 4.556 -0.000 0.000 0.209 335 H C 0.090 175.448 175.328 0.049 0.000 0.903 335 H CA 0.187 56.259 56.048 0.040 0.000 1.078 335 H CB 1.431 31.211 29.762 0.031 0.000 1.248 335 H HN 0.358 nan 8.280 nan 0.000 0.432 336 V N 4.522 124.564 119.914 0.214 0.000 2.250 336 V HA 0.198 4.317 4.120 -0.000 0.000 0.268 336 V C -0.157 176.033 176.094 0.160 0.000 1.043 336 V CA -0.577 61.810 62.300 0.144 0.000 0.814 336 V CB -0.170 31.710 31.823 0.096 0.000 1.072 336 V HN 0.234 nan 8.190 nan 0.000 0.451 337 V N 7.032 127.066 119.914 0.200 0.000 3.141 337 V HA -0.138 3.982 4.120 -0.000 0.000 0.280 337 V C 0.899 177.075 176.094 0.137 0.000 1.388 337 V CA 0.860 63.307 62.300 0.246 0.000 1.417 337 V CB -1.115 30.788 31.823 0.132 0.000 0.805 337 V HN 0.804 nan 8.190 nan 0.000 0.434 338 R N 4.196 124.743 120.500 0.079 0.000 2.810 338 R HA 0.837 5.177 4.340 -0.000 0.000 0.245 338 R C -0.135 176.046 176.300 -0.199 0.000 1.168 338 R CA -1.096 55.011 56.100 0.011 0.000 1.096 338 R CB 1.678 31.952 30.300 -0.043 0.000 1.259 338 R HN 0.811 nan 8.270 nan 0.000 0.518 339 R N 0.516 120.704 120.500 -0.520 0.000 2.604 339 R HA 0.515 4.855 4.340 -0.000 0.000 0.281 339 R C -1.613 174.475 176.300 -0.352 0.000 1.020 339 R CA -0.490 55.298 56.100 -0.519 0.000 0.899 339 R CB 1.220 30.988 30.300 -0.886 0.000 1.205 339 R HN 0.433 nan 8.270 nan 0.000 0.450 340 L N 3.484 124.599 121.223 -0.180 0.000 2.341 340 L HA 0.701 5.041 4.340 -0.000 0.000 0.254 340 L C -1.041 175.829 176.870 0.001 0.000 1.040 340 L CA -0.933 53.871 54.840 -0.060 0.000 0.837 340 L CB 2.144 44.221 42.059 0.029 0.000 1.425 340 L HN 0.786 nan 8.230 nan 0.000 0.414 341 M N -0.519 119.133 119.600 0.087 0.000 2.569 341 M HA 0.701 5.181 4.480 -0.000 0.000 0.279 341 M C -1.215 175.269 176.300 0.306 0.000 1.253 341 M CA -0.589 54.811 55.300 0.166 0.000 0.867 341 M CB 1.839 34.559 32.600 0.200 0.000 1.727 341 M HN 0.469 nan 8.290 nan 0.000 0.467 342 H N 0.054 119.281 119.070 0.261 0.000 2.954 342 H HA 0.855 5.411 4.556 -0.000 0.000 0.361 342 H C -2.118 173.459 175.328 0.416 0.000 1.122 342 H CA -0.596 55.632 56.048 0.300 0.000 1.217 342 H CB 1.457 31.377 29.762 0.263 0.000 1.776 342 H HN 0.846 nan 8.280 nan 0.000 0.533 343 I N 6.323 126.904 120.570 0.018 0.000 2.465 343 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 343 I C -0.653 175.402 176.117 -0.104 0.000 1.014 343 I CA -0.676 60.643 61.300 0.032 0.000 1.093 343 I CB 1.391 39.416 38.000 0.042 0.000 1.267 343 I HN 0.678 nan 8.210 nan 0.000 0.431 344 H N 3.031 122.128 119.070 0.045 0.000 2.990 344 H HA 0.498 5.054 4.556 -0.000 0.000 0.343 344 H C -1.238 174.112 175.328 0.038 0.000 1.270 344 H CA -1.090 54.992 56.048 0.056 0.000 1.118 344 H CB 1.008 