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 3i9v_1_C DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLPXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKYXXXXXXE DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERKGA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAELWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAAGLR VEGRVLV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.280 176.300 -0.034 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.058 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.068 0.000 1.302 2 V N 1.081 120.978 119.914 -0.029 0.000 2.667 2 V HA 0.563 4.682 4.120 -0.000 0.000 0.308 2 V C -0.504 175.592 176.094 0.004 0.000 1.048 2 V CA -0.615 61.680 62.300 -0.010 0.000 0.928 2 V CB 2.009 33.830 31.823 -0.004 0.000 1.004 2 V HN 0.719 nan 8.190 nan 0.000 0.444 3 R N 2.501 123.006 120.500 0.007 0.000 2.202 3 R HA 0.628 4.968 4.340 -0.000 0.000 0.334 3 R C -1.183 175.129 176.300 0.020 0.000 1.036 3 R CA -0.004 56.105 56.100 0.015 0.000 0.878 3 R CB 0.990 31.294 30.300 0.006 0.000 1.067 3 R HN 0.556 nan 8.270 nan 0.000 0.457 4 V N 4.446 124.382 119.914 0.036 0.000 2.769 4 V HA 0.418 4.538 4.120 -0.000 0.000 0.312 4 V C -0.608 175.506 176.094 0.033 0.000 1.061 4 V CA -0.877 61.445 62.300 0.036 0.000 0.931 4 V CB 2.011 33.868 31.823 0.057 0.000 1.010 4 V HN 0.670 nan 8.190 nan 0.000 0.433 5 K N 3.143 123.553 120.400 0.018 0.000 2.425 5 K HA 0.575 4.895 4.320 -0.000 0.000 0.259 5 K C -0.183 176.414 176.600 -0.005 0.000 0.978 5 K CA -0.441 55.852 56.287 0.009 0.000 0.883 5 K CB 1.697 34.195 32.500 -0.003 0.000 1.110 5 K HN 0.435 nan 8.250 nan 0.000 0.436 6 V N 3.573 123.473 119.914 -0.023 0.000 2.233 6 V HA -0.193 3.927 4.120 -0.000 0.000 0.174 6 V C 1.702 177.698 176.094 -0.164 0.000 0.888 6 V CA 0.929 63.166 62.300 -0.105 0.000 1.161 6 V CB -0.284 31.447 31.823 -0.153 0.000 0.717 6 V HN 0.835 nan 8.190 nan 0.000 0.460 7 N N 1.079 119.572 118.700 -0.346 0.000 2.272 7 N HA -0.037 4.703 4.740 -0.000 0.000 0.195 7 N C 1.045 176.493 175.510 -0.104 0.000 1.048 7 N CA 1.558 54.440 53.050 -0.279 0.000 0.912 7 N CB -0.330 37.854 38.487 -0.505 0.000 1.096 7 N HN 0.790 nan 8.380 nan 0.000 0.471 8 D N -0.667 119.701 120.400 -0.053 0.000 2.462 8 D HA 0.152 4.792 4.640 -0.000 0.000 0.221 8 D C 0.129 176.459 176.300 0.050 0.000 1.173 8 D CA -0.134 53.880 54.000 0.022 0.000 0.831 8 D CB 0.282 41.112 40.800 0.050 0.000 1.001 8 D HN -0.023 nan 8.370 nan 0.000 0.499 9 R N 0.368 120.901 120.500 0.054 0.000 2.575 9 R HA 0.608 4.948 4.340 -0.000 0.000 0.293 9 R C -1.224 175.108 176.300 0.052 0.000 0.983 9 R CA -0.730 55.419 56.100 0.082 0.000 0.887 9 R CB 1.364 31.771 30.300 0.177 0.000 1.184 9 R HN 0.029 nan 8.270 nan 0.000 0.445 10 I N 4.019 124.615 120.570 0.043 0.000 2.525 10 I HA 0.498 4.668 4.170 -0.000 0.000 0.301 10 I C -0.539 175.609 176.117 0.052 0.000 0.992 10 I CA -1.028 60.296 61.300 0.039 0.000 1.162 10 I CB 2.016 40.031 38.000 0.026 0.000 1.332 10 I HN 0.231 nan 8.210 nan 0.000 0.458 11 V N 3.164 123.122 119.914 0.073 0.000 2.971 11 V HA 0.408 4.528 4.120 -0.000 0.000 0.309 11 V C -0.466 175.694 176.094 0.111 0.000 1.130 11 V CA -1.003 61.364 62.300 0.112 0.000 0.964 11 V CB 2.017 33.960 31.823 0.200 0.000 1.029 11 V HN 0.559 nan 8.190 nan 0.000 0.427 12 E N 1.215 121.483 120.200 0.114 0.000 2.349 12 E HA 0.704 5.054 4.350 -0.000 0.000 0.265 12 E C -0.879 175.751 176.600 0.050 0.000 1.064 12 E CA -0.202 56.237 56.400 0.065 0.000 0.886 12 E CB 2.214 31.937 29.700 0.038 0.000 1.036 12 E HN 0.551 nan 8.360 nan 0.000 0.413 13 V N 3.569 123.462 119.914 -0.034 0.000 2.915 13 V HA 0.157 4.277 4.120 -0.000 0.000 0.273 13 V C -2.664 173.350 176.094 -0.133 0.000 1.538 13 V CA -1.440 60.788 62.300 -0.120 0.000 0.946 13 V CB 2.433 34.247 31.823 -0.015 0.000 1.183 13 V HN 0.487 nan 8.190 nan 0.000 0.446 14 P HA 0.212 nan 4.420 nan 0.000 0.268 14 P C -2.164 175.066 177.300 -0.117 0.000 1.208 14 P CA -0.680 62.263 63.100 -0.263 0.000 0.777 14 P CB 0.225 31.560 31.700 -0.608 0.000 0.875 15 P HA -0.219 nan 4.420 nan 0.000 0.215 15 P C 1.585 178.900 177.300 0.024 0.000 1.163 15 P CA 2.163 65.255 63.100 -0.014 0.000 0.894 15 P CB -0.810 30.885 31.700 -0.008 0.000 0.791 16 G N -0.737 108.092 108.800 0.048 0.000 2.625 16 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 16 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 16 G C 0.408 175.376 174.900 0.113 0.000 1.132 16 G CA 0.272 45.424 45.100 0.087 0.000 0.782 16 G HN 0.268 nan 8.290 nan 0.000 0.538 17 T N 0.793 115.423 114.554 0.127 0.000 2.934 17 T HA 0.261 4.611 4.350 -0.000 0.000 0.306 17 T C 0.777 175.551 174.700 0.123 0.000 1.042 17 T CA 0.081 62.292 62.100 0.185 0.000 1.145 17 T CB 1.253 70.266 68.868 0.242 0.000 0.982 17 T HN 0.191 nan 8.240 nan 0.000 0.544 18 S N 2.265 118.026 115.700 0.102 0.000 2.549 18 S HA 0.071 4.541 4.470 -0.000 0.000 0.279 18 S C 1.565 176.208 174.600 0.072 0.000 1.321 18 S CA -0.900 57.344 58.200 0.072 0.000 1.054 18 S CB 0.400 63.635 63.200 0.059 0.000 0.899 18 S HN 0.486 nan 8.310 nan 0.000 0.497 19 V N 6.478 126.431 119.914 0.064 0.000 2.527 19 V HA -0.243 3.877 4.120 -0.000 0.000 0.255 19 V C 2.270 178.395 176.094 0.051 0.000 1.081 19 V CA 2.529 64.862 62.300 0.055 0.000 1.092 19 V CB -0.939 30.907 31.823 0.038 0.000 0.673 19 V HN 1.001 nan 8.190 nan 0.000 0.470 20 M N -0.383 119.256 119.600 0.065 0.000 2.132 20 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 20 M C 1.873 178.245 176.300 0.119 0.000 1.065 20 M CA 2.001 57.365 55.300 0.106 0.000 1.122 20 M CB -0.292 32.401 32.600 0.154 0.000 1.365 20 M HN 0.301 nan 8.290 nan 0.000 0.411 21 D N 0.315 120.735 120.400 0.035 0.000 2.149 21 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 21 D C 1.961 178.319 176.300 0.098 0.000 0.972 21 D CA 1.503 55.462 54.000 -0.068 0.000 0.835 21 D CB -0.077 40.478 40.800 -0.407 0.000 0.966 21 D HN 0.530 nan 8.370 nan 0.000 0.476 22 A N 0.960 123.867 122.820 0.145 0.000 1.933 22 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 22 A C 2.539 180.225 177.584 0.170 0.000 1.175 22 A CA 0.886 53.055 52.037 0.219 0.000 0.628 22 A CB -0.723 18.371 19.000 0.157 0.000 0.814 22 A HN 0.094 nan 8.150 nan 0.000 0.444 23 V N -1.219 118.733 119.914 0.062 0.000 2.237 23 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 23 V C 2.294 178.353 176.094 -0.057 0.000 1.046 23 V CA 2.308 64.588 62.300 -0.033 0.000 1.007 23 V CB -0.874 30.860 31.823 -0.150 0.000 0.638 23 V HN 0.591 nan 8.190 nan 0.000 0.445 24 F N -0.276 119.556 119.950 -0.197 0.000 2.202 24 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 24 F C 2.398 178.050 175.800 -0.246 0.000 1.082 24 F CA 2.051 59.814 58.000 -0.395 0.000 1.313 24 F CB -0.605 37.784 39.000 -1.017 0.000 1.024 24 F HN 0.301 nan 8.300 nan 0.000 0.495 25 H N -0.156 118.928 119.070 0.024 0.000 2.421 25 H HA -0.007 4.549 4.556 -0.000 0.000 0.298 25 H C 1.987 177.408 175.328 0.155 0.000 1.087 25 H CA 1.228 57.405 56.048 0.215 0.000 1.330 25 H CB -0.124 29.853 29.762 0.358 0.000 1.388 25 H HN 0.108 nan 8.280 nan 0.000 0.526 26 A N -0.708 122.156 122.820 0.074 0.000 2.238 26 A HA 0.316 4.636 4.320 -0.000 0.000 0.208 26 A C 1.707 179.310 177.584 0.030 0.000 1.177 26 A CA 0.742 52.814 52.037 0.058 0.000 0.804 26 A CB -0.712 18.408 19.000 0.199 0.000 0.823 26 A HN 0.735 nan 8.150 nan 0.000 0.482 27 G N -2.204 106.581 108.800 -0.024 0.000 2.165 27 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.226 27 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.226 27 G C -0.113 174.575 174.900 -0.354 0.000 1.035 27 G CA 0.383 45.392 45.100 -0.152 0.000 0.744 27 G HN 0.423 nan 8.290 nan 0.000 0.501 28 Y N 0.503 120.705 120.300 -0.165 0.000 2.853 28 Y HA 0.695 5.245 4.550 -0.000 0.000 0.332 28 Y C 0.671 176.291 175.900 -0.467 0.000 1.229 28 Y CA 0.068 58.029 58.100 -0.230 0.000 1.177 28 Y CB 1.118 39.455 38.460 -0.204 0.000 1.435 28 Y HN 0.353 nan 8.280 nan 0.000 0.659 29 D N -0.953 119.268 120.400 -0.298 0.000 2.639 29 D HA 0.499 5.139 4.640 -0.000 0.000 0.271 29 D C -1.766 174.339 176.300 -0.324 0.000 1.254 29 D CA -0.578 53.102 54.000 -0.534 0.000 0.810 29 D CB 1.743 42.516 40.800 -0.044 0.000 1.351 29 D HN 0.520 nan 8.370 nan 0.000 0.427 30 V N -0.563 119.198 119.914 -0.254 0.000 2.963 30 V HA 0.400 4.520 4.120 -0.000 0.000 0.272 30 V C -3.002 172.927 176.094 -0.276 0.000 1.559 30 V CA -1.213 60.897 62.300 -0.317 0.000 0.959 30 V CB 2.149 33.805 31.823 -0.278 0.000 1.202 30 V HN 0.503 nan 8.190 nan 0.000 0.447 31 P HA 0.305 nan 4.420 nan 0.000 0.266 31 P C -1.103 176.048 177.300 -0.248 0.000 1.193 31 P CA 0.078 62.864 63.100 -0.524 0.000 0.770 31 P CB 0.294 31.549 31.700 -0.742 0.000 0.836 32 L N 3.938 125.054 121.223 -0.178 0.000 2.811 32 L HA 0.196 4.536 4.340 -0.000 0.000 0.251 32 L C -1.152 175.831 176.870 0.189 0.000 0.971 32 L CA -0.127 54.746 54.840 0.055 0.000 0.990 32 L CB 0.542 42.741 42.059 0.234 0.000 1.320 32 L HN 0.259 nan 8.230 nan 0.000 0.473 33 F N 1.958 121.945 119.950 0.062 0.000 2.482 33 F HA 0.078 4.605 4.527 -0.000 0.000 0.278 33 F C 2.297 178.130 175.800 0.055 0.000 0.969 33 F CA 1.098 59.133 58.000 0.059 0.000 1.223 33 F CB -0.506 38.532 39.000 0.064 0.000 1.140 33 F HN 0.683 nan 8.300 nan 0.000 0.672 34 C N -0.540 118.920 119.300 0.267 0.000 2.468 34 C HA 0.226 4.686 4.460 -0.000 0.000 0.277 34 C C 1.165 176.231 174.990 0.127 0.000 1.400 34 C CA -0.474 58.650 59.018 0.176 0.000 1.770 34 C CB -1.586 26.249 27.740 0.159 0.000 1.905 34 C HN 0.159 nan 8.230 nan 0.000 0.519 35 S N 1.415 117.184 115.700 0.114 0.000 2.584 35 S HA 0.577 5.047 4.470 -0.000 0.000 0.273 35 S C -0.561 174.052 174.600 0.020 0.000 1.311 35 S CA 0.124 58.370 58.200 0.077 0.000 1.034 35 S CB 1.290 64.544 63.200 0.090 0.000 0.939 35 S HN 0.676 nan 8.310 nan 0.000 0.513 36 E N 1.073 121.274 120.200 0.001 0.000 2.356 36 E HA 0.303 4.653 4.350 -0.000 0.000 0.275 36 E C -1.267 175.274 176.600 -0.097 0.000 0.904 36 E CA -0.794 55.563 56.400 -0.071 0.000 0.757 36 E CB 0.917 30.620 29.700 0.005 0.000 1.232 36 E HN 0.430 nan 8.360 nan 0.000 0.442 37 K N 2.289 122.546 120.400 -0.238 0.000 2.561 37 K HA -0.017 4.303 4.320 -0.000 0.000 0.280 37 K C -0.368 176.183 176.600 -0.082 0.000 0.975 37 K CA 0.933 57.048 56.287 -0.287 0.000 1.024 37 K CB -0.165 32.103 32.500 -0.387 0.000 0.883 37 K HN 0.761 nan 8.250 nan 0.000 0.496 38 H N -1.470 117.631 119.070 0.052 0.000 3.211 38 H HA -0.189 4.367 4.556 -0.000 0.000 0.240 38 H C -0.544 174.921 175.328 0.228 0.000 1.148 38 H CA 0.652 56.799 56.048 0.165 0.000 1.160 38 H CB -1.290 28.627 29.762 0.258 0.000 1.232 38 H HN 0.348 nan 8.280 nan 0.000 0.321 39 L N 0.567 121.932 121.223 0.237 0.000 2.319 39 L HA 0.414 4.754 4.340 -0.000 0.000 0.267 39 L C 0.558 177.505 176.870 0.128 0.000 1.011 39 L CA -0.752 54.210 54.840 0.204 0.000 0.818 39 L CB 1.706 43.886 42.059 0.202 0.000 1.316 39 L HN 0.204 nan 8.230 nan 0.000 0.432 40 S N 1.751 117.516 115.700 0.110 0.000 2.544 40 S HA 0.177 4.647 4.470 -0.000 0.000 0.290 40 S C -2.369 172.279 174.600 0.081 0.000 1.276 40 S CA -0.910 57.338 58.200 0.081 0.000 1.075 40 S CB -0.053 63.188 63.200 0.067 0.000 0.849 40 S HN 0.331 nan 8.310 nan 0.000 0.494 41 P HA 0.524 nan 4.420 nan 0.000 0.285 41 P C -0.902 176.436 177.300 0.063 0.000 1.259 41 P CA -0.607 62.535 63.100 0.070 0.000 0.794 41 P CB 0.632 32.372 31.700 0.067 0.000 0.940 42 I N -0.154 120.456 120.570 0.066 0.000 2.722 42 I HA 0.520 4.690 4.170 -0.000 0.000 0.295 42 I C 0.420 176.570 176.117 0.055 0.000 1.161 42 I CA -0.997 60.336 61.300 0.056 0.000 1.032 42 I CB 1.768 39.801 38.000 0.056 0.000 1.244 42 I HN 0.253 nan 8.210 nan 0.000 0.421 43 G N 2.778 111.602 108.800 0.040 0.000 2.508 43 G HA2 0.518 4.478 3.960 -0.000 0.000 0.301 43 G HA3 0.518 4.478 3.960 -0.000 0.000 0.301 43 G C 0.327 175.245 174.900 0.030 0.000 0.965 43 G CA 0.316 45.436 45.100 0.035 0.000 1.339 43 G HN 1.016 nan 8.290 nan 0.000 0.455 44 A N 1.902 124.749 122.820 0.045 0.000 1.975 44 A HA 0.093 4.413 4.320 -0.000 0.000 0.197 44 A C 2.308 179.921 177.584 0.048 0.000 1.537 44 A CA 1.145 53.203 52.037 0.036 0.000 0.972 44 A CB -0.423 18.606 19.000 0.049 0.000 1.019 44 A HN 1.129 nan 8.150 nan 0.000 0.488 45 C N -1.122 118.232 119.300 0.090 0.000 2.464 45 C HA 0.299 4.759 4.460 -0.000 0.000 0.278 45 C C 1.246 176.280 174.990 0.073 0.000 1.375 45 C CA 0.412 59.506 59.018 0.127 0.000 1.761 45 C CB -1.055 26.829 27.740 0.240 0.000 1.944 45 C HN 0.580 nan 8.230 nan 0.000 0.509 46 R N -0.729 119.792 120.500 0.036 0.000 3.423 46 R HA -0.155 4.185 4.340 -0.000 0.000 0.271 46 R C 0.598 176.880 176.300 -0.029 0.000 1.093 46 R CA 0.952 57.054 56.100 0.004 0.000 0.730 46 R CB -1.925 28.379 30.300 0.007 0.000 1.190 46 R HN 0.541 nan 8.270 nan 0.000 0.437 47 M N -0.817 118.742 119.600 -0.068 0.000 2.657 47 M HA 0.020 4.500 4.480 -0.000 0.000 0.262 47 M C 1.955 178.142 176.300 -0.188 0.000 1.213 47 M CA 1.247 56.442 55.300 -0.175 0.000 1.182 47 M CB -0.099 32.313 32.600 -0.314 0.000 1.303 47 M HN 0.467 nan 8.290 nan 0.000 0.501 48 C N 1.635 120.866 119.300 -0.116 0.000 2.289 48 C HA 0.452 4.912 4.460 -0.000 0.000 0.391 48 C C 0.765 175.700 174.990 -0.092 0.000 1.304 48 C CA -1.171 57.787 59.018 -0.101 0.000 1.679 48 C CB -2.359 25.372 27.740 -0.016 0.000 1.885 48 C HN 0.194 nan 8.230 nan 0.000 0.587 49 L N 2.119 123.277 121.223 -0.109 0.000 2.416 49 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 49 L C 0.533 177.339 176.870 -0.108 0.000 1.161 49 L CA 0.136 54.921 54.840 -0.091 0.000 0.845 49 L CB 0.820 42.826 42.059 -0.088 0.000 1.119 49 L HN 0.469 nan 8.230 nan 0.000 0.464 50 V N 1.289 121.149 119.914 -0.090 0.000 3.181 50 V HA 0.627 4.747 4.120 -0.000 0.000 0.314 50 V C -0.422 175.603 176.094 -0.114 0.000 1.173 50 V CA -1.191 61.046 62.300 -0.105 0.000 1.052 50 V CB 1.951 33.726 31.823 -0.081 0.000 1.123 50 V HN 0.771 nan 8.190 nan 0.000 0.454 51 R N 0.258 120.663 120.500 -0.159 0.000 2.393 51 R HA 0.750 5.090 4.340 -0.000 0.000 0.310 51 R C -1.532 174.751 176.300 -0.029 0.000 0.968 51 R CA -0.696 55.272 56.100 -0.220 0.000 0.867 51 R CB 1.444 31.422 30.300 -0.538 0.000 1.124 51 R HN 0.852 nan 8.270 nan 0.000 0.450 52 I N 2.853 123.513 120.570 0.150 0.000 2.436 52 I HA 0.373 4.542 4.170 -0.000 0.000 0.289 52 I C 0.117 176.529 176.117 0.492 0.000 1.010 52 I CA -0.665 60.818 61.300 0.305 0.000 1.098 52 I CB 2.192 40.276 38.000 0.140 0.000 1.266 52 I HN 0.731 nan 8.210 nan 0.000 0.434 53 G N 5.534 114.561 108.800 0.379 0.000 2.416 53 G HA2 0.594 4.554 3.960 -0.000 0.000 0.329 53 G HA3 0.594 4.554 3.960 -0.000 0.000 0.329 53 G C -0.722 174.120 174.900 -0.097 0.000 1.173 