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 3q8n_1_B DATA FIRST_RESID 11 DATA SEQUENCE TLTQERRLVT AIPGPISQEL QARKQSAVAA GVGVTLPVYV VAAGGGVLAD DATA SEQUENCE ADGNQLIDFG SGIAVTTVGN SAPAVVDAVT QQVAAFTHTC FMVTPYEGYV DATA SEQUENCE KVAEHLNRLT PGDHEKRTAL FNSGAEAVEN AVKIARAYTR RQAVVVFDHA DATA SEQUENCE YHGRTNLTMA MTAKNQPYKH GFGPFANEVY RVPTSYPFRD GETDGAAAAA DATA SEQUENCE HALDLINKQV GADNVAAVVI EPVHGEGGFV VPAPGFLGAL QKWCTDNGAV DATA SEQUENCE FVADEVQTGF ARTGALFACE HENVVPDLIV TAKGIAGGLP LSAVTGRAEI DATA SEQUENCE MDGPQSGGLG GTYGGNPLAC AAALAVIDTI ERENLVARAR AIGETMLSRL DATA SEQUENCE GALAAADPRI GEVRGRGAMI AVELVKPGTT EPDADLTKRV AAAAHAQGLV DATA SEQUENCE VLTCGTYGNV LRFLPPLSMP DHLLDEGLDI LAAVFAEV 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.706 174.700 0.010 0.000 1.109 11 T CA 0.000 62.104 62.100 0.007 0.000 1.349 11 T CB 0.000 68.871 68.868 0.005 0.000 0.612 12 L N 0.468 121.699 121.223 0.013 0.000 2.313 12 L HA 0.950 5.289 4.340 -0.001 0.000 0.268 12 L C -0.394 176.490 176.870 0.023 0.000 1.010 12 L CA -1.178 53.672 54.840 0.016 0.000 0.814 12 L CB 1.422 43.490 42.059 0.015 0.000 1.304 12 L HN -0.104 nan 8.230 nan 0.000 0.441 13 T N 0.810 115.380 114.554 0.027 0.000 2.869 13 T HA 0.183 4.532 4.350 -0.001 0.000 0.295 13 T C 0.098 174.831 174.700 0.054 0.000 0.987 13 T CA -0.274 61.849 62.100 0.038 0.000 1.109 13 T CB 0.748 69.635 68.868 0.032 0.000 0.932 13 T HN 0.470 nan 8.240 nan 0.000 0.518 14 Q N 2.998 122.849 119.800 0.085 0.000 3.027 14 Q HA 0.292 4.632 4.340 -0.001 0.000 0.260 14 Q C -0.216 175.893 176.000 0.183 0.000 1.379 14 Q CA 0.231 56.104 55.803 0.116 0.000 1.038 14 Q CB -0.028 28.802 28.738 0.153 0.000 1.578 14 Q HN 0.667 nan 8.270 nan 0.000 0.571 15 E N 0.737 121.000 120.200 0.104 0.000 2.321 15 E HA 0.258 4.608 4.350 -0.001 0.000 0.281 15 E C -1.119 175.511 176.600 0.049 0.000 0.910 15 E CA -0.592 55.867 56.400 0.099 0.000 0.770 15 E CB 2.131 31.875 29.700 0.073 0.000 1.225 15 E HN 0.214 nan 8.360 nan 0.000 0.417 16 R N 3.334 123.856 120.500 0.037 0.000 2.347 16 R HA 0.267 4.606 4.340 -0.001 0.000 0.304 16 R C -0.661 175.649 176.300 0.016 0.000 1.072 16 R CA 0.195 56.303 56.100 0.013 0.000 0.980 16 R CB 0.479 30.778 30.300 -0.003 0.000 0.986 16 R HN 0.430 nan 8.270 nan 0.000 0.448 17 R N 4.955 125.462 120.500 0.011 0.000 2.561 17 R HA 0.365 4.704 4.340 -0.001 0.000 0.297 17 R C -0.993 175.310 176.300 0.006 0.000 0.969 17 R CA -0.789 55.317 56.100 0.010 0.000 0.879 17 R CB 1.780 32.087 30.300 0.012 0.000 1.178 17 R HN 0.436 nan 8.270 nan 0.000 0.445 18 L N 3.378 124.604 121.223 0.005 0.000 2.337 18 L HA 0.320 4.660 4.340 -0.001 0.000 0.269 18 L C 0.715 177.588 176.870 0.005 0.000 1.018 18 L CA -0.464 54.379 54.840 0.004 0.000 0.876 18 L CB 1.695 43.755 42.059 0.002 0.000 1.236 18 L HN 0.539 nan 8.230 nan 0.000 0.436 19 V N 0.244 120.162 119.914 0.007 0.000 2.992 19 V HA 0.021 4.141 4.120 -0.001 0.000 0.250 19 V C 1.161 177.258 176.094 0.006 0.000 1.090 19 V CA 1.262 63.566 62.300 0.007 0.000 1.101 19 V CB 0.272 32.099 31.823 0.008 0.000 0.743 19 V HN 0.869 nan 8.190 nan 0.000 0.468 20 T N -2.298 112.261 114.554 0.008 0.000 2.864 20 T HA 0.780 5.129 4.350 -0.001 0.000 0.289 20 T C -0.091 174.614 174.700 0.009 0.000 1.082 20 T CA -0.146 61.959 62.100 0.008 0.000 1.009 20 T CB 1.964 70.838 68.868 0.010 0.000 1.234 20 T HN 0.321 nan 8.240 nan 0.000 0.526 21 A N 0.724 123.549 122.820 0.008 0.000 2.555 21 A HA 0.482 4.801 4.320 -0.001 0.000 0.233 21 A C 0.141 177.733 177.584 0.014 0.000 1.060 21 A CA -0.248 51.795 52.037 0.010 0.000 0.759 21 A CB -0.757 18.248 19.000 0.009 0.000 0.995 21 A HN 0.778 nan 8.150 nan 0.000 0.506 22 I N 3.688 124.268 120.570 0.016 0.000 2.321 22 I HA 0.299 4.469 4.170 -0.001 0.000 0.291 22 I C -1.639 174.494 176.117 0.026 0.000 0.998 22 I CA -1.639 59.673 61.300 0.021 0.000 1.227 22 I CB 1.512 39.524 38.000 0.021 0.000 1.368 22 I HN 0.567 nan 8.210 nan 0.000 0.466 23 P HA 0.266 nan 4.420 nan 0.000 0.278 23 P C 0.077 177.397 177.300 0.033 0.000 1.238 23 P CA -0.285 62.838 63.100 0.039 0.000 0.794 23 P CB 0.955 32.691 31.700 0.060 0.000 0.955 24 G N 1.911 110.731 108.800 0.034 0.000 2.611 24 G HA2 0.245 4.204 3.960 -0.001 0.000 0.273 24 G HA3 0.245 4.204 3.960 -0.001 0.000 0.273 24 G C -1.701 173.211 174.900 0.019 0.000 1.305 24 G CA -0.944 44.170 45.100 0.023 0.000 1.010 24 G HN 0.278 nan 8.290 nan 0.000 0.509 25 P HA -0.008 nan 4.420 nan 0.000 0.217 25 P C 1.863 179.155 177.300 -0.014 0.000 1.151 25 P CA 0.777 63.876 63.100 -0.002 0.000 0.828 25 P CB 0.152 31.850 31.700 -0.004 0.000 0.788 26 I N -1.003 119.559 120.570 -0.013 0.000 2.286 26 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 26 I C 2.192 178.270 176.117 -0.065 0.000 1.104 26 I CA 1.304 62.583 61.300 -0.036 0.000 1.397 26 I CB -0.861 37.126 38.000 -0.021 0.000 1.072 26 I HN -0.099 nan 8.210 nan 0.000 0.417 27 S N 0.364 116.064 115.700 -0.001 0.000 2.383 27 S HA -0.241 4.229 4.470 -0.001 0.000 0.229 27 S C 1.987 176.585 174.600 -0.002 0.000 1.030 27 S CA 1.399 59.637 58.200 0.063 0.000 1.002 27 S CB -0.287 63.034 63.200 0.203 0.000 0.829 27 S HN 0.486 nan 8.310 nan 0.000 0.467 28 Q N 0.512 120.312 119.800 0.000 0.000 2.123 28 Q HA -0.078 4.262 4.340 -0.001 0.000 0.199 28 Q C 2.704 178.672 176.000 -0.053 0.000 0.966 28 Q CA 1.511 57.312 55.803 -0.004 0.000 0.845 28 Q CB -0.439 28.302 28.738 0.005 0.000 0.907 28 Q HN 0.779 nan 8.270 nan 0.000 0.439 29 E N 1.408 121.560 120.200 -0.080 0.000 2.085 29 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 29 E C 1.799 178.291 176.600 -0.179 0.000 0.994 29 E CA 1.239 57.578 56.400 -0.101 0.000 0.801 29 E CB -0.873 28.775 29.700 -0.087 0.000 0.743 29 E HN 0.349 nan 8.360 nan 0.000 0.453 30 L N -0.624 120.402 121.223 -0.328 0.000 2.093 30 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 30 L C 2.978 179.541 176.870 -0.511 0.000 1.085 30 L CA 1.507 55.980 54.840 -0.611 0.000 0.755 30 L CB -0.080 41.226 42.059 -1.255 0.000 0.904 30 L HN 0.326 nan 8.230 nan 0.000 0.435 31 Q N 0.336 119.976 119.800 -0.267 0.000 2.119 31 Q HA -0.126 4.213 4.340 -0.001 0.000 0.201 31 Q C 2.197 178.204 176.000 0.012 0.000 0.972 31 Q CA 1.834 57.667 55.803 0.051 0.000 0.847 31 Q CB -0.194 28.645 28.738 0.169 0.000 0.903 31 Q HN 0.418 nan 8.270 nan 0.000 0.433 32 A N 0.426 123.228 122.820 -0.030 0.000 1.902 32 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 32 A C 2.103 179.673 177.584 -0.023 0.000 1.181 32 A CA 1.604 53.630 52.037 -0.018 0.000 0.623 32 A CB -0.495 18.489 19.000 -0.025 0.000 0.818 32 A HN 0.403 nan 8.150 nan 0.000 0.443 33 R N -0.557 119.910 120.500 -0.055 0.000 2.105 33 R HA -0.134 4.205 4.340 -0.001 0.000 0.239 33 R C 2.361 178.655 176.300 -0.009 0.000 1.135 33 R CA 1.438 57.511 56.100 -0.045 0.000 0.967 33 R CB -0.234 30.018 30.300 -0.079 0.000 0.861 33 R HN 0.438 nan 8.270 nan 0.000 0.442 34 K N 1.518 121.927 120.400 0.015 0.000 2.057 34 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 34 K C 1.758 178.390 176.600 0.053 0.000 1.049 34 K CA 1.749 58.079 56.287 0.071 0.000 0.931 34 K CB 0.059 32.659 32.500 0.166 0.000 0.714 34 K HN 0.363 nan 8.250 nan 0.000 0.440 35 Q N -0.304 119.521 119.800 0.042 0.000 2.230 35 Q HA -0.001 4.339 4.340 -0.001 0.000 0.202 35 Q C 1.973 177.988 176.000 0.025 0.000 0.963 35 Q CA 1.215 57.039 55.803 0.035 0.000 0.866 35 Q CB 0.023 28.779 28.738 0.031 0.000 0.931 35 Q HN 0.167 nan 8.270 nan 0.000 0.452 36 S N 0.276 115.986 115.700 0.017 0.000 2.515 36 S HA 0.056 4.525 4.470 -0.001 0.000 0.231 36 S C 1.590 176.199 174.600 0.015 0.000 0.987 36 S CA 0.820 59.027 58.200 0.013 0.000 0.936 36 S CB 0.169 63.372 63.200 0.005 0.000 0.766 36 S HN 0.487 nan 8.310 nan 0.000 0.528 37 A N 0.132 122.964 122.820 0.021 0.000 2.066 37 A HA 0.483 4.803 4.320 -0.001 0.000 0.198 37 A C 0.513 178.114 177.584 0.028 0.000 1.405 37 A CA -0.000 52.050 52.037 0.022 0.000 0.973 37 A CB 0.589 19.601 19.000 0.020 0.000 1.026 37 A HN 0.225 nan 8.150 nan 0.000 0.474 38 V N 1.030 120.965 119.914 0.035 0.000 2.547 38 V HA 0.644 4.763 4.120 -0.001 0.000 0.299 38 V C 0.713 176.830 176.094 0.038 0.000 1.040 38 V CA -0.831 61.492 62.300 0.039 0.000 0.913 38 V CB 1.201 33.053 31.823 0.048 0.000 0.992 38 V HN 0.509 nan 8.190 nan 0.000 0.449 39 A N 3.210 126.052 122.820 0.037 0.000 2.565 39 A HA 0.428 4.748 4.320 -0.001 0.000 0.237 39 A C 1.585 179.195 177.584 0.044 0.000 1.053 39 A CA 0.538 52.599 52.037 0.040 0.000 0.755 39 A CB 0.109 19.134 19.000 0.041 0.000 0.980 39 A HN 1.478 nan 8.150 nan 0.000 0.506 40 A N 2.765 125.613 122.820 0.046 0.000 2.070 40 A HA 0.086 4.406 4.320 -0.001 0.000 0.220 40 A C 2.186 179.803 177.584 0.055 0.000 1.159 40 A CA 2.000 54.065 52.037 0.046 0.000 0.656 40 A CB -0.976 18.050 19.000 0.043 0.000 0.800 40 A HN 1.481 nan 8.150 nan 0.000 0.453 41 G N -0.576 108.264 108.800 0.067 0.000 2.462 41 G HA2 0.033 3.992 3.960 -0.001 0.000 0.220 41 G HA3 0.033 3.992 3.960 -0.001 0.000 0.220 41 G C 0.634 175.576 174.900 0.070 0.000 1.121 41 G CA 0.939 46.090 45.100 0.085 0.000 0.758 41 G HN 0.355 nan 8.290 nan 0.000 0.559 42 V N 1.998 121.944 119.914 0.054 0.000 2.287 42 V HA 0.474 4.593 4.120 -0.001 0.000 0.246 42 V C 1.080 177.196 176.094 0.037 0.000 1.165 42 V CA -0.464 61.863 62.300 0.044 0.000 1.088 42 V CB 0.110 31.956 31.823 0.038 0.000 1.242 42 V HN 0.226 nan 8.190 nan 0.000 0.497 43 G N 3.391 112.212 108.800 0.034 0.000 2.415 43 G HA2 0.492 4.451 3.960 -0.001 0.000 0.269 43 G HA3 0.492 4.451 3.960 -0.001 0.000 0.269 43 G C -0.619 174.285 174.900 0.007 0.000 1.209 43 G CA -0.325 44.789 45.100 0.022 0.000 0.835 43 G HN 0.456 nan 8.290 nan 0.000 0.534 44 V N 2.394 122.307 119.914 -0.001 0.000 2.357 44 V HA 0.190 4.309 4.120 -0.001 0.000 0.284 44 V C 1.197 177.274 176.094 -0.030 0.000 1.018 44 V CA -0.349 61.934 62.300 -0.028 0.000 0.841 44 V CB 1.183 32.984 31.823 -0.038 0.000 0.991 44 V HN 0.890 nan 8.190 nan 0.000 0.437 45 T N 4.606 119.134 114.554 -0.044 0.000 2.737 45 T HA -0.020 4.329 4.350 -0.001 0.000 0.265 45 T C 0.453 175.108 174.700 -0.076 0.000 1.038 45 T CA 1.335 63.413 62.100 -0.038 0.000 1.144 45 T CB -0.067 68.776 68.868 -0.042 0.000 0.866 45 T HN 0.290 nan 8.240 nan 0.000 0.434 46 L N 3.043 124.178 121.223 -0.148 0.000 2.485 46 L HA 0.398 4.738 4.340 -0.001 0.000 0.260 46 L C -2.525 174.258 176.870 -0.146 0.000 0.998 46 L CA -2.093 52.637 54.840 -0.184 0.000 0.883 46 L CB 1.682 43.518 42.059 -0.372 0.000 1.196 46 L HN -0.176 nan 8.230 nan 0.000 0.443 47 P HA 0.101 nan 4.420 nan 0.000 0.225 47 P C -0.532 176.768 177.300 0.000 0.000 1.768 47 P CA 0.039 63.104 63.100 -0.059 0.000 0.943 47 P CB -0.028 31.710 31.700 0.063 0.000 1.936 48 V N -0.939 118.923 119.914 -0.086 0.000 2.398 48 V HA 0.444 4.564 4.120 -0.001 0.000 0.286 48 V C -0.602 175.427 176.094 -0.109 0.000 1.026 48 V CA -1.173 61.124 62.300 -0.005 0.000 0.868 48 V CB 0.555 32.366 31.823 -0.021 0.000 0.982 48 V HN -0.012 nan 8.190 nan 0.000 0.443 49 Y N 3.570 123.860 120.300 -0.016 0.000 2.436 49 Y HA 0.472 5.022 4.550 -0.001 0.000 0.343 49 Y C 0.653 176.546 175.900 -0.012 0.000 1.008 49 Y CA -0.130 57.962 58.100 -0.013 0.000 1.241 49 Y CB 1.346 39.800 38.460 -0.009 0.000 1.153 49 Y HN 0.594 nan 8.280 nan 0.000 0.521 50 V N 5.524 125.445 119.914 0.012 0.000 2.530 50 V HA 0.075 4.195 4.120 -0.001 0.000 0.282 50 V C 0.738 176.855 176.094 0.040 0.000 1.048 50 V CA 0.018 62.324 62.300 0.009 0.000 0.997 50 V CB 1.101 32.904 31.823 -0.033 0.000 0.987 50 V HN 0.783 nan 8.190 nan 0.000 0.477 51 V N 1.441 121.375 119.914 0.034 0.000 3.604 51 V HA 0.816 4.935 4.120 -0.001 0.000 0.277 51 V C 0.418 176.521 176.094 0.016 0.000 1.399 51 V CA 0.614 62.932 62.300 0.030 0.000 1.034 51 V CB 0.175 32.017 31.823 0.031 0.000 0.824 51 V HN 0.979 nan 8.190 nan 0.000 0.439 52 A N -0.306 122.521 122.820 0.011 0.000 2.608 52 A HA 0.983 5.302 4.320 -0.001 0.000 0.292 52 A C -0.815 176.771 177.584 0.004 0.000 1.066 52 A CA -0.035 52.006 52.037 0.006 0.000 0.676 52 A CB 1.404 20.408 19.000 0.008 0.000 1.277 52 A HN 1.800 nan 8.150 nan 0.000 0.413 53 A N -0.328 122.493 122.820 0.001 0.000 2.589 53 A HA 0.982 5.302 4.320 -0.001 0.000 0.296 53 A C -0.311 177.274 177.584 0.002 0.000 1.062 53 A CA 0.003 52.041 52.037 0.001 0.000 0.686 53 A CB 1.463 20.462 19.000 -0.003 0.000 1.282 53 A HN 2.676 nan 8.150 nan 0.000 0.404 54 G N -0.562 108.241 108.800 0.005 0.000 2.633 54 G HA2 0.706 4.666 3.960 -0.001 0.000 0.299 54 G HA3 0.706 4.666 3.960 -0.001 0.000 0.299 54 G C 0.514 175.419 174.900 0.010 0.000 1.501 54 G CA 1.128 46.232 45.100 0.006 0.000 0.887 54 G HN 2.544 nan 8.290 nan 0.000 0.561 55 G N 0.902 109.706 108.800 0.007 0.000 2.846 55 G HA2 0.141 4.101 3.960 -0.001 0.000 0.317 55 G HA3 0.141 4.101 3.960 -0.001 0.000 0.317 55 G C 1.244 176.149 174.900 0.008 0.000 1.210 55 G CA 1.411 46.516 45.100 0.008 0.000 0.972 55 G HN 2.264 nan 8.290 nan 0.000 0.567 56 G N -0.758 108.047 108.800 0.009 0.000 3.735 56 G HA2 0.573 4.532 3.960 -0.001 0.000 0.283 56 G HA3 0.573 4.532 3.960 -0.001 0.000 0.283 56 G C -0.357 174.562 174.900 0.033 0.000 1.007 56 G CA 1.034 46.147 45.100 0.022 0.000 0.821 56 G HN 1.204 nan 8.290 nan 0.000 0.505 57 V N 0.984 120.911 119.914 0.022 0.000 2.680 57 V HA 0.563 4.682 4.120 -0.001 0.000 0.309 57 V C -0.672 175.431 176.094 0.015 0.000 1.052 57 V CA -0.745 61.566 62.300 0.019 0.000 0.908 57 V CB 2.241 34.074 31.823 0.017 0.000 1.001 57 V HN 0.141 nan 8.190 nan 0.000 0.431 58 L N 3.855 125.084 121.223 0.010 0.000 2.325 58 L HA 0.804 5.143 4.340 -0.001 0.000 0.281 58 L C 0.200 177.072 176.870 0.003 0.000 1.004 58 L CA -0.463 54.379 54.840 0.002 0.000 0.823 58 L CB 1.756 43.810 42.059 -0.007 0.000 1.236 58 L HN 0.728 nan 8.230 nan 0.000 0.415 59 A N 2.140 124.964 122.820 0.006 0.000 2.290 59 A HA 0.603 4.922 4.320 -0.001 0.000 0.310 59 A C -0.689 176.904 177.584 0.014 0.000 1.202 59 A CA -0.570 51.473 52.037 0.011 0.000 0.837 59 A CB 0.576 19.584 19.000 0.013 0.000 1.139 59 A HN 0.738 nan 8.150 nan 0.000 0.509 60 D N 1.314 121.726 120.400 0.020 0.000 2.487 60 D HA 0.517 5.157 4.640 -0.001 0.000 0.262 60 D C 0.838 177.165 176.300 0.044 0.000 1.130 60 D CA -0.026 53.995 54.000 0.036 0.000 1.038 60 D CB 1.170 41.992 40.800 0.037 0.000 1.142 60 D HN 0.347 nan 8.370 nan 0.000 0.575 61 A N -0.421 122.440 122.820 0.068 0.000 2.168 61 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 61 A C 1.095 178.698 177.584 0.032 0.000 1.152 61 A CA 0.870 52.938 52.037 0.052 0.000 0.716 61 A CB -0.431 18.605 19.000 0.061 0.000 0.794 61 A HN 0.564 nan 8.150 nan 0.000 0.465 62 D N -1.429 118.990 120.400 0.033 0.000 2.369 62 D HA 0.248 4.888 4.640 -0.001 0.000 0.211 62 D C 1.235 177.545 176.300 0.017 0.000 1.077 62 D CA 0.894 54.907 54.000 0.021 0.000 0.842 62 D CB 0.452 41.266 40.800 0.022 0.000 0.947 62 D HN 0.541 nan 8.370 nan 0.000 0.509 63 G N 1.569 110.380 108.800 0.018 0.000 2.157 63 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.239 63 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.239 63 G C 0.238 175.147 174.900 0.014 0.000 0.982 63 G CA -0.452 44.657 45.100 0.014 0.000 0.650 63 G HN 0.179 nan 8.290 nan 0.000 0.527 64 N N 0.713 119.422 118.700 0.015 0.000 2.525 64 N HA 0.394 5.133 4.740 -0.001 0.000 0.271 64 N C 0.092 175.608 175.510 0.010 0.000 1.194 64 N CA 0.349 53.406 53.050 0.012 0.000 0.964 64 N CB 0.652 39.146 38.487 0.011 0.000 1.126 64 N HN 0.520 nan 8.380 nan 0.000 0.452 65 Q N 1.403 121.208 119.800 0.008 0.000 2.327 65 Q HA 0.454 4.793 4.340 -0.001 0.000 0.270 65 Q C -0.988 175.013 176.000 