30.915 29.762 0.242 0.000 1.861 344 H HN 0.417 nan 8.280 nan 0.000 0.544 345 E N 0.858 121.172 120.200 0.190 0.000 2.392 345 E HA -0.050 4.299 4.350 -0.000 0.000 0.264 345 E C 0.041 176.763 176.600 0.202 0.000 1.024 345 E CA -0.185 56.280 56.400 0.109 0.000 0.903 345 E CB 0.546 30.294 29.700 0.080 0.000 0.963 345 E HN 0.370 nan 8.360 nan 0.000 0.432 346 N N 3.858 122.623 118.700 0.108 0.000 2.555 346 N HA -0.001 4.739 4.740 -0.000 0.000 0.244 346 N C -1.284 174.288 175.510 0.104 0.000 1.114 346 N CA -0.279 52.854 53.050 0.138 0.000 0.963 346 N CB 0.114 38.635 38.487 0.056 0.000 1.276 346 N HN 0.416 nan 8.380 nan 0.000 0.510 347 R N 2.852 123.423 120.500 0.119 0.000 2.668 347 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 347 R C -3.100 173.229 176.300 0.048 0.000 1.019 347 R CA -1.347 54.792 56.100 0.066 0.000 0.894 347 R CB -0.181 30.149 30.300 0.051 0.000 1.228 347 R HN 0.163 nan 8.270 nan 0.000 0.460 348 P HA 0.149 nan 4.420 nan 0.000 0.266 348 P C 0.630 177.929 177.300 -0.002 0.000 1.193 348 P CA 1.753 64.862 63.100 0.015 0.000 0.770 348 P CB 0.396 32.103 31.700 0.011 0.000 0.836 349 G N -0.054 108.736 108.800 -0.018 0.000 2.284 349 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 349 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 349 G C 0.998 175.856 174.900 -0.070 0.000 1.009 349 G CA 0.147 45.227 45.100 -0.034 0.000 0.625 349 G HN 0.387 nan 8.290 nan 0.000 0.501 350 V N 1.077 120.927 119.914 -0.108 0.000 2.295 350 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 350 V C 2.664 178.618 176.094 -0.232 0.000 1.049 350 V CA 2.273 64.445 62.300 -0.213 0.000 1.024 350 V CB -0.578 30.995 31.823 -0.417 0.000 0.648 350 V HN 0.388 nan 8.190 nan 0.000 0.447 351 L N 0.291 121.408 121.223 -0.177 0.000 2.017 351 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 351 L C 2.574 179.395 176.870 -0.081 0.000 1.073 351 L CA 2.515 57.281 54.840 -0.124 0.000 0.745 351 L CB -1.010 41.022 42.059 -0.045 0.000 0.894 351 L HN 0.405 nan 8.230 nan 0.000 0.432 352 T N -0.401 114.116 114.554 -0.061 0.000 2.720 352 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 352 T C 1.908 176.575 174.700 -0.056 0.000 1.037 352 T CA 1.265 63.341 62.100 -0.041 0.000 1.144 352 T CB -0.631 68.218 68.868 -0.033 0.000 0.864 352 T HN 0.475 nan 8.240 nan 0.000 0.444 353 A N 1.104 123.874 122.820 -0.083 0.000 1.933 353 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 353 A C 2.249 179.759 177.584 -0.123 0.000 1.175 353 A CA 1.224 53.203 52.037 -0.096 0.000 0.628 353 A CB -0.698 18.240 19.000 -0.103 0.000 0.814 353 A HN 0.405 nan 8.150 nan 0.000 0.444 354 L N 0.293 121.430 121.223 -0.144 0.000 2.044 354 L HA -0.070 4.269 4.340 -0.000 