53 G CA -0.154 44.891 45.100 -0.092 0.000 0.929 53 G HN 0.472 nan 8.290 nan 0.000 0.475 54 L N 2.320 123.478 121.223 -0.108 0.000 3.524 54 L HA 0.411 4.751 4.340 -0.000 0.000 0.337 54 L C -2.273 174.555 176.870 -0.069 0.000 1.330 54 L CA -0.636 54.168 54.840 -0.060 0.000 0.966 54 L CB 0.840 42.893 42.059 -0.011 0.000 1.395 54 L HN 0.584 nan 8.230 nan 0.000 0.616 74 Q N 5.107 124.700 119.800 -0.345 0.000 2.771 74 Q HA 0.299 4.639 4.340 -0.000 0.000 0.247 74 Q C -1.367 174.580 176.000 -0.088 0.000 0.986 74 Q CA -0.602 55.093 55.803 -0.181 0.000 0.713 74 Q CB 1.308 29.995 28.738 -0.086 0.000 1.241 74 Q HN 0.602 nan 8.270 nan 0.000 0.488 75 W N 3.259 124.551 121.300 -0.014 0.000 2.385 75 W HA -0.058 4.602 4.660 -0.000 0.000 0.336 75 W C 0.892 177.402 176.519 -0.014 0.000 1.351 75 W CA -0.387 56.949 57.345 -0.016 0.000 1.295 75 W CB 0.523 29.973 29.460 -0.016 0.000 1.239 75 W HN 0.243 nan 8.180 nan 0.000 0.565 76 Q N 4.277 124.250 119.800 0.290 0.000 2.421 76 Q HA -0.004 4.336 4.340 -0.000 0.000 0.255 76 Q C -1.283 174.786 176.000 0.115 0.000 1.013 76 Q CA -0.855 55.036 55.803 0.148 0.000 0.895 76 Q CB 0.292 29.096 28.738 0.110 0.000 1.271 76 Q HN 0.307 nan 8.270 nan 0.000 0.460 77 P HA -0.103 nan 4.420 nan 0.000 0.217 77 P C -0.279 177.027 177.300 0.009 0.000 1.154 77 P CA 1.406 64.529 63.100 0.039 0.000 0.841 77 P CB 0.295 32.013 31.700 0.029 0.000 0.788 78 K N -0.436 119.967 120.400 0.006 0.000 2.185 78 K HA 0.517 4.837 4.320 -0.000 0.000 0.240 78 K C -0.464 176.122 176.600 -0.023 0.000 0.983 78 K CA -1.036 55.243 56.287 -0.014 0.000 0.873 78 K CB 1.096 33.590 32.500 -0.011 0.000 1.118 78 K HN -0.159 nan 8.250 nan 0.000 0.441 79 L N 1.452 122.650 121.223 -0.042 0.000 2.380 79 L HA 0.307 4.647 4.340 -0.000 0.000 0.273 79 L C 0.106 176.955 176.870 -0.034 0.000 1.138 79 L CA -0.450 54.357 54.840 -0.055 0.000 0.832 79 L CB 1.149 43.163 42.059 -0.075 0.000 1.124 79 L HN 0.806 nan 8.230 nan 0.000 0.454 80 A N 2.702 125.505 122.820 -0.030 0.000 2.312 80 A HA 0.741 5.061 4.320 -0.000 0.000 0.326 80 A C 0.092 177.665 177.584 -0.019 0.000 1.172 80 A CA -0.587 51.442 52.037 -0.013 0.000 0.821 80 A CB 1.091 20.093 19.000 0.004 0.000 1.166 80 A HN 0.777 nan 8.150 nan 0.000 0.493 81 A N 2.117 124.932 122.820 -0.009 0.000 2.475 81 A HA 0.414 4.734 4.320 -0.000 0.000 0.293 81 A C 1.452 179.041 177.584 0.008 0.000 1.252 81 A CA 0.336 52.371 52.037 -0.003 0.000 0.920 81 A CB -0.648 18.356 19.000 0.006 0.000 1.125 81 A HN 1.836 nan 8.150 nan 0.000 0.528 82 S N 1.537 117.239 115.700 0.002 0.000 2.440 82 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 82 S C 1.707 176.332 174.600 0.042 0.000 1.010 82 S CA 1.533 59.742 58.200 0.015 0.000 0.972 82 S CB -1.279 61.920 63.200 -0.002 0.000 0.774 82 S HN 1.394 nan 8.310 nan 0.000 0.501 83 C N 0.644 119.974 119.300 0.051 0.000 2.514 83 C HA 0.474 4.933 4.460 -0.000 0.000 0.271 83 C C 1.881 176.908 174.990 0.061 0.000 1.399 83 C CA 0.088 59.150 59.018 0.072 0.000 1.765 83 C CB -1.308 26.485 27.740 0.089 0.000 1.893 83 C HN 0.642 nan 8.230 nan 0.000 0.531 84 V N -2.103 117.839 119.914 0.047 0.000 3.330 84 V HA 0.322 4.441 4.120 -0.000 0.000 0.309 84 V C 0.186 176.303 176.094 0.038 0.000 1.481 84 V CA 0.235 62.561 62.300 0.043 0.000 1.068 84 V CB -0.893 30.953 31.823 0.038 0.000 0.935 84 V HN 0.399 nan 8.190 nan 0.000 0.453 85 T N 2.978 117.555 114.554 0.037 0.000 2.771 85 T HA 0.776 5.126 4.350 -0.000 0.000 0.291 85 T C 0.513 175.239 174.700 0.042 0.000 0.954 85 T CA 0.525 62.647 62.100 0.035 0.000 1.045 85 T CB 1.461 70.348 68.868 0.030 0.000 0.917 85 T HN 0.741 nan 8.240 nan 0.000 0.484 86 A N 2.867 125.712 122.820 0.041 0.000 2.327 86 A HA 0.612 4.932 4.320 -0.000 0.000 0.255 86 A C 0.504 178.115 177.584 0.044 0.000 1.099 86 A CA -0.675 51.389 52.037 0.046 0.000 0.801 86 A CB 0.110 19.134 19.000 0.040 0.000 1.062 86 A HN 0.931 nan 8.150 nan 0.000 0.496 87 V N -1.399 118.544 119.914 0.048 0.000 2.427 87 V HA 0.777 4.897 4.120 -0.000 0.000 0.286 87 V C 0.281 176.394 176.094 0.031 0.000 1.034 87 V CA -0.285 62.041 62.300 0.043 0.000 0.893 87 V CB 0.473 32.328 31.823 0.054 0.000 0.982 87 V HN 1.416 nan 8.190 nan 0.000 0.452 88 A N 3.081 125.916 122.820 0.025 0.000 2.306 88 A HA 0.548 4.868 4.320 -0.000 0.000 0.330 88 A C 0.040 177.630 177.584 0.010 0.000 1.146 88 A CA -0.638 51.408 52.037 0.015 0.000 0.827 88 A CB 0.738 19.745 19.000 0.012 0.000 1.178 88 A HN 0.936 nan 8.150 nan 0.000 0.490 89 D N 0.690 121.092 120.400 0.004 0.000 2.488 89 D HA 0.317 4.957 4.640 -0.000 0.000 0.238 89 D C 1.200 177.496 176.300 -0.006 0.000 1.138 89 D CA 2.119 56.119 54.000 -0.001 0.000 0.873 89 D CB 0.449 41.246 40.800 -0.005 0.000 1.183 89 D HN 1.230 nan 8.370 nan 0.000 0.458 90 G N 3.420 112.215 108.800 -0.008 0.000 2.359 90 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.298 90 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.298 90 G C 0.111 174.997 174.900 -0.024 0.000 1.030 90 G CA 0.716 45.805 45.100 -0.018 0.000 1.149 90 G HN 0.551 nan 8.290 nan 0.000 0.512 91 M N 0.618 120.212 119.600 -0.011 0.000 2.456 91 M HA 0.719 5.199 4.480 -0.000 0.000 0.324 91 M C -0.425 175.874 176.300 -0.001 0.000 1.124 91 M CA -0.881 54.415 55.300 -0.008 0.000 0.959 91 M CB 2.170 34.778 32.600 0.014 0.000 1.692 91 M HN 0.021 nan 8.290 nan 0.000 0.444 92 V N 4.411 124.322 119.914 -0.006 0.000 2.547 92 V HA 0.637 4.757 4.120 -0.000 0.000 0.299 92 V C -0.703 175.475 176.094 0.140 0.000 1.040 92 V CA -0.679 61.638 62.300 0.028 0.000 0.913 92 V CB 1.737 33.525 31.823 -0.059 0.000 0.992 92 V HN 0.722 nan 8.190 nan 0.000 0.449 93 V N 2.714 122.699 119.914 0.120 0.000 2.488 93 V HA 0.367 4.487 4.120 -0.000 0.000 0.293 93 V C -0.846 175.266 176.094 0.029 0.000 1.027 93 V CA -0.618 61.733 62.300 0.086 0.000 0.862 93 V CB 1.629 33.454 31.823 0.004 0.000 1.008 93 V HN 0.997 nan 8.190 nan 0.000 0.428 94 D N 3.068 123.477 120.400 0.015 0.000 2.280 94 D HA 0.439 5.079 4.640 -0.000 0.000 0.236 94 D C 0.972 177.178 176.300 -0.157 0.000 1.082 94 D CA 0.136 54.079 54.000 -0.095 0.000 0.834 94 D CB 2.106 42.810 40.800 -0.159 0.000 1.100 94 D HN 0.639 nan 8.370 nan 0.000 0.486 95 T N 0.984 115.437 114.554 -0.169 0.000 3.085 95 T HA 0.161 4.511 4.350 -0.000 0.000 0.264 95 T C 1.007 175.655 174.700 -0.086 0.000 1.019 95 T CA -0.181 61.833 62.100 -0.144 0.000 0.910 95 T CB -0.132 68.639 68.868 -0.161 0.000 1.059 95 T HN 0.331 nan 8.240 nan 0.000 0.542 96 L N 0.626 121.800 121.223 -0.082 0.000 2.781 96 L HA 0.453 4.792 4.340 -0.000 0.000 0.245 96 L C 1.089 177.946 176.870 -0.022 0.000 1.118 96 L CA -0.095 54.730 54.840 -0.025 0.000 0.918 96 L CB 0.235 42.290 42.059 -0.007 0.000 1.246 96 L HN 0.070 nan 8.230 nan 0.000 0.526 97 S N 0.745 116.404 115.700 -0.069 0.000 2.558 97 S HA -0.102 4.368 4.470 -0.000 0.000 0.287 97 S C 0.932 175.519 174.600 -0.022 0.000 1.321 97 S CA -0.170 57.988 58.200 -0.070 0.000 1.048 97 S CB 0.405 63.508 63.200 -0.162 0.000 0.844 97 S HN 0.249 nan 8.310 nan 0.000 0.512 98 D N 1.709 122.119 120.400 0.018 0.000 2.271 98 D HA -0.105 4.535 4.640 -0.000 0.000 0.207 98 D C 1.768 178.067 176.300 -0.001 0.000 0.983 98 D CA 0.852 54.908 54.000 0.093 0.000 0.878 98 D CB -0.008 40.860 40.800 0.114 0.000 0.920 98 D HN 0.284 nan 8.370 nan 0.000 0.479 99 V N 0.118 119.988 119.914 -0.073 0.000 2.346 99 V HA -0.154 3.965 4.120 -0.000 0.000 0.244 99 V C 2.585 178.591 176.094 -0.145 0.000 1.037 99 V CA 0.691 62.916 62.300 -0.125 0.000 1.029 99 V CB -0.237 31.489 31.823 -0.161 0.000 0.663 99 V HN 0.026 nan 8.190 nan 0.000 0.454 100 V N 0.080 119.911 119.914 -0.138 0.000 2.214 100 V HA -0.281 3.838 4.120 -0.000 0.000 0.245 100 V C 2.611 178.642 176.094 -0.104 0.000 1.047 100 V CA 2.293 64.517 62.300 -0.128 0.000 0.998 100 V CB -0.740 31.010 31.823 -0.120 0.000 0.633 100 V HN 0.422 nan 8.190 nan 0.000 0.446 101 R N -0.444 120.036 120.500 -0.035 0.000 2.117 101 R HA -0.251 4.089 4.340 -0.000 0.000 0.243 101 R C 2.379 178.605 176.300 -0.124 0.000 1.143 101 R CA 1.968 58.092 56.100 0.040 0.000 0.968 101 R CB -0.389 30.034 30.300 0.205 0.000 0.863 101 R HN 0.735 nan 8.270 nan 0.000 0.444 102 E N 0.463 120.422 120.200 -0.402 0.000 2.077 102 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 102 E C 1.892 178.207 176.600 -0.474 0.000 0.989 102 E CA 1.216 57.054 56.400 -0.937 0.000 0.800 102 E CB -0.046 29.151 29.700 -0.839 0.000 0.746 102 E HN 0.344 nan 8.360 nan 0.000 0.452 103 A N 0.809 123.460 122.820 -0.282 0.000 1.877 103 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 103 A C 2.128 179.614 177.584 -0.164 0.000 1.186 103 A CA 1.695 53.619 52.037 -0.188 0.000 0.620 103 A CB -0.624 18.294 19.000 -0.138 0.000 0.822 103 A HN 0.365 nan 8.150 nan 0.000 0.443 104 Q N -0.624 119.086 119.800 -0.150 0.000 1.956 104 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 104 Q C 2.458 178.394 176.000 -0.107 0.000 0.998 104 Q CA 1.785 57.510 55.803 -0.131 0.000 0.855 104 Q CB -0.499 28.174 28.738 -0.109 0.000 0.928 104 Q HN 0.661 nan 8.270 nan 0.000 0.418 105 A N 0.759 123.532 122.820 -0.079 0.000 1.997 105 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 105 A C 2.207 179.704 177.584 -0.144 0.000 1.172 105 A CA 1.929 53.934 52.037 -0.053 0.000 0.645 105 A CB -1.267 17.740 19.000 0.012 0.000 0.813 105 A HN 0.555 nan 8.150 nan 0.000 0.454 106 G N -1.616 107.045 108.800 -0.233 0.000 2.403 106 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 106 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 106 G C 1.416 176.054 174.900 -0.436 0.000 1.154 106 G CA 1.226 46.098 45.100 -0.380 0.000 0.784 106 G HN 0.395 nan 8.290 nan 0.000 0.538 107 M N 0.469 119.965 119.600 -0.173 0.000 2.296 107 M HA 0.123 4.603 4.480 -0.000 0.000 0.265 107 M C 2.380 178.686 176.300 0.011 0.000 1.064 107 M CA 0.589 55.889 55.300 0.002 0.000 1.109 107 M CB -0.097 32.505 32.600 0.004 0.000 1.396 107 M HN 0.047 nan 8.290 nan 0.000 0.430 108 V N -0.360 119.528 119.914 -0.044 0.000 2.548 108 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 108 V C 2.206 178.316 176.094 0.026 0.000 1.055 108 V CA 1.899 64.213 62.300 0.022 0.000 1.065 108 V CB -0.680 31.161 31.823 0.030 0.000 0.681 108 V HN 0.587 nan 8.190 nan 0.000 0.462 109 E N -0.191 119.960 120.200 -0.082 0.000 2.107 109 E HA -0.183 4.166 4.350 -0.000 0.000 0.191 109 E C 2.069 178.654 176.600 -0.025 0.000 0.982 109 E CA 1.164 57.507 56.400 -0.095 0.000 0.809 109 E CB -0.171 29.397 29.700 -0.219 0.000 0.756 109 E HN 0.479 nan 8.360 nan 0.000 0.459 110 F N 1.504 121.461 119.950 0.012 0.000 2.171 110 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 110 F C 2.441 178.239 175.800 -0.003 0.000 1.090 110 F CA 1.456 59.449 58.000 -0.013 0.000 1.293 110 F CB -0.975 38.016 39.000 -0.016 0.000 1.013 110 F HN 0.061 nan 8.300 nan 0.000 0.486 111 T N 0.695 115.386 114.554 0.229 0.000 2.614 111 T HA -0.151 4.199 4.350 -0.000 0.000 0.263 111 T C 2.167 176.946 174.700 0.131 0.000 1.055 111 T CA 1.194 63.412 62.100 0.196 0.000 1.162 111 T CB -0.701 68.336 68.868 0.281 0.000 0.863 111 T HN 0.152 nan 8.240 nan 0.000 0.414 112 L N 1.084 122.363 121.223 0.092 0.000 2.642 112 L HA 0.017 4.357 4.340 -0.000 0.000 0.236 112 L C 2.298 179.206 176.870 0.063 0.000 1.169 112 L CA 0.164 55.040 54.840 0.061 0.000 0.851 112 L CB -0.697 41.390 42.059 0.047 0.000 0.968 112 L HN 0.214 nan 8.230 nan 0.000 0.453 113 L N 0.340 121.564 121.223 0.003 0.000 1.989 113 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 113 L C 1.958 178.637 176.870 -0.318 0.000 1.071 113 L CA 1.908 56.627 54.840 -0.202 0.000 0.749 113 L CB -0.262 41.652 42.059 -0.242 0.000 0.890 113 L HN 0.302 nan 8.230 nan 0.000 0.431 114 N N -2.022 116.586 118.700 -0.154 0.000 2.236 114 N HA 0.007 4.746 4.740 -0.000 0.000 0.196 114 N C -0.251 175.290 175.510 0.051 0.000 1.114 114 N CA 0.007 53.002 53.050 -0.091 0.000 0.859 114 N CB -0.166 38.274 38.487 -0.078 0.000 0.982 114 N HN 0.444 nan 8.380 nan 0.000 0.493 115 H N 1.706 120.784 119.070 0.014 0.000 2.771 115 H HA 0.067 4.623 4.556 -0.000 0.000 0.364 115 H C -1.006 174.367 175.328 0.075 0.000 1.133 115 H CA -0.502 55.579 56.048 0.054 0.000 1.423 115 H CB 1.255 31.052 29.762 0.058 0.000 1.425 115 H HN 0.012 nan 8.280 nan 0.000 0.606 116 P HA -0.008 nan 4.420 nan 0.000 0.219 116 P C -0.354 177.018 177.300 0.119 0.000 1.154 116 P CA 0.709 63.829 63.100 0.033 0.000 0.826 116 P CB 1.214 32.879 31.700 -0.057 0.000 0.795 117 L N -0.369 120.955 121.223 0.169 0.000 3.266 117 L HA -0.079 4.261 4.340 -0.000 0.000 0.514 117 L C -0.431 176.508 176.870 0.115 0.000 1.298 117 L CA -0.094 54.834 54.840 0.147 0.000 0.913 117 L CB -1.785 40.345 42.059 0.119 0.000 1.885 117 L HN -0.012 nan 8.230 nan 0.000 0.735 118 D N -1.488 118.989 120.400 0.128 0.000 2.433 118 D HA 0.175 4.815 4.640 -0.000 0.000 0.211 118 D C 1.653 178.012 176.300 0.100 0.000 1.114 118 D CA 0.279 54.341 54.000 0.103 0.000 0.837 118 D CB 0.227 41.087 40.800 0.102 0.000 0.984 118 D HN 0.478 nan 8.370 nan 0.000 0.505 119 C N 1.780 121.147 119.300 0.111 0.000 2.369 119 C HA -0.180 4.280 4.460 -0.000 0.000 0.273 119 C C -0.143 174.901 174.990 0.089 0.000 1.172 119 C CA 0.899 59.981 59.018 0.106 0.000 1.791 119 C CB -1.381 26.417 27.740 0.097 0.000 2.086 119 C HN 0.370 nan 8.230 nan 0.000 0.459 120 P HA -0.056 nan 4.420 nan 0.000 0.216 120 P C 1.606 178.911 177.300 0.010 0.000 1.153 120 P CA 1.778 64.908 63.100 0.050 0.000 0.844 120 P CB -0.317 31.403 31.700 0.033 0.000 0.787 121 T N -1.313 113.245 114.554 0.007 0.000 3.014 121 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 121 T C 0.833 175.525 174.700 -0.013 0.000 1.078 121 T CA 0.167 62.245 62.100 -0.037 0.000 1.135 121 T CB -0.649 68.223 68.868 0.006 0.000 0.895 121 T HN 0.123 nan 8.240 nan 0.000 0.480 122 C N 2.685 122.020 119.300 0.058 0.000 2.648 122 C HA 0.137 4.596 4.460 -0.000 0.000 0.419 122 C C 1.659 176.701 174.990 0.087 0.000 1.352 122 C CA -0.611 58.470 59.018 0.105 0.000 1.816 122 C CB -0.305 27.507 27.740 0.121 0.000 2.598 122 C HN 0.406 nan 8.230 nan 0.000 0.598 123 D N 1.948 122.429 120.400 0.135 0.000 2.363 123 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 123 D C 1.636 177.982 176.300 0.077 0.000 0.994 123 D CA 0.708 54.774 54.000 0.111 0.000 0.890 123 D CB 0.071 40.996 40.800 0.208 0.000 0.906 123 D HN 0.504 nan 8.370 nan 0.000 0.530 124 K N 0.457 120.913 120.400 0.093 0.000 2.505 124 K HA 0.096 4.416 4.320 -0.000 0.000 0.192 124 K C 1.232 177.893 176.600 0.102 0.000 1.025 124 K CA 0.076 56.416 56.287 0.089 0.000 1.086 124 K CB -0.536 32.021 32.500 0.096 0.000 0.840 124 K HN 0.160 nan 8.250 nan 0.000 0.514 125 G N 0.624 109.489 108.800 0.107 0.000 2.668 