0.002 0.000 1.022 65 Q CA -0.628 55.179 55.803 0.008 0.000 0.773 65 Q CB 1.698 30.444 28.738 0.013 0.000 1.251 65 Q HN 0.329 nan 8.270 nan 0.000 0.457 66 L N 2.427 123.648 121.223 -0.003 0.000 2.334 66 L HA 0.529 4.868 4.340 -0.001 0.000 0.272 66 L C -0.275 176.591 176.870 -0.007 0.000 1.020 66 L CA -0.444 54.389 54.840 -0.011 0.000 0.812 66 L CB 1.264 43.313 42.059 -0.017 0.000 1.264 66 L HN 0.525 nan 8.230 nan 0.000 0.439 67 I N 1.339 121.894 120.570 -0.024 0.000 2.395 67 I HA 0.116 4.285 4.170 -0.001 0.000 0.289 67 I C -0.304 175.844 176.117 0.051 0.000 1.023 67 I CA -0.131 61.164 61.300 -0.007 0.000 1.350 67 I CB 1.008 38.954 38.000 -0.089 0.000 1.409 67 I HN 0.543 nan 8.210 nan 0.000 0.507 68 D N 6.206 126.689 120.400 0.139 0.000 2.428 68 D HA 0.182 4.822 4.640 -0.001 0.000 0.221 68 D C -0.055 176.466 176.300 0.368 0.000 1.123 68 D CA -0.109 53.996 54.000 0.176 0.000 0.869 68 D CB 0.433 41.291 40.800 0.097 0.000 1.032 68 D HN 0.210 nan 8.370 nan 0.000 0.506 69 F N 1.582 121.568 119.950 0.061 0.000 2.641 69 F HA 0.355 4.882 4.527 -0.001 0.000 0.302 69 F C 1.898 177.772 175.800 0.124 0.000 1.098 69 F CA -0.408 57.658 58.000 0.109 0.000 1.318 69 F CB 0.909 40.010 39.000 0.168 0.000 1.035 69 F HN 0.507 nan 8.300 nan 0.000 0.551 70 G N -1.858 107.073 108.800 0.217 0.000 2.848 70 G HA2 0.035 3.994 3.960 -0.001 0.000 0.213 70 G HA3 0.035 3.994 3.960 -0.001 0.000 0.213 70 G C 0.923 175.871 174.900 0.081 0.000 1.101 70 G CA 0.413 45.590 45.100 0.128 0.000 0.778 70 G HN 0.032 nan 8.290 nan 0.000 0.536 71 S N -0.436 115.304 115.700 0.066 0.000 3.477 71 S HA -0.169 4.301 4.470 -0.001 0.000 0.357 71 S C 1.646 176.260 174.600 0.022 0.000 1.083 71 S CA 1.292 59.513 58.200 0.035 0.000 1.042 71 S CB -1.621 61.596 63.200 0.028 0.000 0.911 71 S HN 2.030 nan 8.310 nan 0.000 0.490 72 G N 0.696 109.507 108.800 0.018 0.000 2.390 72 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.299 72 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.299 72 G C 0.380 175.288 174.900 0.014 0.000 1.002 72 G CA 0.286 45.389 45.100 0.005 0.000 0.979 72 G HN 1.566 nan 8.290 nan 0.000 0.513 73 I N -3.495 117.093 120.570 0.030 0.000 6.027 73 I HA -0.216 3.953 4.170 -0.001 0.000 0.126 73 I C 1.323 177.468 176.117 0.046 0.000 1.820 73 I CA 0.446 61.772 61.300 0.042 0.000 2.038 73 I CB -1.832 36.186 38.000 0.029 0.000 3.426 73 I HN 2.218 nan 8.210 nan 0.000 0.169 74 A N -0.281 122.567 122.820 0.047 0.000 2.996 74 A HA -0.164 4.155 4.320 -0.001 0.000 0.257 74 A C 0.902 178.496 177.584 0.016 0.000 1.394 74 A CA 1.106 53.164 52.037 0.036 0.000 0.820 74 A CB -1.845 17.179 19.000 0.040 0.000 1.054 74 A HN 0.677 nan 8.150 nan 0.000 0.619 75 V N -0.395 119.523 119.914 0.006 0.000 2.690 75 V HA 0.018 4.137 4.120 -0.001 0.000 0.240 75 V C 1.953 178.031 176.094 -0.026 0.000 1.078 75 V CA 2.029 64.320 62.300 -0.014 0.000 1.102 75 V CB 0.124 31.938 31.823 -0.015 0.000 0.800 75 V HN 1.201 nan 8.190 nan 0.000 0.479 76 T N -1.951 112.593 114.554 -0.016 0.000 3.341 76 T HA 0.058 4.408 4.350 -0.001 0.000 0.234 76 T C 1.181 175.872 174.700 -0.016 0.000 0.890 76 T CA 0.398 62.486 62.100 -0.020 0.000 0.952 76 T CB -0.118 68.741 68.868 -0.015 0.000 1.146 76 T HN 0.313 nan 8.240 nan 0.000 0.591 77 T N 1.803 116.347 114.554 -0.017 0.000 2.699 77 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 77 T C 2.093 176.784 174.700 -0.015 0.000 1.036 77 T CA 1.858 63.950 62.100 -0.013 0.000 1.147 77 T CB -0.413 68.452 68.868 -0.004 0.000 0.862 77 T HN 0.683 nan 8.240 nan 0.000 0.446 78 V N -1.263 118.639 119.914 -0.020 0.000 3.573 78 V HA 0.558 4.678 4.120 -0.001 0.000 0.270 78 V C 0.945 177.029 176.094 -0.017 0.000 1.221 78 V CA 0.144 62.433 62.300 -0.018 0.000 1.163 78 V CB -1.365 30.445 31.823 -0.022 0.000 0.847 78 V HN 0.674 nan 8.190 nan 0.000 0.468 79 G N 0.209 108.999 108.800 -0.016 0.000 2.587 79 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.686 79 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.686 79 G C -0.798 174.093 174.900 -0.015 0.000 1.236 79 G CA -0.334 44.758 45.100 -0.012 0.000 0.820 79 G HN 0.439 nan 8.290 nan 0.000 0.645 80 N N 0.244 118.938 118.700 -0.010 0.000 2.520 80 N HA 0.378 5.118 4.740 -0.001 0.000 0.273 80 N C 1.055 176.556 175.510 -0.014 0.000 1.155 80 N CA 0.964 54.006 53.050 -0.013 0.000 0.967 80 N CB 0.712 39.194 38.487 -0.008 0.000 1.092 80 N HN 1.184 nan 8.380 nan 0.000 0.457 81 S N 0.044 115.732 115.700 -0.020 0.000 3.477 81 S HA -0.211 4.259 4.470 -0.001 0.000 0.371 81 S C 0.089 174.678 174.600 -0.018 0.000 0.965 81 S CA 0.531 58.719 58.200 -0.020 0.000 1.239 81 S CB -1.332 61.859 63.200 -0.015 0.000 0.918 81 S HN 0.782 nan 8.310 nan 0.000 0.498 82 A N 1.910 124.717 122.820 -0.022 0.000 2.511 82 A HA 0.428 4.747 4.320 -0.001 0.000 0.242 82 A C -0.040 177.532 177.584 -0.020 0.000 1.069 82 A CA -0.810 51.216 52.037 -0.019 0.000 0.763 82 A CB 0.184 19.170 19.000 -0.023 0.000 1.001 82 A HN 0.345 nan 8.150 nan 0.000 0.498 83 P HA -0.188 nan 4.420 nan 0.000 0.216 83 P C 1.445 178.735 177.300 -0.018 0.000 1.150 83 P CA 2.060 65.152 63.100 -0.014 0.000 0.837 83 P CB 0.062 31.757 31.700 -0.009 0.000 0.786 84 A N -0.158 122.651 122.820 -0.019 0.000 1.930 84 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 84 A C 2.462 180.027 177.584 -0.031 0.000 1.175 84 A CA 1.613 53.636 52.037 -0.022 0.000 0.627 84 A CB -1.586 17.401 19.000 -0.021 0.000 0.815 84 A HN 0.060 nan 8.150 nan 0.000 0.443 85 V N -0.394 119.499 119.914 -0.035 0.000 2.358 85 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 85 V C 2.583 178.651 176.094 -0.043 0.000 1.047 85 V CA 1.897 64.170 62.300 -0.045 0.000 1.035 85 V CB -0.689 31.105 31.823 -0.048 0.000 0.658 85 V HN 0.373 nan 8.190 nan 0.000 0.452 86 V N 0.368 120.261 119.914 -0.035 0.000 2.255 86 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 86 V C 2.299 178.373 176.094 -0.032 0.000 1.051 86 V CA 2.327 64.608 62.300 -0.032 0.000 1.018 86 V CB -0.782 31.027 31.823 -0.024 0.000 0.641 86 V HN 0.542 nan 8.190 nan 0.000 0.445 87 D N 0.581 120.963 120.400 -0.028 0.000 2.104 87 D HA -0.156 4.484 4.640 -0.001 0.000 0.194 87 D C 2.214 178.493 176.300 -0.035 0.000 0.994 87 D CA 1.798 55.782 54.000 -0.027 0.000 0.830 87 D CB -0.534 40.254 40.800 -0.021 0.000 0.959 87 D HN 0.439 nan 8.370 nan 0.000 0.452 88 A N 0.385 123.180 122.820 -0.041 0.000 1.902 88 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 88 A C 2.490 180.035 177.584 -0.066 0.000 1.181 88 A CA 1.316 53.322 52.037 -0.051 0.000 0.623 88 A CB -0.675 18.293 19.000 -0.054 0.000 0.818 88 A HN 0.170 nan 8.150 nan 0.000 0.443 89 V N 0.371 120.246 119.914 -0.065 0.000 2.488 89 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 89 V C 2.982 179.032 176.094 -0.072 0.000 1.046 89 V CA 2.288 64.542 62.300 -0.076 0.000 1.053 89 V CB -1.087 30.696 31.823 -0.067 0.000 0.679 89 V HN 0.848 nan 8.190 nan 0.000 0.458 90 T N -2.154 112.368 114.554 -0.054 0.000 2.867 90 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 90 T C 1.772 176.443 174.700 -0.048 0.000 1.057 90 T CA 1.102 63.175 62.100 -0.045 0.000 1.136 90 T CB -0.226 68.623 68.868 -0.032 0.000 0.874 90 T HN 0.465 nan 8.240 nan 0.000 0.466 91 Q N 0.638 120.408 119.800 -0.051 0.000 2.046 91 Q HA -0.112 4.227 4.340 -0.001 0.000 0.200 91 Q C 2.489 178.441 176.000 -0.080 0.000 0.975 91 Q CA 1.647 57.419 55.803 -0.050 0.000 0.836 91 Q CB -0.422 28.290 28.738 -0.042 0.000 0.896 91 Q HN 0.530 nan 8.270 nan 0.000 0.428 92 Q N 1.074 120.802 119.800 -0.120 0.000 2.050 92 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 92 Q C 2.005 177.877 176.000 -0.214 0.000 0.980 92 Q CA 1.335 57.010 55.803 -0.214 0.000 0.840 92 Q CB -0.644 27.937 28.738 -0.263 0.000 0.898 92 Q HN 0.201 nan 8.270 nan 0.000 0.424 93 V N 0.308 120.136 119.914 -0.144 0.000 2.453 93 V HA -0.254 3.865 4.120 -0.001 0.000 0.252 93 V C 1.906 177.960 176.094 -0.065 0.000 1.068 93 V CA 2.176 64.413 62.300 -0.105 0.000 1.070 93 V CB -0.746 31.035 31.823 -0.070 0.000 0.664 93 V HN 0.512 nan 8.190 nan 0.000 0.461 94 A N -1.195 121.594 122.820 -0.052 0.000 2.119 94 A HA 0.299 4.618 4.320 -0.001 0.000 0.216 94 A C 2.228 179.817 177.584 0.009 0.000 1.152 94 A CA 1.457 53.484 52.037 -0.016 0.000 0.708 94 A CB -0.433 18.560 19.000 -0.011 0.000 0.805 94 A HN 0.711 nan 8.150 nan 0.000 0.460 95 A N -0.222 122.590 122.820 -0.013 0.000 1.844 95 A HA 0.482 4.802 4.320 -0.001 0.000 0.212 95 A C 0.562 178.283 177.584 0.230 0.000 1.221 95 A CA 1.272 53.359 52.037 0.083 0.000 0.607 95 A CB -0.219 18.811 19.000 0.050 0.000 0.878 95 A HN 1.118 nan 8.150 nan 0.000 0.451 96 F N -4.092 115.836 119.950 -0.037 0.000 2.688 96 F HA 0.493 5.019 4.527 -0.001 0.000 0.308 96 F C 0.451 176.221 175.800 -0.051 0.000 1.117 96 F CA -0.214 57.761 58.000 -0.042 0.000 0.976 96 F CB 0.537 39.502 39.000 -0.059 0.000 1.291 96 F HN -0.008 nan 8.300 nan 0.000 0.439 97 T N -2.226 112.406 114.554 0.130 0.000 3.039 97 T HA 0.266 4.616 4.350 -0.001 0.000 0.250 97 T C -0.097 174.710 174.700 0.179 0.000 1.052 97 T CA 1.398 63.537 62.100 0.064 0.000 1.125 97 T CB -0.408 68.506 68.868 0.077 0.000 0.908 97 T HN 1.082 nan 8.240 nan 0.000 0.473 98 H N -0.322 118.852 119.070 0.172 0.000 3.156 98 H HA 0.399 4.954 4.556 -0.001 0.000 0.319 98 H C 0.308 175.752 175.328 0.193 0.000 1.067 98 H CA 0.148 56.308 56.048 0.187 0.000 1.417 98 H CB 1.232 31.110 29.762 0.193 0.000 2.050 98 H HN 0.024 nan 8.280 nan 0.000 0.473 99 T N 1.002 115.375 114.554 -0.302 0.000 2.971 99 T HA 0.123 4.472 4.350 -0.001 0.000 0.252 99 T C 0.547 175.027 174.700 -0.367 0.000 1.022 99 T CA 0.426 62.392 62.100 -0.224 0.000 0.980 99 T CB -0.481 68.341 68.868 -0.077 0.000 1.044 99 T HN 1.078 nan 8.240 nan 0.000 0.501 100 C N 1.622 120.500 119.300 -0.704 0.000 1.695 100 C HA -0.195 4.264 4.460 -0.001 0.000 0.241 100 C C 1.021 176.053 174.990 0.070 0.000 0.721 100 C CA -0.471 58.462 59.018 -0.141 0.000 3.186 100 C CB -2.706 25.056 27.740 0.037 0.000 1.807 100 C HN 0.689 nan 8.230 nan 0.000 0.272 101 F N 4.304 124.271 119.950 0.028 0.000 2.202 101 F HA -0.099 4.427 4.527 -0.001 0.000 0.301 101 F C 1.934 177.598 175.800 -0.227 0.000 1.082 101 F CA 2.504 60.373 58.000 -0.217 0.000 1.313 101 F CB -0.065 38.623 39.000 -0.521 0.000 1.024 101 F HN 0.724 nan 8.300 nan 0.000 0.495 102 M N -1.091 118.497 119.600 -0.019 0.000 2.562 102 M HA -0.073 4.406 4.480 -0.001 0.000 0.257 102 M C 1.498 177.729 176.300 -0.115 0.000 1.099 102 M CA 0.307 55.564 55.300 -0.073 0.000 1.099 102 M CB -0.054 32.570 32.600 0.039 0.000 1.427 102 M HN 0.039 nan 8.290 nan 0.000 0.489 103 V N -0.871 118.979 119.914 -0.107 0.000 2.465 103 V HA 0.019 4.138 4.120 -0.001 0.000 0.230 103 V C 1.076 177.073 176.094 -0.161 0.000 1.084 103 V CA 1.338 63.580 62.300 -0.097 0.000 1.092 103 V CB -0.178 31.619 31.823 -0.044 0.000 0.730 103 V HN 0.449 nan 8.190 nan 0.000 0.491 104 T N -0.294 114.156 114.554 -0.173 0.000 2.812 104 T HA 0.598 4.947 4.350 -0.001 0.000 0.282 104 T C -2.758 171.773 174.700 -0.283 0.000 0.990 104 T CA -1.862 60.109 62.100 -0.215 0.000 0.960 104 T CB 2.402 71.179 68.868 -0.153 0.000 0.948 104 T HN 0.165 nan 8.240 nan 0.000 0.438 105 P HA 0.549 nan 4.420 nan 0.000 0.306 105 P C -1.391 175.787 177.300 -0.204 0.000 1.309 105 P CA -0.581 62.006 63.100 -0.855 0.000 0.759 105 P CB 0.490 31.327 31.700 -1.438 0.000 1.314 106 Y N -5.163 115.163 120.300 0.043 0.000 2.624 106 Y HA 0.418 4.968 4.550 -0.001 0.000 0.334 106 Y C 1.232 177.319 175.900 0.311 0.000 1.155 106 Y CA -0.986 57.233 58.100 0.198 0.000 1.046 106 Y CB 0.319 39.002 38.460 0.370 0.000 1.316 106 Y HN 0.387 nan 8.280 nan 0.000 0.457 107 E N 1.105 121.547 120.200 0.404 0.000 2.208 107 E HA -0.018 4.331 4.350 -0.001 0.000 0.193 107 E C 1.930 178.709 176.600 0.299 0.000 0.988 107 E CA 1.230 57.799 56.400 0.280 0.000 0.828 107 E CB -0.297 29.527 29.700 0.207 0.000 0.763 107 E HN 1.062 nan 8.360 nan 0.000 0.478 108 G N 0.269 109.310 108.800 0.403 0.000 2.442 108 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.219 108 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.219 108 G C 1.364 176.420 174.900 0.259 0.000 1.141 108 G CA 1.025 46.308 45.100 0.304 0.000 0.763 108 G HN 0.456 nan 8.290 nan 0.000 0.554 109 Y N 0.605 120.978 120.300 0.122 0.000 2.200 109 Y HA -0.079 4.471 4.550 -0.001 0.000 0.290 109 Y C 2.837 178.632 175.900 -0.175 0.000 1.137 109 Y CA 1.170 59.172 58.100 -0.163 0.000 1.163 109 Y CB 0.062 38.129 38.460 -0.655 0.000 0.988 109 Y HN 0.049 nan 8.280 nan 0.000 0.518 110 V N 0.969 121.035 119.914 0.253 0.000 2.343 110 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 110 V C 2.144 178.324 176.094 0.144 0.000 1.051 110 V CA 2.178 64.592 62.300 0.191 0.000 1.036 110 V CB -0.541 31.389 31.823 0.178 0.000 0.654 110 V HN 0.354 nan 8.190 nan 0.000 0.451 111 K N -0.282 120.207 120.400 0.149 0.000 2.026 111 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 111 K C 2.104 178.801 176.600 0.162 0.000 1.048 111 K CA 1.404 57.788 56.287 0.162 0.000 0.929 111 K CB -0.432 32.147 32.500 0.132 0.000 0.713 111 K HN 0.325 nan 8.250 nan 0.000 0.439 112 V N 1.595 121.538 119.914 0.048 0.000 2.332 112 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 112 V C 2.389 178.503 176.094 0.034 0.000 1.055 112 V CA 2.118 64.415 62.300 -0.005 0.000 1.038 112 V CB -0.780 30.975 31.823 -0.114 0.000 0.651 112 V HN 0.380 nan 8.190 nan 0.000 0.450 113 A N -0.411 122.405 122.820 -0.006 0.000 1.883 113 A HA -0.273 4.046 4.320 -0.001 0.000 0.217 113 A C 2.172 179.787 177.584 0.053 0.000 1.186 113 A CA 2.023 54.061 52.037 0.001 0.000 0.624 113 A CB -0.537 18.473 19.000 0.017 0.000 0.822 113 A HN 0.628 nan 8.150 nan 0.000 0.444 114 E N -1.236 119.018 120.200 0.090 0.000 2.085 114 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 114 E C 1.958 178.579 176.600 0.036 0.000 0.994 114 E CA 1.663 58.099 56.400 0.059 0.000 0.801 114 E CB -0.274 29.464 29.700 0.062 0.000 0.743 114 E HN 0.809 nan 8.360 nan 0.000 0.453 115 H N 0.118 119.201 119.070 0.022 0.000 2.363 115 H HA -0.014 4.541 4.556 -0.001 0.000 0.301 115 H C 2.065 177.416 175.328 0.039 0.000 1.074 115 H CA 1.020 57.089 56.048 0.035 0.000 1.354 115 H CB -0.075 29.723 29.762 0.060 0.000 1.397 115 H HN 0.051 nan 8.280 nan 0.000 0.516 116 L N 0.141 121.468 121.223 0.174 0.000 2.017 116 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 116 L C 2.008 178.874 176.870 -0.006 0.000 1.073 116 L CA 1.084 55.983 54.840 0.097 0.000 0.745 116 L CB -0.343 41.765 42.059 0.081 0.000 0.894 116 L HN 0.339 nan 8.230 nan 0.000 0.432 117 N N -0.041 118.650 118.700 -0.014 0.000 2.094 117 N HA -0.239 4.500 4.740 -0.001 0.000 0.191 117 N C 1.852 177.313 175.510 -0.081 0.000 1.023 117 N CA 1.324 54.342 53.050 -0.054 0.000 0.857 117 N CB -0.370 38.096 38.487 -0.036 0.000 1.013 117 N HN 0.297 nan 8.380 nan 0.000 0.426 118 R N 0.548 121.009 120.500 -0.065 0.000 2.066 118 R HA 0.063 4.403 4.340 -0.001 0.000 0.232 118 R C 1.910 178.175 176.300 -0.059 0.000 1.131 118 R CA 0.901 56.952 56.100 -0.081 0.000 0.955 118 R CB -0.151 30.079 30.300 -0.117 0.000 0.851 118 R HN 0.183 nan 8.270 nan 0.000 0.432 119 L N 0.676 121.894 121.223 -0.008 0.000 2.446 119 L HA 0.056 4.395 4.340 -0.001 0.000 0.219 119 L C 0.927 177.839 176.870 0.070 0.000 1.116 119 L CA 0.269 55.140 54.840 0.051 0.000 0.844 119 L CB -0.006 42.128 42.059 0.125 0.000 0.970 119 L HN 0.285 nan 8.230 nan 0.000 0.457 120 T N -2.292 112.204 114.554 -0.096 0.000 2.828 120 T HA 0.288 4.637 4.350 -0.001 0.000 0.290 120 T C -2.362 172.226 174.700 -0.187 