0.000 0.205 354 L C 1.848 178.701 176.870 -0.028 0.000 1.075 354 L CA 2.270 57.019 54.840 -0.152 0.000 0.747 354 L CB -0.825 41.107 42.059 -0.211 0.000 0.903 354 L HN 0.467 nan 8.230 nan 0.000 0.435 355 N N -0.645 118.074 118.700 0.032 0.000 2.166 355 N HA -0.231 4.509 4.740 -0.000 0.000 0.186 355 N C 1.756 177.318 175.510 0.086 0.000 1.019 355 N CA 1.117 54.247 53.050 0.134 0.000 0.856 355 N CB -0.177 38.353 38.487 0.071 0.000 0.993 355 N HN 0.330 nan 8.380 nan 0.000 0.426 356 K N 1.758 122.150 120.400 -0.013 0.000 2.147 356 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 356 K C 1.764 178.304 176.600 -0.100 0.000 1.049 356 K CA 0.914 57.180 56.287 -0.035 0.000 0.936 356 K CB -0.119 32.352 32.500 -0.049 0.000 0.722 356 K HN 0.193 nan 8.250 nan 0.000 0.446 357 I N 0.678 121.114 120.570 -0.224 0.000 2.502 357 I HA -0.272 3.898 4.170 -0.000 0.000 0.258 357 I C 1.359 177.176 176.117 -0.501 0.000 1.172 357 I CA 1.241 62.289 61.300 -0.421 0.000 1.430 357 I CB -0.168 37.442 38.000 -0.649 0.000 1.086 357 I HN 0.136 nan 8.210 nan 0.000 0.440 358 F N -0.304 119.633 119.950 -0.022 0.000 2.453 358 F HA 0.227 4.754 4.527 -0.000 0.000 0.284 358 F C 2.467 178.260 175.800 -0.012 0.000 1.065 358 F CA 0.603 58.594 58.000 -0.015 0.000 1.411 358 F CB -1.045 37.945 39.000 -0.016 0.000 1.131 358 F HN -0.126 nan 8.300 nan 0.000 0.582 359 A N 1.011 123.917 122.820 0.144 0.000 1.859 359 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 359 A C 2.042 179.651 177.584 0.043 0.000 1.198 359 A CA 2.151 54.234 52.037 0.078 0.000 0.629 359 A CB -1.269 17.759 19.000 0.048 0.000 0.830 359 A HN 0.545 nan 8.150 nan 0.000 0.446 360 E N 0.249 120.456 120.200 0.012 0.000 2.510 360 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 360 E C 1.093 177.693 176.600 0.001 0.000 1.072 360 E CA 1.153 57.551 56.400 -0.003 0.000 0.883 360 E CB -0.315 29.371 29.700 -0.024 0.000 0.818 360 E HN 0.923 nan 8.360 nan 0.000 0.548 361 Q N -1.017 118.794 119.800 0.018 0.000 2.093 361 Q HA 0.277 4.617 4.340 -0.000 0.000 0.217 361 Q C 0.832 176.857 176.000 0.043 0.000 0.785 361 Q CA -0.039 55.777 55.803 0.023 0.000 1.038 361 Q CB 0.696 29.444 28.738 0.017 0.000 1.190 361 Q HN 0.179 nan 8.270 nan 0.000 0.468 362 G N 0.985 109.814 108.800 0.049 0.000 2.198 362 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 362 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 362 G C -0.055 174.881 174.900 0.060 0.000 1.025 362 G CA 0.337 45.465 45.100 0.047 0.000 0.769 362 G HN 0.281 nan 8.290 nan 0.000 0.507 363 V N 0.364 120.339 119.914 0.100 0.000 2.432 363 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 363 V C 0.635 176.765 176.094 0.060 0.000 1.043 363 V CA -0.711 