125 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.838 125 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.838 125 G C 1.009 176.059 174.900 0.250 0.000 1.199 125 G CA 0.893 46.104 45.100 0.186 0.000 0.869 125 G HN 0.406 nan 8.290 nan 0.000 0.699 126 G N -0.500 108.534 108.800 0.390 0.000 2.985 126 G HA2 0.443 4.403 3.960 -0.000 0.000 0.209 126 G HA3 0.443 4.403 3.960 -0.000 0.000 0.209 126 G C 1.135 176.152 174.900 0.194 0.000 1.165 126 G CA 1.132 46.412 45.100 0.300 0.000 0.776 126 G HN 1.437 nan 8.290 nan 0.000 0.541 127 A N -0.275 122.642 122.820 0.162 0.000 2.507 127 A HA 0.376 4.696 4.320 -0.000 0.000 0.270 127 A C 0.681 178.316 177.584 0.086 0.000 1.318 127 A CA -0.304 51.797 52.037 0.108 0.000 0.924 127 A CB -0.636 18.413 19.000 0.082 0.000 1.061 127 A HN 0.381 nan 8.150 nan 0.000 0.516 128 C N 1.040 120.397 119.300 0.095 0.000 2.223 128 C HA 0.397 4.857 4.460 -0.000 0.000 0.324 128 C C 1.350 176.389 174.990 0.083 0.000 1.196 128 C CA -0.459 58.604 59.018 0.076 0.000 1.628 128 C CB -0.965 26.823 27.740 0.080 0.000 2.229 128 C HN 0.757 nan 8.230 nan 0.000 0.486 129 E N 2.557 122.804 120.200 0.078 0.000 2.114 129 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 129 E C 1.680 178.408 176.600 0.214 0.000 1.008 129 E CA 1.414 57.903 56.400 0.148 0.000 0.810 129 E CB -0.177 29.612 29.700 0.148 0.000 0.739 129 E HN 0.830 nan 8.360 nan 0.000 0.456 130 L N 1.372 122.615 121.223 0.034 0.000 2.017 130 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 130 L C 2.371 179.331 176.870 0.149 0.000 1.073 130 L CA 1.851 56.715 54.840 0.040 0.000 0.745 130 L CB -0.382 41.554 42.059 -0.205 0.000 0.894 130 L HN 0.065 nan 8.230 nan 0.000 0.432 131 Q N -0.576 119.274 119.800 0.083 0.000 2.030 131 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 131 Q C 1.859 177.925 176.000 0.111 0.000 0.986 131 Q CA 2.139 57.992 55.803 0.083 0.000 0.843 131 Q CB -0.177 28.607 28.738 0.077 0.000 0.904 131 Q HN 0.594 nan 8.270 nan 0.000 0.420 132 D N -0.305 120.174 120.400 0.131 0.000 2.117 132 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 132 D C 1.804 178.197 176.300 0.154 0.000 0.987 132 D CA 1.003 55.078 54.000 0.124 0.000 0.829 132 D CB -0.100 40.778 40.800 0.129 0.000 0.961 132 D HN -0.005 nan 8.370 nan 0.000 0.460 133 R N -0.326 120.320 120.500 0.244 0.000 2.189 133 R HA 0.073 4.413 4.340 -0.000 0.000 0.218 133 R C 2.003 178.448 176.300 0.241 0.000 1.074 133 R CA 0.924 57.199 56.100 0.292 0.000 0.991 133 R CB -0.274 30.201 30.300 0.292 0.000 0.883 133 R HN 0.075 nan 8.270 nan 0.000 0.457 134 T N -1.029 113.639 114.554 0.190 0.000 2.942 134 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 134 T C 1.548 176.306 174.700 0.097 0.000 1.062 134 T CA 0.989 63.173 62.100 0.140 0.000 1.139 134 T CB 0.053 68.990 68.868 0.116 0.000 0.883 134 T HN 0.011 nan 8.240 nan 0.000 0.468 135 V N 0.847 120.805 119.914 0.073 0.000 3.052 135 V HA 0.050 4.170 4.120 -0.000 0.000 0.254 135 V C 2.066 178.148 176.094 -0.020 0.000 1.100 135 V CA 1.182 63.504 62.300 0.035 0.000 1.112 135 V CB -0.115 31.726 31.823 0.031 0.000 0.738 135 V HN 0.463 nan 8.190 nan 0.000 0.469 136 E N -0.710 119.459 120.200 -0.052 0.000 2.021 136 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 136 E C 1.344 177.733 176.600 -0.352 0.000 0.980 136 E CA 1.507 57.748 56.400 -0.266 0.000 0.803 136 E CB -0.036 29.422 29.700 -0.403 0.000 0.766 136 E HN 0.747 nan 8.360 nan 0.000 0.449 137 Y N -0.395 119.911 120.300 0.009 0.000 2.481 137 Y HA 0.310 4.860 4.550 -0.000 0.000 0.247 137 Y C 1.004 176.908 175.900 0.007 0.000 1.151 137 Y CA -0.326 57.773 58.100 -0.001 0.000 1.238 137 Y CB 1.125 39.566 38.460 -0.033 0.000 1.179 137 Y HN -0.020 nan 8.280 nan 0.000 0.524 138 G N -0.364 108.515 108.800 0.130 0.000 2.702 138 G HA2 0.449 4.409 3.960 -0.000 0.000 0.254 138 G HA3 0.449 4.409 3.960 -0.000 0.000 0.254 138 G C -0.255 174.688 174.900 0.071 0.000 1.380 138 G CA -0.852 44.302 45.100 0.091 0.000 1.042 138 G HN 0.180 nan 8.290 nan 0.000 0.557 139 L N -0.107 121.148 121.223 0.053 0.000 3.828 139 L HA -0.200 4.139 4.340 -0.000 0.000 0.562 139 L C -0.479 176.402 176.870 0.019 0.000 1.083 139 L CA -0.209 54.640 54.840 0.015 0.000 0.849 139 L CB -1.083 40.960 42.059 -0.026 0.000 1.134 139 L HN 0.608 nan 8.230 nan 0.000 0.757 140 Y N 2.938 123.184 120.300 -0.091 0.000 2.359 140 Y HA 0.202 4.751 4.550 -0.000 0.000 0.330 140 Y C 0.876 176.690 175.900 -0.143 0.000 1.143 140 Y CA -0.252 57.791 58.100 -0.095 0.000 1.318 140 Y CB 0.809 39.218 38.460 -0.084 0.000 1.234 140 Y HN 0.357 nan 8.280 nan 0.000 0.522 141 E N 6.229 125.988 120.200 -0.736 0.000 2.001 141 E HA 0.138 4.488 4.350 -0.000 0.000 0.279 141 E C -0.981 175.023 176.600 -0.993 0.000 1.045 141 E CA -0.708 55.257 56.400 -0.727 0.000 0.833 141 E CB 0.174 29.568 29.700 -0.510 0.000 1.077 141 E HN 0.553 nan 8.360 nan 0.000 0.397 142 K N 3.101 123.076 120.400 -0.708 0.000 2.258 142 K HA 0.293 4.613 4.320 -0.000 0.000 0.284 142 K C -0.929 175.392 176.600 -0.465 0.000 1.051 142 K CA -0.172 55.862 56.287 -0.422 0.000 0.923 142 K CB 0.853 33.285 32.500 -0.113 0.000 1.046 142 K HN 0.318 nan 8.250 nan 0.000 0.474 151 L N 5.667 126.872 121.223 -0.030 0.000 2.806 151 L HA -0.005 4.335 4.340 -0.000 0.000 0.282 151 L C -1.937 174.892 176.870 -0.068 0.000 1.166 151 L CA -0.409 54.410 54.840 -0.034 0.000 0.969 151 L CB -0.290 41.761 42.059 -0.012 0.000 1.304 151 L HN 0.197 nan 8.230 nan 0.000 0.474 152 P HA 0.153 nan 4.420 nan 0.000 0.278 152 P C -0.726 176.457 177.300 -0.194 0.000 1.238 152 P CA -0.360 62.618 63.100 -0.202 0.000 0.794 152 P CB 1.418 32.919 31.700 -0.331 0.000 0.955 153 V N 3.705 123.521 119.914 -0.163 0.000 2.370 153 V HA 0.084 4.204 4.120 -0.000 0.000 0.279 153 V C 0.617 176.667 176.094 -0.072 0.000 1.029 153 V CA -0.031 62.226 62.300 -0.071 0.000 0.870 153 V CB 0.573 32.382 31.823 -0.023 0.000 0.984 153 V HN 0.503 nan 8.190 nan 0.000 0.451 154 Y N 2.700 123.006 120.300 0.010 0.000 2.262 154 Y HA 0.112 4.662 4.550 -0.000 0.000 0.295 154 Y C 1.606 177.525 175.900 0.033 0.000 1.121 154 Y CA 1.081 59.192 58.100 0.018 0.000 1.144 154 Y CB 0.472 38.944 38.460 0.020 0.000 1.043 154 Y HN 0.541 nan 8.280 nan 0.000 0.528 155 T N 0.359 115.037 114.554 0.208 0.000 2.841 155 T HA 0.328 4.678 4.350 -0.000 0.000 0.285 155 T C 0.575 175.349 174.700 0.123 0.000 0.991 155 T CA -0.655 61.540 62.100 0.159 0.000 0.966 155 T CB 0.947 69.912 68.868 0.161 0.000 0.962 155 T HN 0.064 nan 8.240 nan 0.000 0.438 156 R N 2.831 123.412 120.500 0.133 0.000 2.075 156 R HA 0.117 4.457 4.340 -0.000 0.000 0.220 156 R C 0.655 177.051 176.300 0.159 0.000 1.118 156 R CA 0.214 56.385 56.100 0.119 0.000 0.986 156 R CB -0.343 30.026 30.300 0.116 0.000 0.884 156 R HN 0.601 nan 8.270 nan 0.000 0.439 157 F N 4.345 124.354 119.950 0.098 0.000 2.571 157 F HA -0.076 4.451 4.527 -0.000 0.000 0.390 157 F C 0.578 176.415 175.800 0.061 0.000 1.043 157 F CA 0.180 58.275 58.000 0.159 0.000 1.164 157 F CB 0.348 39.462 39.000 0.190 0.000 1.049 157 F HN 0.109 nan 8.300 nan 0.000 0.552 158 E N 5.672 125.538 120.200 -0.558 0.000 3.582 158 E HA 0.233 4.583 4.350 -0.000 0.000 0.217 158 E C -1.177 174.817 176.600 -1.009 0.000 1.092 158 E CA -0.357 55.675 56.400 -0.615 0.000 1.365 158 E CB -0.007 29.425 29.700 -0.446 0.000 1.278 158 E HN 0.419 nan 8.360 nan 0.000 0.439 159 F N 0.092 119.510 119.950 -0.887 0.000 2.790 159 F HA 0.419 4.946 4.527 -0.000 0.000 0.386 159 F C 0.712 176.413 175.800 -0.166 0.000 1.206 159 F CA -1.300 56.363 58.000 -0.561 0.000 1.109 159 F CB 1.022 39.595 39.000 -0.710 0.000 1.469 159 F HN -0.233 nan 8.300 nan 0.000 0.513 160 T N 2.111 116.797 114.554 0.220 0.000 2.737 160 T HA 0.321 4.671 4.350 -0.000 0.000 0.296 160 T C 0.186 175.004 174.700 0.197 0.000 0.922 160 T CA -0.519 61.680 62.100 0.165 0.000 1.079 160 T CB 0.029 68.961 68.868 0.107 0.000 0.892 160 T HN 0.280 nan 8.240 nan 0.000 0.514 161 R N 1.710 122.293 120.500 0.139 0.000 2.863 161 R HA 0.224 4.564 4.340 -0.000 0.000 0.273 161 R C 0.872 177.043 176.300 -0.214 0.000 1.057 161 R CA -0.581 55.563 56.100 0.073 0.000 1.191 161 R CB 0.496 30.853 30.300 0.094 0.000 1.104 161 R HN 0.473 nan 8.270 nan 0.000 0.519 162 R N 1.396 121.834 120.500 -0.103 0.000 2.401 162 R HA 0.020 4.360 4.340 -0.000 0.000 0.299 162 R C -0.814 175.450 176.300 -0.060 0.000 1.064 162 R CA 0.169 56.227 56.100 -0.070 0.000 1.000 162 R CB 0.254 30.567 30.300 0.023 0.000 0.973 162 R HN 0.598 nan 8.270 nan 0.000 0.438 163 H N 3.214 122.328 119.070 0.073 0.000 2.587 163 H HA 0.336 4.892 4.556 -0.000 0.000 0.325 163 H C -0.033 175.297 175.328 0.004 0.000 1.012 163 H CA -0.906 55.165 56.048 0.037 0.000 1.213 163 H CB 1.488 31.276 29.762 0.042 0.000 1.431 163 H HN 0.481 nan 8.280 nan 0.000 0.492 164 V N -0.455 119.513 119.914 0.089 0.000 3.109 164 V HA 0.349 4.469 4.120 -0.000 0.000 0.311 164 V C -0.350 175.685 176.094 -0.098 0.000 1.389 164 V CA -1.281 60.999 62.300 -0.032 0.000 1.034 164 V CB 1.442 33.207 31.823 -0.097 0.000 1.105 164 V HN 0.665 nan 8.190 nan 0.000 0.477 165 D N 0.680 120.971 120.400 -0.182 0.000 2.493 165 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 165 D C -0.296 175.875 176.300 -0.215 0.000 1.142 165 D CA 0.793 54.665 54.000 -0.213 0.000 0.872 165 D CB 0.424 41.053 40.800 -0.285 0.000 1.173 165 D HN 0.739 nan 8.370 nan 0.000 0.467 166 K N 1.245 121.452 120.400 -0.320 0.000 2.443 166 K HA 0.268 4.588 4.320 -0.000 0.000 0.251 166 K C -0.838 175.343 176.600 -0.698 0.000 0.972 166 K CA -1.124 54.920 56.287 -0.406 0.000 0.833 166 K CB 0.985 33.265 32.500 -0.366 0.000 1.317 166 K HN 0.827 nan 8.250 nan 0.000 0.441 167 H N -0.898 118.200 119.070 0.048 0.000 2.415 167 H HA -0.251 4.305 4.556 -0.000 0.000 0.323 167 H C -1.340 174.025 175.328 0.061 0.000 1.035 167 H CA 1.221 57.291 56.048 0.038 0.000 1.098 167 H CB -2.235 27.531 29.762 0.007 0.000 1.575 167 H HN 0.567 nan 8.280 nan 0.000 0.387 168 H N 1.326 120.398 119.070 0.005 0.000 2.587 168 H HA 0.426 4.982 4.556 -0.000 0.000 0.325 168 H C -2.723 172.617 175.328 0.020 0.000 1.012 168 H CA -2.570 53.483 56.048 0.007 0.000 1.213 168 H CB 1.666 31.407 29.762 -0.035 0.000 1.431 168 H HN 0.262 nan 8.280 nan 0.000 0.492 169 P HA -0.011 nan 4.420 nan 0.000 0.276 169 P C 0.510 177.735 177.300 -0.124 0.000 1.243 169 P CA -0.063 62.953 63.100 -0.140 0.000 0.768 169 P CB 1.723 33.315 31.700 -0.180 0.000 0.856 170 L N 1.546 122.821 121.223 0.087 0.000 2.270 170 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 170 L C 1.435 178.355 176.870 0.083 0.000 1.104 170 L CA 1.072 56.004 54.840 0.154 0.000 0.804 170 L CB -0.222 41.943 42.059 0.178 0.000 0.937 170 L HN 0.535 nan 8.230 nan 0.000 0.450 171 S N -2.048 113.664 115.700 0.019 0.000 2.643 171 S HA 0.384 4.854 4.470 -0.000 0.000 0.270 171 S C -2.494 172.010 174.600 -0.160 0.000 1.166 171 S CA -0.911 57.274 58.200 -0.025 0.000 0.815 171 S CB 1.404 64.643 63.200 0.065 0.000 1.139 171 S HN -0.204 nan 8.310 nan 0.000 0.472 172 P HA 0.239 nan 4.420 nan 0.000 0.252 172 P C -0.019 176.822 177.300 -0.765 0.000 1.265 172 P CA 0.480 63.233 63.100 -0.579 0.000 0.775 172 P CB -0.576 30.646 31.700 -0.797 0.000 1.128 173 F N -1.799 117.990 119.950 -0.268 0.000 2.817 173 F HA 0.197 4.724 4.527 -0.000 0.000 0.333 173 F C 0.609 176.282 175.800 -0.211 0.000 1.085 173 F CA -0.161 57.551 58.000 -0.480 0.000 1.170 173 F CB 1.033 39.239 39.000 -1.325 0.000 1.066 173 F HN -0.374 nan 8.300 nan 0.000 0.564 174 V N 2.130 122.078 119.914 0.058 0.000 2.612 174 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 174 V C -1.004 175.142 176.094 0.087 0.000 1.059 174 V CA -0.943 61.432 62.300 0.125 0.000 0.886 174 V CB 2.826 34.749 31.823 0.166 0.000 1.007 174 V HN 0.057 nan 8.190 nan 0.000 0.426 175 I N 5.415 126.040 120.570 0.092 0.000 2.474 175 I HA 0.616 4.786 4.170 -0.000 0.000 0.294 175 I C -1.309 174.870 176.117 0.104 0.000 1.005 175 I CA -0.969 60.377 61.300 0.077 0.000 1.113 175 I CB 1.772 39.793 38.000 0.035 0.000 1.289 175 I HN 0.594 nan 8.210 nan 0.000 0.436 176 L N 7.913 129.215 121.223 0.132 0.000 2.294 176 L HA 0.495 4.834 4.340 -0.000 0.000 0.283 176 L C -0.943 175.971 176.870 0.073 0.000 1.015 176 L CA 0.008 54.915 54.840 0.111 0.000 0.831 176 L CB 1.064 43.203 42.059 0.134 0.000 1.217 176 L HN 0.481 nan 8.230 nan 0.000 0.420 177 D N 4.218 124.647 120.400 0.047 0.000 2.373 177 D HA 0.257 4.897 4.640 -0.000 0.000 0.227 177 D C 0.741 177.032 176.300 -0.014 0.000 1.091 177 D CA -0.207 53.800 54.000 0.012 0.000 0.840 177 D CB 1.263 42.082 40.800 0.032 0.000 1.060 177 D HN 0.628 nan 8.370 nan 0.000 0.502 178 R N 2.147 122.621 120.500 -0.043 0.000 2.100 178 R HA 0.003 4.343 4.340 -0.000 0.000 0.220 178 R C 1.706 177.989 176.300 -0.028 0.000 1.091 178 R CA 0.545 56.624 56.100 -0.036 0.000 0.986 178 R CB 0.396 30.649 30.300 -0.078 0.000 0.888 178 R HN 0.502 nan 8.270 nan 0.000 0.444 179 E N 0.618 120.791 120.200 -0.045 0.000 2.130 179 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 179 E C 1.900 178.421 176.600 -0.132 0.000 0.998 179 E CA 1.227 57.599 56.400 -0.046 0.000 0.806 179 E CB 0.034 29.715 29.700 -0.032 0.000 0.738 179 E HN 0.285 nan 8.360 nan 0.000 0.459 180 R N -0.013 120.391 120.500 -0.160 0.000 2.200 180 R HA 0.053 4.393 4.340 -0.000 0.000 0.208 180 R C 1.217 177.484 176.300 -0.055 0.000 1.033 180 R CA -0.042 55.895 56.100 -0.272 0.000 1.000 180 R CB -0.295 29.930 30.300 -0.124 0.000 0.906 180 R HN 0.123 nan 8.270 nan 0.000 0.462 181 C N 2.759 122.043 119.300 -0.026 0.000 2.538 181 C HA 0.012 4.472 4.460 -0.000 0.000 0.408 181 C C 1.841 176.849 174.990 0.030 0.000 1.421 181 C CA -0.367 58.637 59.018 -0.023 0.000 1.642 181 C CB -0.673 27.009 27.740 -0.097 0.000 2.553 181 C HN 0.588 nan 8.230 nan 0.000 0.604 182 I N 2.203 122.818 120.570 0.075 0.000 3.891 182 I HA 0.333 4.503 4.170 -0.000 0.000 0.331 182 I C 0.577 176.866 176.117 0.288 0.000 1.406 182 I CA -0.293 61.120 61.300 0.188 0.000 1.139 182 I CB -0.894 37.138 38.000 0.052 0.000 1.056 182 I HN 0.931 nan 8.210 nan 0.000 0.399 183 H N -0.005 119.170 119.070 0.174 0.000 2.861 183 H HA -0.202 4.354 4.556 -0.000 0.000 0.289 183 H C 1.385 176.810 175.328 0.163 0.000 1.176 183 H CA 0.679 56.846 56.048 0.199 0.000 1.146 183 H CB -2.411 27.348 29.762 -0.004 0.000 1.330 183 H HN 0.881 nan 8.280 nan 0.000 0.379 184 C N -0.723 118.722 119.300 0.241 0.000 2.946 184 C HA 0.167 4.626 4.460 -0.000 0.000 0.257 184 C C 1.837 177.007 174.990 0.300 0.000 1.644 184 C CA 0.415 59.560 59.018 0.212 0.000 1.918 184 C CB 0.502 28.331 27.740 0.148 0.000 2.002 184 C HN 0.716 nan 8.230 nan 0.000 0.635 185 K N -1.193 119.353 120.400 0.243 0.000 2.520 