0.000 1.019 120 T CA -1.649 60.258 62.100 -0.321 0.000 1.031 120 T CB 0.552 69.139 68.868 -0.467 0.000 1.001 120 T HN -0.195 nan 8.240 nan 0.000 0.531 121 P HA 0.405 nan 4.420 nan 0.000 0.269 121 P C 0.544 177.770 177.300 -0.124 0.000 1.211 121 P CA 0.954 63.999 63.100 -0.091 0.000 0.781 121 P CB -0.150 31.521 31.700 -0.047 0.000 0.877 122 G N 1.703 110.443 108.800 -0.099 0.000 2.785 122 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.686 122 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.686 122 G C -0.120 174.604 174.900 -0.293 0.000 1.155 122 G CA -0.574 44.434 45.100 -0.153 0.000 0.760 122 G HN 0.436 nan 8.290 nan 0.000 0.624 123 D N 0.512 120.804 120.400 -0.181 0.000 2.349 123 D HA 0.047 4.687 4.640 -0.001 0.000 0.215 123 D C 1.544 177.743 176.300 -0.169 0.000 1.016 123 D CA 0.931 54.840 54.000 -0.151 0.000 0.870 123 D CB -0.090 40.680 40.800 -0.050 0.000 0.917 123 D HN 0.779 nan 8.370 nan 0.000 0.524 124 H N 0.209 119.264 119.070 -0.026 0.000 2.581 124 H HA 0.325 4.880 4.556 -0.001 0.000 0.369 124 H C 0.039 175.349 175.328 -0.029 0.000 1.351 124 H CA -0.305 55.728 56.048 -0.025 0.000 1.434 124 H CB 0.568 30.314 29.762 -0.026 0.000 1.558 124 H HN -0.232 nan 8.280 nan 0.000 0.608 125 E N 0.579 120.861 120.200 0.138 0.000 2.324 125 E HA 0.154 4.503 4.350 -0.001 0.000 0.271 125 E C -0.892 175.776 176.600 0.114 0.000 1.028 125 E CA -0.099 56.343 56.400 0.069 0.000 0.890 125 E CB 0.475 30.205 29.700 0.051 0.000 1.004 125 E HN 0.447 nan 8.360 nan 0.000 0.431 126 K N 3.596 124.016 120.400 0.034 0.000 2.328 126 K HA 0.563 4.882 4.320 -0.001 0.000 0.246 126 K C -0.520 176.086 176.600 0.011 0.000 0.955 126 K CA -1.112 55.194 56.287 0.033 0.000 0.817 126 K CB 1.619 34.102 32.500 -0.027 0.000 1.208 126 K HN 0.340 nan 8.250 nan 0.000 0.432 127 R N 0.405 120.910 120.500 0.009 0.000 2.888 127 R HA 0.567 4.906 4.340 -0.001 0.000 0.266 127 R C -0.732 175.569 176.300 0.002 0.000 1.020 127 R CA -0.796 55.309 56.100 0.008 0.000 0.963 127 R CB 2.167 32.476 30.300 0.016 0.000 1.197 127 R HN 0.604 nan 8.270 nan 0.000 0.481 128 T N 0.143 114.698 114.554 0.003 0.000 2.909 128 T HA 0.727 5.077 4.350 -0.001 0.000 0.299 128 T C -1.302 173.379 174.700 -0.030 0.000 1.073 128 T CA -0.580 61.509 62.100 -0.019 0.000 0.999 128 T CB 2.197 71.039 68.868 -0.044 0.000 1.098 128 T HN 0.660 nan 8.240 nan 0.000 0.477 129 A N 2.554 125.326 122.820 -0.079 0.000 2.414 129 A HA 0.876 5.195 4.320 -0.001 0.000 0.306 129 A C -1.331 175.911 177.584 -0.570 0.000 1.054 129 A CA -0.672 51.230 52.037 -0.225 0.000 0.724 129 A CB 0.998 19.945 19.000 -0.089 0.000 1.267 129 A HN 0.757 nan 8.150 nan 0.000 0.418 130 L N 1.633 122.334 121.223 -0.870 0.000 2.325 130 L HA 0.750 5.089 4.340 -0.001 0.000 0.278 130 L C -0.832 175.365 176.870 -1.123 0.000 1.023 130 L CA -0.313 53.993 54.840 -0.889 0.000 0.811 130 L CB 1.299 42.746 42.059 -1.020 0.000 1.249 130 L HN 0.780 nan 8.230 nan 0.000 0.431 131 F N -0.412 119.515 119.950 -0.037 0.000 2.953 131 F HA 0.468 4.995 4.527 -0.001 0.000 0.360 131 F C 1.008 176.826 175.800 0.029 0.000 1.249 131 F CA -0.848 57.170 58.000 0.031 0.000 1.063 131 F CB 0.529 39.550 39.000 0.035 0.000 1.500 131 F HN 0.298 nan 8.300 nan 0.000 0.517 132 N N -0.276 118.588 118.700 0.275 0.000 2.513 132 N HA 0.052 4.792 4.740 -0.001 0.000 0.196 132 N C 0.140 175.714 175.510 0.107 0.000 1.041 132 N CA 0.818 53.961 53.050 0.155 0.000 0.916 132 N CB -0.122 38.468 38.487 0.171 0.000 1.172 132 N HN 0.486 nan 8.380 nan 0.000 0.444 133 S N -0.699 115.068 115.700 0.112 0.000 2.681 133 S HA 0.573 5.043 4.470 -0.001 0.000 0.299 133 S C 1.300 175.942 174.600 0.070 0.000 1.113 133 S CA -0.381 57.863 58.200 0.073 0.000 1.013 133 S CB 1.774 65.009 63.200 0.059 0.000 1.076 133 S HN 0.230 nan 8.310 nan 0.000 0.534 134 G N 0.802 109.637 108.800 0.058 0.000 2.440 134 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.218 134 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.218 134 G C 1.524 176.438 174.900 0.023 0.000 1.154 134 G CA 0.909 46.042 45.100 0.055 0.000 0.767 134 G HN 1.137 nan 8.290 nan 0.000 0.552 135 A N 0.917 123.740 122.820 0.006 0.000 1.883 135 A HA -0.083 4.237 4.320 -0.001 0.000 0.217 135 A C 2.182 179.727 177.584 -0.066 0.000 1.186 135 A CA 2.021 54.036 52.037 -0.035 0.000 0.624 135 A CB -0.469 18.512 19.000 -0.032 0.000 0.822 135 A HN 0.481 nan 8.150 nan 0.000 0.444 136 E N -0.354 119.811 120.200 -0.059 0.000 2.077 136 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 136 E C 2.333 178.749 176.600 -0.307 0.000 0.989 136 E CA 0.914 57.225 56.400 -0.149 0.000 0.800 136 E CB -0.304 29.354 29.700 -0.071 0.000 0.746 136 E HN 0.633 nan 8.360 nan 0.000 0.452 137 A N 1.038 123.772 122.820 -0.143 0.000 1.877 137 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 137 A C 2.525 180.039 177.584 -0.116 0.000 1.186 137 A CA 1.210 53.195 52.037 -0.086 0.000 0.620 137 A CB -0.682 18.386 19.000 0.113 0.000 0.822 137 A HN 0.114 nan 8.150 nan 0.000 0.443 138 V N 0.385 120.245 119.914 -0.089 0.000 2.343 138 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 138 V C 2.491 178.501 176.094 -0.141 0.000 1.051 138 V CA 2.093 64.331 62.300 -0.103 0.000 1.036 138 V CB -0.801 30.965 31.823 -0.096 0.000 0.654 138 V HN 0.557 nan 8.190 nan 0.000 0.451 139 E N 0.295 120.399 120.200 -0.160 0.000 2.097 139 E HA -0.238 4.112 4.350 -0.001 0.000 0.196 139 E C 2.060 178.551 176.600 -0.181 0.000 1.000 139 E CA 1.377 57.680 56.400 -0.161 0.000 0.804 139 E CB -0.352 29.247 29.700 -0.167 0.000 0.740 139 E HN 0.619 nan 8.360 nan 0.000 0.454 140 N N 0.290 118.819 118.700 -0.285 0.000 2.270 140 N HA -0.061 4.678 4.740 -0.001 0.000 0.181 140 N C 1.770 177.217 175.510 -0.105 0.000 1.016 140 N CA 0.860 53.740 53.050 -0.285 0.000 0.870 140 N CB 0.027 38.096 38.487 -0.695 0.000 0.979 140 N HN 0.085 nan 8.380 nan 0.000 0.431 141 A N 0.951 123.719 122.820 -0.087 0.000 1.877 141 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 141 A C 2.511 180.073 177.584 -0.037 0.000 1.186 141 A CA 1.116 53.127 52.037 -0.043 0.000 0.620 141 A CB -0.763 18.203 19.000 -0.056 0.000 0.822 141 A HN 0.070 nan 8.150 nan 0.000 0.443 142 V N 0.533 120.412 119.914 -0.058 0.000 2.287 142 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 142 V C 2.495 178.582 176.094 -0.011 0.000 1.053 142 V CA 2.389 64.667 62.300 -0.036 0.000 1.027 142 V CB -0.719 31.070 31.823 -0.056 0.000 0.646 142 V HN 0.530 nan 8.190 nan 0.000 0.447 143 K N -0.338 120.047 120.400 -0.025 0.000 2.063 143 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 143 K C 2.061 178.678 176.600 0.029 0.000 1.048 143 K CA 1.798 58.083 56.287 -0.003 0.000 0.928 143 K CB -0.420 32.067 32.500 -0.021 0.000 0.713 143 K HN 0.412 nan 8.250 nan 0.000 0.442 144 I N 0.946 121.534 120.570 0.031 0.000 2.226 144 I HA -0.269 3.901 4.170 -0.001 0.000 0.245 144 I C 2.540 178.708 176.117 0.086 0.000 1.100 144 I CA 1.121 62.457 61.300 0.060 0.000 1.374 144 I CB -0.327 37.702 38.000 0.048 0.000 1.057 144 I HN 0.133 nan 8.210 nan 0.000 0.413 145 A N 0.798 123.660 122.820 0.070 0.000 1.873 145 A HA -0.166 4.153 4.320 -0.001 0.000 0.215 145 A C 2.379 180.038 177.584 0.124 0.000 1.186 145 A CA 1.290 53.392 52.037 0.108 0.000 0.616 145 A CB -0.528 18.518 19.000 0.076 0.000 0.823 145 A HN 0.293 nan 8.150 nan 0.000 0.442 146 R N -0.480 120.067 120.500 0.079 0.000 2.120 146 R HA -0.075 4.265 4.340 -0.001 0.000 0.234 146 R C 2.300 178.637 176.300 0.060 0.000 1.123 146 R CA 1.135 57.272 56.100 0.062 0.000 0.975 146 R CB -0.360 29.964 30.300 0.041 0.000 0.866 146 R HN 0.528 nan 8.270 nan 0.000 0.446 147 A N 0.017 122.885 122.820 0.080 0.000 1.903 147 A HA -0.134 4.185 4.320 -0.001 0.000 0.213 147 A C 1.905 179.545 177.584 0.094 0.000 1.185 147 A CA 0.603 52.684 52.037 0.074 0.000 0.628 147 A CB -0.488 18.560 19.000 0.080 0.000 0.830 147 A HN 0.408 nan 8.150 nan 0.000 0.446 148 Y N 1.548 121.857 120.300 0.015 0.000 2.184 148 Y HA -0.192 4.357 4.550 -0.001 0.000 0.290 148 Y C 2.820 178.725 175.900 0.008 0.000 1.129 148 Y CA 2.492 60.599 58.100 0.012 0.000 1.144 148 Y CB -0.228 38.239 38.460 0.013 0.000 0.995 148 Y HN 0.404 nan 8.280 nan 0.000 0.513 149 T N -2.384 112.146 114.554 -0.040 0.000 3.023 149 T HA 0.024 4.373 4.350 -0.001 0.000 0.266 149 T C 1.014 175.649 174.700 -0.109 0.000 1.093 149 T CA 0.647 62.670 62.100 -0.128 0.000 1.129 149 T CB -0.235 68.653 68.868 0.034 0.000 0.899 149 T HN 0.449 nan 8.240 nan 0.000 0.491 150 R N 0.697 121.163 120.500 -0.056 0.000 3.863 150 R HA -0.136 4.203 4.340 -0.001 0.000 0.313 150 R C -0.388 175.905 176.300 -0.012 0.000 1.202 150 R CA 0.618 56.698 56.100 -0.033 0.000 0.852 150 R CB -1.848 28.419 30.300 -0.054 0.000 1.292 150 R HN 0.573 nan 8.270 nan 0.000 0.519 151 R N 0.039 120.543 120.500 0.007 0.000 2.674 151 R HA 0.263 4.602 4.340 -0.001 0.000 0.266 151 R C 1.117 177.441 176.300 0.040 0.000 1.016 151 R CA -0.589 55.526 56.100 0.024 0.000 1.062 151 R CB 0.671 30.991 30.300 0.034 0.000 1.142 151 R HN 0.132 nan 8.270 nan 0.000 0.517 152 Q N 0.289 120.119 119.800 0.050 0.000 2.226 152 Q HA 0.195 4.535 4.340 -0.001 0.000 0.199 152 Q C 0.130 176.183 176.000 0.088 0.000 0.945 152 Q CA 0.414 56.255 55.803 0.063 0.000 0.861 152 Q CB 0.475 29.254 28.738 0.067 0.000 0.953 152 Q HN 0.608 nan 8.270 nan 0.000 0.490 153 A N 0.972 123.857 122.820 0.108 0.000 2.354 153 A HA 0.455 4.774 4.320 -0.001 0.000 0.269 153 A C -0.507 177.160 177.584 0.137 0.000 1.109 153 A CA -0.276 51.861 52.037 0.167 0.000 0.800 153 A CB 0.752 19.835 19.000 0.139 0.000 1.045 153 A HN 0.075 nan 8.150 nan 0.000 0.489 154 V N 3.492 123.498 119.914 0.153 0.000 2.409 154 V HA 0.278 4.397 4.120 -0.001 0.000 0.290 154 V C -0.337 175.808 176.094 0.085 0.000 1.017 154 V CA -0.515 61.838 62.300 0.088 0.000 0.841 154 V CB 1.440 33.283 31.823 0.032 0.000 1.003 154 V HN 0.641 nan 8.190 nan 0.000 0.426 155 V N 6.538 126.480 119.914 0.046 0.000 2.406 155 V HA 0.523 4.642 4.120 -0.001 0.000 0.272 155 V C 0.257 176.300 176.094 -0.084 0.000 1.043 155 V CA -0.171 62.098 62.300 -0.052 0.000 0.915 155 V CB 1.449 33.185 31.823 -0.143 0.000 0.988 155 V HN 0.743 nan 8.190 nan 0.000 0.466 156 V N 2.446 122.268 119.914 -0.153 0.000 3.181 156 V HA 0.777 4.896 4.120 -0.001 0.000 0.314 156 V C -0.890 175.035 176.094 -0.281 0.000 1.173 156 V CA -0.966 61.327 62.300 -0.012 0.000 1.052 156 V CB 2.146 34.019 31.823 0.083 0.000 1.123 156 V HN 0.499 nan 8.190 nan 0.000 0.454 157 F N -1.038 119.001 119.950 0.147 0.000 2.593 157 F HA 0.584 5.110 4.527 -0.001 0.000 0.320 157 F C 0.160 175.962 175.800 0.004 0.000 1.060 157 F CA -0.791 57.277 58.000 0.114 0.000 0.940 157 F CB 1.283 40.419 39.000 0.227 0.000 1.268 157 F HN 0.492 nan 8.300 nan 0.000 0.475 158 D N 1.004 121.473 120.400 0.116 0.000 2.449 158 D HA 0.036 4.675 4.640 -0.001 0.000 0.236 158 D C 0.533 176.718 176.300 -0.192 0.000 1.149 158 D CA 1.139 55.062 54.000 -0.128 0.000 0.878 158 D CB 0.036 40.719 40.800 -0.195 0.000 1.198 158 D HN 0.596 nan 8.370 nan 0.000 0.446 159 H N -2.325 116.683 119.070 -0.103 0.000 3.211 159 H HA -0.187 4.369 4.556 -0.001 0.000 0.240 159 H C 0.108 175.331 175.328 -0.176 0.000 1.148 159 H CA 0.931 56.866 56.048 -0.188 0.000 1.160 159 H CB -1.765 27.808 29.762 -0.315 0.000 1.232 159 H HN 0.443 nan 8.280 nan 0.000 0.321 160 A N 0.322 123.130 122.820 -0.020 0.000 2.340 160 A HA 0.517 4.836 4.320 -0.001 0.000 0.268 160 A C -0.447 177.086 177.584 -0.086 0.000 1.100 160 A CA -0.212 51.828 52.037 0.005 0.000 0.803 160 A CB 0.732 19.802 19.000 0.116 0.000 1.043 160 A HN 0.333 nan 8.150 nan 0.000 0.488 161 Y N 1.295 121.358 120.300 -0.396 0.000 2.386 161 Y HA 0.502 5.051 4.550 -0.001 0.000 0.334 161 Y C 0.096 175.646 175.900 -0.583 0.000 1.002 161 Y CA -0.566 57.283 58.100 -0.419 0.000 1.068 161 Y CB 1.470 39.726 38.460 -0.340 0.000 1.203 161 Y HN 0.799 nan 8.280 nan 0.000 0.443 162 H N 3.420 122.048 119.070 -0.736 0.000 3.360 162 H HA 0.490 5.045 4.556 -0.001 0.000 0.262 162 H C 0.625 175.593 175.328 -0.601 0.000 1.149 162 H CA 0.496 56.253 56.048 -0.485 0.000 1.181 162 H CB 1.496 31.105 29.762 -0.255 0.000 1.564 162 H HN 0.863 nan 8.280 nan 0.000 0.565 163 G N 0.732 108.942 108.800 -0.983 0.000 2.346 163 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.294 163 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.294 163 G C -0.368 174.360 174.900 -0.287 0.000 1.294 163 G CA -0.808 44.007 45.100 -0.475 0.000 0.962 163 G HN 0.042 nan 8.290 nan 0.000 0.508 164 R N -0.189 120.266 120.500 -0.076 0.000 2.508 164 R HA 0.222 4.562 4.340 -0.001 0.000 0.300 164 R C 1.241 177.537 176.300 -0.007 0.000 0.970 164 R CA 0.736 56.841 56.100 0.009 0.000 1.102 164 R CB 0.348 30.682 30.300 0.057 0.000 1.246 164 R HN 0.879 nan 8.270 nan 0.000 0.539 165 T N -1.607 112.936 114.554 -0.018 0.000 2.816 165 T HA 0.094 4.443 4.350 -0.001 0.000 0.282 165 T C 1.299 176.025 174.700 0.043 0.000 0.993 165 T CA -0.549 61.549 62.100 -0.002 0.000 0.994 165 T CB 1.591 70.449 68.868 -0.018 0.000 1.025 165 T HN -0.053 nan 8.240 nan 0.000 0.529 166 N N -0.178 118.567 118.700 0.075 0.000 2.043 166 N HA -0.147 4.593 4.740 -0.001 0.000 0.193 166 N C 1.790 177.398 175.510 0.163 0.000 1.037 166 N CA 1.631 54.789 53.050 0.181 0.000 0.851 166 N CB -0.467 38.097 38.487 0.128 0.000 1.027 166 N HN 0.602 nan 8.380 nan 0.000 0.422 167 L N 1.416 122.677 121.223 0.064 0.000 2.046 167 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 167 L C 2.569 179.417 176.870 -0.037 0.000 1.077 167 L CA 2.429 57.279 54.840 0.016 0.000 0.747 167 L CB -1.393 40.656 42.059 -0.016 0.000 0.896 167 L HN 0.393 nan 8.230 nan 0.000 0.432 168 T N -3.677 110.845 114.554 -0.053 0.000 2.915 168 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 168 T C 1.877 176.502 174.700 -0.125 0.000 1.071 168 T CA 1.484 63.528 62.100 -0.094 0.000 1.132 168 T CB -0.469 68.333 68.868 -0.110 0.000 0.878 168 T HN 0.362 nan 8.240 nan 0.000 0.479 169 M N 1.130 120.675 119.600 -0.090 0.000 2.132 169 M HA 0.087 4.566 4.480 -0.001 0.000 0.263 169 M C 3.004 179.086 176.300 -0.364 0.000 1.065 169 M CA 1.629 56.836 55.300 -0.155 0.000 1.122 169 M CB -0.586 32.021 32.600 0.012 0.000 1.365 169 M HN 0.474 nan 8.290 nan 0.000 0.411 170 A N 0.469 123.101 122.820 -0.314 0.000 1.917 170 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 170 A C 2.064 179.530 177.584 -0.197 0.000 1.182 170 A CA 1.887 53.737 52.037 -0.312 0.000 0.633 170 A CB -0.678 18.270 19.000 -0.086 0.000 0.819 170 A HN 0.512 nan 8.150 nan 0.000 0.448 171 M N -0.599 118.932 119.600 -0.115 0.000 2.394 171 M HA -0.018 4.461 4.480 -0.001 0.000 0.264 171 M C 0.280 176.626 176.300 0.076 0.000 1.073 171 M CA 0.500 55.789 55.300 -0.019 0.000 1.111 171 M CB -0.374 32.197 32.600 -0.049 0.000 1.401 171 M HN 0.181 nan 8.290 nan 0.000 0.448 172 T N 0.604 115.132 114.554 -0.042 0.000 2.907 172 T HA 0.307 4.656 4.350 -0.001 0.000 0.298 172 T C 1.064 175.729 174.700 -0.058 0.000 1.017 172 T CA -0.087 61.960 62.100 -0.089 0.000 1.118 172 T CB 1.723 70.466 68.868 -0.210 0.000 0.948 172 T HN 0.284 nan 8.240 nan 0.000 0.531 173 A N 3.394 126.200 122.820 -0.024 0.000 1.855 173 A HA 0.125 4.445 4.320 -0.001 0.000 0.213 173 A C 1.208 178.797 177.584 0.008 0.000 1.195 173 A CA 0.781 52.800 52.037 -0.030 0.000 0.610 173 A CB -0.137 18.823 19.000 -0.068 0.000 0.837 173 A HN 0.682 nan 8.150 nan 0.000 0.444 174 K N 0.664 121.122 120.400 0.095 0.000 2.349 174 K HA 0.091 4.410 4.320 -0.001 0.000 0.288 174 K C 0.636 177.364 176.600 0.213 0.000 1.058 174 K CA 0.180 56.560 56.287 