61.650 62.300 0.101 0.000 0.925 363 V CB 1.591 33.529 31.823 0.193 0.000 0.985 363 V HN 0.459 nan 8.190 nan 0.000 0.466 364 N N 4.022 122.727 118.700 0.008 0.000 2.472 364 N HA 0.372 5.112 4.740 -0.000 0.000 0.277 364 N C -0.707 174.759 175.510 -0.073 0.000 1.081 364 N CA -0.215 52.825 53.050 -0.017 0.000 0.973 364 N CB 0.757 39.236 38.487 -0.013 0.000 1.105 364 N HN 0.599 nan 8.380 nan 0.000 0.470 365 I N 3.268 123.793 120.570 -0.075 0.000 2.297 365 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 365 I C 1.118 177.190 176.117 -0.075 0.000 1.033 365 I CA -0.381 60.845 61.300 -0.124 0.000 1.253 365 I CB 1.333 39.263 38.000 -0.116 0.000 1.396 365 I HN 0.706 nan 8.210 nan 0.000 0.476 366 A N 5.554 128.331 122.820 -0.072 0.000 1.854 366 A HA 0.466 4.786 4.320 -0.000 0.000 0.214 366 A C 1.071 178.647 177.584 -0.014 0.000 1.192 366 A CA 1.322 53.340 52.037 -0.032 0.000 0.611 366 A CB 0.025 19.019 19.000 -0.010 0.000 0.832 366 A HN 0.718 nan 8.150 nan 0.000 0.442 367 A N -1.976 120.838 122.820 -0.010 0.000 2.594 367 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 367 A C -0.848 176.737 177.584 0.002 0.000 1.105 367 A CA -0.037 52.009 52.037 0.015 0.000 0.694 367 A CB 1.194 20.238 19.000 0.074 0.000 1.291 367 A HN 0.635 nan 8.150 nan 0.000 0.410 368 Q N -0.192 119.618 119.800 0.016 0.000 2.503 368 Q HA 0.523 4.863 4.340 -0.000 0.000 0.268 368 Q C -2.669 173.367 176.000 0.060 0.000 0.982 368 Q CA -0.543 55.278 55.803 0.030 0.000 0.907 368 Q CB 1.662 30.401 28.738 0.000 0.000 1.467 368 Q HN 0.931 nan 8.270 nan 0.000 0.394 369 Y N 3.025 123.305 120.300 -0.033 0.000 2.354 369 Y HA 0.639 5.189 4.550 -0.000 0.000 0.330 369 Y C -1.997 173.876 175.900 -0.045 0.000 1.011 369 Y CA -0.938 57.147 58.100 -0.025 0.000 1.099 369 Y CB 1.797 40.243 38.460 -0.023 0.000 1.179 369 Y HN 0.688 nan 8.280 nan 0.000 0.442 370 L N 5.527 126.948 121.223 0.331 0.000 2.385 370 L HA 0.725 5.065 4.340 -0.000 0.000 0.273 370 L C -1.493 175.554 176.870 0.294 0.000 0.990 370 L CA -0.337 54.643 54.840 0.233 0.000 0.821 370 L CB 1.828 43.986 42.059 0.165 0.000 1.279 370 L HN 0.639 nan 8.230 nan 0.000 0.412 371 Q N 2.095 122.034 119.800 0.233 0.000 2.413 371 Q HA 0.821 5.161 4.340 -0.000 0.000 0.276 371 Q C -1.246 174.839 176.000 0.141 0.000 1.099 371 Q CA -0.299 55.628 55.803 0.207 0.000 0.814 371 Q CB 2.341 31.203 28.738 0.206 0.000 1.379 371 Q HN 0.827 nan 8.270 nan 0.000 0.436 372 T N -1.146 113.466 114.554 0.097 0.000 2.906 372 T HA 0.852 5.202 4.350 -0.000 0.000 0.295 372 T C -0.371 174.335 174.700 0.011 0.000 1.061 372 T CA -0.503 61.621 62.100 0.041 0.000 1.000 372 T CB 1.282 70.181 68.868 0.052 0.000 1.103 372 T HN 0.617 nan 8.240 nan 0.000 0.486 373 