185 K HA 0.220 4.540 4.320 -0.000 0.000 0.206 185 K C 2.194 178.898 176.600 0.174 0.000 1.122 185 K CA -0.274 56.192 56.287 0.298 0.000 1.045 185 K CB -0.089 32.586 32.500 0.292 0.000 0.932 185 K HN 0.602 nan 8.250 nan 0.000 0.571 186 R N 0.271 120.851 120.500 0.133 0.000 2.190 186 R HA -0.303 4.037 4.340 -0.000 0.000 0.255 186 R C 2.419 178.763 176.300 0.074 0.000 1.143 186 R CA 2.510 58.667 56.100 0.095 0.000 0.965 186 R CB -0.909 29.425 30.300 0.056 0.000 0.889 186 R HN 0.487 nan 8.270 nan 0.000 0.448 187 C N -0.952 118.361 119.300 0.022 0.000 2.541 187 C HA 0.036 4.496 4.460 -0.000 0.000 0.282 187 C C 2.684 177.673 174.990 -0.002 0.000 1.263 187 C CA 0.411 59.404 59.018 -0.041 0.000 1.709 187 C CB -1.370 26.314 27.740 -0.094 0.000 2.097 187 C HN 0.432 nan 8.230 nan 0.000 0.480 188 V N 1.693 121.604 119.914 -0.004 0.000 2.407 188 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 188 V C 2.776 178.935 176.094 0.107 0.000 1.055 188 V CA 2.439 64.768 62.300 0.048 0.000 1.049 188 V CB -1.128 30.660 31.823 -0.058 0.000 0.662 188 V HN 0.613 nan 8.190 nan 0.000 0.455 189 R N -0.804 119.767 120.500 0.118 0.000 2.097 189 R HA -0.226 4.114 4.340 -0.000 0.000 0.236 189 R C 2.348 178.717 176.300 0.115 0.000 1.135 189 R CA 2.594 58.768 56.100 0.123 0.000 0.934 189 R CB -0.936 29.447 30.300 0.139 0.000 0.846 189 R HN 0.782 nan 8.270 nan 0.000 0.431 190 Y N 0.121 120.409 120.300 -0.019 0.000 2.081 190 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 190 Y C 1.822 177.688 175.900 -0.057 0.000 1.163 190 Y CA 1.724 59.765 58.100 -0.098 0.000 1.135 190 Y CB -0.599 37.746 38.460 -0.192 0.000 0.970 190 Y HN 0.022 nan 8.280 nan 0.000 0.498 191 F N 1.232 121.023 119.950 -0.266 0.000 2.091 191 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 191 F C 2.556 178.205 175.800 -0.251 0.000 1.103 191 F CA 1.992 59.781 58.000 -0.352 0.000 1.228 191 F CB -1.235 37.696 39.000 -0.115 0.000 0.984 191 F HN 0.417 nan 8.300 nan 0.000 0.477 192 E N 0.038 120.273 120.200 0.059 0.000 2.106 192 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 192 E C 1.770 178.357 176.600 -0.021 0.000 0.984 192 E CA 1.886 58.303 56.400 0.028 0.000 0.806 192 E CB -0.449 29.274 29.700 0.039 0.000 0.750 192 E HN 0.492 nan 8.360 nan 0.000 0.458 193 E N -0.441 119.718 120.200 -0.068 0.000 2.099 193 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 193 E C 1.964 178.481 176.600 -0.139 0.000 0.962 193 E CA 0.794 57.146 56.400 -0.080 0.000 0.826 193 E CB 0.351 30.039 29.700 -0.020 0.000 0.788 193 E HN 0.121 nan 8.360 nan 0.000 0.461 194 V N 1.454 121.201 119.914 -0.279 0.000 2.398 194 V HA -0.043 4.077 4.120 -0.000 0.000 0.236 194 V C -1.185 174.731 176.094 -0.297 0.000 1.054 194 V CA 1.227 63.309 62.300 -0.363 0.000 1.060 194 V CB -0.747 30.707 31.823 -0.616 0.000 0.707 194 V HN 0.191 nan 8.190 nan 0.000 0.480 195 P HA 0.102 nan 4.420 nan 0.000 0.220 195 P C 0.919 178.327 177.300 0.182 0.000 1.154 195 P CA 1.812 64.792 63.100 -0.199 0.000 0.830 195 P CB 0.196 31.770 31.700 -0.210 0.000 0.803 196 G N 0.287 109.152 108.800 0.107 0.000 2.288 196 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.205 196 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.205 196 G C -0.823 174.143 174.900 0.110 0.000 1.071 196 G CA -0.461 44.783 45.100 0.240 0.000 0.788 196 G HN 0.268 nan 8.290 nan 0.000 0.491 197 D N 0.746 121.135 120.400 -0.018 0.000 2.378 197 D HA 0.219 4.859 4.640 -0.000 0.000 0.265 197 D C 0.237 176.373 176.300 -0.273 0.000 1.229 197 D CA -0.402 53.504 54.000 -0.157 0.000 0.914 197 D CB 0.805 41.452 40.800 -0.255 0.000 1.140 197 D HN 0.489 nan 8.370 nan 0.000 0.516 198 E N 0.931 121.046 120.200 -0.140 0.000 2.053 198 E HA 0.051 4.401 4.350 -0.000 0.000 0.297 198 E C 1.247 177.742 176.600 -0.174 0.000 1.173 198 E CA -0.058 56.282 56.400 -0.100 0.000 1.219 198 E CB 0.273 29.953 29.700 -0.033 0.000 1.103 198 E HN 0.221 nan 8.360 nan 0.000 0.476 199 V N -0.191 119.515 119.914 -0.347 0.000 3.177 199 V HA 0.313 4.433 4.120 -0.000 0.000 0.342 199 V C -0.173 175.831 176.094 -0.150 0.000 1.379 199 V CA -0.437 61.665 62.300 -0.331 0.000 1.191 199 V CB -0.317 31.197 31.823 -0.515 0.000 1.167 199 V HN 0.204 nan 8.190 nan 0.000 0.471 200 L N 0.790 122.011 121.223 -0.004 0.000 2.611 200 L HA 0.868 5.208 4.340 -0.000 0.000 0.260 200 L C -1.618 175.238 176.870 -0.023 0.000 0.924 200 L CA 0.102 54.976 54.840 0.056 0.000 0.901 200 L CB 2.018 44.240 42.059 0.271 0.000 1.369 200 L HN 0.336 nan 8.230 nan 0.000 0.415 201 D N 1.419 121.745 120.400 -0.122 0.000 2.665 201 D HA 0.469 5.109 4.640 -0.000 0.000 0.287 201 D C -1.018 175.111 176.300 -0.286 0.000 1.266 201 D CA -0.193 53.699 54.000 -0.180 0.000 0.830 201 D CB 1.411 42.181 40.800 -0.051 0.000 1.356 201 D HN 0.105 nan 8.370 nan 0.000 0.437 202 F N 0.782 120.704 119.950 -0.047 0.000 2.399 202 F HA 0.295 4.822 4.527 -0.000 0.000 0.313 202 F C 1.442 177.102 175.800 -0.233 0.000 1.202 202 F CA -0.418 57.513 58.000 -0.116 0.000 1.192 202 F CB 0.378 39.354 39.000 -0.041 0.000 1.256 202 F HN 0.189 nan 8.300 nan 0.000 0.558 203 I N -0.594 119.819 120.570 -0.261 0.000 4.987 203 I HA 0.126 4.296 4.170 -0.000 0.000 0.240 203 I C 1.179 177.135 176.117 -0.269 0.000 0.946 203 I CA 0.021 61.055 61.300 -0.445 0.000 2.026 203 I CB -1.106 36.264 38.000 -1.049 0.000 1.509 203 I HN 0.515 nan 8.210 nan 0.000 0.472 204 E N 1.930 121.941 120.200 -0.314 0.000 4.556 204 E HA 0.165 4.515 4.350 -0.000 0.000 0.530 204 E C 0.089 176.683 176.600 -0.009 0.000 1.427 204 E CA -0.137 56.227 56.400 -0.060 0.000 3.438 204 E CB 0.341 30.083 29.700 0.070 0.000 1.625 204 E HN 0.368 nan 8.360 nan 0.000 0.559 205 R N -2.057 118.469 120.500 0.043 0.000 2.929 205 R HA 0.589 4.929 4.340 -0.000 0.000 0.259 205 R C 0.301 176.606 176.300 0.009 0.000 1.141 205 R CA -0.382 55.721 56.100 0.004 0.000 0.991 205 R CB 0.421 30.709 30.300 -0.020 0.000 1.287 205 R HN 0.646 nan 8.270 nan 0.000 0.450 206 G N -0.188 108.571 108.800 -0.069 0.000 2.528 206 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.262 206 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.262 206 G C 0.685 175.464 174.900 -0.201 0.000 1.200 206 G CA 0.530 45.553 45.100 -0.128 0.000 0.951 206 G HN 1.334 nan 8.290 nan 0.000 0.566 207 V N -1.802 117.930 119.914 -0.303 0.000 3.510 207 V HA 0.215 4.335 4.120 -0.000 0.000 0.270 207 V C 1.818 177.790 176.094 -0.203 0.000 1.201 207 V CA 2.179 64.289 62.300 -0.317 0.000 1.166 207 V CB -0.464 31.138 31.823 -0.367 0.000 0.825 207 V HN 0.680 nan 8.190 nan 0.000 0.484 208 H N 0.726 119.816 119.070 0.034 0.000 2.592 208 H HA 0.204 4.760 4.556 -0.000 0.000 0.265 208 H C 1.624 177.096 175.328 0.241 0.000 0.955 208 H CA 0.743 56.867 56.048 0.127 0.000 1.175 208 H CB 0.290 30.113 29.762 0.101 0.000 1.433 208 H HN 0.620 nan 8.280 nan 0.000 0.537 209 T N 0.464 115.176 114.554 0.263 0.000 2.855 209 T HA 0.270 4.620 4.350 -0.000 0.000 0.314 209 T C -0.012 174.993 174.700 0.509 0.000 1.077 209 T CA -0.273 61.970 62.100 0.238 0.000 1.095 209 T CB 0.220 69.158 68.868 0.116 0.000 0.987 209 T HN 0.217 nan 8.240 nan 0.000 0.546 210 F N 0.746 120.903 119.950 0.345 0.000 2.741 210 F HA 0.662 5.189 4.527 -0.000 0.000 0.311 210 F C -1.317 174.577 175.800 0.155 0.000 1.149 210 F CA -1.819 56.323 58.000 0.236 0.000 0.930 210 F CB 0.737 39.808 39.000 0.119 0.000 1.312 210 F HN 0.421 nan 8.300 nan 0.000 0.450 211 I N 1.789 122.499 120.570 0.233 0.000 2.519 211 I HA 0.650 4.820 4.170 -0.000 0.000 0.287 211 I C 0.547 176.771 176.117 0.179 0.000 1.047 211 I CA 0.244 61.528 61.300 -0.027 0.000 1.381 211 I CB 0.754 38.669 38.000 -0.142 0.000 1.417 211 I HN 0.959 nan 8.210 nan 0.000 0.540 212 G N 3.571 112.397 108.800 0.043 0.000 2.649 212 G HA2 0.539 4.498 3.960 -0.000 0.000 0.290 212 G HA3 0.539 4.498 3.960 -0.000 0.000 0.290 212 G C -1.410 173.488 174.900 -0.004 0.000 1.426 212 G CA -0.253 44.907 45.100 0.098 0.000 0.794 212 G HN 0.530 nan 8.290 nan 0.000 0.483 213 T N -0.846 113.694 114.554 -0.023 0.000 2.865 213 T HA 0.591 4.941 4.350 -0.000 0.000 0.294 213 T C 0.248 174.767 174.700 -0.302 0.000 1.119 213 T CA -0.606 61.407 62.100 -0.146 0.000 1.007 213 T CB 1.662 70.444 68.868 -0.143 0.000 1.225 213 T HN 0.312 nan 8.240 nan 0.000 0.515 214 M N 0.851 120.158 119.600 -0.488 0.000 2.251 214 M HA 0.243 4.723 4.480 -0.000 0.000 0.308 214 M C -0.517 175.125 176.300 -1.098 0.000 0.967 214 M CA 0.326 55.169 55.300 -0.762 0.000 1.103 214 M CB 0.199 32.633 32.600 -0.277 0.000 1.815 214 M HN 0.555 nan 8.290 nan 0.000 0.623 215 D N 1.021 121.022 120.400 -0.665 0.000 2.631 215 D HA 0.160 4.800 4.640 -0.000 0.000 0.227 215 D C 0.790 176.866 176.300 -0.372 0.000 1.146 215 D CA -0.118 53.629 54.000 -0.421 0.000 1.009 215 D CB -0.187 40.466 40.800 -0.244 0.000 1.057 215 D HN 0.019 nan 8.370 nan 0.000 0.509 216 F N 0.993 120.943 119.950 0.001 0.000 2.085 216 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 216 F C 2.749 178.556 175.800 0.011 0.000 1.096 216 F CA 1.290 59.300 58.000 0.016 0.000 1.227 216 F CB -0.839 38.169 39.000 0.014 0.000 0.983 216 F HN 0.391 nan 8.300 nan 0.000 0.482 217 G N 0.029 108.918 108.800 0.148 0.000 2.485 217 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.221 217 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.221 217 G C 0.805 175.744 174.900 0.065 0.000 1.115 217 G CA 0.683 45.835 45.100 0.087 0.000 0.751 217 G HN 0.369 nan 8.290 nan 0.000 0.567 218 L N -0.888 120.348 121.223 0.022 0.000 3.468 218 L HA -0.118 4.222 4.340 -0.000 0.000 0.537 218 L C -0.764 176.097 176.870 -0.015 0.000 1.321 218 L CA 0.247 55.091 54.840 0.006 0.000 0.899 218 L CB -1.594 40.531 42.059 0.111 0.000 1.635 218 L HN 0.199 nan 8.230 nan 0.000 0.856 219 P HA -0.216 nan 4.420 nan 0.000 0.214 219 P C 1.090 178.355 177.300 -0.057 0.000 1.099 219 P CA 2.136 65.198 63.100 -0.064 0.000 0.976 219 P CB 0.022 31.654 31.700 -0.113 0.000 0.774 220 S N -1.002 114.624 115.700 -0.124 0.000 2.537 220 S HA 0.039 4.509 4.470 -0.000 0.000 0.280 220 S C 1.284 175.843 174.600 -0.068 0.000 1.335 220 S CA 0.259 58.410 58.200 -0.082 0.000 1.025 220 S CB -0.003 63.168 63.200 -0.048 0.000 0.836 220 S HN 0.342 nan 8.310 nan 0.000 0.523 221 G N 0.364 109.007 108.800 -0.261 0.000 3.371 221 G HA2 0.433 4.393 3.960 -0.000 0.000 0.248 221 G HA3 0.433 4.393 3.960 -0.000 0.000 0.248 221 G C -0.166 174.299 174.900 -0.724 0.000 1.161 221 G CA -0.355 44.461 45.100 -0.474 0.000 0.796 221 G HN 0.618 nan 8.290 nan 0.000 0.539 222 F N 0.632 120.610 119.950 0.047 0.000 2.810 222 F HA 0.193 4.720 4.527 -0.000 0.000 0.353 222 F C 1.777 177.769 175.800 0.321 0.000 1.227 222 F CA -0.576 57.493 58.000 0.115 0.000 1.210 222 F CB 0.631 39.629 39.000 -0.003 0.000 1.039 222 F HN 0.135 nan 8.300 nan 0.000 0.509 223 S N -1.226 114.743 115.700 0.449 0.000 2.527 223 S HA 0.058 4.528 4.470 -0.000 0.000 0.222 223 S C 2.080 176.935 174.600 0.424 0.000 0.985 223 S CA 0.779 59.315 58.200 0.561 0.000 0.921 223 S CB -0.266 63.230 63.200 0.494 0.000 0.772 223 S HN 0.374 nan 8.310 nan 0.000 0.529 224 G N 1.695 110.766 108.800 0.451 0.000 2.572 224 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 224 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 224 G C 1.365 176.391 174.900 0.210 0.000 1.133 224 G CA 0.171 45.555 45.100 0.473 0.000 0.791 224 G HN 0.499 nan 8.290 nan 0.000 0.538 225 N N 1.209 120.013 118.700 0.173 0.000 2.188 225 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 225 N C 2.365 177.787 175.510 -0.148 0.000 1.018 225 N CA 1.100 54.178 53.050 0.046 0.000 0.858 225 N CB -0.323 38.205 38.487 0.068 0.000 0.989 225 N HN 0.625 nan 8.380 nan 0.000 0.426 226 I N -1.591 118.843 120.570 -0.226 0.000 2.423 226 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 226 I C 1.592 177.666 176.117 -0.070 0.000 1.151 226 I CA 1.211 62.372 61.300 -0.231 0.000 1.421 226 I CB -0.868 36.998 38.000 -0.223 0.000 1.079 226 I HN -0.123 nan 8.210 nan 0.000 0.431 227 T N 1.312 115.876 114.554 0.017 0.000 2.788 227 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 227 T C 1.295 176.004 174.700 0.015 0.000 1.044 227 T CA 2.060 64.195 62.100 0.058 0.000 1.139 227 T CB -0.295 68.651 68.868 0.130 0.000 0.867 227 T HN 0.494 nan 8.240 nan 0.000 0.454 228 D N 0.058 120.448 120.400 -0.016 0.000 2.333 228 D HA 0.202 4.842 4.640 -0.000 0.000 0.208 228 D C 1.823 178.088 176.300 -0.059 0.000 0.984 228 D CA 0.265 54.242 54.000 -0.039 0.000 0.873 228 D CB 0.029 40.793 40.800 -0.059 0.000 0.935 228 D HN 0.418 nan 8.370 nan 0.000 0.521 229 I N -0.084 120.447 120.570 -0.065 0.000 2.364 229 I HA -0.045 4.124 4.170 -0.000 0.000 0.241 229 I C 1.123 177.216 176.117 -0.041 0.000 1.082 229 I CA -0.081 61.180 61.300 -0.065 0.000 1.401 229 I CB -0.207 37.752 38.000 -0.068 0.000 1.126 229 I HN -0.061 nan 8.210 nan 0.000 0.429 230 C N 5.481 124.760 119.300 -0.035 0.000 1.912 230 C HA -0.058 4.402 4.460 -0.000 0.000 0.414 230 C C -0.284 174.693 174.990 -0.022 0.000 1.545 230 C CA -1.004 58.002 59.018 -0.020 0.000 1.468 230 C CB -0.300 27.436 27.740 -0.007 0.000 2.697 230 C HN 0.309 nan 8.230 nan 0.000 0.597 231 P HA -0.042 nan 4.420 nan 0.000 0.226 231 P C 0.565 177.819 177.300 -0.076 0.000 1.153 231 P CA 1.606 64.662 63.100 -0.072 0.000 0.777 231 P CB -0.259 31.349 31.700 -0.153 0.000 0.794 232 V N -4.460 115.429 119.914 -0.042 0.000 3.271 232 V HA 0.849 4.969 4.120 -0.000 0.000 0.305 232 V C 0.866 176.988 176.094 0.046 0.000 1.303 232 V CA -0.424 61.883 62.300 0.012 0.000 1.038 232 V CB 0.358 32.217 31.823 0.060 0.000 1.197 232 V HN -0.124 nan 8.190 nan 0.000 0.478 233 G N -1.123 107.725 108.800 0.080 0.000 4.084 233 G HA2 0.553 4.513 3.960 -0.000 0.000 0.293 233 G HA3 0.553 4.513 3.960 -0.000 0.000 0.293 233 G C 0.569 175.509 174.900 0.068 0.000 1.303 233 G CA 0.594 45.742 45.100 0.080 0.000 1.289 233 G HN 1.236 nan 8.290 nan 0.000 0.609 234 A N 0.515 123.364 122.820 0.048 0.000 1.850 234 A HA 0.368 4.688 4.320 -0.000 0.000 0.212 234 A C 1.077 178.691 177.584 0.051 0.000 1.208 234 A CA 0.480 52.538 52.037 0.035 0.000 0.609 234 A CB -0.048 18.960 19.000 0.013 0.000 0.860 234 A HN 0.374 nan 8.150 nan 0.000 0.448 235 L N 1.534 122.786 121.223 0.049 0.000 2.272 235 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 235 L C -1.155 175.765 176.870 0.084 0.000 1.045 235 L CA -0.104 54.776 54.840 0.067 0.000 0.842 235 L CB 0.793 42.881 42.059 0.048 0.000 1.224 235 L HN 0.271 nan 8.230 nan 0.000 0.430 236 L N 2.064 123.350 121.223 0.106 0.000 2.354 236 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 236 L C 0.008 176.980 176.870 0.170 0.000 1.005 236 L CA -0.847 54.066 54.840 0.122 0.000 0.819 236 L CB 2.400 44.526 