0.156 0.000 0.953 174 K CB 0.481 33.137 32.500 0.260 0.000 0.997 174 K HN 0.339 nan 8.250 nan 0.000 0.477 175 N N 2.973 121.735 118.700 0.104 0.000 2.120 175 N HA -0.190 4.550 4.740 -0.001 0.000 0.188 175 N C -0.250 175.311 175.510 0.085 0.000 1.024 175 N CA 1.366 54.481 53.050 0.108 0.000 0.852 175 N CB 0.237 38.777 38.487 0.089 0.000 1.003 175 N HN 0.523 nan 8.380 nan 0.000 0.424 176 Q N -0.463 119.324 119.800 -0.022 0.000 2.325 176 Q HA 0.368 4.708 4.340 -0.001 0.000 0.262 176 Q C -2.209 173.600 176.000 -0.318 0.000 0.968 176 Q CA -1.946 53.772 55.803 -0.141 0.000 0.877 176 Q CB 1.965 30.596 28.738 -0.178 0.000 1.253 176 Q HN 0.199 nan 8.270 nan 0.000 0.448 177 P HA 0.064 nan 4.420 nan 0.000 0.272 177 P C -0.226 177.080 177.300 0.010 0.000 1.408 177 P CA 0.238 63.220 63.100 -0.197 0.000 0.996 177 P CB 0.240 31.843 31.700 -0.163 0.000 1.481 178 Y N 1.277 121.708 120.300 0.219 0.000 2.242 178 Y HA -0.041 4.508 4.550 -0.001 0.000 0.291 178 Y C 2.304 178.454 175.900 0.417 0.000 1.137 178 Y CA 1.047 59.328 58.100 0.302 0.000 1.181 178 Y CB -0.222 38.396 38.460 0.262 0.000 0.989 178 Y HN -0.047 nan 8.280 nan 0.000 0.527 179 K N -1.789 118.883 120.400 0.453 0.000 2.436 179 K HA 0.023 4.342 4.320 -0.001 0.000 0.198 179 K C 0.267 177.042 176.600 0.292 0.000 1.174 179 K CA -0.123 56.433 56.287 0.449 0.000 0.951 179 K CB 0.190 32.779 32.500 0.148 0.000 1.040 179 K HN 0.145 nan 8.250 nan 0.000 0.536 180 H N 0.793 119.824 119.070 -0.065 0.000 3.145 180 H HA -0.038 4.518 4.556 -0.001 0.000 0.288 180 H C 0.833 175.789 175.328 -0.619 0.000 0.969 180 H CA 1.846 57.760 56.048 -0.225 0.000 1.444 180 H CB 0.390 30.042 29.762 -0.184 0.000 1.500 180 H HN 0.596 nan 8.280 nan 0.000 0.552 181 G N 4.624 112.978 108.800 -0.743 0.000 2.176 181 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.253 181 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.253 181 G C 0.311 174.984 174.900 -0.378 0.000 0.979 181 G CA 0.356 45.068 45.100 -0.647 0.000 0.641 181 G HN 0.573 nan 8.290 nan 0.000 0.530 182 F N 1.553 121.483 119.950 -0.034 0.000 2.704 182 F HA 0.472 4.999 4.527 -0.001 0.000 0.304 182 F C 1.986 177.560 175.800 -0.377 0.000 1.094 182 F CA -0.474 57.488 58.000 -0.063 0.000 1.275 182 F CB -0.181 38.899 39.000 0.133 0.000 1.073 182 F HN 0.331 nan 8.300 nan 0.000 0.586 183 G N 0.976 109.408 108.800 -0.613 0.000 2.553 183 G HA2 0.416 4.375 3.960 -0.001 0.000 0.278 183 G HA3 0.416 4.375 3.960 -0.001 0.000 0.278 183 G C -1.955 172.643 174.900 -0.503 0.000 1.349 183 G CA -0.756 43.621 45.100 -1.205 0.000 1.037 183 G HN -0.063 nan 8.290 nan 0.000 0.508 184 P HA 0.401 nan 4.420 nan 0.000 0.274 184 P C -1.327 175.681 177.300 -0.485 0.000 1.246 184 P CA -0.235 62.606 63.100 -0.432 0.000 0.795 184 P CB 0.759 32.358 31.700 -0.169 0.000 1.006 185 F N -0.495 119.456 119.950 0.000 0.000 2.492 185 F HA 0.495 5.022 4.527 -0.001 0.000 0.327 185 F C 0.865 176.652 175.800 -0.021 0.000 1.079 185 F CA -1.022 56.977 58.000 -0.001 0.000 0.967 185 F CB 0.922 39.922 39.000 -0.000 0.000 1.169 185 F HN 0.344 nan 8.300 nan 0.000 0.472 186 A N 3.010 125.943 122.820 0.188 0.000 2.591 186 A HA 0.142 4.461 4.320 -0.001 0.000 0.244 186 A C 0.281 177.892 177.584 0.045 0.000 1.031 186 A CA -0.120 51.967 52.037 0.083 0.000 0.767 186 A CB -0.731 18.306 19.000 0.062 0.000 0.942 186 A HN 0.775 nan 8.150 nan 0.000 0.514 187 N N 1.101 119.807 118.700 0.009 0.000 2.566 187 N HA 0.353 5.093 4.740 -0.001 0.000 0.299 187 N C -0.237 175.239 175.510 -0.057 0.000 1.277 187 N CA -0.336 52.690 53.050 -0.041 0.000 0.965 187 N CB 0.090 38.558 38.487 -0.032 0.000 1.142 187 N HN 0.549 nan 8.380 nan 0.000 0.596 188 E N -2.147 117.986 120.200 -0.111 0.000 2.476 188 E HA -0.107 4.242 4.350 -0.001 0.000 0.251 188 E C -1.127 175.444 176.600 -0.048 0.000 1.130 188 E CA 0.346 56.734 56.400 -0.019 0.000 0.736 188 E CB -2.179 27.591 29.700 0.117 0.000 1.298 188 E HN 0.439 nan 8.360 nan 0.000 0.400 189 V N 1.014 120.752 119.914 -0.293 0.000 2.448 189 V HA 0.502 4.621 4.120 -0.001 0.000 0.295 189 V C -0.263 175.567 176.094 -0.440 0.000 1.025 189 V CA -0.577 61.605 62.300 -0.197 0.000 0.859 189 V CB 1.084 32.823 31.823 -0.139 0.000 0.988 189 V HN 0.135 nan 8.190 nan 0.000 0.431 190 Y N 3.379 123.638 120.300 -0.067 0.000 2.425 190 Y HA 0.656 5.205 4.550 -0.001 0.000 0.344 190 Y C 0.176 175.989 175.900 -0.144 0.000 0.969 190 Y CA -0.669 57.378 58.100 -0.089 0.000 1.052 190 Y CB 2.014 40.421 38.460 -0.089 0.000 1.215 190 Y HN 0.502 nan 8.280 nan 0.000 0.451 191 R N 2.376 122.867 120.500 -0.014 0.000 2.604 191 R HA 0.857 5.197 4.340 -0.001 0.000 0.287 191 R C -1.304 174.913 176.300 -0.138 0.000 0.970 191 R CA -0.778 55.258 56.100 -0.106 0.000 0.946 191 R CB 1.419 31.675 30.300 -0.074 0.000 1.127 191 R HN 0.623 nan 8.270 nan 0.000 0.473 192 V N 0.388 120.155 119.914 -0.246 0.000 3.181 192 V HA 0.675 4.794 4.120 -0.001 0.000 0.308 192 V C -2.824 173.243 176.094 -0.044 0.000 1.214 192 V CA -2.781 59.401 62.300 -0.196 0.000 1.053 192 V CB 1.965 33.605 31.823 -0.305 0.000 1.069 192 V HN 0.670 nan 8.190 nan 0.000 0.441 193 P HA 0.316 nan 4.420 nan 0.000 0.268 193 P C -0.193 177.363 177.300 0.426 0.000 1.205 193 P CA 0.529 63.744 63.100 0.192 0.000 0.771 193 P CB 0.687 32.486 31.700 0.164 0.000 0.858 194 T N 0.801 115.564 114.554 0.349 0.000 2.920 194 T HA 0.462 4.812 4.350 -0.001 0.000 0.292 194 T C -0.331 174.250 174.700 -0.198 0.000 1.093 194 T CA -0.463 61.744 62.100 0.179 0.000 0.944 194 T CB 0.280 69.234 68.868 0.144 0.000 1.605 194 T HN 0.268 nan 8.240 nan 0.000 0.590 195 S N 0.841 116.196 115.700 -0.574 0.000 2.552 195 S HA 0.540 5.010 4.470 -0.001 0.000 0.314 195 S C -1.796 172.763 174.600 -0.069 0.000 1.099 195 S CA -0.594 57.345 58.200 -0.434 0.000 1.070 195 S CB 0.703 63.403 63.200 -0.834 0.000 0.998 195 S HN 0.616 nan 8.310 nan 0.000 0.474 196 Y N 7.109 127.360 120.300 -0.082 0.000 2.544 196 Y HA 0.429 4.978 4.550 -0.001 0.000 0.347 196 Y C -2.717 173.204 175.900 0.035 0.000 1.089 196 Y CA -2.412 55.679 58.100 -0.015 0.000 1.230 196 Y CB 1.053 39.499 38.460 -0.022 0.000 1.101 196 Y HN 0.438 nan 8.280 nan 0.000 0.641 197 P HA -0.232 nan 4.420 nan 0.000 0.216 197 P C 1.766 179.149 177.300 0.140 0.000 1.153 197 P CA 1.493 64.682 63.100 0.149 0.000 0.858 197 P CB -0.006 31.779 31.700 0.141 0.000 0.789 198 F N 0.656 120.650 119.950 0.074 0.000 2.154 198 F HA -0.203 4.324 4.527 -0.001 0.000 0.301 198 F C 1.880 177.557 175.800 -0.204 0.000 1.087 198 F CA 1.705 59.693 58.000 -0.020 0.000 1.274 198 F CB -0.230 38.831 39.000 0.102 0.000 1.009 198 F HN -0.164 nan 8.300 nan 0.000 0.485 199 R N -0.720 119.474 120.500 -0.510 0.000 2.365 199 R HA 0.084 4.423 4.340 -0.001 0.000 0.223 199 R C 0.756 176.862 176.300 -0.322 0.000 0.899 199 R CA 0.835 56.582 56.100 -0.588 0.000 1.059 199 R CB 0.012 29.831 30.300 -0.803 0.000 1.086 199 R HN 0.378 nan 8.270 nan 0.000 0.522 200 D N -1.061 119.230 120.400 -0.183 0.000 2.433 200 D HA 0.086 4.725 4.640 -0.001 0.000 0.211 200 D C 1.129 177.399 176.300 -0.051 0.000 1.114 200 D CA 0.458 54.413 54.000 -0.075 0.000 0.837 200 D CB 0.465 41.268 40.800 0.004 0.000 0.984 200 D HN 0.096 nan 8.370 nan 0.000 0.505 201 G N 0.354 109.115 108.800 -0.065 0.000 2.166 201 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.260 201 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.260 201 G C 0.048 174.948 174.900 -0.000 0.000 0.986 201 G CA 0.592 45.668 45.100 -0.039 0.000 0.683 201 G HN 0.574 nan 8.290 nan 0.000 0.527 202 E N 0.635 120.847 120.200 0.020 0.000 2.207 202 E HA 0.577 4.927 4.350 -0.001 0.000 0.250 202 E C 1.124 177.755 176.600 0.053 0.000 0.890 202 E CA 0.051 56.474 56.400 0.038 0.000 0.749 202 E CB 0.453 30.182 29.700 0.048 0.000 1.193 202 E HN 0.249 nan 8.360 nan 0.000 0.423 203 T N 0.448 115.033 114.554 0.052 0.000 3.144 203 T HA 0.120 4.470 4.350 -0.001 0.000 0.249 203 T C 0.336 175.075 174.700 0.064 0.000 1.089 203 T CA -0.410 61.725 62.100 0.058 0.000 0.989 203 T CB -0.007 68.892 68.868 0.052 0.000 0.992 203 T HN 0.222 nan 8.240 nan 0.000 0.540 204 D N 1.460 121.902 120.400 0.070 0.000 2.411 204 D HA 0.384 5.024 4.640 -0.001 0.000 0.225 204 D C 1.452 177.825 176.300 0.123 0.000 1.156 204 D CA -0.329 53.721 54.000 0.083 0.000 0.874 204 D CB 0.945 41.788 40.800 0.071 0.000 1.034 204 D HN 0.196 nan 8.370 nan 0.000 0.502 205 G N 3.121 112.010 108.800 0.149 0.000 2.440 205 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 205 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 205 G C 1.448 176.514 174.900 0.277 0.000 1.154 205 G CA 1.002 46.258 45.100 0.260 0.000 0.767 205 G HN 0.588 nan 8.290 nan 0.000 0.552 206 A N 1.270 124.184 122.820 0.156 0.000 1.892 206 A HA 0.141 4.461 4.320 -0.001 0.000 0.218 206 A C 2.850 180.507 177.584 0.122 0.000 1.188 206 A CA 2.602 54.702 52.037 0.105 0.000 0.631 206 A CB -0.917 18.125 19.000 0.069 0.000 0.822 206 A HN 0.876 nan 8.150 nan 0.000 0.447 207 A N -0.318 122.577 122.820 0.126 0.000 1.877 207 A HA 0.168 4.487 4.320 -0.001 0.000 0.216 207 A C 2.531 180.223 177.584 0.179 0.000 1.186 207 A CA 2.168 54.279 52.037 0.123 0.000 0.620 207 A CB -1.091 17.965 19.000 0.093 0.000 0.822 207 A HN 1.150 nan 8.150 nan 0.000 0.443 208 A N -0.164 122.799 122.820 0.238 0.000 1.940 208 A HA 0.128 4.448 4.320 -0.001 0.000 0.219 208 A C 2.447 180.331 177.584 0.499 0.000 1.176 208 A CA 2.112 54.351 52.037 0.337 0.000 0.631 208 A CB -0.918 18.247 19.000 0.276 0.000 0.814 208 A HN 1.092 nan 8.150 nan 0.000 0.446 209 A N -0.427 122.640 122.820 0.412 0.000 2.015 209 A HA 0.263 4.582 4.320 -0.001 0.000 0.219 209 A C 2.395 180.022 177.584 0.072 0.000 1.163 209 A CA 1.671 53.759 52.037 0.086 0.000 0.646 209 A CB -0.754 18.106 19.000 -0.234 0.000 0.806 209 A HN 0.987 nan 8.150 nan 0.000 0.448 210 A N -0.982 121.912 122.820 0.122 0.000 1.930 210 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 210 A C 2.041 179.710 177.584 0.143 0.000 1.175 210 A CA 1.963 54.061 52.037 0.101 0.000 0.627 210 A CB -0.727 18.335 19.000 0.103 0.000 0.815 210 A HN 0.685 nan 8.150 nan 0.000 0.443 211 H N 0.131 119.250 119.070 0.081 0.000 2.363 211 H HA 0.148 4.704 4.556 -0.001 0.000 0.301 211 H C 2.155 177.514 175.328 0.053 0.000 1.074 211 H CA 1.558 57.647 56.048 0.069 0.000 1.354 211 H CB -0.388 29.427 29.762 0.089 0.000 1.397 211 H HN 0.348 nan 8.280 nan 0.000 0.516 212 A N 0.478 123.289 122.820 -0.016 0.000 1.930 212 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 212 A C 2.557 180.016 177.584 -0.209 0.000 1.175 212 A CA 1.403 53.374 52.037 -0.110 0.000 0.627 212 A CB -0.803 18.281 19.000 0.139 0.000 0.815 212 A HN 0.452 nan 8.150 nan 0.000 0.443 213 L N -0.731 120.370 121.223 -0.204 0.000 2.156 213 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 213 L C 2.283 179.041 176.870 -0.188 0.000 1.095 213 L CA 1.412 56.031 54.840 -0.369 0.000 0.770 213 L CB -0.444 41.396 42.059 -0.364 0.000 0.914 213 L HN 0.434 nan 8.230 nan 0.000 0.439 214 D N 0.408 120.768 120.400 -0.066 0.000 2.117 214 D HA -0.171 4.468 4.640 -0.001 0.000 0.198 214 D C 2.261 178.536 176.300 -0.041 0.000 0.982 214 D CA 1.206 55.207 54.000 0.002 0.000 0.828 214 D CB 0.055 40.906 40.800 0.085 0.000 0.967 214 D HN 0.179 nan 8.370 nan 0.000 0.464 215 L N 0.048 121.198 121.223 -0.121 0.000 2.017 215 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 215 L C 2.348 179.129 176.870 -0.149 0.000 1.073 215 L CA 0.474 55.229 54.840 -0.142 0.000 0.745 215 L CB -0.438 41.488 42.059 -0.223 0.000 0.894 215 L HN 0.172 nan 8.230 nan 0.000 0.432 216 I N 0.163 120.603 120.570 -0.217 0.000 2.127 216 I HA -0.283 3.886 4.170 -0.001 0.000 0.241 216 I C 2.327 178.392 176.117 -0.086 0.000 1.075 216 I CA 1.477 62.637 61.300 -0.234 0.000 1.334 216 I CB -1.597 36.121 38.000 -0.470 0.000 1.040 216 I HN 0.347 nan 8.210 nan 0.000 0.405 217 N N 1.057 119.756 118.700 -0.002 0.000 2.104 217 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 217 N C 1.746 177.275 175.510 0.033 0.000 1.024 217 N CA 1.238 54.352 53.050 0.108 0.000 0.853 217 N CB -0.175 38.403 38.487 0.151 0.000 1.008 217 N HN 0.384 nan 8.380 nan 0.000 0.424 218 K N 1.001 121.400 120.400 -0.002 0.000 2.098 218 K HA 0.085 4.404 4.320 -0.001 0.000 0.203 218 K C 2.001 178.579 176.600 -0.037 0.000 1.051 218 K CA 0.770 57.052 56.287 -0.008 0.000 0.957 218 K CB -0.102 32.400 32.500 0.003 0.000 0.738 218 K HN 0.377 nan 8.250 nan 0.000 0.447 219 Q N 0.080 119.837 119.800 -0.073 0.000 2.259 219 Q HA 0.040 4.380 4.340 -0.001 0.000 0.201 219 Q C 1.998 177.867 176.000 -0.218 0.000 0.938 219 Q CA 0.637 56.378 55.803 -0.103 0.000 0.872 219 Q CB 0.518 29.207 28.738 -0.082 0.000 0.971 219 Q HN -0.010 nan 8.270 nan 0.000 0.494 220 V N -0.939 118.810 119.914 -0.275 0.000 2.690 220 V HA 0.256 4.376 4.120 -0.001 0.000 0.240 220 V C 0.734 176.710 176.094 -0.196 0.000 1.078 220 V CA 0.759 62.804 62.300 -0.425 0.000 1.102 220 V CB 0.397 31.929 31.823 -0.486 0.000 0.800 220 V HN 0.443 nan 8.190 nan 0.000 0.479 221 G N -0.091 108.663 108.800 -0.075 0.000 3.355 221 G HA2 0.206 4.165 3.960 -0.001 0.000 0.686 221 G HA3 0.206 4.165 3.960 -0.001 0.000 0.686 221 G C 0.426 175.373 174.900 0.080 0.000 1.097 221 G CA -0.119 44.983 45.100 0.002 0.000 0.881 221 G HN 0.678 nan 8.290 nan 0.000 0.550 222 A N 1.237 124.139 122.820 0.137 0.000 1.948 222 A HA 0.216 4.536 4.320 -0.001 0.000 0.220 222 A C 2.257 179.863 177.584 0.037 0.000 1.177 222 A CA 2.956 55.092 52.037 0.165 0.000 0.636 222 A CB -0.735 18.266 19.000 0.001 0.000 0.815 222 A HN 2.141 nan 8.150 nan 0.000 0.449 223 D N -0.926 119.476 120.400 0.002 0.000 2.355 223 D HA 0.016 4.656 4.640 -0.001 0.000 0.218 223 D C 1.375 177.676 176.300 0.001 0.000 1.004 223 D CA 0.719 54.706 54.000 -0.022 0.000 0.880 223 D CB -0.465 40.316 40.800 -0.031 0.000 0.911 223 D HN 0.494 nan 8.370 nan 0.000 0.528 224 N N -0.292 118.421 118.700 0.022 0.000 2.254 224 N HA 0.086 4.825 4.740 -0.001 0.000 0.190 224 N C 0.139 175.680 175.510 0.053 0.000 1.107 224 N CA 0.164 53.228 53.050 0.023 0.000 0.869 224 N CB 1.614 40.098 38.487 -0.005 0.000 0.983 224 N HN 0.281 nan 8.380 nan 0.000 0.487 225 V N 1.980 121.953 119.914 0.099 0.000 2.389 225 V HA 0.223 4.342 4.120 -0.001 0.000 0.264 225 V C 1.318 177.496 176.094 0.140 0.000 1.049 225 V CA -0.278 62.112 62.300 0.149 0.000 0.932 225 V CB 0.742 32.739 31.823 0.290 0.000 1.011 225 V HN 0.150 nan 8.190 nan 0.000 0.475 226 A N 4.657 127.547 122.820 0.115 0.000 1.897 226 A HA 0.524 4.843 4.320 -0.001 0.000 0.215 226 A C 1.164 178.828 177.584 0.134 0.000 1.181 226 A CA 1.245 53.348 52.037 0.110 0.000 0.620 226 A CB 0.059 19.110 19.000 0.086 0.000 0.821 226 A HN 1.124 nan 8.150 nan 0.000 0.443 227 A N -1.313 121.586 122.820 0.132 0.000 2.486 227 A HA 0.594 4.914 4.320 -0.001 0.000 0.300 227 A C -1.222 176.456 177.584 0.156 0.000 1.048 227 A CA -0.371 51.745 52.037 0.131 0.000 0.696 227 A CB 1.514 20.554 19.000 0.066 0.000 1.278 227 A HN 0.429 nan 8.150 nan 0.000 0.405 228 V N 2.195 122.240 119.914 0.218 0.000 2.409 228 V HA 0.527 4.646 4.120 -0.001 0.000 0.291 228 V C -0.523 175.715 176.094 0.241 0.000 1.020 228 V CA -0.485 61.979 62.300 0.273 0.000 0.848 228 V CB 1.379 33.443 31.823 0.401 0.000 0.990 228 V HN 0.675 nan 8.190 nan 0.000 0.430 229 V N 6.713 126.765 119.914 0.230 0.000 2.448 229 V HA 0.621 4.741 4.120 -0.001 0.000 0.295 229 V C -0.362 175.911 176.094 0.299 0.000 1.025 229 V CA -0.485 61.876 62.300 0.102 0.000 0.859 229 V CB 1.869 33.645 31.823 -0.077 0.000 0.988 229 V HN 0.769 nan 8.190 nan 0.000 0.431 230 I N 2.843 