S N 1.178 116.853 115.700 -0.041 0.000 2.747 373 S HA 0.776 5.246 4.470 -0.000 0.000 0.300 373 S C 1.752 176.329 174.600 -0.038 0.000 1.121 373 S CA -0.383 57.789 58.200 -0.048 0.000 0.995 373 S CB 0.876 64.014 63.200 -0.103 0.000 1.113 373 S HN 1.721 nan 8.310 nan 0.000 0.547 374 A N 1.183 123.985 122.820 -0.031 0.000 2.262 374 A HA -0.288 4.032 4.320 -0.000 0.000 0.280 374 A C 1.611 179.178 177.584 -0.030 0.000 3.215 374 A CA 2.500 54.520 52.037 -0.028 0.000 1.023 374 A CB -1.501 17.477 19.000 -0.037 0.000 0.585 374 A HN 0.823 nan 8.150 nan 0.000 0.462 375 Q N -1.263 118.507 119.800 -0.051 0.000 2.141 375 Q HA 0.513 4.853 4.340 -0.000 0.000 0.248 375 Q C -0.434 175.527 176.000 -0.066 0.000 0.834 375 Q CA 0.042 55.820 55.803 -0.041 0.000 1.096 375 Q CB 0.937 29.655 28.738 -0.034 0.000 1.189 375 Q HN 0.753 nan 8.270 nan 0.000 0.471 376 M N -0.502 119.035 119.600 -0.104 0.000 2.433 376 M HA 0.629 5.108 4.480 -0.000 0.000 0.290 376 M C -1.220 174.973 176.300 -0.178 0.000 1.173 376 M CA -0.621 54.575 55.300 -0.173 0.000 0.905 376 M CB 2.404 34.830 32.600 -0.290 0.000 1.692 376 M HN 0.138 nan 8.290 nan 0.000 0.462 377 G N 1.999 110.630 108.800 -0.282 0.000 2.519 377 G HA2 0.678 4.638 3.960 -0.000 0.000 0.307 377 G HA3 0.678 4.638 3.960 -0.000 0.000 0.307 377 G C -2.698 171.977 174.900 -0.375 0.000 1.266 377 G CA -0.189 44.744 45.100 -0.278 0.000 0.970 377 G HN 0.623 nan 8.290 nan 0.000 0.481 378 Y N 0.696 120.880 120.300 -0.193 0.000 2.492 378 Y HA 0.721 5.271 4.550 -0.000 0.000 0.346 378 Y C -1.446 174.539 175.900 0.141 0.000 0.997 378 Y CA -1.593 56.490 58.100 -0.029 0.000 1.025 378 Y CB 2.243 40.750 38.460 0.079 0.000 1.263 378 Y HN 0.646 nan 8.280 nan 0.000 0.454 379 V N 6.404 126.182 119.914 -0.226 0.000 2.891 379 V HA 0.674 4.794 4.120 -0.000 0.000 0.304 379 V C -1.900 174.025 176.094 -0.281 0.000 1.171 379 V CA -0.620 61.547 62.300 -0.222 0.000 0.943 379 V CB 2.207 34.101 31.823 0.117 0.000 1.037 379 V HN 0.629 nan 8.190 nan 0.000 0.427 380 V N 7.409 127.172 119.914 -0.252 0.000 2.495 380 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 380 V C -0.341 175.722 176.094 -0.051 0.000 1.031 380 V CA -0.415 61.794 62.300 -0.151 0.000 0.871 380 V CB 1.776 33.508 31.823 -0.152 0.000 0.988 380 V HN 0.702 nan 8.190 nan 0.000 0.432 381 I N 3.166 123.704 120.570 -0.054 0.000 2.647 381 I HA 0.526 4.695 4.170 -0.000 0.000 0.295 381 I C -1.276 174.766 176.117 -0.125 0.000 1.078 381 I CA -0.678 60.575 61.300 -0.078 0.000 1.048 381 I CB 2.542 40.478 38.000 -0.106 0.000 1.239 381 I HN 0.449 nan 8.210 nan 0.000 0.421 382 D N 6.221 126.553 120.400 -0.113 0.000 2.278 382 D HA 0.676 5.315 4.640 -0.000 0.000 0.245 382 D C -0.658 175.544 