42.059 0.110 0.000 1.311 236 L HN 0.383 nan 8.230 nan 0.000 0.423 237 D N 2.110 122.633 120.400 0.204 0.000 2.346 237 D HA -0.024 4.616 4.640 -0.000 0.000 0.267 237 D C 0.713 177.171 176.300 0.264 0.000 1.320 237 D CA -0.031 54.161 54.000 0.320 0.000 0.951 237 D CB 1.032 41.997 40.800 0.275 0.000 1.079 237 D HN 0.292 nan 8.370 nan 0.000 0.509 238 L N 4.249 125.619 121.223 0.245 0.000 2.275 238 L HA -0.076 4.264 4.340 -0.000 0.000 0.215 238 L C 2.134 179.097 176.870 0.155 0.000 1.119 238 L CA 1.446 56.361 54.840 0.124 0.000 0.790 238 L CB -1.093 40.987 42.059 0.035 0.000 0.919 238 L HN 0.445 nan 8.230 nan 0.000 0.443 239 T N -0.975 113.776 114.554 0.328 0.000 2.929 239 T HA -0.050 4.300 4.350 -0.000 0.000 0.271 239 T C 1.132 176.005 174.700 0.288 0.000 1.085 239 T CA 1.162 63.485 62.100 0.372 0.000 1.125 239 T CB -0.099 69.173 68.868 0.674 0.000 0.874 239 T HN 0.475 nan 8.240 nan 0.000 0.494 240 A N 0.445 123.400 122.820 0.225 0.000 2.610 240 A HA 0.418 4.738 4.320 -0.000 0.000 0.290 240 A C 0.544 178.192 177.584 0.108 0.000 1.001 240 A CA -0.555 51.566 52.037 0.141 0.000 1.004 240 A CB 0.006 19.068 19.000 0.103 0.000 1.220 240 A HN 0.394 nan 8.150 nan 0.000 0.507 241 R N 0.209 120.757 120.500 0.080 0.000 2.570 241 R HA 0.215 4.555 4.340 -0.000 0.000 0.277 241 R C -0.714 175.681 176.300 0.159 0.000 1.039 241 R CA -0.103 56.023 56.100 0.044 0.000 1.065 241 R CB -0.086 30.121 30.300 -0.155 0.000 0.964 241 R HN 0.329 nan 8.270 nan 0.000 0.428 242 F N 2.794 122.741 119.950 -0.005 0.000 2.773 242 F HA -0.259 4.268 4.527 -0.000 0.000 0.251 242 F C 0.583 176.361 175.800 -0.035 0.000 1.020 242 F CA 0.605 58.591 58.000 -0.024 0.000 0.924 242 F CB -0.941 38.047 39.000 -0.019 0.000 0.919 242 F HN 0.769 nan 8.300 nan 0.000 0.846 243 R N -0.235 120.326 120.500 0.103 0.000 2.215 243 R HA 0.725 5.064 4.340 -0.000 0.000 0.190 243 R C 0.784 177.052 176.300 -0.052 0.000 0.968 243 R CA 1.035 57.147 56.100 0.020 0.000 1.122 243 R CB 0.435 30.736 30.300 0.002 0.000 1.151 243 R HN 0.338 nan 8.270 nan 0.000 0.582 244 A N 1.090 123.850 122.820 -0.100 0.000 2.601 244 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 244 A C -1.212 176.194 177.584 -0.296 0.000 1.075 244 A CA -0.859 51.063 52.037 -0.192 0.000 0.671 244 A CB 1.232 20.119 19.000 -0.188 0.000 1.277 244 A HN -0.065 nan 8.150 nan 0.000 0.417 245 R N 1.394 121.587 120.500 -0.511 0.000 2.539 245 R HA 0.228 4.568 4.340 -0.000 0.000 0.275 245 R C 0.997 176.813 176.300 -0.806 0.000 1.077 245 R CA -0.515 55.096 56.100 -0.815 0.000 1.097 245 R CB 0.008 29.361 30.300 -1.577 0.000 1.018 245 R HN 0.845 nan 8.270 nan 0.000 0.483 246 N N 1.378 119.774 118.700 -0.506 0.000 2.184 246 N HA -0.220 4.519 4.740 -0.000 0.000 0.190 246 N C 1.510 176.952 175.510 -0.112 0.000 1.011 246 N CA 2.074 55.002 53.050 -0.204 0.000 0.867 246 N CB -0.092 38.387 38.487 -0.013 0.000 0.993 246 N HN 0.685 nan 8.380 nan 0.000 0.433 247 W N 1.578 122.875 121.300 -0.005 0.000 2.518 247 W HA 0.147 4.807 4.660 -0.000 0.000 0.273 247 W C 1.594 178.106 176.519 -0.012 0.000 1.247 247 W CA 0.047 57.388 57.345 -0.007 0.000 1.288 247 W CB -0.583 28.875 29.460 -0.004 0.000 1.107 247 W HN -0.082 nan 8.180 nan 0.000 0.586 248 E N 0.995 120.967 120.200 -0.379 0.000 2.204 248 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 248 E C 1.070 177.604 176.600 -0.111 0.000 0.990 248 E CA 0.694 56.971 56.400 -0.205 0.000 0.821 248 E CB -0.280 29.209 29.700 -0.350 0.000 0.750 248 E HN 0.284 nan 8.360 nan 0.000 0.477 249 M N 1.707 121.229 119.600 -0.129 0.000 2.219 249 M HA 0.060 4.540 4.480 -0.000 0.000 0.353 249 M C 0.279 176.552 176.300 -0.045 0.000 1.304 249 M CA 0.412 55.658 55.300 -0.090 0.000 1.115 249 M CB 0.407 32.947 32.600 -0.100 0.000 1.664 249 M HN -0.052 nan 8.290 nan 0.000 0.459 250 E N 3.060 123.232 120.200 -0.046 0.000 2.289 250 E HA 0.141 4.491 4.350 -0.000 0.000 0.278 250 E C -1.029 175.544 176.600 -0.045 0.000 1.032 250 E CA -0.255 56.126 56.400 -0.032 0.000 0.854 250 E CB 0.835 30.516 29.700 -0.032 0.000 1.046 250 E HN 0.586 nan 8.360 nan 0.000 0.409 251 E N 2.995 123.176 120.200 -0.030 0.000 2.133 251 E HA 0.239 4.589 4.350 -0.000 0.000 0.274 251 E C -1.238 175.344 176.600 -0.031 0.000 0.930 251 E CA -0.534 55.845 56.400 -0.036 0.000 0.770 251 E CB 1.878 31.565 29.700 -0.022 0.000 1.104 251 E HN 0.340 nan 8.360 nan 0.000 0.403 252 T N 4.808 119.336 114.554 -0.042 0.000 2.874 252 T HA 0.277 4.627 4.350 -0.000 0.000 0.321 252 T C -2.378 172.313 174.700 -0.015 0.000 1.075 252 T CA -1.712 60.369 62.100 -0.031 0.000 0.966 252 T CB 0.636 69.477 68.868 -0.044 0.000 1.001 252 T HN 0.256 nan 8.240 nan 0.000 0.476 253 P HA 0.288 nan 4.420 nan 0.000 0.276 253 P C -0.151 177.170 177.300 0.035 0.000 1.243 253 P CA 0.163 63.272 63.100 0.016 0.000 0.768 253 P CB 1.402 33.111 31.700 0.016 0.000 0.856 254 T N 1.546 116.135 114.554 0.059 0.000 2.611 254 T HA 0.458 4.808 4.350 -0.000 0.000 0.269 254 T C -0.985 173.780 174.700 0.109 0.000 1.032 254 T CA -0.118 62.034 62.100 0.087 0.000 1.178 254 T CB 0.719 69.650 68.868 0.104 0.000 1.651 254 T HN 0.302 nan 8.240 nan 0.000 0.456 255 T N 0.716 115.360 114.554 0.150 0.000 2.907 255 T HA 0.541 4.891 4.350 -0.000 0.000 0.292 255 T C -0.957 173.881 174.700 0.230 0.000 1.043 255 T CA -0.425 61.760 62.100 0.143 0.000 1.003 255 T CB 1.259 70.185 68.868 0.097 0.000 1.084 255 T HN 0.786 nan 8.240 nan 0.000 0.483 256 C N 2.518 121.927 119.300 0.180 0.000 2.265 256 C HA 0.729 5.189 4.460 -0.000 0.000 0.332 256 C C 1.384 176.315 174.990 -0.098 0.000 1.248 256 C CA -0.380 58.760 59.018 0.203 0.000 1.727 256 C CB -1.384 26.479 27.740 0.204 0.000 2.348 256 C HN 1.003 nan 8.230 nan 0.000 0.519 257 A N 5.139 127.618 122.820 -0.569 0.000 2.387 257 A HA 0.255 4.575 4.320 -0.000 0.000 0.234 257 A C 1.504 178.686 177.584 -0.670 0.000 1.253 257 A CA 0.019 51.624 52.037 -0.719 0.000 0.894 257 A CB -0.238 18.216 19.000 -0.910 0.000 0.963 257 A HN 0.919 nan 8.150 nan 0.000 0.508 258 L N -0.064 120.854 121.223 -0.508 0.000 2.642 258 L HA -0.050 4.290 4.340 -0.000 0.000 0.236 258 L C 1.006 177.838 176.870 -0.064 0.000 1.169 258 L CA 0.552 55.278 54.840 -0.190 0.000 0.851 258 L CB -0.690 41.339 42.059 -0.050 0.000 0.968 258 L HN 0.826 nan 8.230 nan 0.000 0.453 259 C N -5.969 113.280 119.300 -0.086 0.000 3.211 259 C HA 0.285 4.745 4.460 -0.000 0.000 0.350 259 C C -2.052 172.911 174.990 -0.045 0.000 1.413 259 C CA -0.988 58.005 59.018 -0.041 0.000 1.203 259 C CB 0.612 28.326 27.740 -0.044 0.000 1.506 259 C HN -0.143 nan 8.230 nan 0.000 0.448 260 P HA -0.030 nan 4.420 nan 0.000 0.221 260 P C 1.755 179.046 177.300 -0.014 0.000 1.150 260 P CA 2.297 65.386 63.100 -0.017 0.000 0.800 260 P CB -0.090 31.607 31.700 -0.004 0.000 0.787 261 V N -2.864 117.046 119.914 -0.006 0.000 2.358 261 V HA 0.062 4.182 4.120 -0.000 0.000 0.246 261 V C 1.446 177.544 176.094 0.005 0.000 1.047 261 V CA 1.363 63.666 62.300 0.007 0.000 1.035 261 V CB -2.118 29.720 31.823 0.024 0.000 0.658 261 V HN 0.292 nan 8.190 nan 0.000 0.452 262 G N 0.235 109.033 108.800 -0.005 0.000 2.353 262 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.294 262 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.294 262 G C -0.067 174.848 174.900 0.025 0.000 1.077 262 G CA -0.081 45.018 45.100 -0.001 0.000 1.098 262 G HN 0.940 nan 8.290 nan 0.000 0.511 263 C N 0.554 119.878 119.300 0.040 0.000 2.637 263 C HA 0.606 5.066 4.460 -0.000 0.000 0.418 263 C C 1.692 176.718 174.990 0.059 0.000 1.319 263 C CA -0.008 59.040 59.018 0.050 0.000 1.949 263 C CB 0.408 28.188 27.740 0.066 0.000 2.639 263 C HN 1.145 nan 8.230 nan 0.000 0.594 264 G N 3.204 112.030 108.800 0.043 0.000 2.313 264 G HA2 0.448 4.408 3.960 -0.000 0.000 0.250 264 G HA3 0.448 4.408 3.960 -0.000 0.000 0.250 264 G C -0.317 174.610 174.900 0.046 0.000 1.281 264 G CA -0.091 45.035 45.100 0.043 0.000 0.917 264 G HN 0.890 nan 8.290 nan 0.000 0.501 265 I N -1.181 119.428 120.570 0.065 0.000 3.145 265 I HA 0.764 4.934 4.170 -0.000 0.000 0.313 265 I C -0.506 175.631 176.117 0.033 0.000 1.122 265 I CA -1.083 60.252 61.300 0.058 0.000 0.987 265 I CB 2.530 40.598 38.000 0.114 0.000 1.236 265 I HN 0.238 nan 8.210 nan 0.000 0.453 266 T N 2.262 116.817 114.554 0.002 0.000 2.812 266 T HA 0.688 5.038 4.350 -0.000 0.000 0.282 266 T C -0.473 174.189 174.700 -0.063 0.000 0.990 266 T CA -0.461 61.625 62.100 -0.023 0.000 0.960 266 T CB 1.487 70.336 68.868 -0.032 0.000 0.948 266 T HN 0.789 nan 8.240 nan 0.000 0.438 267 A N 3.391 126.161 122.820 -0.083 0.000 2.258 267 A HA 0.605 4.925 4.320 -0.000 0.000 0.316 267 A C -0.540 176.949 177.584 -0.159 0.000 1.279 267 A CA -0.774 51.162 52.037 -0.168 0.000 0.876 267 A CB 0.313 19.194 19.000 -0.197 0.000 1.170 267 A HN 0.695 nan 8.150 nan 0.000 0.520 268 D N 2.817 123.106 120.400 -0.185 0.000 2.274 268 D HA 0.505 5.145 4.640 -0.000 0.000 0.239 268 D C -0.177 176.018 176.300 -0.174 0.000 1.104 268 D CA 0.414 54.323 54.000 -0.153 0.000 0.840 268 D CB 1.575 42.293 40.800 -0.137 0.000 1.100 268 D HN 0.551 nan 8.370 nan 0.000 0.477 269 T N -0.289 114.183 114.554 -0.137 0.000 2.912 269 T HA 0.598 4.948 4.350 -0.000 0.000 0.299 269 T C -0.271 174.370 174.700 -0.098 0.000 1.052 269 T CA -1.127 60.894 62.100 -0.131 0.000 0.996 269 T CB 2.434 71.224 68.868 -0.131 0.000 1.070 269 T HN 0.295 nan 8.240 nan 0.000 0.465 270 R N 1.601 122.046 120.500 -0.092 0.000 2.507 270 R HA 0.503 4.842 4.340 -0.000 0.000 0.298 270 R C -0.776 175.488 176.300 -0.061 0.000 1.087 270 R CA -0.364 55.693 56.100 -0.072 0.000 0.917 270 R CB 0.636 30.890 30.300 -0.078 0.000 1.173 270 R HN 0.899 nan 8.270 nan 0.000 0.472 271 S N 2.555 118.225 115.700 -0.050 0.000 3.990 271 S HA -0.138 4.332 4.470 -0.000 0.000 0.346 271 S C 0.858 175.432 174.600 -0.044 0.000 1.030 271 S CA 1.097 59.273 58.200 -0.040 0.000 1.011 271 S CB -1.369 61.811 63.200 -0.033 0.000 0.863 271 S HN 1.265 nan 8.310 nan 0.000 0.485 272 G N 0.283 109.052 108.800 -0.052 0.000 2.347 272 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.247 272 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.247 272 G C -0.253 174.603 174.900 -0.073 0.000 1.037 272 G CA 0.644 45.710 45.100 -0.056 0.000 0.622 272 G HN 1.033 nan 8.290 nan 0.000 0.521 273 E N 0.861 121.016 120.200 -0.076 0.000 2.277 273 E HA 0.672 5.022 4.350 -0.000 0.000 0.274 273 E C -0.435 176.087 176.600 -0.131 0.000 1.022 273 E CA -1.219 55.127 56.400 -0.089 0.000 0.853 273 E CB 1.995 31.657 29.700 -0.063 0.000 1.086 273 E HN 0.115 nan 8.360 nan 0.000 0.397 274 L N 3.995 125.117 121.223 -0.169 0.000 2.283 274 L HA 0.058 4.398 4.340 -0.000 0.000 0.287 274 L C 0.168 176.860 176.870 -0.296 0.000 1.073 274 L CA -0.242 54.437 54.840 -0.268 0.000 0.822 274 L CB 0.610 42.460 42.059 -0.349 0.000 1.186 274 L HN 0.761 nan 8.230 nan 0.000 0.436 275 L N 4.461 125.510 121.223 -0.290 0.000 2.121 275 L HA 0.248 4.588 4.340 -0.000 0.000 0.200 275 L C 0.970 177.637 176.870 -0.339 0.000 1.077 275 L CA 1.042 55.741 54.840 -0.234 0.000 0.766 275 L CB -0.664 41.300 42.059 -0.157 0.000 0.931 275 L HN 0.711 nan 8.230 nan 0.000 0.452 276 R N -0.652 119.612 120.500 -0.393 0.000 2.594 276 R HA 0.352 4.691 4.340 -0.000 0.000 0.265 276 R C -1.774 174.351 176.300 -0.293 0.000 1.070 276 R CA -0.601 55.308 56.100 -0.319 0.000 0.909 276 R CB 1.769 32.000 30.300 -0.115 0.000 1.243 276 R HN -0.138 nan 8.270 nan 0.000 0.455 277 I N 3.738 124.185 120.570 -0.206 0.000 2.437 277 I HA 0.536 4.706 4.170 -0.000 0.000 0.298 277 I C 0.294 176.339 176.117 -0.121 0.000 0.984 277 I CA -0.596 60.617 61.300 -0.146 0.000 1.214 277 I CB 1.639 39.599 38.000 -0.067 0.000 1.365 277 I HN 0.697 nan 8.210 nan 0.000 0.469 278 R N 3.054 123.501 120.500 -0.090 0.000 2.869 278 R HA 0.819 5.159 4.340 -0.000 0.000 0.263 278 R C -0.979 175.293 176.300 -0.046 0.000 1.066 278 R CA -1.035 55.021 56.100 -0.074 0.000 0.960 278 R CB 1.662 31.924 30.300 -0.064 0.000 1.221 278 R HN 0.628 nan 8.270 nan 0.000 0.474 279 A N 1.159 123.951 122.820 -0.046 0.000 2.301 279 A HA 0.466 4.786 4.320 -0.000 0.000 0.312 279 A C -0.450 177.104 177.584 -0.050 0.000 1.182 279 A CA -0.452 51.563 52.037 -0.037 0.000 0.826 279 A CB 0.647 19.619 19.000 -0.047 0.000 1.134 279 A HN 0.617 nan 8.150 nan 0.000 0.501 280 R N 1.922 122.402 120.500 -0.032 0.000 2.295 280 R HA 0.271 4.611 4.340 -0.000 0.000 0.324 280 R C -0.122 176.150 176.300 -0.047 0.000 0.968 280 R CA -0.367 55.714 56.100 -0.033 0.000 0.837 280 R CB 0.731 31.027 30.300 -0.006 0.000 1.133 280 R HN 0.927 nan 8.270 nan 0.000 0.450 281 E N 2.871 123.031 120.200 -0.067 0.000 2.502 281 E HA -0.006 4.344 4.350 -0.000 0.000 0.261 281 E C -1.091 175.488 176.600 -0.035 0.000 0.974 281 E CA 0.241 56.597 56.400 -0.074 0.000 0.936 281 E CB 0.863 30.520 29.700 -0.071 0.000 0.926 281 E HN 0.352 nan 8.360 nan 0.000 0.459 282 V N 6.817 126.713 119.914 -0.031 0.000 3.767 282 V HA 0.173 4.293 4.120 -0.000 0.000 0.303 282 V C -2.260 173.832 176.094 -0.004 0.000 0.949 282 V CA -0.951 61.344 62.300 -0.008 0.000 1.396 282 V CB 1.410 33.234 31.823 0.000 0.000 0.768 282 V HN 0.747 nan 8.190 nan 0.000 0.486 283 P HA -0.184 nan 4.420 nan 0.000 0.217 283 P C 1.278 178.590 177.300 0.021 0.000 1.148 283 P CA 1.718 64.833 63.100 0.026 0.000 0.828 283 P CB 0.345 32.082 31.700 0.061 0.000 0.783 284 E N -0.017 120.194 120.200 0.019 0.000 2.058 284 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 284 E C 1.993 178.601 176.600 0.014 0.000 0.997 284 E CA 0.872 57.283 56.400 0.018 0.000 0.801 284 E CB -1.378 28.331 29.700 0.015 0.000 0.746 284 E HN 0.234 nan 8.360 nan 0.000 0.450 285 V N 2.343 122.264 119.914 0.011 0.000 5.409 285 V HA 0.021 4.140 4.120 -0.000 0.000 0.160 285 V C 0.329 176.430 176.094 0.013 0.000 1.399 285 V CA 0.238 62.546 62.300 0.012 0.000 1.277 285 V CB 0.108 31.940 31.823 0.015 0.000 1.731 285 V HN 0.342 nan 8.190 nan 0.000 0.376 286 N N 0.578 119.289 118.700 0.019 0.000 2.479 286 N HA 0.026 4.766 4.740 -0.000 0.000 0.257 286 N C 0.222 175.715 175.510 -0.028 0.000 1.232 286 N CA 0.277 53.344 53.050 0.029 0.000 0.920 286 N CB 1.698 40.218 38.487 0.055 0.000 1.105 286 N HN 0.659 nan 8.380 nan 0.000 0.444 287 E N 0.965 121.110 120.200 -0.091 0.000 2.033 287 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 287 E C 0.906 177.327 176.600 -0.299 0.000 0.960 287 E CA 1.023 57.288 56.400 -0.224 0.000 0.842 287 E CB 0.044 29.445 29.700 -0.499 0.000 0.816 287 E HN 0.814 nan 8.360 nan 0.000 0.468 288 I N -3.067 117.111 120.570 -0.653 0.000 3.813 288 I HA 0.375 4.545 4.170 -0.000 0.000 0.323 288 I C -1.101 174.610 176.117 -0.675 0.000 1.536 288 I CA -0.590 60.323 61.300 -0.645 0.000 1.083 288 I CB 0.128 