123.494 120.570 0.135 0.000 2.752 230 I HA 0.459 4.629 4.170 -0.001 0.000 0.295 230 I C -0.457 175.669 176.117 0.015 0.000 1.219 230 I CA -0.505 60.874 61.300 0.131 0.000 1.030 230 I CB 2.765 40.706 38.000 -0.097 0.000 1.259 230 I HN 0.661 nan 8.210 nan 0.000 0.423 231 E N 7.530 127.724 120.200 -0.010 0.000 2.316 231 E HA 0.175 4.525 4.350 -0.001 0.000 0.275 231 E C -1.945 174.497 176.600 -0.262 0.000 1.029 231 E CA -1.358 54.967 56.400 -0.125 0.000 0.871 231 E CB 0.739 30.352 29.700 -0.145 0.000 1.022 231 E HN 0.367 nan 8.360 nan 0.000 0.418 232 P HA -0.080 nan 4.420 nan 0.000 0.221 232 P C -0.354 176.825 177.300 -0.201 0.000 1.150 232 P CA 0.801 63.827 63.100 -0.123 0.000 0.800 232 P CB 0.409 32.093 31.700 -0.026 0.000 0.787 233 V N 0.280 120.047 119.914 -0.245 0.000 2.525 233 V HA 0.172 4.291 4.120 -0.001 0.000 0.299 233 V C -0.248 175.683 176.094 -0.273 0.000 1.034 233 V CA -0.914 61.225 62.300 -0.268 0.000 0.863 233 V CB 1.305 32.978 31.823 -0.250 0.000 0.999 233 V HN 0.086 nan 8.190 nan 0.000 0.423 234 H N 3.982 122.997 119.070 -0.091 0.000 3.086 234 H HA 0.176 4.731 4.556 -0.001 0.000 0.265 234 H C 1.039 176.360 175.328 -0.012 0.000 1.092 234 H CA 0.713 56.729 56.048 -0.054 0.000 1.487 234 H CB 1.285 31.018 29.762 -0.049 0.000 1.514 234 H HN 0.842 nan 8.280 nan 0.000 0.497 235 G N 3.407 112.267 108.800 0.099 0.000 2.662 235 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.215 235 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.215 235 G C 1.322 176.365 174.900 0.238 0.000 1.310 235 G CA -0.073 45.129 45.100 0.169 0.000 0.849 235 G HN 0.455 nan 8.290 nan 0.000 0.568 236 E N 0.981 121.213 120.200 0.054 0.000 2.171 236 E HA -0.116 4.233 4.350 -0.001 0.000 0.197 236 E C 2.546 179.150 176.600 0.006 0.000 0.997 236 E CA 1.090 57.446 56.400 -0.074 0.000 0.810 236 E CB -0.912 28.535 29.700 -0.423 0.000 0.738 236 E HN 0.387 nan 8.360 nan 0.000 0.467 237 G N -0.151 108.684 108.800 0.059 0.000 2.625 237 G HA2 0.068 4.028 3.960 -0.001 0.000 0.214 237 G HA3 0.068 4.028 3.960 -0.001 0.000 0.214 237 G C 0.983 175.869 174.900 -0.023 0.000 1.132 237 G CA 0.673 45.805 45.100 0.052 0.000 0.782 237 G HN 0.449 nan 8.290 nan 0.000 0.538 238 G N -1.206 107.599 108.800 0.008 0.000 2.161 238 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.140 238 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.140 238 G C 0.331 175.257 174.900 0.044 0.000 1.040 238 G CA -0.251 44.818 45.100 -0.051 0.000 0.735 238 G HN 0.494 nan 8.290 nan 0.000 0.496 239 F N -1.100 118.777 119.950 -0.122 0.000 3.004 239 F HA -0.199 4.328 4.527 -0.001 0.000 0.264 239 F C 1.038 176.747 175.800 -0.151 0.000 0.979 239 F CA 0.231 58.163 58.000 -0.113 0.000 0.896 239 F CB -1.976 36.959 39.000 -0.109 0.000 0.813 239 F HN 0.242 nan 8.300 nan 0.000 0.804 240 V N 1.184 121.074 119.914 -0.041 0.000 2.455 240 V HA 0.283 4.402 4.120 -0.001 0.000 0.273 240 V C 0.532 176.588 176.094 -0.064 0.000 1.045 240 V CA -0.628 61.552 62.300 -0.200 0.000 0.976 240 V CB 1.486 32.989 31.823 -0.533 0.000 0.993 240 V HN 0.052 nan 8.190 nan 0.000 0.475 241 V N 8.052 127.924 119.914 -0.069 0.000 2.370 241 V HA 0.334 4.454 4.120 -0.001 0.000 0.283 241 V C -2.128 173.944 176.094 -0.035 0.000 1.023 241 V CA -1.865 60.398 62.300 -0.061 0.000 0.857 241 V CB 1.422 33.212 31.823 -0.055 0.000 0.985 241 V HN 0.749 nan 8.190 nan 0.000 0.443 242 P HA 0.232 nan 4.420 nan 0.000 0.269 242 P C -0.074 177.227 177.300 0.002 0.000 1.215 242 P CA 0.001 63.057 63.100 -0.074 0.000 0.780 242 P CB 0.533 32.213 31.700 -0.034 0.000 0.898 243 A N 4.533 127.356 122.820 0.005 0.000 2.507 243 A HA 0.246 4.565 4.320 -0.001 0.000 0.235 243 A C -2.043 175.604 177.584 0.104 0.000 1.070 243 A CA -0.727 51.346 52.037 0.061 0.000 0.768 243 A CB -1.418 17.624 19.000 0.070 0.000 1.011 243 A HN 0.417 nan 8.150 nan 0.000 0.502 244 P HA 0.282 nan 4.420 nan 0.000 0.265 244 P C 0.979 178.344 177.300 0.108 0.000 1.193 244 P CA 1.777 64.930 63.100 0.087 0.000 0.765 244 P CB 0.661 32.398 31.700 0.061 0.000 0.823 245 G N 1.789 110.652 108.800 0.104 0.000 2.176 245 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.253 245 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.253 245 G C 0.734 175.699 174.900 0.108 0.000 0.979 245 G CA 0.144 45.295 45.100 0.086 0.000 0.641 245 G HN 0.488 nan 8.290 nan 0.000 0.530 246 F N 0.954 120.913 119.950 0.016 0.000 2.084 246 F HA 0.249 4.776 4.527 -0.001 0.000 0.296 246 F C 2.571 178.358 175.800 -0.021 0.000 1.111 246 F CA 2.143 60.149 58.000 0.010 0.000 1.224 246 F CB -0.294 38.718 39.000 0.021 0.000 0.991 246 F HN 0.168 nan 8.300 nan 0.000 0.471 247 L N -0.436 120.825 121.223 0.063 0.000 2.141 247 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 247 L C 2.726 179.485 176.870 -0.185 0.000 1.094 247 L CA 1.140 55.962 54.840 -0.031 0.000 0.763 247 L CB -1.492 40.649 42.059 0.137 0.000 0.908 247 L HN 0.331 nan 8.230 nan 0.000 0.437 248 G N -0.217 108.521 108.800 -0.102 0.000 2.418 248 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.217 248 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.217 248 G C 1.785 176.580 174.900 -0.174 0.000 1.158 248 G CA 0.808 45.840 45.100 -0.113 0.000 0.771 248 G HN 0.457 nan 8.290 nan 0.000 0.545 249 A N 0.551 123.266 122.820 -0.175 0.000 1.933 249 A HA 0.096 4.415 4.320 -0.001 0.000 0.218 249 A C 2.441 179.900 177.584 -0.208 0.000 1.175 249 A CA 1.265 53.206 52.037 -0.159 0.000 0.628 249 A CB -0.372 18.537 19.000 -0.151 0.000 0.814 249 A HN 0.361 nan 8.150 nan 0.000 0.444 250 L N -0.860 120.132 121.223 -0.385 0.000 2.056 250 L HA -0.239 4.101 4.340 -0.001 0.000 0.207 250 L C 2.909 179.459 176.870 -0.534 0.000 1.078 250 L CA 1.802 56.389 54.840 -0.421 0.000 0.749 250 L CB -0.627 41.133 42.059 -0.499 0.000 0.901 250 L HN 0.616 nan 8.230 nan 0.000 0.433 251 Q N 1.018 120.314 119.800 -0.839 0.000 2.061 251 Q HA -0.295 4.044 4.340 -0.001 0.000 0.204 251 Q C 2.270 178.147 176.000 -0.207 0.000 0.984 251 Q CA 2.111 57.515 55.803 -0.664 0.000 0.846 251 Q CB -0.016 28.452 28.738 -0.449 0.000 0.902 251 Q HN 0.366 nan 8.270 nan 0.000 0.421 252 K N -0.458 119.861 120.400 -0.135 0.000 2.032 252 K HA -0.215 4.104 4.320 -0.001 0.000 0.209 252 K C 1.815 178.419 176.600 0.007 0.000 1.048 252 K CA 1.632 57.890 56.287 -0.047 0.000 0.927 252 K CB -0.531 31.951 32.500 -0.030 0.000 0.712 252 K HN 0.411 nan 8.250 nan 0.000 0.441 253 W N 1.036 122.257 121.300 -0.131 0.000 2.338 253 W HA -0.271 4.389 4.660 -0.000 0.000 0.304 253 W C 1.972 178.457 176.519 -0.057 0.000 1.212 253 W CA 1.542 58.836 57.345 -0.085 0.000 1.264 253 W CB -0.410 28.998 29.460 -0.086 0.000 1.142 253 W HN 0.161 nan 8.180 nan 0.000 0.512 254 C N -0.011 119.447 119.300 0.263 0.000 2.429 254 C HA -0.182 4.278 4.460 -0.001 0.000 0.277 254 C C 2.626 177.595 174.990 -0.036 0.000 1.262 254 C CA 1.855 60.976 59.018 0.172 0.000 1.733 254 C CB -1.397 26.519 27.740 0.294 0.000 2.010 254 C HN 0.408 nan 8.230 nan 0.000 0.483 255 T N 0.796 115.328 114.554 -0.036 0.000 2.674 255 T HA -0.163 4.186 4.350 -0.001 0.000 0.265 255 T C 1.273 175.902 174.700 -0.118 0.000 1.039 255 T CA 1.814 63.879 62.100 -0.058 0.000 1.150 255 T CB -0.455 68.387 68.868 -0.045 0.000 0.864 255 T HN 0.474 nan 8.240 nan 0.000 0.427 256 D N 1.070 121.369 120.400 -0.169 0.000 2.218 256 D HA -0.033 4.606 4.640 -0.001 0.000 0.204 256 D C 1.714 177.832 176.300 -0.304 0.000 0.976 256 D CA 0.843 54.715 54.000 -0.214 0.000 0.853 256 D CB -0.189 40.474 40.800 -0.228 0.000 0.939 256 D HN 0.345 nan 8.370 nan 0.000 0.481 257 N N -1.103 117.323 118.700 -0.457 0.000 2.184 257 N HA 0.134 4.874 4.740 -0.001 0.000 0.206 257 N C 0.933 176.243 175.510 -0.335 0.000 1.151 257 N CA 0.601 53.316 53.050 -0.557 0.000 0.878 257 N CB 1.829 39.583 38.487 -1.222 0.000 1.014 257 N HN 0.155 nan 8.380 nan 0.000 0.512 258 G N 0.861 109.542 108.800 -0.198 0.000 2.143 258 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.249 258 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.249 258 G C 0.152 175.054 174.900 0.004 0.000 0.981 258 G CA 0.270 45.328 45.100 -0.071 0.000 0.665 258 G HN 0.549 nan 8.290 nan 0.000 0.528 259 A N -0.501 122.325 122.820 0.010 0.000 2.295 259 A HA 0.794 5.113 4.320 -0.001 0.000 0.318 259 A C 0.432 178.122 177.584 0.178 0.000 1.134 259 A CA -0.069 52.049 52.037 0.136 0.000 0.827 259 A CB 1.426 20.589 19.000 0.272 0.000 1.136 259 A HN 1.158 nan 8.150 nan 0.000 0.493 260 V N 2.309 122.335 119.914 0.186 0.000 2.389 260 V HA 0.148 4.267 4.120 -0.001 0.000 0.264 260 V C -0.232 175.992 176.094 0.216 0.000 1.049 260 V CA -0.067 62.328 62.300 0.158 0.000 0.932 260 V CB -0.201 31.682 31.823 0.099 0.000 1.011 260 V HN 0.657 nan 8.190 nan 0.000 0.475 261 F N 6.832 126.830 119.950 0.079 0.000 2.471 261 F HA 0.473 5.000 4.527 -0.001 0.000 0.365 261 F C 0.028 175.857 175.800 0.049 0.000 1.095 261 F CA -0.412 57.639 58.000 0.084 0.000 1.174 261 F CB 0.818 39.864 39.000 0.076 0.000 1.105 261 F HN 0.258 nan 8.300 nan 0.000 0.535 262 V N 6.774 126.430 119.914 -0.430 0.000 2.357 262 V HA 0.596 4.715 4.120 -0.001 0.000 0.284 262 V C 0.076 175.817 176.094 -0.588 0.000 1.018 262 V CA -0.935 61.131 62.300 -0.389 0.000 0.841 262 V CB 0.978 32.697 31.823 -0.172 0.000 0.991 262 V HN 0.976 nan 8.190 nan 0.000 0.437 263 A N 3.163 125.672 122.820 -0.518 0.000 2.302 263 A HA 0.439 4.758 4.320 -0.001 0.000 0.295 263 A C 0.053 177.546 177.584 -0.151 0.000 1.235 263 A CA -0.266 51.566 52.037 -0.341 0.000 0.876 263 A CB 0.146 19.000 19.000 -0.243 0.000 1.133 263 A HN 0.804 nan 8.150 nan 0.000 0.533 264 D N 2.778 123.138 120.400 -0.067 0.000 2.422 264 D HA 0.104 4.744 4.640 -0.001 0.000 0.227 264 D C 0.269 176.586 176.300 0.028 0.000 1.190 264 D CA 0.149 54.162 54.000 0.021 0.000 0.905 264 D CB 0.404 41.292 40.800 0.146 0.000 1.034 264 D HN 0.576 nan 8.370 nan 0.000 0.507 265 E N 2.769 122.994 120.200 0.042 0.000 2.423 265 E HA 0.042 4.391 4.350 -0.001 0.000 0.198 265 E C 1.588 178.267 176.600 0.132 0.000 1.038 265 E CA -0.149 56.304 56.400 0.089 0.000 1.011 265 E CB 0.933 30.721 29.700 0.146 0.000 1.118 265 E HN 0.333 nan 8.360 nan 0.000 0.451 266 V N 0.961 120.938 119.914 0.106 0.000 2.380 266 V HA -0.316 3.803 4.120 -0.001 0.000 0.251 266 V C 2.387 178.540 176.094 0.098 0.000 1.063 266 V CA 2.271 64.638 62.300 0.111 0.000 1.055 266 V CB -0.223 31.658 31.823 0.098 0.000 0.657 266 V HN 0.345 nan 8.190 nan 0.000 0.455 267 Q N -0.545 119.294 119.800 0.066 0.000 2.324 267 Q HA -0.089 4.251 4.340 -0.001 0.000 0.207 267 Q C 2.167 178.169 176.000 0.002 0.000 0.928 267 Q CA 1.210 57.031 55.803 0.030 0.000 0.890 267 Q CB 0.158 28.899 28.738 0.004 0.000 1.001 267 Q HN 0.746 nan 8.270 nan 0.000 0.517 268 T N -2.446 112.109 114.554 0.002 0.000 3.088 268 T HA 0.207 4.556 4.350 -0.001 0.000 0.259 268 T C 0.918 175.646 174.700 0.047 0.000 1.122 268 T CA 0.232 62.325 62.100 -0.012 0.000 1.095 268 T CB 0.093 68.947 68.868 -0.024 0.000 0.930 268 T HN 0.247 nan 8.240 nan 0.000 0.508 269 G N -0.020 108.866 108.800 0.143 0.000 2.580 269 G HA2 0.457 4.417 3.960 -0.001 0.000 0.278 269 G HA3 0.457 4.417 3.960 -0.001 0.000 0.278 269 G C -0.516 174.422 174.900 0.064 0.000 1.212 269 G CA -1.068 44.134 45.100 0.171 0.000 0.939 269 G HN 0.334 nan 8.290 nan 0.000 0.513 270 F N -1.081 118.596 119.950 -0.455 0.000 2.807 270 F HA -0.151 4.376 4.527 -0.001 0.000 0.297 270 F C 1.512 177.155 175.800 -0.263 0.000 1.024 270 F CA 1.293 59.065 58.000 -0.379 0.000 1.008 270 F CB -1.478 37.418 39.000 -0.172 0.000 1.142 270 F HN 1.684 nan 8.300 nan 0.000 0.829 271 A N -1.112 121.546 122.820 -0.270 0.000 3.383 271 A HA -0.404 3.916 4.320 -0.001 0.000 0.264 271 A C 1.673 179.207 177.584 -0.084 0.000 1.154 271 A CA 1.900 53.839 52.037 -0.163 0.000 1.179 271 A CB -1.359 17.579 19.000 -0.102 0.000 1.133 271 A HN 0.704 nan 8.150 nan 0.000 0.933 272 R N 1.171 121.634 120.500 -0.063 0.000 2.105 272 R HA -0.089 4.251 4.340 -0.001 0.000 0.239 272 R C 1.925 178.203 176.300 -0.037 0.000 1.135 272 R CA 2.952 59.028 56.100 -0.040 0.000 0.967 272 R CB -0.939 29.340 30.300 -0.035 0.000 0.861 272 R HN 1.067 nan 8.270 nan 0.000 0.442 273 T N -3.973 110.574 114.554 -0.013 0.000 3.105 273 T HA 0.325 4.674 4.350 -0.001 0.000 0.253 273 T C 1.134 175.908 174.700 0.124 0.000 1.047 273 T CA 0.153 62.275 62.100 0.037 0.000 0.944 273 T CB 0.381 69.309 68.868 0.100 0.000 1.016 273 T HN 0.390 nan 8.240 nan 0.000 0.544 274 G N 0.510 109.348 108.800 0.064 0.000 2.157 274 G HA2 0.079 4.038 3.960 -0.001 0.000 0.248 274 G HA3 0.079 4.038 3.960 -0.001 0.000 0.248 274 G C 0.168 175.101 174.900 0.055 0.000 0.979 274 G CA -0.227 44.915 45.100 0.070 0.000 0.650 274 G HN 1.265 nan 8.290 nan 0.000 0.529 275 A N -1.450 121.350 122.820 -0.032 0.000 2.485 275 A HA 0.871 5.190 4.320 -0.001 0.000 0.292 275 A C 0.926 178.362 177.584 -0.246 0.000 1.147 275 A CA 0.219 52.121 52.037 -0.226 0.000 0.750 275 A CB 0.944 19.594 19.000 -0.583 0.000 1.331 275 A HN 1.135 nan 8.150 nan 0.000 0.419 276 L N -0.130 120.914 121.223 -0.298 0.000 2.056 276 L HA 0.246 4.585 4.340 -0.001 0.000 0.207 276 L C -0.277 176.051 176.870 -0.902 0.000 1.078 276 L CA 1.962 56.482 54.840 -0.534 0.000 0.749 276 L CB -0.497 41.268 42.059 -0.489 0.000 0.901 276 L HN 0.566 nan 8.230 nan 0.000 0.433 277 F N -2.426 117.401 119.950 -0.205 0.000 2.563 277 F HA 0.540 5.066 4.527 -0.001 0.000 0.316 277 F C 1.117 176.837 175.800 -0.133 0.000 1.076 277 F CA -0.388 57.513 58.000 -0.165 0.000 0.921 277 F CB 1.149 40.048 39.000 -0.167 0.000 1.209 277 F HN -0.200 nan 8.300 nan 0.000 0.462 278 A N 0.139 123.030 122.820 0.118 0.000 2.015 278 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 278 A C 1.883 179.538 177.584 0.119 0.000 1.163 278 A CA 1.595 53.712 52.037 0.134 0.000 0.646 278 A CB -1.242 17.820 19.000 0.105 0.000 0.806 278 A HN 0.901 nan 8.150 nan 0.000 0.448 279 C N -0.271 119.084 119.300 0.092 0.000 2.419 279 C HA -0.098 4.361 4.460 -0.001 0.000 0.281 279 C C 2.438 177.455 174.990 0.046 0.000 1.336 279 C CA 1.018 60.084 59.018 0.080 0.000 1.770 279 C CB -1.389 26.392 27.740 0.068 0.000 1.929 279 C HN 0.668 nan 8.230 nan 0.000 0.509 280 E N -0.217 119.971 120.200 -0.021 0.000 2.160 280 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 280 E C 1.852 178.399 176.600 -0.089 0.000 0.991 280 E CA 0.971 57.319 56.400 -0.087 0.000 0.810 280 E CB -0.234 29.360 29.700 -0.177 0.000 0.742 280 E HN 0.743 nan 8.360 nan 0.000 0.466 281 H N 0.571 119.652 119.070 0.020 0.000 2.387 281 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 281 H C 0.960 176.299 175.328 0.018 0.000 1.099 281 H CA 1.143 57.198 56.048 0.012 0.000 1.315 281 H CB 0.162 29.926 29.762 0.004 0.000 1.380 281 H HN 0.262 nan 8.280 nan 0.000 0.513 282 E N 0.540 120.822 120.200 0.137 0.000 2.585 282 E HA 0.067 4.417 4.350 -0.001 0.000 0.206 282 E C -0.291 176.345 176.600 0.061 0.000 1.007 282 E CA -0.300 56.153 56.400 0.090 0.000 1.028 282 E CB 0.352 30.105 29.700 0.089 0.000 1.087 282 E HN 0.313 nan 8.360 nan 0.000 0.455 283 N N 0.507 119.235 118.700 0.047 0.000 2.716 283 N HA -0.165 4.575 4.740 -0.001 0.000 0.250 283 N C -0.552 174.984 175.510 0.043 0.000 1.033 283 N CA 0.507 53.577 53.050 0.033 0.000 0.727 283 N CB -1.258 37.244 38.487 0.025 0.000 0.950 283 N HN 0.027 nan 8.380 nan 0.000 0.541 284 V N 1.006 120.957 119.914 0.062 0.000 2.498 284 V HA 0.233 4.352 4.120 -0.001 0.000 0.279 284 V C 0.812 176.962 176.094 0.094 0.000 1.048 284 V CA -0.488 61.865 62.300 0.087 0.000 0.967 284 V CB 1.961 33.864 31.823 0.132 0.000 0.988 284 V HN 