176.300 -0.163 0.000 1.052 382 D CA -0.059 53.877 54.000 -0.106 0.000 0.834 382 D CB 2.103 42.897 40.800 -0.011 0.000 1.194 382 D HN 0.462 nan 8.370 nan 0.000 0.481 383 I N -2.360 118.099 120.570 -0.185 0.000 2.994 383 I HA 0.523 4.693 4.170 -0.000 0.000 0.306 383 I C -0.986 175.066 176.117 -0.109 0.000 1.195 383 I CA -1.013 60.151 61.300 -0.226 0.000 1.001 383 I CB 2.598 40.340 38.000 -0.429 0.000 1.244 383 I HN 0.022 nan 8.210 nan 0.000 0.437 384 E N 3.815 123.970 120.200 -0.075 0.000 2.035 384 E HA 0.695 5.044 4.350 -0.000 0.000 0.271 384 E C -0.695 175.902 176.600 -0.005 0.000 0.953 384 E CA -0.622 55.764 56.400 -0.022 0.000 0.777 384 E CB 1.441 31.135 29.700 -0.010 0.000 1.104 384 E HN 0.763 nan 8.360 nan 0.000 0.408 385 A N 3.099 125.924 122.820 0.009 0.000 2.594 385 A HA 0.361 4.680 4.320 -0.000 0.000 0.296 385 A C -1.106 176.501 177.584 0.037 0.000 1.061 385 A CA -1.199 50.857 52.037 0.031 0.000 0.689 385 A CB 1.108 20.139 19.000 0.051 0.000 1.280 385 A HN 0.642 nan 8.150 nan 0.000 0.406 386 D N 0.544 120.967 120.400 0.039 0.000 2.352 386 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 386 D C 0.871 177.198 176.300 0.045 0.000 1.286 386 D CA 0.386 54.410 54.000 0.039 0.000 0.923 386 D CB 0.451 41.271 40.800 0.033 0.000 1.146 386 D HN 0.673 nan 8.370 nan 0.000 0.471 387 E N -0.599 119.628 120.200 0.043 0.000 2.085 387 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 387 E C 1.096 177.724 176.600 0.046 0.000 0.994 387 E CA 1.788 58.216 56.400 0.046 0.000 0.801 387 E CB -0.004 29.721 29.700 0.042 0.000 0.743 387 E HN 0.469 nan 8.360 nan 0.000 0.453 388 D N -0.251 120.174 120.400 0.041 0.000 2.144 388 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 388 D C 2.029 178.356 176.300 0.045 0.000 0.978 388 D CA 0.867 54.890 54.000 0.038 0.000 0.833 388 D CB -0.220 40.598 40.800 0.031 0.000 0.961 388 D HN 0.148 nan 8.370 nan 0.000 0.470 389 V N 1.374 121.320 119.914 0.054 0.000 2.427 389 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 389 V C 2.467 178.620 176.094 0.099 0.000 1.051 389 V CA 1.629 63.971 62.300 0.070 0.000 1.048 389 V CB -0.601 31.271 31.823 0.082 0.000 0.666 389 V HN 0.180 nan 8.190 nan 0.000 0.456 390 A N -0.174 122.705 122.820 0.098 0.000 1.841 390 A HA -0.207 4.113 4.320 -0.000 0.000 0.214 390 A C 2.108 179.745 177.584 0.089 0.000 1.195 390 A CA 1.674 53.780 52.037 0.114 0.000 0.611 390 A CB -0.560 18.486 19.000 0.076 0.000 0.835 390 A HN 0.571 nan 8.150 nan 0.000 0.443 391 E N 0.068 120.306 120.200 0.063 0.000 2.068 391 E HA -0.290 4.060 4.350 -0.000 0.000 0.207 391 E C 2.080 178.708 176.600 0.047 0.000 1.032 391 E CA 1.964 58.395 56.400 0.051 0.000 0.839 391 E CB -0.286 29.438 29.700 