37.676 38.000 -0.753 0.000 1.265 288 I HN 0.016 nan 8.210 nan 0.000 0.507 289 W N 1.529 122.805 121.300 -0.040 0.000 2.666 289 W HA 0.738 5.397 4.660 -0.000 0.000 0.334 289 W C -0.399 176.130 176.519 0.016 0.000 1.051 289 W CA -0.999 56.336 57.345 -0.017 0.000 1.224 289 W CB 1.875 31.328 29.460 -0.012 0.000 1.405 289 W HN -0.193 nan 8.180 nan 0.000 0.513 290 I N 2.885 123.637 120.570 0.303 0.000 2.846 290 I HA 0.332 4.502 4.170 -0.000 0.000 0.307 290 I C 0.297 176.565 176.117 0.251 0.000 1.053 290 I CA -1.491 59.923 61.300 0.190 0.000 1.050 290 I CB 1.295 39.344 38.000 0.082 0.000 1.239 290 I HN 0.655 nan 8.210 nan 0.000 0.439 291 C N 2.358 121.760 119.300 0.170 0.000 2.351 291 C HA 0.455 4.915 4.460 -0.000 0.000 0.359 291 C C 1.505 176.419 174.990 -0.126 0.000 1.193 291 C CA -0.463 58.604 59.018 0.082 0.000 2.270 291 C CB 1.276 29.009 27.740 -0.011 0.000 2.369 291 C HN 0.815 nan 8.230 nan 0.000 0.553 292 D N 1.442 121.694 120.400 -0.248 0.000 2.149 292 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 292 D C 2.250 178.221 176.300 -0.548 0.000 0.990 292 D CA 2.178 56.061 54.000 -0.195 0.000 0.839 292 D CB -0.374 40.345 40.800 -0.135 0.000 0.948 292 D HN 0.847 nan 8.370 nan 0.000 0.460 293 A N 0.752 122.922 122.820 -1.084 0.000 1.898 293 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 293 A C 2.409 179.802 177.584 -0.319 0.000 1.181 293 A CA 1.866 53.184 52.037 -1.199 0.000 0.620 293 A CB -1.035 17.292 19.000 -1.122 0.000 0.819 293 A HN 0.291 nan 8.150 nan 0.000 0.442 294 G N -0.581 108.093 108.800 -0.211 0.000 2.475 294 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 294 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 294 G C 1.692 176.629 174.900 0.061 0.000 1.125 294 G CA 1.259 46.359 45.100 -0.001 0.000 0.755 294 G HN 0.591 nan 8.290 nan 0.000 0.565 295 R N -1.557 118.900 120.500 -0.072 0.000 2.342 295 R HA 0.261 4.600 4.340 -0.000 0.000 0.204 295 R C 0.986 177.138 176.300 -0.247 0.000 0.882 295 R CA 0.012 55.992 56.100 -0.200 0.000 1.041 295 R CB 0.196 30.233 30.300 -0.438 0.000 1.188 295 R HN 0.294 nan 8.270 nan 0.000 0.598 296 F N 0.081 120.076 119.950 0.074 0.000 2.682 296 F HA 0.431 4.958 4.527 -0.000 0.000 0.308 296 F C 1.059 176.924 175.800 0.108 0.000 1.093 296 F CA -0.059 57.980 58.000 0.065 0.000 1.244 296 F CB 1.425 40.325 39.000 -0.167 0.000 1.052 296 F HN 0.044 nan 8.300 nan 0.000 0.573 297 G N -0.354 108.695 108.800 0.415 0.000 3.964 297 G HA2 0.300 4.260 3.960 -0.000 0.000 0.289 297 G HA3 0.300 4.260 3.960 -0.000 0.000 0.289 297 G C 0.068 175.289 174.900 0.536 0.000 1.176 297 G CA -0.122 45.293 45.100 0.524 0.000 1.553 297 G HN 0.512 nan 8.290 nan 0.000 0.588 298 H N -2.461 116.828 119.070 0.364 0.000 3.440 298 H HA 0.233 4.789 4.556 -0.000 0.000 0.259 298 H C 1.557 176.845 175.328 -0.067 0.000 1.120 298 H CA 0.045 56.123 56.048 0.050 0.000 1.191 298 H CB 0.136 29.831 29.762 -0.112 0.000 1.537 298 H HN 0.200 nan 8.280 nan 0.000 0.547 299 E N 1.697 121.940 120.200 0.070 0.000 2.200 299 E HA -0.234 4.116 4.350 -0.000 0.000 0.211 299 E C 1.413 178.124 176.600 0.185 0.000 1.048 299 E CA 2.022 58.522 56.400 0.166 0.000 0.851 299 E CB -0.411 29.384 29.700 0.159 0.000 0.747 299 E HN 0.868 nan 8.360 nan 0.000 0.462 300 W N -0.283 121.135 121.300 0.196 0.000 2.737 300 W HA 0.408 5.067 4.660 -0.000 0.000 0.262 300 W C 1.624 178.359 176.519 0.361 0.000 1.282 300 W CA 0.622 58.106 57.345 0.233 0.000 1.386 300 W CB -0.520 29.049 29.460 0.183 0.000 1.099 300 W HN -0.018 nan 8.180 nan 0.000 0.621 301 A N 1.794 124.030 122.820 -0.973 0.000 2.208 301 A HA -0.101 4.219 4.320 -0.000 0.000 0.209 301 A C 1.541 178.951 177.584 -0.289 0.000 1.161 301 A CA 1.519 53.042 52.037 -0.856 0.000 0.782 301 A CB -0.654 17.703 19.000 -1.071 0.000 0.816 301 A HN 0.382 nan 8.150 nan 0.000 0.477 302 D N -2.541 117.763 120.400 -0.160 0.000 2.520 302 D HA 0.054 4.694 4.640 -0.000 0.000 0.223 302 D C 1.321 177.611 176.300 -0.017 0.000 1.186 302 D CA 0.194 54.140 54.000 -0.090 0.000 0.821 302 D CB -0.013 40.726 40.800 -0.102 0.000 1.072 302 D HN 0.187 nan 8.370 nan 0.000 0.518 303 Q N 0.665 120.493 119.800 0.046 0.000 2.240 303 Q HA 0.240 4.580 4.340 -0.000 0.000 0.194 303 Q C -0.225 175.825 176.000 0.083 0.000 0.982 303 Q CA 1.008 56.860 55.803 0.081 0.000 0.842 303 Q CB 0.106 28.922 28.738 0.130 0.000 0.941 303 Q HN 0.020 nan 8.270 nan 0.000 0.516 304 N N 0.816 119.605 118.700 0.148 0.000 2.443 304 N HA 0.391 5.131 4.740 -0.000 0.000 0.269 304 N C -1.433 174.095 175.510 0.029 0.000 0.985 304 N CA -0.208 52.913 53.050 0.117 0.000 0.921 304 N CB 1.518 40.105 38.487 0.168 0.000 1.195 304 N HN 0.100 nan 8.380 nan 0.000 0.492 305 R N 1.712 122.170 120.500 -0.071 0.000 2.643 305 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 305 R C -1.336 174.913 176.300 -0.084 0.000 1.037 305 R CA -0.862 55.105 56.100 -0.222 0.000 0.894 305 R CB 1.604 31.713 30.300 -0.319 0.000 1.238 305 R HN 0.426 nan 8.270 nan 0.000 0.459 306 L N 3.848 125.031 121.223 -0.066 0.000 2.369 306 L HA 0.280 4.620 4.340 -0.000 0.000 0.279 306 L C 0.011 176.892 176.870 0.018 0.000 1.108 306 L CA 0.781 55.624 54.840 0.005 0.000 0.852 306 L CB 0.630 42.713 42.059 0.039 0.000 1.169 306 L HN 0.681 nan 8.230 nan 0.000 0.452 307 K N 2.622 123.041 120.400 0.032 0.000 2.367 307 K HA 0.183 4.503 4.320 -0.000 0.000 0.195 307 K C 0.175 176.829 176.600 0.090 0.000 1.060 307 K CA 0.654 56.973 56.287 0.053 0.000 1.022 307 K CB 0.375 32.898 32.500 0.037 0.000 0.894 307 K HN 0.815 nan 8.250 nan 0.000 0.540 308 T N -0.565 114.032 114.554 0.071 0.000 2.901 308 T HA 0.392 4.742 4.350 -0.000 0.000 0.293 308 T C -3.083 171.612 174.700 -0.007 0.000 1.084 308 T CA -2.495 59.644 62.100 0.065 0.000 1.008 308 T CB 2.366 71.259 68.868 0.042 0.000 1.170 308 T HN -0.264 nan 8.240 nan 0.000 0.509 309 P HA 0.339 nan 4.420 nan 0.000 0.276 309 P C -0.651 176.562 177.300 -0.145 0.000 1.235 309 P CA -0.424 62.510 63.100 -0.277 0.000 0.772 309 P CB 0.654 31.925 31.700 -0.715 0.000 0.871 310 L N 3.289 124.461 121.223 -0.086 0.000 2.344 310 L HA 0.687 5.027 4.340 -0.000 0.000 0.272 310 L C 0.410 177.264 176.870 -0.026 0.000 1.035 310 L CA -0.949 53.869 54.840 -0.036 0.000 0.807 310 L CB 1.973 44.030 42.059 -0.003 0.000 1.237 310 L HN 0.175 nan 8.230 nan 0.000 0.442 311 V N 2.447 122.362 119.914 0.001 0.000 3.087 311 V HA 0.447 4.567 4.120 -0.000 0.000 0.306 311 V C -0.812 175.310 176.094 0.047 0.000 1.187 311 V CA -0.740 61.579 62.300 0.031 0.000 0.999 311 V CB 2.634 34.475 31.823 0.031 0.000 1.049 311 V HN 0.822 nan 8.190 nan 0.000 0.431 312 R N 3.509 124.056 120.500 0.079 0.000 2.265 312 R HA 0.445 4.785 4.340 -0.000 0.000 0.314 312 R C -0.060 176.279 176.300 0.065 0.000 1.053 312 R CA -0.154 55.995 56.100 0.081 0.000 0.931 312 R CB 1.270 31.647 30.300 0.128 0.000 1.024 312 R HN 0.789 nan 8.270 nan 0.000 0.457 313 K N 1.356 121.784 120.400 0.046 0.000 2.758 313 K HA 0.197 4.517 4.320 -0.000 0.000 0.247 313 K C -0.317 176.301 176.600 0.030 0.000 1.155 313 K CA 0.415 56.722 56.287 0.033 0.000 1.011 313 K CB 0.534 33.049 32.500 0.025 0.000 1.633 313 K HN 0.425 nan 8.250 nan 0.000 0.438 314 E N 1.024 121.239 120.200 0.025 0.000 2.282 314 E HA 0.232 4.582 4.350 -0.000 0.000 0.247 314 E C -0.103 176.510 176.600 0.021 0.000 1.113 314 E CA 0.187 56.599 56.400 0.020 0.000 1.095 314 E CB 0.345 30.054 29.700 0.015 0.000 1.328 314 E HN 0.714 nan 8.360 nan 0.000 0.463 315 G N 3.155 111.971 108.800 0.027 0.000 2.175 315 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.265 315 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.265 315 G C 0.421 175.337 174.900 0.026 0.000 0.979 315 G CA 1.192 46.306 45.100 0.024 0.000 0.663 315 G HN 0.483 nan 8.290 nan 0.000 0.533 316 R N -1.469 119.049 120.500 0.031 0.000 2.817 316 R HA 0.822 5.162 4.340 -0.000 0.000 0.268 316 R C -0.692 175.629 176.300 0.035 0.000 1.027 316 R CA -1.310 54.808 56.100 0.030 0.000 0.928 316 R CB 0.980 31.294 30.300 0.024 0.000 1.228 316 R HN 0.053 nan 8.270 nan 0.000 0.469 317 L N 1.180 122.422 121.223 0.032 0.000 2.360 317 L HA 0.679 5.019 4.340 -0.000 0.000 0.271 317 L C 0.023 176.908 176.870 0.025 0.000 1.057 317 L CA -0.931 53.927 54.840 0.031 0.000 0.803 317 L CB 1.218 43.294 42.059 0.028 0.000 1.207 317 L HN 0.539 nan 8.230 nan 0.000 0.445 318 V N -0.317 119.610 119.914 0.021 0.000 3.159 318 V HA 0.330 4.450 4.120 -0.000 0.000 0.308 318 V C -0.248 175.853 176.094 0.011 0.000 1.190 318 V CA -1.138 61.173 62.300 0.017 0.000 1.037 318 V CB 2.308 34.142 31.823 0.018 0.000 1.060 318 V HN 0.691 nan 8.190 nan 0.000 0.437 319 E N 1.361 121.568 120.200 0.011 0.000 2.465 319 E HA 0.422 4.772 4.350 -0.000 0.000 0.260 319 E C -0.162 176.440 176.600 0.004 0.000 0.980 319 E CA 0.345 56.749 56.400 0.008 0.000 0.927 319 E CB 0.789 30.499 29.700 0.017 0.000 0.934 319 E HN 0.867 nan 8.360 nan 0.000 0.459 320 A N 3.262 126.075 122.820 -0.013 0.000 2.486 320 A HA 0.431 4.751 4.320 -0.000 0.000 0.300 320 A C -0.144 177.427 177.584 -0.023 0.000 1.048 320 A CA -0.849 51.181 52.037 -0.012 0.000 0.696 320 A CB 1.516 20.504 19.000 -0.020 0.000 1.278 320 A HN 0.491 nan 8.150 nan 0.000 0.405 321 T N 0.638 115.209 114.554 0.028 0.000 2.734 321 T HA 0.068 4.418 4.350 -0.000 0.000 0.314 321 T C 0.801 175.543 174.700 0.072 0.000 1.057 321 T CA 0.581 62.732 62.100 0.085 0.000 1.047 321 T CB 0.200 69.141 68.868 0.121 0.000 0.991 321 T HN 0.658 nan 8.240 nan 0.000 0.540 322 W N 0.344 121.689 121.300 0.075 0.000 2.525 322 W HA -0.026 4.634 4.660 -0.000 0.000 0.259 322 W C 2.236 178.828 176.519 0.122 0.000 1.253 322 W CA 0.276 57.674 57.345 0.089 0.000 1.262 322 W CB -0.109 29.386 29.460 0.058 0.000 1.122 322 W HN 0.694 nan 8.180 nan 0.000 0.607 323 E N 0.237 120.609 120.200 0.287 0.000 2.021 323 E HA -0.148 4.202 4.350 -0.000 0.000 0.189 323 E C 1.760 178.474 176.600 0.190 0.000 0.980 323 E CA 1.291 57.834 56.400 0.239 0.000 0.803 323 E CB -0.703 29.098 29.700 0.169 0.000 0.766 323 E HN 0.454 nan 8.360 nan 0.000 0.449 324 E N 0.913 121.184 120.200 0.118 0.000 2.265 324 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 324 E C 1.750 178.384 176.600 0.057 0.000 0.996 324 E CA 0.901 57.342 56.400 0.069 0.000 0.832 324 E CB -0.014 29.712 29.700 0.044 0.000 0.756 324 E HN 0.159 nan 8.360 nan 0.000 0.491 325 A N 0.441 123.301 122.820 0.065 0.000 2.095 325 A HA 0.000 4.320 4.320 -0.000 0.000 0.212 325 A C 1.721 179.391 177.584 0.143 0.000 1.162 325 A CA -0.001 52.055 52.037 0.033 0.000 0.753 325 A CB -0.231 18.689 19.000 -0.134 0.000 0.840 325 A HN 0.277 nan 8.150 nan 0.000 0.468 326 F N 0.774 120.765 119.950 0.068 0.000 2.293 326 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 326 F C 1.649 177.486 175.800 0.060 0.000 1.089 326 F CA 0.914 58.972 58.000 0.096 0.000 1.377 326 F CB -0.260 38.819 39.000 0.131 0.000 1.051 326 F HN 0.123 nan 8.300 nan 0.000 0.511 327 L N 0.019 121.166 121.223 -0.127 0.000 2.007 327 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 327 L C 2.791 179.560 176.870 -0.168 0.000 1.073 327 L CA 1.205 55.901 54.840 -0.240 0.000 0.744 327 L CB -1.413 40.585 42.059 -0.103 0.000 0.898 327 L HN 0.125 nan 8.230 nan 0.000 0.435 328 A N -0.205 122.582 122.820 -0.056 0.000 2.084 328 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 328 A C 2.186 179.782 177.584 0.021 0.000 1.161 328 A CA 1.771 53.801 52.037 -0.012 0.000 0.653 328 A CB -0.607 18.419 19.000 0.043 0.000 0.802 328 A HN 0.396 nan 8.150 nan 0.000 0.457 329 L N -1.412 119.823 121.223 0.019 0.000 2.307 329 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 329 L C 2.072 178.880 176.870 -0.104 0.000 1.099 329 L CA 1.459 56.361 54.840 0.103 0.000 0.816 329 L CB -0.167 42.008 42.059 0.192 0.000 0.952 329 L HN 0.222 nan 8.230 nan 0.000 0.455 330 K N -0.524 119.720 120.400 -0.260 0.000 2.211 330 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 330 K C 1.870 178.296 176.600 -0.290 0.000 1.050 330 K CA 1.190 57.290 56.287 -0.312 0.000 0.945 330 K CB 0.121 32.367 32.500 -0.423 0.000 0.732 330 K HN 0.266 nan 8.250 nan 0.000 0.451 331 E N 0.455 120.486 120.200 -0.282 0.000 2.006 331 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 331 E C 1.858 178.189 176.600 -0.449 0.000 0.993 331 E CA 1.793 58.020 56.400 -0.288 0.000 0.808 331 E CB -0.675 28.900 29.700 -0.209 0.000 0.764 331 E HN 0.224 nan 8.360 nan 0.000 0.449 332 G N -0.114 108.242 108.800 -0.739 0.000 2.564 332 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 332 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 332 G C 1.219 175.411 174.900 -1.179 0.000 1.124 332 G CA 1.004 45.278 45.100 -1.376 0.000 0.764 332 G HN 0.317 nan 8.290 nan 0.000 0.550 333 L N -1.134 119.632 121.223 -0.763 0.000 2.920 333 L HA 0.290 4.630 4.340 -0.000 0.000 0.257 333 L C 2.249 178.867 176.870 -0.421 0.000 1.150 333 L CA -0.029 54.461 54.840 -0.583 0.000 0.959 333 L CB 0.239 42.108 42.059 -0.317 0.000 1.321 333 L HN 0.094 nan 8.230 nan 0.000 0.555 334 K N 1.218 121.413 120.400 -0.342 0.000 2.152 334 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 334 K C 0.562 177.031 176.600 -0.217 0.000 1.048 334 K CA 1.138 57.285 56.287 -0.233 0.000 0.933 334 K CB 0.296 32.680 32.500 -0.193 0.000 0.721 334 K HN 0.175 nan 8.250 nan 0.000 0.447 335 E N 0.835 120.874 120.200 -0.269 0.000 2.368 335 E HA 0.177 4.527 4.350 -0.000 0.000 0.283 335 E C -1.081 175.370 176.600 -0.248 0.000 1.476 335 E CA -0.069 56.220 56.400 -0.186 0.000 1.786 335 E CB 0.863 30.495 29.700 -0.114 0.000 1.518 335 E HN 0.300 nan 8.360 nan 0.000 0.456 336 A N 2.091 124.744 122.820 -0.279 0.000 2.427 336 A HA 0.522 4.842 4.320 -0.000 0.000 0.298 336 A C -0.312 177.242 177.584 -0.050 0.000 1.036 336 A CA -1.071 50.811 52.037 -0.258 0.000 0.701 336 A CB 1.410 19.969 19.000 -0.735 0.000 1.250 336 A HN 0.196 nan 8.150 nan 0.000 0.412 337 R N 1.786 122.332 120.500 0.077 0.000 2.410 337 R HA 0.413 4.753 4.340 -0.000 0.000 0.288 337 R C 0.787 177.135 176.300 0.080 0.000 1.051 337 R CA -0.252 55.888 56.100 0.066 0.000 1.021 337 R CB 0.046 30.392 30.300 0.077 0.000 1.032 337 R HN 0.908 nan 8.270 nan 0.000 0.481 338 G N 0.868 109.696 108.800 0.048 0.000 2.653 338 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.212 338 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.212 338 G C 0.788 175.721 174.900 0.055 0.000 1.138 338 G CA 0.090 45.219 45.100 0.047 0.000 0.782 338 G HN 0.724 nan 8.290 nan 0.000 0.535 339 E N 0.164 120.404 120.200 0.066 0.000 2.498 339 E HA 0.032 4.382 4.350 -0.000 0.000 0.203 339 E C 0.986 177.646 176.600 0.100 0.000 1.013 339 E CA -0.025 56.399 56.400 0.041 0.000 0.927 339 E CB 0.267 29.980 29.700 0.021 0.000 