0.033 nan 8.190 nan 0.000 0.473 285 V N 8.152 128.129 119.914 0.105 0.000 2.293 285 V HA 0.351 4.470 4.120 -0.001 0.000 0.275 285 V C -1.949 174.248 176.094 0.171 0.000 1.021 285 V CA -1.444 60.926 62.300 0.115 0.000 0.815 285 V CB 1.353 33.249 31.823 0.121 0.000 1.025 285 V HN 0.763 nan 8.190 nan 0.000 0.448 286 P HA 0.305 nan 4.420 nan 0.000 0.278 286 P C 0.101 177.468 177.300 0.112 0.000 1.258 286 P CA -0.328 62.899 63.100 0.211 0.000 0.811 286 P CB 1.609 33.296 31.700 -0.023 0.000 1.063 287 D N -0.055 120.408 120.400 0.104 0.000 2.117 287 D HA 0.005 4.644 4.640 -0.001 0.000 0.198 287 D C 0.669 176.952 176.300 -0.028 0.000 0.982 287 D CA 1.479 55.484 54.000 0.009 0.000 0.828 287 D CB 0.170 40.984 40.800 0.023 0.000 0.967 287 D HN 0.293 nan 8.370 nan 0.000 0.464 288 L N 0.328 121.519 121.223 -0.054 0.000 2.370 288 L HA 0.540 4.879 4.340 -0.001 0.000 0.266 288 L C -0.627 176.172 176.870 -0.118 0.000 1.002 288 L CA -0.790 54.006 54.840 -0.073 0.000 0.818 288 L CB 3.204 45.223 42.059 -0.066 0.000 1.325 288 L HN -0.166 nan 8.230 nan 0.000 0.418 289 I N 1.751 122.252 120.570 -0.115 0.000 2.582 289 I HA 0.546 4.716 4.170 -0.001 0.000 0.292 289 I C -1.229 174.835 176.117 -0.088 0.000 1.066 289 I CA -0.655 60.557 61.300 -0.146 0.000 1.053 289 I CB 2.166 40.020 38.000 -0.242 0.000 1.241 289 I HN 0.238 nan 8.210 nan 0.000 0.421 290 V N 5.676 125.560 119.914 -0.050 0.000 2.435 290 V HA 0.615 4.735 4.120 -0.001 0.000 0.290 290 V C 0.114 176.252 176.094 0.073 0.000 1.030 290 V CA -0.318 61.992 62.300 0.017 0.000 0.881 290 V CB 1.489 33.321 31.823 0.016 0.000 0.983 290 V HN 0.841 nan 8.190 nan 0.000 0.445 291 T N 1.560 116.191 114.554 0.127 0.000 2.906 291 T HA 0.981 5.331 4.350 -0.001 0.000 0.295 291 T C -0.426 174.362 174.700 0.148 0.000 1.075 291 T CA -0.011 62.225 62.100 0.226 0.000 1.005 291 T CB 2.466 71.617 68.868 0.471 0.000 1.136 291 T HN 1.397 nan 8.240 nan 0.000 0.498 292 A N 0.960 123.849 122.820 0.115 0.000 3.287 292 A HA 0.772 5.091 4.320 -0.001 0.000 0.299 292 A C 0.197 177.767 177.584 -0.023 0.000 1.086 292 A CA -0.045 52.008 52.037 0.027 0.000 0.586 292 A CB -0.290 18.742 19.000 0.053 0.000 1.539 292 A HN 1.038 nan 8.150 nan 0.000 0.694 293 K N -2.138 118.244 120.400 -0.029 0.000 6.395 293 K HA -0.298 4.021 4.320 -0.001 0.000 0.314 293 K C 1.443 177.988 176.600 -0.091 0.000 0.630 293 K CA 2.073 58.342 56.287 -0.030 0.000 1.058 293 K CB -1.736 30.773 32.500 0.016 0.000 0.792 293 K HN 1.599 nan 8.250 nan 0.000 0.909 294 G N 1.115 109.865 108.800 -0.083 0.000 2.535 294 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 294 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 294 G C 1.266 175.936 174.900 -0.384 0.000 1.122 294 G CA 1.050 46.070 45.100 -0.133 0.000 0.769 294 G HN 0.481 nan 8.290 nan 0.000 0.549 295 I N 0.287 120.480 120.570 -0.628 0.000 2.226 295 I HA -0.040 4.129 4.170 -0.001 0.000 0.245 295 I C 2.248 178.028 176.117 -0.562 0.000 1.100 295 I CA 1.599 62.242 61.300 -1.094 0.000 1.374 295 I CB 0.165 37.707 38.000 -0.764 0.000 1.057 295 I HN 0.193 nan 8.210 nan 0.000 0.413 296 A N -0.418 122.210 122.820 -0.321 0.000 2.606 296 A HA 0.478 4.797 4.320 -0.001 0.000 0.290 296 A C 1.200 178.699 177.584 -0.142 0.000 1.174 296 A CA 0.302 52.217 52.037 -0.204 0.000 0.958 296 A CB -0.138 18.764 19.000 -0.163 0.000 1.194 296 A HN 0.634 nan 8.150 nan 0.000 0.526 297 G N -1.317 107.400 108.800 -0.139 0.000 2.225 297 G HA2 0.102 4.061 3.960 -0.001 0.000 0.267 297 G HA3 0.102 4.061 3.960 -0.001 0.000 0.267 297 G C 1.472 176.330 174.900 -0.071 0.000 1.024 297 G CA 1.265 46.310 45.100 -0.093 0.000 0.784 297 G HN 2.178 nan 8.290 nan 0.000 0.507 298 G N -2.420 106.336 108.800 -0.073 0.000 2.428 298 G HA2 0.002 3.962 3.960 -0.001 0.000 0.199 298 G HA3 0.002 3.962 3.960 -0.001 0.000 0.199 298 G C 0.255 175.120 174.900 -0.059 0.000 1.005 298 G CA 0.171 45.237 45.100 -0.056 0.000 0.671 298 G HN 1.095 nan 8.290 nan 0.000 0.485 299 L N 2.600 123.780 121.223 -0.071 0.000 2.395 299 L HA 0.542 4.882 4.340 -0.001 0.000 0.269 299 L C -1.956 174.873 176.870 -0.069 0.000 1.133 299 L CA -1.715 53.083 54.840 -0.071 0.000 0.812 299 L CB 0.416 42.429 42.059 -0.077 0.000 1.125 299 L HN -0.076 nan 8.230 nan 0.000 0.452 300 P HA 0.312 nan 4.420 nan 0.000 0.275 300 P C -1.147 176.133 177.300 -0.034 0.000 1.276 300 P CA -0.108 62.968 63.100 -0.040 0.000 0.782 300 P CB 0.676 32.351 31.700 -0.041 0.000 0.851 301 L N 3.236 124.437 121.223 -0.037 0.000 2.549 301 L HA 0.615 4.954 4.340 -0.001 0.000 0.259 301 L C -0.752 176.102 176.870 -0.027 0.000 0.934 301 L CA -0.142 54.670 54.840 -0.046 0.000 0.865 301 L CB 2.054 44.051 42.059 -0.102 0.000 1.352 301 L HN 0.425 nan 8.230 nan 0.000 0.410 302 S N 2.709 118.418 115.700 0.015 0.000 2.661 302 S HA 1.071 5.541 4.470 -0.001 0.000 0.285 302 S C -0.915 173.722 174.600 0.062 0.000 1.138 302 S CA -0.185 58.054 58.200 0.065 0.000 0.855 302 S CB 1.969 65.251 63.200 0.137 0.000 1.136 302 S HN 1.520 nan 8.310 nan 0.000 0.484 303 A N 0.275 123.162 122.820 0.112 0.000 2.604 303 A HA 0.747 5.066 4.320 -0.001 0.000 0.295 303 A C -1.559 176.112 177.584 0.144 0.000 1.067 303 A CA -0.742 51.346 52.037 0.084 0.000 0.683 303 A CB 1.443 20.447 19.000 0.008 0.000 1.281 303 A HN 1.239 nan 8.150 nan 0.000 0.407 304 V N 1.214 121.222 119.914 0.157 0.000 2.487 304 V HA 0.758 4.877 4.120 -0.001 0.000 0.298 304 V C -0.255 175.864 176.094 0.042 0.000 1.028 304 V CA -0.328 62.037 62.300 0.108 0.000 0.860 304 V CB 1.719 33.643 31.823 0.168 0.000 0.991 304 V HN 0.952 nan 8.190 nan 0.000 0.427 305 T N 2.989 117.538 114.554 -0.009 0.000 2.886 305 T HA 0.880 5.229 4.350 -0.001 0.000 0.292 305 T C 0.133 174.809 174.700 -0.040 0.000 1.012 305 T CA -0.239 61.839 62.100 -0.036 0.000 0.982 305 T CB 1.921 70.741 68.868 -0.080 0.000 1.018 305 T HN 1.200 nan 8.240 nan 0.000 0.451 306 G N 1.283 110.073 108.800 -0.017 0.000 2.428 306 G HA2 0.462 4.421 3.960 -0.001 0.000 0.304 306 G HA3 0.462 4.421 3.960 -0.001 0.000 0.304 306 G C -1.528 173.390 174.900 0.031 0.000 1.303 306 G CA -1.142 43.960 45.100 0.004 0.000 0.825 306 G HN 0.681 nan 8.290 nan 0.000 0.484 307 R N 0.230 120.731 120.500 0.002 0.000 2.537 307 R HA 0.285 4.625 4.340 -0.001 0.000 0.281 307 R C 1.654 177.918 176.300 -0.060 0.000 0.988 307 R CA 0.501 56.576 56.100 -0.041 0.000 1.077 307 R CB 0.862 31.021 30.300 -0.235 0.000 0.932 307 R HN 0.679 nan 8.270 nan 0.000 0.409 308 A N 4.199 127.016 122.820 -0.005 0.000 1.917 308 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 308 A C 1.688 179.242 177.584 -0.050 0.000 1.182 308 A CA 1.788 53.818 52.037 -0.013 0.000 0.633 308 A CB -0.222 18.787 19.000 0.013 0.000 0.819 308 A HN 0.823 nan 8.150 nan 0.000 0.448 309 E N 0.265 120.412 120.200 -0.087 0.000 2.072 309 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 309 E C 1.774 178.220 176.600 -0.257 0.000 0.985 309 E CA 1.283 57.628 56.400 -0.091 0.000 0.801 309 E CB -0.407 29.255 29.700 -0.063 0.000 0.750 309 E HN 0.716 nan 8.360 nan 0.000 0.452 310 I N 0.308 120.584 120.570 -0.490 0.000 2.233 310 I HA -0.200 3.970 4.170 -0.001 0.000 0.243 310 I C 2.119 178.099 176.117 -0.228 0.000 1.093 310 I CA 0.815 61.686 61.300 -0.716 0.000 1.380 310 I CB -0.304 37.339 38.000 -0.596 0.000 1.067 310 I HN 0.135 nan 8.210 nan 0.000 0.413 311 M N 0.124 119.650 119.600 -0.124 0.000 2.202 311 M HA -0.200 4.279 4.480 -0.001 0.000 0.262 311 M C 1.109 177.420 176.300 0.018 0.000 1.063 311 M CA 1.592 56.877 55.300 -0.025 0.000 1.097 311 M CB -1.141 31.454 32.600 -0.008 0.000 1.382 311 M HN 0.185 nan 8.290 nan 0.000 0.413 312 D N -0.100 120.309 120.400 0.016 0.000 2.336 312 D HA 0.112 4.751 4.640 -0.001 0.000 0.229 312 D C 1.861 178.215 176.300 0.090 0.000 1.061 312 D CA 0.352 54.383 54.000 0.052 0.000 0.875 312 D CB -0.323 40.505 40.800 0.046 0.000 0.904 312 D HN 0.368 nan 8.370 nan 0.000 0.525 313 G N 1.764 110.638 108.800 0.123 0.000 2.480 313 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.216 313 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.216 313 G C -1.425 173.546 174.900 0.118 0.000 1.200 313 G CA 0.083 45.296 45.100 0.188 0.000 0.782 313 G HN 0.279 nan 8.290 nan 0.000 0.554 314 P HA 0.183 nan 4.420 nan 0.000 0.268 314 P C -0.085 177.255 177.300 0.067 0.000 1.205 314 P CA -0.172 62.975 63.100 0.078 0.000 0.771 314 P CB 0.598 32.347 31.700 0.082 0.000 0.858 315 Q N 1.089 120.922 119.800 0.055 0.000 2.417 315 Q HA 0.191 4.530 4.340 -0.001 0.000 0.241 315 Q C 0.051 176.079 176.000 0.047 0.000 1.008 315 Q CA -0.591 55.239 55.803 0.045 0.000 0.901 315 Q CB 0.296 29.055 28.738 0.035 0.000 1.259 315 Q HN 0.309 nan 8.270 nan 0.000 0.489 316 S N 0.644 116.367 115.700 0.039 0.000 2.575 316 S HA 0.271 4.740 4.470 -0.001 0.000 0.295 316 S C 1.115 175.736 174.600 0.036 0.000 1.267 316 S CA 0.887 59.108 58.200 0.036 0.000 1.074 316 S CB -0.791 62.422 63.200 0.022 0.000 0.829 316 S HN 1.227 nan 8.310 nan 0.000 0.497 317 G N 3.539 112.366 108.800 0.045 0.000 2.179 317 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.260 317 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.260 317 G C 0.958 175.893 174.900 0.059 0.000 0.977 317 G CA 0.417 45.545 45.100 0.048 0.000 0.641 317 G HN 1.364 nan 8.290 nan 0.000 0.533 318 G N -0.359 108.480 108.800 0.064 0.000 2.464 318 G HA2 0.395 4.354 3.960 -0.001 0.000 0.217 318 G HA3 0.395 4.354 3.960 -0.001 0.000 0.217 318 G C 0.737 175.692 174.900 0.091 0.000 1.138 318 G CA 0.715 45.855 45.100 0.067 0.000 0.793 318 G HN 0.590 nan 8.290 nan 0.000 0.539 319 L N 0.053 121.353 121.223 0.127 0.000 2.329 319 L HA 0.752 5.092 4.340 -0.001 0.000 0.279 319 L C 0.541 177.553 176.870 0.236 0.000 1.014 319 L CA -0.375 54.588 54.840 0.205 0.000 0.814 319 L CB 2.046 44.264 42.059 0.265 0.000 1.257 319 L HN 0.230 nan 8.230 nan 0.000 0.424 320 G N 0.803 109.796 108.800 0.321 0.000 2.393 320 G HA2 0.618 4.577 3.960 -0.001 0.000 0.264 320 G HA3 0.618 4.577 3.960 -0.001 0.000 0.264 320 G C -0.881 174.203 174.900 0.306 0.000 1.221 320 G CA 0.044 45.309 45.100 0.276 0.000 0.912 320 G HN 0.999 nan 8.290 nan 0.000 0.483 321 G N -2.531 106.396 108.800 0.213 0.000 2.379 321 G HA2 0.475 4.435 3.960 -0.001 0.000 0.609 321 G HA3 0.475 4.435 3.960 -0.001 0.000 0.609 321 G C 0.391 175.398 174.900 0.178 0.000 1.484 321 G CA 0.694 45.912 45.100 0.196 0.000 0.921 321 G HN 1.269 nan 8.290 nan 0.000 0.658 322 T N 0.517 115.129 114.554 0.097 0.000 2.732 322 T HA -0.024 4.325 4.350 -0.001 0.000 0.261 322 T C 1.834 176.711 174.700 0.296 0.000 1.040 322 T CA 2.126 64.285 62.100 0.098 0.000 1.145 322 T CB -0.198 68.574 68.868 -0.160 0.000 0.866 322 T HN 0.481 nan 8.240 nan 0.000 0.427 323 Y N 1.459 121.921 120.300 0.269 0.000 2.475 323 Y HA 0.263 4.813 4.550 -0.001 0.000 0.289 323 Y C 1.965 178.028 175.900 0.273 0.000 1.121 323 Y CA -0.741 57.531 58.100 0.287 0.000 1.257 323 Y CB -0.151 38.411 38.460 0.169 0.000 1.026 323 Y HN 0.210 nan 8.280 nan 0.000 0.555 324 G N 0.335 109.372 108.800 0.395 0.000 2.321 324 G HA2 0.248 4.208 3.960 -0.001 0.000 0.237 324 G HA3 0.248 4.208 3.960 -0.001 0.000 0.237 324 G C 0.904 175.937 174.900 0.222 0.000 1.282 324 G CA 0.308 45.564 45.100 0.259 0.000 0.886 324 G HN 0.568 nan 8.290 nan 0.000 0.528 325 G N 1.368 110.193 108.800 0.042 0.000 2.298 325 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.287 325 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.287 325 G C 0.480 175.544 174.900 0.272 0.000 1.075 325 G CA 0.230 45.299 45.100 -0.052 0.000 0.960 325 G HN 1.065 nan 8.290 nan 0.000 0.502 326 N N 0.485 119.310 118.700 0.208 0.000 2.412 326 N HA 0.097 4.836 4.740 -0.001 0.000 0.254 326 N C -0.335 175.242 175.510 0.112 0.000 1.232 326 N CA -0.539 52.636 53.050 0.209 0.000 0.880 326 N CB 1.119 39.672 38.487 0.110 0.000 1.076 326 N HN 0.076 nan 8.380 nan 0.000 0.458 327 P HA -0.119 nan 4.420 nan 0.000 0.216 327 P C 1.528 178.710 177.300 -0.196 0.000 1.150 327 P CA 1.004 63.966 63.100 -0.229 0.000 0.837 327 P CB 0.262 31.565 31.700 -0.662 0.000 0.786 328 L N -0.316 120.805 121.223 -0.170 0.000 2.093 328 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 328 L C 2.668 179.479 176.870 -0.097 0.000 1.085 328 L CA 1.949 56.706 54.840 -0.140 0.000 0.755 328 L CB -1.822 40.166 42.059 -0.118 0.000 0.904 328 L HN -0.085 nan 8.230 nan 0.000 0.435 329 A N -1.539 121.239 122.820 -0.071 0.000 1.930 329 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 329 A C 2.422 179.960 177.584 -0.077 0.000 1.175 329 A CA 1.729 53.723 52.037 -0.071 0.000 0.627 329 A CB -1.197 17.770 19.000 -0.055 0.000 0.815 329 A HN 0.525 nan 8.150 nan 0.000 0.443 330 C N -1.100 118.173 119.300 -0.046 0.000 2.453 330 C HA 0.114 4.574 4.460 -0.001 0.000 0.277 330 C C 3.313 178.269 174.990 -0.057 0.000 1.262 330 C CA 0.626 59.620 59.018 -0.040 0.000 1.718 330 C CB -1.292 26.482 27.740 0.057 0.000 2.031 330 C HN 0.709 nan 8.230 nan 0.000 0.480 331 A N 0.792 123.574 122.820 -0.063 0.000 1.917 331 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 331 A C 2.354 179.891 177.584 -0.079 0.000 1.182 331 A CA 2.355 54.348 52.037 -0.073 0.000 0.633 331 A CB -0.946 17.997 19.000 -0.095 0.000 0.819 331 A HN 0.596 nan 8.150 nan 0.000 0.448 332 A N -0.258 122.510 122.820 -0.086 0.000 1.877 332 A HA 0.173 4.492 4.320 -0.001 0.000 0.216 332 A C 2.544 180.066 177.584 -0.103 0.000 1.186 332 A CA 2.152 54.136 52.037 -0.089 0.000 0.620 332 A CB -1.125 17.821 19.000 -0.090 0.000 0.822 332 A HN 1.124 nan 8.150 nan 0.000 0.443 333 A N -0.041 122.707 122.820 -0.120 0.000 1.883 333 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 333 A C 2.178 179.691 177.584 -0.119 0.000 1.186 333 A CA 1.667 53.617 52.037 -0.144 0.000 0.624 333 A CB -0.759 18.148 19.000 -0.155 0.000 0.822 333 A HN 0.492 nan 8.150 nan 0.000 0.444 334 L N -0.907 120.241 121.223 -0.124 0.000 2.042 334 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 334 L C 3.098 179.903 176.870 -0.107 0.000 1.076 334 L CA 1.183 55.930 54.840 -0.156 0.000 0.749 334 L CB -0.608 41.368 42.059 -0.138 0.000 0.893 334 L HN 0.472 nan 8.230 nan 0.000 0.432 335 A N -0.405 122.368 122.820 -0.079 0.000 1.898 335 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 335 A C 2.340 179.897 177.584 -0.045 0.000 1.181 335 A CA 1.620 53.623 52.037 -0.056 0.000 0.620 335 A CB -0.774 18.195 19.000 -0.053 0.000 0.819 335 A HN 0.179 nan 8.150 nan 0.000 0.442 336 V N 0.190 120.071 119.914 -0.056 0.000 2.287 336 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 336 V C 2.425 178.527 176.094 0.014 0.000 1.053 336 V CA 2.149 64.427 62.300 -0.037 0.000 1.027 336 V CB -0.685 31.086 31.823 -0.085 0.000 0.646 336 V HN 0.574 nan 8.190 nan 0.000 0.447 337 I N 0.177 120.761 120.570 0.023 0.000 2.226 337 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 337 I C 2.279 178.418 176.117 0.037 0.000 1.100 337 I CA 2.119 63.463 61.300 0.073 0.000 1.374 337 I CB -0.349 37.684 38.000 0.056 0.000 1.057 337 I HN 0.372 nan 8.210 nan 0.000 0.413 338 D N -0.072 120.329 120.400 0.002 0.000 2.144 338 D HA -0.155 4.485 4.640 -0.001 0.000 0.200 338 D C 2.055 178.360 176.300 0.008 0.000 0.978 338 D CA 1.358 55.363 54.000 0.009 0.000 0.833 338 D CB 0.203 41.001 40.800 -0.004 0.000 0.961 338 D HN 0.175 nan 8.370 nan 0.000 0.470 339 T N -0.140 114.415 114.554 0.001 0.000 2.777 339 T HA -0.073 4.276 4.350 -0.001 0.000 0.266 339 T C 2.030 176.731 174.700 0.002 0.000 1.040 339 T CA 0.715 62.815 62.100 -0.001 0.000 1.141 339 T CB -0.192 68.672 68.868 -0.007 0.000 0.868 339 T HN 0.184 nan 8.240 nan 0.000 