0.041 0.000 0.758 391 E HN 0.579 nan 8.360 nan 0.000 0.457 392 K N 0.102 120.526 120.400 0.040 0.000 2.097 392 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 392 K C 2.174 178.778 176.600 0.006 0.000 1.049 392 K CA 1.031 57.331 56.287 0.021 0.000 0.933 392 K CB -0.104 32.404 32.500 0.014 0.000 0.717 392 K HN 0.097 nan 8.250 nan 0.000 0.442 393 A N 1.542 124.373 122.820 0.020 0.000 1.897 393 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 393 A C 2.090 179.669 177.584 -0.009 0.000 1.181 393 A CA 0.824 52.833 52.037 -0.047 0.000 0.620 393 A CB -0.556 18.428 19.000 -0.028 0.000 0.821 393 A HN 0.219 nan 8.150 nan 0.000 0.443 394 L N -0.106 121.157 121.223 0.068 0.000 2.011 394 L HA -0.321 4.018 4.340 -0.000 0.000 0.225 394 L C 2.433 179.335 176.870 0.053 0.000 1.084 394 L CA 2.721 57.610 54.840 0.081 0.000 0.791 394 L CB -0.774 41.333 42.059 0.081 0.000 0.898 394 L HN 0.412 nan 8.230 nan 0.000 0.440 395 Q N -0.254 119.567 119.800 0.034 0.000 2.112 395 Q HA -0.218 4.121 4.340 -0.000 0.000 0.206 395 Q C 2.323 178.330 176.000 0.011 0.000 0.987 395 Q CA 1.987 57.804 55.803 0.024 0.000 0.858 395 Q CB -1.009 27.738 28.738 0.016 0.000 0.905 395 Q HN 0.745 nan 8.270 nan 0.000 0.420 396 A N 0.723 123.532 122.820 -0.018 0.000 1.933 396 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 396 A C 2.146 179.718 177.584 -0.021 0.000 1.175 396 A CA 1.579 53.591 52.037 -0.042 0.000 0.628 396 A CB -0.481 18.458 19.000 -0.101 0.000 0.814 396 A HN 0.359 nan 8.150 nan 0.000 0.444 397 M N -0.801 118.803 119.600 0.007 0.000 2.229 397 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 397 M C 1.967 178.373 176.300 0.176 0.000 1.063 397 M CA 1.554 56.894 55.300 0.067 0.000 1.114 397 M CB -0.538 32.150 32.600 0.147 0.000 1.387 397 M HN 0.308 nan 8.290 nan 0.000 0.420 398 K N 1.167 121.643 120.400 0.128 0.000 2.074 398 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 398 K C 2.028 178.682 176.600 0.090 0.000 1.048 398 K CA 1.640 57.992 56.287 0.107 0.000 0.926 398 K CB -0.364 32.174 32.500 0.064 0.000 0.713 398 K HN 0.327 nan 8.250 nan 0.000 0.444 399 A N 1.106 123.960 122.820 0.057 0.000 2.168 399 A HA -0.000 4.319 4.320 -0.000 0.000 0.215 399 A C 0.905 178.513 177.584 0.040 0.000 1.152 399 A CA 0.321 52.379 52.037 0.036 0.000 0.716 399 A CB -0.492 18.515 19.000 0.012 0.000 0.794 399 A HN 0.162 nan 8.150 nan 0.000 0.465 400 I N 1.247 121.856 120.570 0.064 0.000 2.648 400 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 400 I C -2.250 173.905 176.117 0.064 0.000 1.153 400 I CA -1.723 59.600 61.300 0.039 0.000 1.426 400 I CB 0.933 38.937 38.000 0.006 0.000 1.381 400 I HN 0.050 nan 8.210 nan 0.000 0.571 401 P HA 0.138 nan 4.420 