1.012 339 E HN 0.287 nan 8.360 nan 0.000 0.482 340 E N 0.525 120.836 120.200 0.185 0.000 2.444 340 E HA 0.109 4.459 4.350 -0.000 0.000 0.191 340 E C 0.024 176.821 176.600 0.328 0.000 1.041 340 E CA -0.078 56.489 56.400 0.279 0.000 0.883 340 E CB 0.999 30.865 29.700 0.276 0.000 1.024 340 E HN -0.003 nan 8.360 nan 0.000 0.470 341 V N 0.596 120.669 119.914 0.265 0.000 2.465 341 V HA 0.523 4.643 4.120 -0.000 0.000 0.279 341 V C 0.722 176.912 176.094 0.161 0.000 1.045 341 V CA -0.699 61.724 62.300 0.205 0.000 0.938 341 V CB 1.592 33.492 31.823 0.129 0.000 0.986 341 V HN 0.107 nan 8.190 nan 0.000 0.467 342 G N 4.143 112.938 108.800 -0.009 0.000 2.415 342 G HA2 0.687 4.647 3.960 -0.000 0.000 0.327 342 G HA3 0.687 4.647 3.960 -0.000 0.000 0.327 342 G C -1.049 173.558 174.900 -0.488 0.000 1.182 342 G CA -0.603 44.274 45.100 -0.371 0.000 0.924 342 G HN 0.618 nan 8.290 nan 0.000 0.470 343 L N 2.481 123.371 121.223 -0.555 0.000 2.401 343 L HA 0.355 4.694 4.340 -0.000 0.000 0.263 343 L C -1.240 175.582 176.870 -0.081 0.000 1.004 343 L CA -0.623 54.112 54.840 -0.175 0.000 0.881 343 L CB 1.018 43.087 42.059 0.018 0.000 1.219 343 L HN 0.554 nan 8.230 nan 0.000 0.441 344 Y N 3.625 124.031 120.300 0.177 0.000 2.328 344 Y HA 0.552 5.102 4.550 -0.000 0.000 0.333 344 Y C 0.097 176.238 175.900 0.401 0.000 0.958 344 Y CA -0.948 57.302 58.100 0.249 0.000 1.167 344 Y CB 1.705 40.205 38.460 0.066 0.000 1.151 344 Y HN 0.361 nan 8.280 nan 0.000 0.470 345 L N 2.487 124.098 121.223 0.647 0.000 2.365 345 L HA 0.842 5.182 4.340 -0.000 0.000 0.267 345 L C 0.434 177.576 176.870 0.454 0.000 1.033 345 L CA -1.160 53.999 54.840 0.531 0.000 0.802 345 L CB 0.984 43.269 42.059 0.377 0.000 1.267 345 L HN 0.652 nan 8.230 nan 0.000 0.457 346 A N -1.040 121.959 122.820 0.298 0.000 2.246 346 A HA 0.249 4.569 4.320 -0.000 0.000 0.291 346 A C 0.832 178.407 177.584 -0.015 0.000 1.103 346 A CA 0.065 52.126 52.037 0.040 0.000 0.844 346 A CB 0.016 19.093 19.000 0.128 0.000 1.136 346 A HN 0.994 nan 8.150 nan 0.000 0.500 347 H N -1.439 117.504 119.070 -0.210 0.000 2.457 347 H HA -0.030 4.526 4.556 -0.000 0.000 0.294 347 H C 0.297 175.540 175.328 -0.142 0.000 1.064 347 H CA 1.458 57.413 56.048 -0.155 0.000 1.330 347 H CB -0.123 29.506 29.762 -0.220 0.000 1.395 347 H HN 0.606 nan 8.280 nan 0.000 0.541 348 D N 0.684 120.658 120.400 -0.711 0.000 2.491 348 D HA 0.282 4.922 4.640 -0.000 0.000 0.228 348 D C 0.366 176.517 176.300 -0.248 0.000 1.183 348 D CA -0.180 53.463 54.000 -0.595 0.000 0.827 348 D CB -0.010 40.338 40.800 -0.752 0.000 0.989 348 D HN 0.593 nan 8.370 nan 0.000 0.494 349 A N 0.732 123.460 122.820 -0.153 0.000 2.445 349 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 349 A C 0.983 178.519 177.584 -0.080 0.000 1.075 349 A CA -0.131 51.873 52.037 -0.054 0.000 0.777 349 A CB 0.037 19.042 19.000 0.008 0.000 1.013 349 A HN 0.399 nan 8.150 nan 0.000 0.493 350 T N 0.022 114.550 114.554 -0.044 0.000 2.828 350 T HA 0.275 4.625 4.350 -0.000 0.000 0.290 350 T C 0.979 175.638 174.700 -0.069 0.000 1.019 350 T CA -0.261 61.809 62.100 -0.049 0.000 1.031 350 T CB 0.457 69.304 68.868 -0.034 0.000 1.001 350 T HN 0.534 nan 8.240 nan 0.000 0.531 351 L N 0.902 122.094 121.223 -0.052 0.000 2.265 351 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 351 L C 2.289 179.105 176.870 -0.089 0.000 1.117 351 L CA 1.723 56.528 54.840 -0.059 0.000 0.782 351 L CB -0.872 41.190 42.059 0.006 0.000 0.914 351 L HN 0.810 nan 8.230 nan 0.000 0.441 352 E N -0.856 119.285 120.200 -0.097 0.000 2.102 352 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 352 E C 2.002 178.446 176.600 -0.259 0.000 0.971 352 E CA 0.824 57.121 56.400 -0.173 0.000 0.821 352 E CB -0.125 29.516 29.700 -0.097 0.000 0.777 352 E HN 0.464 nan 8.360 nan 0.000 0.460 353 E N 0.138 120.249 120.200 -0.148 0.000 2.265 353 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 353 E C 1.863 178.396 176.600 -0.111 0.000 0.996 353 E CA 0.941 57.274 56.400 -0.112 0.000 0.832 353 E CB -0.092 29.601 29.700 -0.012 0.000 0.756 353 E HN 0.343 nan 8.360 nan 0.000 0.491 354 G N 0.556 109.284 108.800 -0.121 0.000 2.595 354 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.213 354 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.213 354 G C 1.429 176.258 174.900 -0.118 0.000 1.141 354 G CA -0.121 44.925 45.100 -0.089 0.000 0.806 354 G HN 0.105 nan 8.290 nan 0.000 0.530 355 L N 0.433 121.531 121.223 -0.209 0.000 2.095 355 L HA 0.258 4.597 4.340 -0.000 0.000 0.204 355 L C 2.397 179.094 176.870 -0.289 0.000 1.080 355 L CA 1.199 55.909 54.840 -0.216 0.000 0.759 355 L CB -0.545 41.377 42.059 -0.228 0.000 0.914 355 L HN 0.158 nan 8.230 nan 0.000 0.439 356 L N 0.337 121.200 121.223 -0.600 0.000 2.017 356 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 356 L C 2.458 179.266 176.870 -0.103 0.000 1.073 356 L CA 2.172 56.738 54.840 -0.457 0.000 0.745 356 L CB -1.232 40.510 42.059 -0.528 0.000 0.894 356 L HN 0.243 nan 8.230 nan 0.000 0.432 357 A N -1.442 121.317 122.820 -0.103 0.000 2.019 357 A HA -0.200 4.119 4.320 -0.000 0.000 0.219 357 A C 2.524 180.122 177.584 0.024 0.000 1.164 357 A CA 1.777 53.802 52.037 -0.020 0.000 0.644 357 A CB -1.016 17.998 19.000 0.023 0.000 0.805 357 A HN 0.592 nan 8.150 nan 0.000 0.449 358 S N -0.754 114.956 115.700 0.018 0.000 2.371 358 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 358 S C 1.874 176.511 174.600 0.062 0.000 1.029 358 S CA 1.447 59.676 58.200 0.048 0.000 0.978 358 S CB -0.276 62.947 63.200 0.038 0.000 0.833 358 S HN 0.541 nan 8.310 nan 0.000 0.466 359 E N 1.083 121.332 120.200 0.082 0.000 2.076 359 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 359 E C 2.085 178.736 176.600 0.086 0.000 0.979 359 E CA 0.632 57.099 56.400 0.112 0.000 0.807 359 E CB -0.776 29.050 29.700 0.211 0.000 0.761 359 E HN 0.501 nan 8.360 nan 0.000 0.454 360 L N 1.039 122.308 121.223 0.077 0.000 2.042 360 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 360 L C 2.010 178.904 176.870 0.040 0.000 1.076 360 L CA 2.228 57.099 54.840 0.051 0.000 0.749 360 L CB -0.559 41.515 42.059 0.025 0.000 0.893 360 L HN 0.045 nan 8.230 nan 0.000 0.432 361 A N -1.536 121.309 122.820 0.042 0.000 2.178 361 A HA -0.044 4.276 4.320 -0.000 0.000 0.211 361 A C 2.314 179.920 177.584 0.038 0.000 1.157 361 A CA 0.998 53.059 52.037 0.039 0.000 0.780 361 A CB -0.375 18.653 19.000 0.048 0.000 0.828 361 A HN 0.501 nan 8.150 nan 0.000 0.476 362 K N -0.112 120.315 120.400 0.045 0.000 2.020 362 K HA 0.127 4.447 4.320 -0.000 0.000 0.206 362 K C 2.253 178.873 176.600 0.033 0.000 1.038 362 K CA 0.905 57.217 56.287 0.041 0.000 0.947 362 K CB -0.298 32.232 32.500 0.050 0.000 0.744 362 K HN 0.259 nan 8.250 nan 0.000 0.442 363 A N 1.611 124.452 122.820 0.036 0.000 1.859 363 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 363 A C 1.429 179.027 177.584 0.024 0.000 1.198 363 A CA 1.280 53.334 52.037 0.028 0.000 0.629 363 A CB -0.779 18.238 19.000 0.029 0.000 0.830 363 A HN 0.412 nan 8.150 nan 0.000 0.446 364 L N 1.506 122.745 121.223 0.026 0.000 2.388 364 L HA 0.130 4.470 4.340 -0.000 0.000 0.252 364 L C -0.181 176.700 176.870 0.019 0.000 1.357 364 L CA -0.049 54.805 54.840 0.023 0.000 1.214 364 L CB -1.032 41.044 42.059 0.027 0.000 1.392 364 L HN 0.204 nan 8.230 nan 0.000 0.432 365 K N 2.319 122.728 120.400 0.015 0.000 2.272 365 K HA -0.057 4.263 4.320 -0.000 0.000 0.259 365 K C 0.316 176.909 176.600 -0.011 0.000 1.280 365 K CA 0.553 56.843 56.287 0.005 0.000 1.275 365 K CB -0.495 32.009 32.500 0.005 0.000 0.800 365 K HN 0.578 nan 8.250 nan 0.000 0.484 366 T N 1.896 116.434 114.554 -0.026 0.000 2.906 366 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 366 T C -1.971 172.654 174.700 -0.125 0.000 1.061 366 T CA -1.961 60.086 62.100 -0.089 0.000 1.000 366 T CB 1.512 70.350 68.868 -0.051 0.000 1.103 366 T HN 0.284 nan 8.240 nan 0.000 0.486 367 P HA 0.166 nan 4.420 nan 0.000 0.226 367 P C -0.349 176.892 177.300 -0.099 0.000 1.160 367 P CA 0.458 63.447 63.100 -0.185 0.000 0.837 367 P CB -0.029 31.540 31.700 -0.219 0.000 0.860 368 H N 1.385 120.513 119.070 0.097 0.000 2.724 368 H HA 0.614 5.170 4.556 -0.000 0.000 0.278 368 H C 0.060 175.460 175.328 0.120 0.000 1.159 368 H CA -1.318 54.820 56.048 0.150 0.000 1.254 368 H CB -0.376 29.504 29.762 0.197 0.000 1.412 368 H HN 0.038 nan 8.280 nan 0.000 0.488 369 L N 0.495 121.887 121.223 0.282 0.000 2.438 369 L HA 0.807 5.147 4.340 -0.000 0.000 0.270 369 L C -1.618 175.485 176.870 0.389 0.000 0.972 369 L CA -0.735 54.255 54.840 0.250 0.000 0.831 369 L CB 2.433 44.584 42.059 0.155 0.000 1.273 369 L HN 0.432 nan 8.230 nan 0.000 0.405 370 D N 2.556 123.298 120.400 0.570 0.000 2.626 370 D HA 0.668 5.308 4.640 -0.000 0.000 0.278 370 D C -1.605 175.026 176.300 0.550 0.000 1.211 370 D CA -0.136 54.169 54.000 0.508 0.000 0.903 370 D CB 2.333 43.403 40.800 0.451 0.000 1.408 370 D HN 0.510 nan 8.370 nan 0.000 0.454 371 F N -0.426 119.681 119.950 0.261 0.000 2.565 371 F HA 0.427 4.954 4.527 -0.000 0.000 0.313 371 F C 1.303 176.893 175.800 -0.350 0.000 1.091 371 F CA -0.857 57.183 58.000 0.066 0.000 0.915 371 F CB 1.325 40.337 39.000 0.019 0.000 1.208 371 F HN 0.375 nan 8.300 nan 0.000 0.453 372 Q N 1.846 121.342 119.800 -0.506 0.000 2.268 372 Q HA -0.176 4.164 4.340 -0.000 0.000 0.213 372 Q C 1.469 176.436 176.000 -1.721 0.000 0.995 372 Q CA 2.481 57.485 55.803 -1.331 0.000 0.901 372 Q CB -0.392 27.506 28.738 -1.401 0.000 0.921 372 Q HN 1.152 nan 8.270 nan 0.000 0.421 373 G N -0.350 107.855 108.800 -0.992 0.000 3.192 373 G HA2 0.032 3.992 3.960 -0.000 0.000 0.239 373 G HA3 0.032 3.992 3.960 -0.000 0.000 0.239 373 G C 0.062 174.607 174.900 -0.591 0.000 1.084 373 G CA -0.541 44.070 45.100 -0.814 0.000 0.784 373 G HN 0.154 nan 8.290 nan 0.000 0.540 374 R N 2.015 121.939 120.500 -0.960 0.000 2.478 374 R HA -0.008 4.332 4.340 -0.000 0.000 0.281 374 R C -0.130 176.163 176.300 -0.013 0.000 0.939 374 R CA 1.067 56.737 56.100 -0.717 0.000 1.120 374 R CB 0.029 29.721 30.300 -1.014 0.000 0.885 374 R HN 0.228 nan 8.270 nan 0.000 0.415 375 T N 1.492 116.084 114.554 0.063 0.000 2.875 375 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 375 T C 1.414 176.189 174.700 0.125 0.000 0.995 375 T CA -0.433 61.745 62.100 0.129 0.000 1.060 375 T CB 1.938 70.886 68.868 0.134 0.000 0.967 375 T HN 0.607 nan 8.240 nan 0.000 0.476 376 A N 2.562 125.452 122.820 0.118 0.000 1.896 376 A HA 0.211 4.530 4.320 -0.000 0.000 0.220 376 A C 1.624 179.266 177.584 0.096 0.000 1.206 376 A CA 1.454 53.546 52.037 0.092 0.000 0.647 376 A CB -1.232 17.814 19.000 0.076 0.000 0.828 376 A HN 1.437 nan 8.150 nan 0.000 0.455 377 A N 0.227 123.115 122.820 0.114 0.000 2.252 377 A HA 0.588 4.907 4.320 -0.000 0.000 0.309 377 A C -2.677 175.009 177.584 0.169 0.000 1.285 377 A CA -1.746 50.367 52.037 0.125 0.000 0.900 377 A CB 0.052 19.141 19.000 0.149 0.000 1.157 377 A HN 0.204 nan 8.150 nan 0.000 0.536 378 P HA 0.090 nan 4.420 nan 0.000 0.263 378 P C 0.864 178.309 177.300 0.243 0.000 1.195 378 P CA 0.561 63.767 63.100 0.178 0.000 0.762 378 P CB 1.002 32.772 31.700 0.117 0.000 0.799 379 A N 3.177 126.162 122.820 0.276 0.000 2.070 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 379 A C 1.996 179.775 177.584 0.325 0.000 1.159 379 A CA 1.525 53.759 52.037 0.329 0.000 0.656 379 A CB -1.060 18.069 19.000 0.215 0.000 0.800 379 A HN 0.482 nan 8.150 nan 0.000 0.453 380 S N 0.041 115.859 115.700 0.197 0.000 2.555 380 S HA -0.001 4.469 4.470 -0.000 0.000 0.230 380 S C 1.633 176.192 174.600 -0.069 0.000 0.978 380 S CA 0.276 58.516 58.200 0.066 0.000 0.934 380 S CB -0.217 62.974 63.200 -0.015 0.000 0.766 380 S HN 0.438 nan 8.310 nan 0.000 0.533 381 L N 0.696 121.861 121.223 -0.095 0.000 2.013 381 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 381 L C 0.328 176.946 176.870 -0.421 0.000 1.073 381 L CA 1.721 56.315 54.840 -0.410 0.000 0.753 381 L CB -1.035 40.513 42.059 -0.851 0.000 0.890 381 L HN 0.266 nan 8.230 nan 0.000 0.432 382 F N 0.204 120.152 119.950 -0.004 0.000 2.399 382 F HA 0.371 4.897 4.527 -0.000 0.000 0.328 382 F C -1.674 174.133 175.800 0.012 0.000 1.084 382 F CA -3.044 54.963 58.000 0.013 0.000 1.053 382 F CB -0.600 38.419 39.000 0.031 0.000 1.209 382 F HN -0.058 nan 8.300 nan 0.000 0.502 383 P HA 0.180 nan 4.420 nan 0.000 0.276 383 P C -2.693 174.684 177.300 0.128 0.000 1.264 383 P CA -1.319 61.856 63.100 0.126 0.000 0.769 383 P CB 0.373 32.133 31.700 0.101 0.000 0.840 384 P HA 0.103 nan 4.420 nan 0.000 0.266 384 P C -0.364 176.971 177.300 0.059 0.000 1.195 384 P CA 0.427 63.576 63.100 0.082 0.000 0.768 384 P CB 0.424 32.172 31.700 0.080 0.000 0.838 385 A N 2.470 125.315 122.820 0.040 0.000 2.330 385 A HA 0.545 4.865 4.320 -0.000 0.000 0.327 385 A C 0.165 177.756 177.584 0.011 0.000 1.155 385 A CA -0.454 51.597 52.037 0.023 0.000 0.803 385 A CB 0.794 19.801 19.000 0.011 0.000 1.208 385 A HN 0.430 nan 8.150 nan 0.000 0.477 386 S N 1.450 117.156 115.700 0.009 0.000 2.565 386 S HA 0.310 4.780 4.470 -0.000 0.000 0.274 386 S C 1.118 175.714 174.600 -0.006 0.000 1.309 386 S CA -0.676 57.528 58.200 0.006 0.000 1.043 386 S CB 0.093 63.300 63.200 0.012 0.000 0.939 386 S HN 0.554 nan 8.310 nan 0.000 0.504 387 L N 4.119 125.339 121.223 -0.006 0.000 2.089 387 L HA -0.085 4.255 4.340 -0.000 0.000 0.213 387 L C 2.464 179.329 176.870 -0.008 0.000 1.079 387 L CA 1.979 56.811 54.840 -0.013 0.000 0.758 387 L CB -1.284 40.775 42.059 -0.001 0.000 0.891 387 L HN 0.853 nan 8.230 nan 0.000 0.433 388 E N -0.093 120.110 120.200 0.005 0.000 2.049 388 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 388 E C 1.829 178.436 176.600 0.011 0.000 1.007 388 E CA 1.805 58.213 56.400 0.014 0.000 0.809 388 E CB -0.104 29.605 29.700 0.015 0.000 0.749 388 E HN 0.457 nan 8.360 nan 0.000 0.450 389 D N -0.106 120.295 120.400 0.001 0.000 2.158 389 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 389 D C 1.944 178.228 176.300 -0.027 0.000 0.995 389 D CA 0.898 54.896 54.000 -0.004 0.000 0.846 389 D CB -0.401 40.395 40.800 -0.007 0.000 0.941 389 D HN 0.199 nan 8.370 nan 0.000 0.456 390 L N 0.634 121.814 121.223 -0.070 0.000 2.046 390 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 390 L C 2.176 178.963 176.870 -0.137 0.000 1.077 390 L CA 1.379 56.102 54.840 -0.195 0.000 0.747 390 L CB -0.524 41.406 42.059 -0.216 0.000 0.896 390 L HN 0.032 nan 8.230 nan 0.000 0.432 391 L N -1.030 120.222 121.223 0.049 0.000 2.141 391 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 391 L C 2.449 179.474 176.870 0.259 0.000 1.094 391 L CA 1.184 56.163 54.840 0.232 0.000 0.763 391 L CB -0.523 41.613 42.059 0.129 0.000 0.908 391 L HN 0.449 nan 