0.444 340 I N 0.919 121.494 120.570 0.009 0.000 2.163 340 I HA -0.195 3.974 4.170 -0.001 0.000 0.243 340 I C 2.736 178.851 176.117 -0.005 0.000 1.085 340 I CA 1.414 62.715 61.300 0.002 0.000 1.347 340 I CB -0.292 37.714 38.000 0.010 0.000 1.044 340 I HN 0.216 nan 8.210 nan 0.000 0.408 341 E N 1.265 121.468 120.200 0.006 0.000 2.028 341 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 341 E C 2.305 178.906 176.600 0.002 0.000 0.988 341 E CA 1.435 57.837 56.400 0.005 0.000 0.799 341 E CB -0.059 29.653 29.700 0.021 0.000 0.755 341 E HN 0.208 nan 8.360 nan 0.000 0.447 342 R N 0.048 120.551 120.500 0.005 0.000 2.096 342 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 342 R C 1.419 177.719 176.300 -0.001 0.000 1.127 342 R CA 1.553 57.654 56.100 0.003 0.000 0.968 342 R CB -0.070 30.232 30.300 0.004 0.000 0.861 342 R HN 0.283 nan 8.270 nan 0.000 0.440 343 E N 0.200 120.398 120.200 -0.003 0.000 2.465 343 E HA 0.060 4.410 4.350 -0.001 0.000 0.195 343 E C -0.692 175.903 176.600 -0.008 0.000 1.028 343 E CA -0.187 56.210 56.400 -0.004 0.000 0.899 343 E CB 0.140 29.837 29.700 -0.005 0.000 1.032 343 E HN 0.347 nan 8.360 nan 0.000 0.468 344 N N 1.083 119.777 118.700 -0.010 0.000 2.705 344 N HA -0.208 4.532 4.740 -0.001 0.000 0.255 344 N C 0.523 176.021 175.510 -0.020 0.000 1.008 344 N CA 0.001 53.042 53.050 -0.015 0.000 0.742 344 N CB -1.136 37.344 38.487 -0.012 0.000 0.906 344 N HN 0.240 nan 8.380 nan 0.000 0.541 345 L N -1.002 120.207 121.223 -0.023 0.000 2.395 345 L HA -0.030 4.309 4.340 -0.001 0.000 0.218 345 L C 2.025 178.874 176.870 -0.035 0.000 1.130 345 L CA 0.431 55.256 54.840 -0.025 0.000 0.826 345 L CB -0.089 41.957 42.059 -0.022 0.000 0.941 345 L HN 0.268 nan 8.230 nan 0.000 0.451 346 V N 0.448 120.334 119.914 -0.047 0.000 2.261 346 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 346 V C 2.842 178.916 176.094 -0.034 0.000 1.047 346 V CA 1.902 64.168 62.300 -0.056 0.000 1.015 346 V CB -0.862 30.913 31.823 -0.079 0.000 0.642 346 V HN 0.488 nan 8.190 nan 0.000 0.446 347 A N 0.480 123.284 122.820 -0.027 0.000 1.892 347 A HA -0.322 3.998 4.320 -0.001 0.000 0.218 347 A C 2.303 179.877 177.584 -0.016 0.000 1.188 347 A CA 2.546 54.573 52.037 -0.017 0.000 0.631 347 A CB -0.610 18.382 19.000 -0.015 0.000 0.822 347 A HN 0.474 nan 8.150 nan 0.000 0.447 348 R N 0.212 120.700 120.500 -0.019 0.000 2.083 348 R HA -0.051 4.288 4.340 -0.001 0.000 0.237 348 R C 2.179 178.465 176.300 -0.023 0.000 1.137 348 R CA 2.142 58.231 56.100 -0.019 0.000 0.951 348 R CB -1.152 29.136 30.300 -0.019 0.000 0.851 348 R HN 0.405 nan 8.270 nan 0.000 0.434 349 A N 0.777 123.581 122.820 -0.026 0.000 1.917 349 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 349 A C 2.271 179.843 177.584 -0.019 0.000 1.182 349 A CA 1.823 53.844 52.037 -0.027 0.000 0.633 349 A CB -0.555 18.428 19.000 -0.027 0.000 0.819 349 A HN 0.409 nan 8.150 nan 0.000 0.448 350 R N -0.871 119.624 120.500 -0.009 0.000 2.081 350 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 350 R C 2.486 178.780 176.300 -0.011 0.000 1.131 350 R CA 1.233 57.332 56.100 -0.002 0.000 0.960 350 R CB -0.433 29.872 30.300 0.008 0.000 0.856 350 R HN 0.541 nan 8.270 nan 0.000 0.436 351 A N 1.041 123.852 122.820 -0.014 0.000 1.930 351 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 351 A C 2.115 179.685 177.584 -0.023 0.000 1.175 351 A CA 0.980 53.008 52.037 -0.015 0.000 0.627 351 A CB -0.377 18.616 19.000 -0.012 0.000 0.815 351 A HN 0.170 nan 8.150 nan 0.000 0.443 352 I N -0.296 120.255 120.570 -0.032 0.000 2.179 352 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 352 I C 2.725 178.812 176.117 -0.049 0.000 1.088 352 I CA 1.239 62.508 61.300 -0.050 0.000 1.357 352 I CB -0.626 37.333 38.000 -0.067 0.000 1.051 352 I HN 0.412 nan 8.210 nan 0.000 0.409 353 G N 0.261 109.039 108.800 -0.036 0.000 2.440 353 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.218 353 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.218 353 G C 1.705 176.591 174.900 -0.024 0.000 1.154 353 G CA 1.322 46.406 45.100 -0.027 0.000 0.767 353 G HN 0.491 nan 8.290 nan 0.000 0.552 354 E N 0.154 120.341 120.200 -0.022 0.000 2.077 354 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 354 E C 2.451 179.038 176.600 -0.021 0.000 0.989 354 E CA 1.974 58.363 56.400 -0.018 0.000 0.800 354 E CB -1.399 28.293 29.700 -0.014 0.000 0.746 354 E HN 0.413 nan 8.360 nan 0.000 0.452 355 T N 0.313 114.851 114.554 -0.025 0.000 2.737 355 T HA -0.068 4.281 4.350 -0.001 0.000 0.265 355 T C 2.236 176.914 174.700 -0.037 0.000 1.038 355 T CA 1.616 63.699 62.100 -0.027 0.000 1.144 355 T CB -0.267 68.586 68.868 -0.026 0.000 0.866 355 T HN 0.403 nan 8.240 nan 0.000 0.434 356 M N 0.410 119.981 119.600 -0.048 0.000 2.117 356 M HA 0.008 4.487 4.480 -0.001 0.000 0.262 356 M C 2.306 178.583 176.300 -0.038 0.000 1.065 356 M CA 1.515 56.779 55.300 -0.061 0.000 1.114 356 M CB -0.630 31.928 32.600 -0.071 0.000 1.361 356 M HN 0.194 nan 8.290 nan 0.000 0.408 357 L N -0.832 120.379 121.223 -0.021 0.000 2.093 357 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 357 L C 2.782 179.638 176.870 -0.023 0.000 1.085 357 L CA 1.000 55.831 54.840 -0.014 0.000 0.755 357 L CB -0.533 41.519 42.059 -0.012 0.000 0.904 357 L HN 0.314 nan 8.230 nan 0.000 0.435 358 S N -0.528 115.157 115.700 -0.025 0.000 2.348 358 S HA -0.146 4.323 4.470 -0.001 0.000 0.221 358 S C 2.252 176.832 174.600 -0.034 0.000 1.033 358 S CA 1.011 59.196 58.200 -0.026 0.000 1.010 358 S CB -0.021 63.166 63.200 -0.021 0.000 0.891 358 S HN 0.266 nan 8.310 nan 0.000 0.442 359 R N 0.762 121.238 120.500 -0.041 0.000 2.066 359 R HA 0.085 4.424 4.340 -0.001 0.000 0.232 359 R C 2.385 178.643 176.300 -0.070 0.000 1.131 359 R CA 1.120 57.190 56.100 -0.051 0.000 0.955 359 R CB -1.294 28.975 30.300 -0.053 0.000 0.851 359 R HN 0.452 nan 8.270 nan 0.000 0.432 360 L N -0.270 120.909 121.223 -0.072 0.000 2.141 360 L HA -0.047 4.292 4.340 -0.001 0.000 0.209 360 L C 2.533 179.355 176.870 -0.080 0.000 1.094 360 L CA 1.275 56.063 54.840 -0.085 0.000 0.763 360 L CB -0.872 41.161 42.059 -0.043 0.000 0.908 360 L HN 0.299 nan 8.230 nan 0.000 0.437 361 G N -0.045 108.723 108.800 -0.055 0.000 2.446 361 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 361 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 361 G C 1.776 176.642 174.900 -0.056 0.000 1.168 361 G CA 0.896 45.967 45.100 -0.048 0.000 0.771 361 G HN 0.466 nan 8.290 nan 0.000 0.551 362 A N 0.112 122.899 122.820 -0.055 0.000 1.933 362 A HA 0.075 4.395 4.320 -0.001 0.000 0.218 362 A C 2.362 179.903 177.584 -0.070 0.000 1.175 362 A CA 1.648 53.654 52.037 -0.051 0.000 0.628 362 A CB -0.409 18.566 19.000 -0.042 0.000 0.814 362 A HN 0.380 nan 8.150 nan 0.000 0.444 363 L N -0.203 120.958 121.223 -0.103 0.000 2.017 363 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 363 L C 2.793 179.567 176.870 -0.159 0.000 1.073 363 L CA 2.155 56.901 54.840 -0.157 0.000 0.745 363 L CB -0.875 41.035 42.059 -0.249 0.000 0.894 363 L HN 0.362 nan 8.230 nan 0.000 0.432 364 A N -0.763 121.972 122.820 -0.142 0.000 1.940 364 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 364 A C 2.424 179.970 177.584 -0.063 0.000 1.176 364 A CA 1.864 53.837 52.037 -0.107 0.000 0.631 364 A CB -1.110 17.839 19.000 -0.084 0.000 0.814 364 A HN 0.546 nan 8.150 nan 0.000 0.446 365 A N -0.566 122.223 122.820 -0.052 0.000 1.972 365 A HA 0.206 4.525 4.320 -0.001 0.000 0.219 365 A C 2.334 179.902 177.584 -0.027 0.000 1.169 365 A CA 1.956 53.974 52.037 -0.031 0.000 0.635 365 A CB -0.650 18.334 19.000 -0.026 0.000 0.810 365 A HN 1.056 nan 8.150 nan 0.000 0.446 366 A N -1.771 121.026 122.820 -0.038 0.000 2.095 366 A HA 0.181 4.501 4.320 -0.001 0.000 0.212 366 A C 0.679 178.250 177.584 -0.022 0.000 1.162 366 A CA 0.837 52.858 52.037 -0.027 0.000 0.753 366 A CB 0.154 19.136 19.000 -0.029 0.000 0.840 366 A HN 0.320 nan 8.150 nan 0.000 0.468 367 D N -0.542 119.834 120.400 -0.039 0.000 2.440 367 D HA 0.285 4.925 4.640 -0.001 0.000 0.252 367 D C -2.391 173.903 176.300 -0.010 0.000 1.180 367 D CA -1.656 52.331 54.000 -0.021 0.000 0.894 367 D CB 1.722 42.492 40.800 -0.050 0.000 1.111 367 D HN 0.013 nan 8.370 nan 0.000 0.544 368 P HA 0.051 nan 4.420 nan 0.000 0.242 368 P C 0.960 178.287 177.300 0.045 0.000 1.197 368 P CA 0.091 63.205 63.100 0.024 0.000 0.765 368 P CB 0.384 32.100 31.700 0.027 0.000 0.936 369 R N -0.208 120.329 120.500 0.062 0.000 2.189 369 R HA 0.089 4.428 4.340 -0.001 0.000 0.223 369 R C 0.993 177.347 176.300 0.090 0.000 1.092 369 R CA 0.458 56.615 56.100 0.095 0.000 0.989 369 R CB -0.393 29.995 30.300 0.146 0.000 0.876 369 R HN 0.266 nan 8.270 nan 0.000 0.457 370 I N 1.102 121.693 120.570 0.034 0.000 2.294 370 I HA 0.032 4.201 4.170 -0.001 0.000 0.295 370 I C 1.455 177.560 176.117 -0.020 0.000 1.098 370 I CA -0.188 61.103 61.300 -0.015 0.000 1.277 370 I CB 1.479 39.416 38.000 -0.105 0.000 1.434 370 I HN 0.171 nan 8.210 nan 0.000 0.498 371 G N 5.235 114.021 108.800 -0.023 0.000 2.403 371 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.216 371 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.216 371 G C 0.475 175.224 174.900 -0.252 0.000 1.154 371 G CA 0.358 45.454 45.100 -0.007 0.000 0.784 371 G HN 0.610 nan 8.290 nan 0.000 0.538 372 E N -1.276 118.675 120.200 -0.416 0.000 2.392 372 E HA 0.466 4.815 4.350 -0.001 0.000 0.279 372 E C -1.879 174.593 176.600 -0.213 0.000 0.964 372 E CA -0.691 55.483 56.400 -0.378 0.000 0.777 372 E CB 2.372 31.653 29.700 -0.699 0.000 1.249 372 E HN -0.094 nan 8.360 nan 0.000 0.449 373 V N 3.717 123.559 119.914 -0.120 0.000 2.448 373 V HA 0.643 4.763 4.120 -0.001 0.000 0.295 373 V C -0.254 175.820 176.094 -0.033 0.000 1.025 373 V CA -0.557 61.712 62.300 -0.051 0.000 0.859 373 V CB 1.133 32.940 31.823 -0.026 0.000 0.988 373 V HN 0.706 nan 8.190 nan 0.000 0.431 374 R N 2.977 123.475 120.500 -0.003 0.000 2.795 374 R HA 0.956 5.295 4.340 -0.001 0.000 0.268 374 R C 0.009 176.337 176.300 0.047 0.000 1.041 374 R CA -0.332 55.772 56.100 0.007 0.000 0.927 374 R CB 1.987 32.282 30.300 -0.008 0.000 1.235 374 R HN 1.346 nan 8.270 nan 0.000 0.463 375 G N 0.313 109.119 108.800 0.010 0.000 2.498 375 G HA2 0.005 3.964 3.960 -0.001 0.000 0.651 375 G HA3 0.005 3.964 3.960 -0.001 0.000 0.651 375 G C -1.421 173.449 174.900 -0.051 0.000 1.284 375 G CA -0.806 44.286 45.100 -0.013 0.000 0.950 375 G HN 0.657 nan 8.290 nan 0.000 0.511 376 R N -0.658 119.791 120.500 -0.086 0.000 2.740 376 R HA 0.644 4.984 4.340 -0.001 0.000 0.273 376 R C 0.814 177.073 176.300 -0.067 0.000 0.998 376 R CA 0.163 56.199 56.100 -0.107 0.000 0.900 376 R CB 1.663 31.825 30.300 -0.229 0.000 1.223 376 R HN 2.543 nan 8.270 nan 0.000 0.466 377 G N 1.189 109.963 108.800 -0.044 0.000 2.556 377 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.283 377 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.283 377 G C 0.186 175.072 174.900 -0.024 0.000 1.177 377 G CA 0.252 45.338 45.100 -0.024 0.000 0.978 377 G HN 0.756 nan 8.290 nan 0.000 0.554 378 A N -0.483 122.320 122.820 -0.028 0.000 2.640 378 A HA 0.691 5.011 4.320 -0.001 0.000 0.282 378 A C 0.766 178.354 177.584 0.007 0.000 1.357 378 A CA 1.134 53.155 52.037 -0.026 0.000 0.946 378 A CB -0.249 18.725 19.000 -0.043 0.000 1.065 378 A HN 1.079 nan 8.150 nan 0.000 0.541 379 M N 1.531 121.129 119.600 -0.003 0.000 2.066 379 M HA 0.425 4.905 4.480 -0.001 0.000 0.264 379 M C -1.959 174.415 176.300 0.124 0.000 0.886 379 M CA -0.255 55.032 55.300 -0.023 0.000 0.810 379 M CB 0.194 32.608 32.600 -0.310 0.000 1.451 379 M HN 0.067 nan 8.290 nan 0.000 0.373 380 I N 2.174 122.958 120.570 0.356 0.000 2.646 380 I HA 0.846 5.016 4.170 -0.001 0.000 0.299 380 I C -0.319 176.011 176.117 0.356 0.000 1.036 380 I CA -0.647 60.856 61.300 0.338 0.000 1.074 380 I CB 1.810 39.964 38.000 0.256 0.000 1.258 380 I HN 0.645 nan 8.210 nan 0.000 0.430 381 A N 4.582 127.525 122.820 0.205 0.000 2.572 381 A HA 0.826 5.146 4.320 -0.001 0.000 0.295 381 A C -1.086 176.487 177.584 -0.017 0.000 1.072 381 A CA -0.574 51.401 52.037 -0.104 0.000 0.691 381 A CB 2.044 20.904 19.000 -0.233 0.000 1.291 381 A HN 0.572 nan 8.150 nan 0.000 0.404 382 V N -0.925 118.944 119.914 -0.075 0.000 2.555 382 V HA 0.784 4.904 4.120 -0.001 0.000 0.302 382 V C -0.378 175.676 176.094 -0.067 0.000 1.038 382 V CA -0.596 61.695 62.300 -0.015 0.000 0.887 382 V CB 1.420 33.297 31.823 0.090 0.000 0.991 382 V HN 0.989 nan 8.190 nan 0.000 0.434 383 E N 4.134 124.272 120.200 -0.103 0.000 2.134 383 E HA 0.569 4.919 4.350 -0.001 0.000 0.278 383 E C -1.186 175.399 176.600 -0.026 0.000 0.959 383 E CA -0.706 55.646 56.400 -0.080 0.000 0.783 383 E CB 1.439 31.052 29.700 -0.145 0.000 1.095 383 E HN 0.835 nan 8.360 nan 0.000 0.399 384 L N 5.478 126.729 121.223 0.046 0.000 2.289 384 L HA 0.496 4.836 4.340 -0.001 0.000 0.285 384 L C -0.157 176.771 176.870 0.096 0.000 1.049 384 L CA -0.830 54.063 54.840 0.088 0.000 0.804 384 L CB 1.048 43.174 42.059 0.112 0.000 1.195 384 L HN 0.436 nan 8.230 nan 0.000 0.428 385 V N -0.063 119.913 119.914 0.103 0.000 3.160 385 V HA 0.506 4.625 4.120 -0.001 0.000 0.310 385 V C -0.428 175.711 176.094 0.075 0.000 1.181 385 V CA -1.222 61.139 62.300 0.102 0.000 1.047 385 V CB 1.948 33.866 31.823 0.157 0.000 1.068 385 V HN 0.664 nan 8.190 nan 0.000 0.441 386 K N 1.928 122.358 120.400 0.051 0.000 2.412 386 K HA 0.345 4.664 4.320 -0.001 0.000 0.281 386 K C -2.494 174.131 176.600 0.041 0.000 1.027 386 K CA -1.478 54.831 56.287 0.037 0.000 0.989 386 K CB 0.934 33.444 32.500 0.017 0.000 0.935 386 K HN 0.562 nan 8.250 nan 0.000 0.475 387 P HA -0.048 nan 4.420 nan 0.000 0.264 387 P C 0.118 177.436 177.300 0.029 0.000 1.183 387 P CA 0.735 63.859 63.100 0.039 0.000 0.763 387 P CB 0.393 32.112 31.700 0.032 0.000 0.807 388 G N 1.222 110.043 108.800 0.034 0.000 2.160 388 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.251 388 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.251 388 G C 0.228 175.131 174.900 0.005 0.000 1.008 388 G CA 0.486 45.598 45.100 0.020 0.000 0.724 388 G HN 0.914 nan 8.290 nan 0.000 0.514 389 T N -5.009 109.553 114.554 0.012 0.000 2.731 389 T HA 0.689 5.039 4.350 -0.001 0.000 0.300 389 T C 0.787 175.472 174.700 -0.026 0.000 1.283 389 T CA 0.858 62.943 62.100 -0.026 0.000 1.005 389 T CB 1.400 70.250 68.868 -0.030 0.000 1.420 389 T HN 1.100 nan 8.240 nan 0.000 0.503 390 T N -2.206 112.280 114.554 -0.115 0.000 3.134 390 T HA 0.336 4.686 4.350 -0.001 0.000 0.260 390 T C 0.115 174.752 174.700 -0.105 0.000 1.027 390 T CA -0.376 61.623 62.100 -0.168 0.000 0.913 390 T CB -0.408 68.189 68.868 -0.452 0.000 1.046 390 T HN 0.694 nan 8.240 nan 0.000 0.553 391 E N 3.948 124.105 120.200 -0.072 0.000 2.366 391 E HA 0.179 4.529 4.350 -0.001 0.000 0.266 391 E C -2.331 174.252 176.600 -0.028 0.000 1.015 391 E CA -1.825 54.532 56.400 -0.072 0.000 0.906 391 E CB 0.566 30.238 29.700 -0.046 0.000 0.979 391 E HN 0.359 nan 8.360 nan 0.000 0.443 392 P HA 0.010 nan 4.420 nan 0.000 0.271 392 P C -0.610 176.710 177.300 0.033 0.000 1.218 392 P CA -0.006 63.103 63.100 0.015 0.000 0.780 392 P CB 0.670 32.381 31.700 0.019 0.000 0.901 393 D N 1.553 121.984 120.400 0.052 0.000 2.456 393 D HA 0.344 4.983 4.640 -0.001 0.000 0.287 393 D C 1.092 177.413 176.300 0.035 0.000 1.186 393 D CA -0.635 53.388 54.000 0.038 0.000 0.916 393 D CB 0.334 41.157 40.800 0.037 0.000 1.029 393 D HN 0.225 nan 8.370 nan 0.000 0.498 394 A N 2.172 125.016 122.820 0.039 0.000 1.969 394 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 394 A C 1.707 