nan 0.000 0.271 401 P C 0.618 177.952 177.300 0.057 0.000 1.226 401 P CA 0.389 63.511 63.100 0.037 0.000 0.765 401 P CB 0.878 32.587 31.700 0.016 0.000 0.835 402 G N 1.844 110.689 108.800 0.075 0.000 2.278 402 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.210 402 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.210 402 G C 0.301 175.294 174.900 0.155 0.000 1.000 402 G CA -0.287 44.879 45.100 0.110 0.000 0.635 402 G HN 0.553 nan 8.290 nan 0.000 0.495 403 T N 1.464 116.114 114.554 0.161 0.000 2.867 403 T HA 0.402 4.752 4.350 -0.000 0.000 0.297 403 T C 1.788 176.495 174.700 0.012 0.000 0.989 403 T CA 0.717 62.879 62.100 0.103 0.000 1.159 403 T CB 1.108 70.052 68.868 0.127 0.000 0.928 403 T HN 0.279 nan 8.240 nan 0.000 0.538 404 I N 1.890 122.429 120.570 -0.052 0.000 2.628 404 I HA 0.238 4.407 4.170 -0.000 0.000 0.255 404 I C 1.319 177.401 176.117 -0.058 0.000 1.119 404 I CA 0.438 61.710 61.300 -0.046 0.000 1.448 404 I CB 0.288 38.258 38.000 -0.049 0.000 1.133 404 I HN 0.447 nan 8.210 nan 0.000 0.438 405 R N 0.293 120.727 120.500 -0.109 0.000 2.687 405 R HA 0.647 4.987 4.340 -0.000 0.000 0.265 405 R C -2.186 174.064 176.300 -0.084 0.000 1.048 405 R CA -0.375 55.690 56.100 -0.058 0.000 0.884 405 R CB 1.825 32.118 30.300 -0.011 0.000 1.258 405 R HN 0.038 nan 8.270 nan 0.000 0.469 406 A N 2.587 125.406 122.820 -0.001 0.000 2.610 406 A HA 0.834 5.154 4.320 -0.000 0.000 0.291 406 A C -1.587 176.044 177.584 0.078 0.000 1.086 406 A CA -0.736 51.342 52.037 0.067 0.000 0.677 406 A CB 1.740 20.822 19.000 0.137 0.000 1.278 406 A HN 0.928 nan 8.150 nan 0.000 0.414 407 R N -0.401 120.155 120.500 0.094 0.000 2.752 407 R HA 0.706 5.046 4.340 -0.000 0.000 0.277 407 R C -2.338 173.992 176.300 0.050 0.000 1.024 407 R CA -0.824 55.315 56.100 0.064 0.000 0.866 407 R CB 0.784 31.109 30.300 0.042 0.000 1.278 407 R HN 1.058 nan 8.270 nan 0.000 0.473 408 L N 2.127 123.368 121.223 0.030 0.000 2.305 408 L HA 0.406 4.745 4.340 -0.000 0.000 0.284 408 L C -0.155 176.705 176.870 -0.016 0.000 1.013 408 L CA -0.504 54.337 54.840 0.002 0.000 0.819 408 L CB 1.635 43.708 42.059 0.024 0.000 1.227 408 L HN 0.838 nan 8.230 nan 0.000 0.417 409 L N 4.790 125.958 121.223 -0.091 0.000 2.189 409 L HA 0.211 4.551 4.340 -0.000 0.000 0.199 409 L C -0.256 176.652 176.870 0.064 0.000 1.074 409 L CA 0.287 55.095 54.840 -0.052 0.000 0.783 409 L CB -0.327 41.645 42.059 -0.145 0.000 0.955 409 L HN 0.687 nan 8.230 nan 0.000 0.460 410 Y N 0.000 120.313 120.300 0.022 0.000 2.660 410 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 410 Y CA 0.000 58.110 58.100 0.017 0.000 1.940 410 Y CB 0.000 38.466 38.460 0.010 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758