179.291 177.584 -0.000 0.000 1.169 394 A CA 1.076 53.130 52.037 0.028 0.000 0.635 394 A CB 0.037 19.062 19.000 0.042 0.000 0.810 394 A HN 0.362 nan 8.150 nan 0.000 0.445 395 D N -0.078 120.321 120.400 -0.002 0.000 2.104 395 D HA -0.165 4.474 4.640 -0.001 0.000 0.194 395 D C 1.854 178.134 176.300 -0.034 0.000 0.994 395 D CA 1.469 55.459 54.000 -0.018 0.000 0.830 395 D CB -0.548 40.244 40.800 -0.014 0.000 0.959 395 D HN 0.379 nan 8.370 nan 0.000 0.452 396 L N 1.131 122.337 121.223 -0.028 0.000 2.042 396 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 396 L C 2.148 178.966 176.870 -0.087 0.000 1.076 396 L CA 1.785 56.593 54.840 -0.053 0.000 0.749 396 L CB -0.957 41.087 42.059 -0.024 0.000 0.893 396 L HN -0.056 nan 8.230 nan 0.000 0.432 397 T N -0.434 114.086 114.554 -0.056 0.000 2.746 397 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 397 T C 1.850 176.488 174.700 -0.103 0.000 1.039 397 T CA 1.822 63.879 62.100 -0.071 0.000 1.142 397 T CB -0.199 68.647 68.868 -0.036 0.000 0.866 397 T HN 0.377 nan 8.240 nan 0.000 0.444 398 K N 0.691 121.042 120.400 -0.082 0.000 2.097 398 K HA -0.037 4.282 4.320 -0.001 0.000 0.206 398 K C 2.606 179.134 176.600 -0.121 0.000 1.049 398 K CA 1.030 57.263 56.287 -0.089 0.000 0.933 398 K CB -0.118 32.348 32.500 -0.057 0.000 0.717 398 K HN 0.170 nan 8.250 nan 0.000 0.442 399 R N 0.507 120.936 120.500 -0.119 0.000 2.066 399 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 399 R C 2.270 178.458 176.300 -0.187 0.000 1.131 399 R CA 1.115 57.136 56.100 -0.132 0.000 0.955 399 R CB -0.276 29.956 30.300 -0.114 0.000 0.851 399 R HN -0.023 nan 8.270 nan 0.000 0.432 400 V N 0.719 120.488 119.914 -0.242 0.000 2.343 400 V HA -0.262 3.858 4.120 -0.001 0.000 0.247 400 V C 2.331 178.257 176.094 -0.279 0.000 1.051 400 V CA 2.019 64.124 62.300 -0.325 0.000 1.036 400 V CB -0.694 30.841 31.823 -0.480 0.000 0.654 400 V HN 0.473 nan 8.190 nan 0.000 0.451 401 A N -0.151 122.501 122.820 -0.280 0.000 1.933 401 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 401 A C 2.395 179.575 177.584 -0.674 0.000 1.175 401 A CA 2.019 53.789 52.037 -0.444 0.000 0.628 401 A CB -0.683 18.120 19.000 -0.329 0.000 0.814 401 A HN 0.571 nan 8.150 nan 0.000 0.444 402 A N -0.299 122.304 122.820 -0.363 0.000 1.930 402 A HA 0.250 4.569 4.320 -0.001 0.000 0.217 402 A C 2.461 179.946 177.584 -0.164 0.000 1.175 402 A CA 1.812 53.714 52.037 -0.227 0.000 0.627 402 A CB -0.854 18.079 19.000 -0.111 0.000 0.815 402 A HN 0.963 nan 8.150 nan 0.000 0.443 403 A N -0.118 122.601 122.820 -0.168 0.000 1.898 403 A HA 0.238 4.557 4.320 -0.001 0.000 0.216 403 A C 2.483 180.005 177.584 -0.103 0.000 1.181 403 A CA 1.842 53.809 52.037 -0.117 0.000 0.620 403 A CB -0.938 17.984 19.000 -0.129 0.000 0.819 403 A HN 0.954 nan 8.150 nan 0.000 0.442 404 A N -0.444 122.286 122.820 -0.150 0.000 1.877 404 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 404 A C 1.902 179.486 177.584 -0.000 0.000 1.186 404 A CA 1.660 53.641 52.037 -0.093 0.000 0.620 404 A CB -1.090 17.853 19.000 -0.095 0.000 0.822 404 A HN 0.756 nan 8.150 nan 0.000 0.443 405 H N -0.662 118.383 119.070 -0.042 0.000 2.387 405 H HA -0.039 4.517 4.556 -0.001 0.000 0.299 405 H C 2.450 177.759 175.328 -0.033 0.000 1.099 405 H CA 0.701 56.728 56.048 -0.035 0.000 1.315 405 H CB -0.014 29.731 29.762 -0.027 0.000 1.380 405 H HN 0.566 nan 8.280 nan 0.000 0.513 406 A N 0.995 123.864 122.820 0.081 0.000 2.019 406 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 406 A C 1.901 179.494 177.584 0.014 0.000 1.164 406 A CA 1.292 53.349 52.037 0.034 0.000 0.644 406 A CB -0.159 18.843 19.000 0.004 0.000 0.805 406 A HN 0.475 nan 8.150 nan 0.000 0.449 407 Q N -1.295 118.506 119.800 0.002 0.000 2.247 407 Q HA 0.296 4.635 4.340 -0.001 0.000 0.205 407 Q C 0.755 176.744 176.000 -0.017 0.000 0.896 407 Q CA 0.243 56.038 55.803 -0.013 0.000 0.950 407 Q CB 0.158 28.878 28.738 -0.030 0.000 1.054 407 Q HN 0.839 nan 8.270 nan 0.000 0.482 408 G N 1.705 110.505 108.800 -0.001 0.000 2.160 408 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 408 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 408 G C -0.525 174.354 174.900 -0.035 0.000 1.022 408 G CA -0.008 45.085 45.100 -0.012 0.000 0.741 408 G HN 0.297 nan 8.290 nan 0.000 0.508 409 L N 0.853 122.059 121.223 -0.027 0.000 2.319 409 L HA 0.710 5.049 4.340 -0.001 0.000 0.281 409 L C 0.170 177.072 176.870 0.054 0.000 1.005 409 L CA -1.044 53.750 54.840 -0.077 0.000 0.828 409 L CB 2.066 44.016 42.059 -0.183 0.000 1.227 409 L HN 0.080 nan 8.230 nan 0.000 0.415 410 V N 6.526 126.464 119.914 0.040 0.000 2.352 410 V HA 0.298 4.418 4.120 -0.001 0.000 0.253 410 V C 0.046 176.253 176.094 0.188 0.000 1.083 410 V CA -0.255 62.083 62.300 0.064 0.000 0.993 410 V CB 0.449 32.276 31.823 0.007 0.000 1.111 410 V HN 0.576 nan 8.190 nan 0.000 0.490 411 V N 4.098 124.193 119.914 0.302 0.000 2.628 411 V HA 0.722 4.842 4.120 -0.001 0.000 0.306 411 V C -0.442 175.815 176.094 0.271 0.000 1.045 411 V CA -0.888 61.599 62.300 0.312 0.000 0.905 411 V CB 1.847 33.860 31.823 0.316 0.000 0.997 411 V HN 0.514 nan 8.190 nan 0.000 0.436 412 L N 3.293 124.582 121.223 0.110 0.000 2.332 412 L HA 0.866 5.205 4.340 -0.001 0.000 0.269 412 L C 0.603 177.411 176.870 -0.104 0.000 1.016 412 L CA -0.392 54.462 54.840 0.023 0.000 0.809 412 L CB 2.228 44.277 42.059 -0.016 0.000 1.280 412 L HN 0.994 nan 8.230 nan 0.000 0.447 413 T N -2.174 112.323 114.554 -0.095 0.000 2.942 413 T HA 0.787 5.136 4.350 -0.001 0.000 0.289 413 T C -0.302 174.308 174.700 -0.149 0.000 1.044 413 T CA -0.601 61.411 62.100 -0.147 0.000 1.023 413 T CB 1.915 70.729 68.868 -0.091 0.000 1.123 413 T HN 0.987 nan 8.240 nan 0.000 0.512 414 C N -1.528 117.675 119.300 -0.162 0.000 3.254 414 C HA 1.019 5.478 4.460 -0.001 0.000 0.374 414 C C 0.267 175.212 174.990 -0.076 0.000 1.710 414 C CA -0.189 58.758 59.018 -0.118 0.000 1.149 414 C CB 0.492 28.133 27.740 -0.164 0.000 2.019 414 C HN 2.401 nan 8.230 nan 0.000 0.427 415 G N -0.176 108.600 108.800 -0.040 0.000 2.742 415 G HA2 0.299 4.258 3.960 -0.001 0.000 0.686 415 G HA3 0.299 4.258 3.960 -0.001 0.000 0.686 415 G C -0.098 174.795 174.900 -0.010 0.000 1.220 415 G CA 0.189 45.282 45.100 -0.011 0.000 0.783 415 G HN 1.563 nan 8.290 nan 0.000 0.646 416 T N 0.889 115.410 114.554 -0.055 0.000 2.737 416 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 416 T C 1.592 176.058 174.700 -0.390 0.000 1.040 416 T CA 2.651 64.620 62.100 -0.218 0.000 1.142 416 T CB -0.207 68.504 68.868 -0.261 0.000 0.861 416 T HN 0.538 nan 8.240 nan 0.000 0.456 417 Y N 0.199 120.573 120.300 0.123 0.000 2.571 417 Y HA 0.473 5.022 4.550 -0.001 0.000 0.275 417 Y C 1.723 177.651 175.900 0.047 0.000 1.179 417 Y CA -0.670 57.480 58.100 0.085 0.000 1.242 417 Y CB -0.396 38.124 38.460 0.100 0.000 1.126 417 Y HN 0.236 nan 8.280 nan 0.000 0.524 418 G N 1.762 110.620 108.800 0.095 0.000 2.187 418 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.261 418 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.261 418 G C 0.526 175.452 174.900 0.042 0.000 1.000 418 G CA 0.717 45.843 45.100 0.043 0.000 0.718 418 G HN 0.562 nan 8.290 nan 0.000 0.519 419 N N -0.688 118.061 118.700 0.081 0.000 2.401 419 N HA 0.321 5.061 4.740 -0.001 0.000 0.264 419 N C -0.331 175.194 175.510 0.025 0.000 1.238 419 N CA 0.004 53.093 53.050 0.065 0.000 0.889 419 N CB 0.777 39.334 38.487 0.116 0.000 1.196 419 N HN 0.256 nan 8.380 nan 0.000 0.511 420 V N 1.137 121.028 119.914 -0.039 0.000 2.487 420 V HA 0.393 4.512 4.120 -0.001 0.000 0.298 420 V C -0.048 175.914 176.094 -0.221 0.000 1.028 420 V CA -0.811 61.415 62.300 -0.123 0.000 0.860 420 V CB 2.342 34.068 31.823 -0.161 0.000 0.991 420 V HN 0.189 nan 8.190 nan 0.000 0.427 421 L N 6.300 127.368 121.223 -0.258 0.000 2.265 421 L HA 0.599 4.938 4.340 -0.001 0.000 0.288 421 L C 0.390 176.725 176.870 -0.891 0.000 1.058 421 L CA -0.324 54.260 54.840 -0.427 0.000 0.809 421 L CB 0.977 42.903 42.059 -0.221 0.000 1.179 421 L HN 0.746 nan 8.230 nan 0.000 0.429 422 R N 2.641 122.551 120.500 -0.984 0.000 2.664 422 R HA 0.715 5.055 4.340 -0.001 0.000 0.286 422 R C -1.626 174.109 176.300 -0.942 0.000 0.967 422 R CA -0.681 54.711 56.100 -1.180 0.000 0.933 422 R CB 1.428 30.867 30.300 -1.435 0.000 1.146 422 R HN 0.148 nan 8.270 nan 0.000 0.468 423 F N 2.526 122.466 119.950 -0.017 0.000 2.499 423 F HA 0.431 4.958 4.527 -0.001 0.000 0.333 423 F C -0.382 175.471 175.800 0.088 0.000 1.138 423 F CA -1.104 56.931 58.000 0.059 0.000 0.945 423 F CB 1.838 40.857 39.000 0.032 0.000 1.181 423 F HN 0.310 nan 8.300 nan 0.000 0.435 424 L N 5.591 126.932 121.223 0.196 0.000 2.594 424 L HA 0.321 4.660 4.340 -0.001 0.000 0.245 424 L C -2.515 174.367 176.870 0.020 0.000 1.460 424 L CA -1.665 53.247 54.840 0.121 0.000 0.865 424 L CB 0.971 43.124 42.059 0.156 0.000 1.131 424 L HN 0.263 nan 8.230 nan 0.000 0.506 425 P HA 0.189 nan 4.420 nan 0.000 0.272 425 P C -2.572 174.683 177.300 -0.075 0.000 1.223 425 P CA -1.328 61.666 63.100 -0.177 0.000 0.784 425 P CB 0.083 31.511 31.700 -0.454 0.000 0.923 426 P HA 0.116 nan 4.420 nan 0.000 0.272 426 P C 0.962 178.238 177.300 -0.040 0.000 1.223 426 P CA 0.014 63.100 63.100 -0.024 0.000 0.784 426 P CB 0.796 32.492 31.700 -0.006 0.000 0.923 427 L N 1.454 122.658 121.223 -0.032 0.000 2.478 427 L HA -0.083 4.257 4.340 -0.001 0.000 0.223 427 L C 2.056 178.911 176.870 -0.025 0.000 1.140 427 L CA 1.228 56.048 54.840 -0.033 0.000 0.842 427 L CB -0.728 41.315 42.059 -0.027 0.000 0.953 427 L HN 0.432 nan 8.230 nan 0.000 0.452 428 S N -0.855 114.834 115.700 -0.018 0.000 2.650 428 S HA 0.017 4.487 4.470 -0.001 0.000 0.219 428 S C 0.752 175.345 174.600 -0.012 0.000 0.960 428 S CA -0.355 57.838 58.200 -0.011 0.000 0.925 428 S CB -0.425 62.771 63.200 -0.006 0.000 0.775 428 S HN 0.256 nan 8.310 nan 0.000 0.525 429 M N 3.552 123.139 119.600 -0.022 0.000 2.269 429 M HA 0.324 4.803 4.480 -0.001 0.000 0.350 429 M C -2.778 173.501 176.300 -0.034 0.000 1.429 429 M CA -2.111 53.174 55.300 -0.025 0.000 1.063 429 M CB -0.042 32.535 32.600 -0.038 0.000 1.841 429 M HN -0.081 nan 8.290 nan 0.000 0.455 430 P HA 0.122 nan 4.420 nan 0.000 0.272 430 P C -0.181 177.081 177.300 -0.063 0.000 1.230 430 P CA -0.195 62.880 63.100 -0.042 0.000 0.788 430 P CB 0.553 32.223 31.700 -0.049 0.000 0.949 431 D N 0.054 120.466 120.400 0.020 0.000 2.123 431 D HA -0.193 4.447 4.640 -0.001 0.000 0.196 431 D C 1.692 178.013 176.300 0.035 0.000 0.992 431 D CA 1.528 55.546 54.000 0.031 0.000 0.833 431 D CB -0.492 40.344 40.800 0.061 0.000 0.954 431 D HN 0.622 nan 8.370 nan 0.000 0.455 432 H N 0.083 119.168 119.070 0.025 0.000 2.462 432 H HA 0.035 4.590 4.556 -0.001 0.000 0.292 432 H C 2.242 177.592 175.328 0.036 0.000 1.049 432 H CA 0.489 56.552 56.048 0.024 0.000 1.334 432 H CB -0.624 29.148 29.762 0.016 0.000 1.404 432 H HN 0.180 nan 8.280 nan 0.000 0.544 433 L N 0.065 120.994 121.223 -0.490 0.000 2.209 433 L HA -0.061 4.278 4.340 -0.001 0.000 0.207 433 L C 2.681 179.551 176.870 0.001 0.000 1.094 433 L CA 0.337 55.023 54.840 -0.258 0.000 0.790 433 L CB -0.200 41.682 42.059 -0.295 0.000 0.932 433 L HN 0.170 nan 8.230 nan 0.000 0.447 434 L N 0.102 121.346 121.223 0.035 0.000 2.046 434 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 434 L C 1.974 178.931 176.870 0.145 0.000 1.077 434 L CA 1.920 56.851 54.840 0.151 0.000 0.747 434 L CB -0.513 41.560 42.059 0.023 0.000 0.896 434 L HN 0.161 nan 8.230 nan 0.000 0.432 435 D N -0.537 119.899 120.400 0.060 0.000 2.097 435 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 435 D C 2.106 178.424 176.300 0.029 0.000 0.989 435 D CA 1.468 55.494 54.000 0.045 0.000 0.827 435 D CB 0.010 40.837 40.800 0.046 0.000 0.966 435 D HN 0.541 nan 8.370 nan 0.000 0.456 436 E N -0.013 120.198 120.200 0.018 0.000 2.106 436 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 436 E C 2.086 178.642 176.600 -0.074 0.000 0.984 436 E CA 1.015 57.407 56.400 -0.012 0.000 0.806 436 E CB -0.171 29.527 29.700 -0.003 0.000 0.750 436 E HN 0.250 nan 8.360 nan 0.000 0.458 437 G N 1.464 110.199 108.800 -0.107 0.000 2.446 437 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.217 437 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.217 437 G C 1.577 176.310 174.900 -0.279 0.000 1.168 437 G CA 0.820 45.678 45.100 -0.403 0.000 0.771 437 G HN 0.208 nan 8.290 nan 0.000 0.551 438 L N 0.417 121.614 121.223 -0.043 0.000 2.083 438 L HA -0.069 4.270 4.340 -0.001 0.000 0.209 438 L C 2.525 179.365 176.870 -0.050 0.000 1.083 438 L CA 1.125 55.942 54.840 -0.039 0.000 0.752 438 L CB -0.401 41.656 42.059 -0.003 0.000 0.899 438 L HN 0.092 nan 8.230 nan 0.000 0.433 439 D N 0.324 120.701 120.400 -0.039 0.000 2.117 439 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 439 D C 2.274 178.557 176.300 -0.029 0.000 0.987 439 D CA 1.270 55.254 54.000 -0.026 0.000 0.829 439 D CB -0.098 40.691 40.800 -0.017 0.000 0.961 439 D HN 0.307 nan 8.370 nan 0.000 0.460 440 I N 0.318 120.851 120.570 -0.063 0.000 2.226 440 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 440 I C 2.420 178.519 176.117 -0.030 0.000 1.100 440 I CA 0.580 61.842 61.300 -0.064 0.000 1.374 440 I CB -0.121 37.810 38.000 -0.114 0.000 1.057 440 I HN -0.003 nan 8.210 nan 0.000 0.413 441 L N 0.514 121.721 121.223 -0.026 0.000 1.989 441 L HA -0.242 4.097 4.340 -0.001 0.000 0.211 441 L C 2.867 179.866 176.870 0.214 0.000 1.071 441 L CA 1.593 56.490 54.840 0.094 0.000 0.749 441 L CB -0.624 41.482 42.059 0.077 0.000 0.890 441 L HN 0.248 nan 8.230 nan 0.000 0.431 442 A N -0.277 122.608 122.820 0.109 0.000 1.917 442 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 442 A C 2.462 180.115 177.584 0.115 0.000 1.182 442 A CA 2.032 54.130 52.037 0.102 0.000 0.633 442 A CB -0.835 18.178 19.000 0.021 0.000 0.819 442 A HN 0.473 nan 8.150 nan 0.000 0.448 443 A N -0.772 122.086 122.820 0.062 0.000 1.898 443 A HA 0.022 4.341 4.320 -0.001 0.000 0.216 443 A C 2.246 179.852 177.584 0.038 0.000 1.181 443 A CA 1.723 53.783 52.037 0.038 0.000 0.620 443 A CB -0.955 18.050 19.000 0.009 0.000 0.819 443 A HN 0.399 nan 8.150 nan 0.000 0.442 444 V N -1.218 118.713 119.914 0.027 0.000 2.287 444 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 444 V C 2.316 178.369 176.094 -0.069 0.000 1.053 444 V CA 2.176 64.447 62.300 -0.048 0.000 1.027 444 V CB -0.951 30.809 31.823 -0.105 0.000 0.646 444 V HN 0.580 nan 8.190 nan 0.000 0.447 445 F N 0.485 120.425 119.950 -0.017 0.000 2.216 445 F HA -0.139 4.388 4.527 -0.001 0.000 0.300 445 F C 2.364 178.158 175.800 -0.010 0.000 1.085 445 F CA 1.362 59.356 58.000 -0.009 0.000 1.326 445 F CB -0.602 38.396 39.000 -0.003 0.000 1.027 445 F HN 0.106 nan 8.300 nan 0.000 0.497 446 A N -0.689 122.222 122.820 0.152 0.000 1.968 446 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 446 A C 2.195 179.800 177.584 0.035 0.000 1.169 446 A CA 1.593 53.678 52.037 0.079 0.000 0.638 446 A CB -0.630 18.404 19.000 0.056 0.000 0.812 446 A HN 0.414 nan 8.150 nan 0.000 0.446 447 E N -0.121 120.085 120.200 0.010 0.000 2.046 447 E HA -0.033 4.316 4.350 -0.001 0.000 0.190 447 E C 0.468 177.049 176.600 -0.031 0.000 0.982 447 E CA 0.844 57.234 56.400 -0.016 0.000 0.800 447 E CB -0.016 29.664 29.700 -0.033 0.000 0.756 447 E HN 0.335 nan 8.360 nan 0.000 0.449 448 V N 0.000 119.878 119.914 -0.060 0.000 2.409 448 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 448 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 448 V CB 0.000 31.726 31.823 -0.162 0.000 1.184 448 V HN 0.000 nan 8.190 nan 0.000 0.556