8.230 nan 0.000 0.437 392 Q N -0.211 119.672 119.800 0.137 0.000 2.432 392 Q HA 0.139 4.479 4.340 -0.000 0.000 0.205 392 Q C 0.982 177.060 176.000 0.131 0.000 0.945 392 Q CA 0.214 56.082 55.803 0.107 0.000 0.924 392 Q CB 0.208 28.978 28.738 0.054 0.000 1.016 392 Q HN 0.437 nan 8.270 nan 0.000 0.503 393 A N 1.478 124.395 122.820 0.161 0.000 2.346 393 A HA 0.008 4.328 4.320 -0.000 0.000 0.255 393 A C 0.333 178.094 177.584 0.294 0.000 1.113 393 A CA 0.008 52.135 52.037 0.150 0.000 0.798 393 A CB 0.324 19.332 19.000 0.013 0.000 1.073 393 A HN 0.056 nan 8.150 nan 0.000 0.502 394 D N -1.399 119.124 120.400 0.205 0.000 2.566 394 D HA 0.176 4.816 4.640 -0.000 0.000 0.253 394 D C -0.332 176.164 176.300 0.326 0.000 0.992 394 D CA 0.961 55.081 54.000 0.200 0.000 0.940 394 D CB 0.082 40.941 40.800 0.099 0.000 1.095 394 D HN 0.369 nan 8.370 nan 0.000 0.480 395 F N 0.709 120.731 119.950 0.119 0.000 2.546 395 F HA 0.589 5.116 4.527 -0.000 0.000 0.320 395 F C -1.246 174.651 175.800 0.160 0.000 1.076 395 F CA -1.316 56.776 58.000 0.152 0.000 0.928 395 F CB 1.878 40.912 39.000 0.057 0.000 1.189 395 F HN -0.163 nan 8.300 nan 0.000 0.465 396 A N 5.872 128.322 122.820 -0.618 0.000 2.360 396 A HA 0.593 4.913 4.320 -0.000 0.000 0.309 396 A C -1.935 175.411 177.584 -0.397 0.000 1.311 396 A CA -0.532 51.270 52.037 -0.392 0.000 0.805 396 A CB 0.374 19.183 19.000 -0.319 0.000 1.144 396 A HN 0.654 nan 8.150 nan 0.000 0.486 397 L N 4.171 125.432 121.223 0.063 0.000 2.261 397 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 397 L C -0.833 176.083 176.870 0.077 0.000 1.059 397 L CA 0.025 54.992 54.840 0.210 0.000 0.816 397 L CB 1.145 43.505 42.059 0.501 0.000 1.191 397 L HN 0.366 nan 8.230 nan 0.000 0.431 398 V N 6.471 126.391 119.914 0.010 0.000 2.531 398 V HA 0.501 4.621 4.120 -0.000 0.000 0.301 398 V C -0.781 175.341 176.094 0.048 0.000 1.034 398 V CA -0.575 61.721 62.300 -0.007 0.000 0.865 398 V CB 1.742 33.526 31.823 -0.065 0.000 0.995 398 V HN 0.469 nan 8.190 nan 0.000 0.424 399 L N 4.595 125.857 121.223 0.066 0.000 2.377 399 L HA 0.977 5.317 4.340 -0.000 0.000 0.270 399 L C 0.409 177.334 176.870 0.091 0.000 0.991 399 L CA 0.256 55.170 54.840 0.123 0.000 0.851 399 L CB 1.216 43.338 42.059 0.105 0.000 1.218 399 L HN 1.009 nan 8.230 nan 0.000 0.420 400 G N 1.467 110.330 108.800 0.106 0.000 2.355 400 G HA2 0.134 4.094 3.960 -0.000 0.000 0.619 400 G HA3 0.134 4.094 3.960 -0.000 0.000 0.619 400 G C -1.832 173.079 174.900 0.018 0.000 1.337 400 G CA -0.981 44.169 45.100 0.083 0.000 0.993 400 G HN 0.391 nan 8.290 nan 0.000 0.599 401 D N 0.830 121.243 120.400 0.023 0.000 2.473 401 D HA 0.586 5.226 4.640 -0.000 0.000 0.226 401 D C -0.983 175.330 176.300 0.022 0.000 1.089 401 D CA -2.166 51.825 54.000 -0.016 0.000 0.883 401 D CB 1.755 42.550 40.800 -0.008 0.000 1.029 401 D HN -0.011 nan 8.370 nan 0.000 0.517 402 P HA -0.182 nan 4.420 nan 0.000 0.218 402 P C 1.262 178.622 177.300 0.100 0.000 1.152 402 P CA 1.387 64.504 63.100 0.029 0.000 0.857 402 P CB 0.234 31.929 31.700 -0.009 0.000 0.787 403 T N -0.544 114.092 114.554 0.136 0.000 2.685 403 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 403 T C 1.460 176.222 174.700 0.103 0.000 1.034 403 T CA 1.500 63.740 62.100 0.235 0.000 1.149 403 T CB -0.463 68.535 68.868 0.216 0.000 0.860 403 T HN 0.275 nan 8.240 nan 0.000 0.449 404 E N 0.318 120.560 120.200 0.071 0.000 2.244 404 E HA 0.079 4.429 4.350 -0.000 0.000 0.196 404 E C 2.296 178.893 176.600 -0.004 0.000 0.939 404 E CA 0.395 56.810 56.400 0.024 0.000 0.884 404 E CB 0.017 29.760 29.700 0.073 0.000 0.850 404 E HN 0.611 nan 8.360 nan 0.000 0.481 405 E N 1.210 121.420 120.200 0.016 0.000 2.014 405 E HA 0.072 4.422 4.350 -0.000 0.000 0.190 405 E C 0.608 177.207 176.600 -0.002 0.000 0.980 405 E CA 0.797 57.195 56.400 -0.003 0.000 0.807 405 E CB 0.218 29.924 29.700 0.008 0.000 0.770 405 E HN 0.007 nan 8.360 nan 0.000 0.451 406 A N 1.524 124.357 122.820 0.023 0.000 2.978 406 A HA 0.328 4.648 4.320 -0.000 0.000 0.341 406 A C -2.178 175.459 177.584 0.088 0.000 1.105 406 A CA -1.291 50.766 52.037 0.034 0.000 0.819 406 A CB 0.470 19.482 19.000 0.020 0.000 1.080 406 A HN -0.076 nan 8.150 nan 0.000 0.476 407 P HA -0.222 nan 4.420 nan 0.000 0.216 407 P C 1.393 178.930 177.300 0.395 0.000 1.157 407 P CA 1.048 64.317 63.100 0.281 0.000 0.880 407 P CB 0.196 31.997 31.700 0.168 0.000 0.791 408 I N -1.343 119.368 120.570 0.236 0.000 2.423 408 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 408 I C 2.121 178.273 176.117 0.058 0.000 1.151 408 I CA 1.070 62.438 61.300 0.114 0.000 1.421 408 I CB -1.111 36.951 38.000 0.103 0.000 1.079 408 I HN -0.093 nan 8.210 nan 0.000 0.431 409 L N -0.906 120.365 121.223 0.079 0.000 2.187 409 L HA -0.299 4.040 4.340 -0.000 0.000 0.213 409 L C 2.451 179.359 176.870 0.063 0.000 1.100 409 L CA 1.505 56.372 54.840 0.045 0.000 0.765 409 L CB -0.868 41.203 42.059 0.021 0.000 0.904 409 L HN 0.395 nan 8.230 nan 0.000 0.437 410 H N 0.330 119.398 119.070 -0.003 0.000 2.353 410 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 410 H C 2.179 177.461 175.328 -0.077 0.000 1.103 410 H CA 1.599 57.631 56.048 -0.027 0.000 1.293 410 H CB 0.175 29.956 29.762 0.031 0.000 1.372 410 H HN 0.248 nan 8.280 nan 0.000 0.501 411 L N -0.356 120.863 121.223 -0.006 0.000 2.418 411 L HA 0.011 4.351 4.340 -0.000 0.000 0.218 411 L C 2.061 178.936 176.870 0.008 0.000 1.125 411 L CA 0.200 54.983 54.840 -0.096 0.000 0.835 411 L CB -0.061 41.802 42.059 -0.327 0.000 0.953 411 L HN 0.219 nan 8.230 nan 0.000 0.454 412 R N 0.228 120.749 120.500 0.035 0.000 2.210 412 R HA 0.117 4.457 4.340 -0.000 0.000 0.203 412 R C 2.051 178.405 176.300 0.090 0.000 1.010 412 R CA 0.655 56.784 56.100 0.048 0.000 1.008 412 R CB -0.458 29.853 30.300 0.019 0.000 0.923 412 R HN 0.349 nan 8.270 nan 0.000 0.469 413 L N 0.264 121.551 121.223 0.106 0.000 2.240 413 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 413 L C 2.355 179.369 176.870 0.240 0.000 1.106 413 L CA 0.825 55.782 54.840 0.195 0.000 0.793 413 L CB -0.314 41.828 42.059 0.137 0.000 0.927 413 L HN 0.120 nan 8.230 nan 0.000 0.446 414 S N -0.215 115.617 115.700 0.220 0.000 2.402 414 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 414 S C 1.806 176.314 174.600 -0.154 0.000 1.021 414 S CA 1.276 59.440 58.200 -0.061 0.000 0.974 414 S CB -0.002 63.260 63.200 0.103 0.000 0.800 414 S HN 0.448 nan 8.310 nan 0.000 0.484 415 E N -0.587 119.608 120.200 -0.008 0.000 2.122 415 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 415 E C 1.715 178.328 176.600 0.022 0.000 0.977 415 E CA 0.813 57.214 56.400 0.002 0.000 0.820 415 E CB -0.233 29.500 29.700 0.056 0.000 0.770 415 E HN 0.681 nan 8.360 nan 0.000 0.462 416 F N 1.518 121.425 119.950 -0.071 0.000 2.146 416 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 416 F C 2.094 177.836 175.800 -0.096 0.000 1.096 416 F CA 0.834 58.795 58.000 -0.065 0.000 1.275 416 F CB -0.267 38.705 39.000 -0.047 0.000 1.008 416 F HN -0.246 nan 8.300 nan 0.000 0.480 417 V N 1.113 120.897 119.914 -0.217 0.000 2.392 417 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 417 V C 2.361 178.235 176.094 -0.368 0.000 1.059 417 V CA 2.193 64.278 62.300 -0.358 0.000 1.051 417 V CB -0.589 31.024 31.823 -0.351 0.000 0.658 417 V HN 0.303 nan 8.190 nan 0.000 0.455 418 R N -0.965 119.352 120.500 -0.305 0.000 2.313 418 R HA 0.010 4.350 4.340 -0.000 0.000 0.199 418 R C 0.934 177.122 176.300 -0.186 0.000 0.958 418 R CA 0.620 56.577 56.100 -0.238 0.000 1.047 418 R CB -0.076 30.107 30.300 -0.197 0.000 0.955 418 R HN 0.485 nan 8.270 nan 0.000 0.481 419 D N -0.848 119.416 120.400 -0.226 0.000 2.946 419 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 419 D C -0.671 175.572 176.300 -0.095 0.000 1.068 419 D CA 0.663 54.552 54.000 -0.185 0.000 1.011 419 D CB -0.719 39.990 40.800 -0.152 0.000 1.105 419 D HN 0.126 nan 8.370 nan 0.000 0.425 420 L N -0.059 121.124 121.223 -0.066 0.000 2.543 420 L HA 0.098 4.438 4.340 -0.000 0.000 0.285 420 L C 0.871 177.747 176.870 0.009 0.000 1.236 420 L CA 0.978 55.810 54.840 -0.014 0.000 0.871 420 L CB 0.341 42.408 42.059 0.013 0.000 1.121 420 L HN -0.015 nan 8.230 nan 0.000 0.501 421 K N 2.815 123.220 120.400 0.008 0.000 2.435 421 K HA 0.430 4.750 4.320 -0.000 0.000 0.251 421 K C -2.479 174.117 176.600 -0.008 0.000 0.954 421 K CA -1.847 54.445 56.287 0.009 0.000 0.820 421 K CB 1.674 34.171 32.500 -0.005 0.000 1.292 421 K HN 0.236 nan 8.250 nan 0.000 0.436 422 P HA -0.068 nan 4.420 nan 0.000 0.255 422 P C -2.260 174.988 177.300 -0.087 0.000 1.161 422 P CA -0.373 62.719 63.100 -0.013 0.000 0.768 422 P CB -0.341 31.352 31.700 -0.011 0.000 0.746 423 P HA 0.034 nan 4.420 nan 0.000 0.271 423 P C -0.145 177.066 177.300 -0.147 0.000 1.244 423 P CA 0.095 63.139 63.100 -0.095 0.000 0.793 423 P CB 0.590 32.313 31.700 0.039 0.000 0.984 424 H N 0.440 119.543 119.070 0.056 0.000 2.607 424 H HA 0.257 4.813 4.556 -0.000 0.000 0.367 424 H C 0.680 175.989 175.328 -0.032 0.000 1.181 424 H CA 0.161 56.179 56.048 -0.051 0.000 1.402 424 H CB 0.819 30.466 29.762 -0.192 0.000 1.474 424 H HN 0.247 nan 8.280 nan 0.000 0.596 425 R N 2.215 122.719 120.500 0.007 0.000 2.265 425 R HA 0.184 4.523 4.340 -0.000 0.000 0.328 425 R C -0.670 175.577 176.300 -0.090 0.000 0.969 425 R CA -0.482 55.633 56.100 0.024 0.000 0.832 425 R CB 0.481 30.798 30.300 0.029 0.000 1.139 425 R HN 0.464 nan 8.270 nan 0.000 0.457 426 Y N 1.084 121.308 120.300 -0.128 0.000 2.378 426 Y HA 0.081 4.631 4.550 -0.000 0.000 0.351 426 Y C 1.729 177.684 175.900 0.093 0.000 1.351 426 Y CA -0.564 57.472 58.100 -0.107 0.000 1.616 426 Y CB 0.352 38.681 38.460 -0.218 0.000 1.622 426 Y HN 0.472 nan 8.280 nan 0.000 0.568 427 N N -0.132 118.946 118.700 0.631 0.000 2.244 427 N HA -0.157 4.582 4.740 -0.000 0.000 0.183 427 N C 1.152 176.834 175.510 0.287 0.000 1.016 427 N CA 1.325 54.606 53.050 0.384 0.000 0.866 427 N CB -0.280 38.357 38.487 0.251 0.000 0.980 427 N HN 0.638 nan 8.380 nan 0.000 0.430 428 H N -1.556 117.633 119.070 0.199 0.000 2.538 428 H HA 0.389 4.945 4.556 -0.000 0.000 0.286 428 H C 1.137 176.535 175.328 0.117 0.000 1.035 428 H CA 0.502 56.608 56.048 0.096 0.000 1.169 428 H CB -0.565 29.172 29.762 -0.042 0.000 1.417 428 H HN 0.134 nan 8.280 nan 0.000 0.567 429 G N 1.178 109.925 108.800 -0.088 0.000 2.498 429 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 429 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 429 G C -0.271 174.566 174.900 -0.105 0.000 1.170 429 G CA -0.093 44.978 45.100 -0.049 0.000 0.944 429 G HN 0.518 nan 8.290 nan 0.000 0.567 430 T N 5.148 119.676 114.554 -0.042 0.000 2.905 430 T HA 0.420 4.770 4.350 -0.000 0.000 0.299 430 T C -1.715 172.929 174.700 -0.094 0.000 1.024 430 T CA 0.551 62.615 62.100 -0.060 0.000 1.151 430 T CB 0.860 69.664 68.868 -0.106 0.000 0.987 430 T HN 0.637 nan 8.240 nan 0.000 0.535 431 P HA 0.022 nan 4.420 nan 0.000 0.266 431 P C 0.228 177.588 177.300 0.100 0.000 1.193 431 P CA -0.136 62.877 63.100 -0.144 0.000 0.770 431 P CB 0.471 32.099 31.700 -0.120 0.000 0.836 432 F N 1.172 121.025 119.950 -0.162 0.000 2.387 432 F HA 0.210 4.737 4.527 -0.000 0.000 0.294 432 F C 1.575 177.325 175.800 -0.083 0.000 1.093 432 F CA 0.391 58.310 58.000 -0.134 0.000 1.420 432 F CB -0.482 38.419 39.000 -0.166 0.000 1.086 432 F HN 0.294 nan 8.300 nan 0.000 0.531 433 A N 0.132 123.029 122.820 0.128 0.000 2.943 433 A HA 0.317 4.637 4.320 -0.000 0.000 0.327 433 A C -1.034 176.581 177.584 0.051 0.000 1.141 433 A CA -0.506 51.579 52.037 0.081 0.000 0.773 433 A CB -0.273 18.785 19.000 0.096 0.000 1.143 433 A HN -0.056 nan 8.150 nan 0.000 0.463 434 D N 2.546 122.971 120.400 0.042 0.000 2.344 434 D HA 0.113 4.753 4.640 -0.000 0.000 0.253 434 D C 1.068 177.407 176.300 0.066 0.000 1.255 434 D CA -0.354 53.680 54.000 0.057 0.000 0.894 434 D CB 0.637 41.467 40.800 0.049 0.000 1.067 434 D HN 0.301 nan 8.370 nan 0.000 0.492 435 L N 3.527 124.795 121.223 0.074 0.000 2.353 435 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 435 L C 2.031 178.935 176.870 0.057 0.000 1.133 435 L CA 1.267 56.146 54.840 0.065 0.000 0.798 435 L CB -0.733 41.367 42.059 0.068 0.000 0.922 435 L HN 0.664 nan 8.230 nan 0.000 0.445 436 Q N 0.257 120.094 119.800 0.061 0.000 2.167 436 Q HA -0.131 4.208 4.340 -0.000 0.000 0.202 436 Q C 0.627 176.649 176.000 0.036 0.000 0.970 436 Q CA 0.659 56.490 55.803 0.047 0.000 0.855 436 Q CB 0.126 28.892 28.738 0.048 0.000 0.911 436 Q HN 0.433 nan 8.270 nan 0.000 0.438 437 I N 3.010 123.608 120.570 0.046 0.000 2.308 437 I HA 0.129 4.299 4.170 -0.000 0.000 0.293 437 I C -0.210 175.928 176.117 0.036 0.000 1.078 437 I CA -0.363 60.963 61.300 0.043 0.000 1.292 437 I CB 0.658 38.700 38.000 0.069 0.000 1.423 437 I HN -0.134 nan 8.210 nan 0.000 0.493 438 K N 5.695 126.106 120.400 0.019 0.000 2.118 438 K HA 0.298 4.618 4.320 -0.000 0.000 0.267 438 K C -0.142 176.467 176.600 0.015 0.000 0.991 438 K CA -0.622 55.675 56.287 0.017 0.000 0.916 438 K CB 1.486 33.989 32.500 0.005 0.000 1.041 438 K HN 0.557 nan 8.250 nan 0.000 0.455 439 E N 1.514 121.729 120.200 0.024 0.000 2.316 439 E HA 0.033 4.383 4.350 -0.000 0.000 0.275 439 E C -0.477 176.129 176.600 0.011 0.000 1.029 439 E CA -0.103 56.313 56.400 0.027 0.000 0.871 439 E CB 0.365 30.091 29.700 0.042 0.000 1.022 439 E HN 0.450 nan 8.360 nan 0.000 0.418 440 R N 2.586 123.087 120.500 0.002 0.000 3.654 440 R HA -0.159 4.181 4.340 -0.000 0.000 0.302 440 R C -0.457 175.824 176.300 -0.032 0.000 1.166 440 R CA 0.610 56.703 56.100 -0.011 0.000 0.810 440 R CB -1.866 28.435 30.300 0.002 0.000 1.323 440 R HN 0.727 nan 8.270 nan 0.000 0.478 441 M N 1.658 121.230 119.600 -0.047 0.000 2.246 441 M HA 0.065 4.545 4.480 -0.000 0.000 0.327 441 M C -1.217 175.026 176.300 -0.095 0.000 1.090 441 M CA -0.515 54.744 55.300 -0.068 0.000 1.087 441 M CB 0.065 32.614 32.600 -0.084 0.000 1.587 441 M HN 0.013 nan 8.290 nan 0.000 0.444 442 P HA 0.152 nan 4.420 nan 0.000 0.271 442 P C -1.323 175.880 177.300 -0.161 0.000 1.218 442 P CA 0.065 63.103 63.100 -0.104 0.000 0.780 442 P CB 0.530 32.183 31.700 -0.078 0.000 0.901 443 R N 2.488 122.875 120.500 -0.189 0.000 2.445 443 R HA 0.419 4.759 4.340 -0.000 0.000 0.308 443 R C 0.298 176.481 176.300 -0.195 0.000 0.961 443 R CA -0.815 55.115 56.100 -0.283 0.000 0.862 443 R CB 1.801 31.833 30.300 -0.446 0.000 1.144 443 R HN 0.446 nan 8.270 nan 0.000 0.447 444 R N 1.329 121.708 120.500 -0.202 0.000 2.216 444 R HA 0.072 4.412 4.340 -0.000 0.000 0.332 444 R C 0.864 177.117 176.300 -0.079 0.000 1.056 444 R CA -0.011 56.010 56.100 -0.132 0.000 0.901 444 R CB 0.886 31.091 30.300 -0.158 0.000 1.039 444 R HN 0.723 nan 8.270 nan 0.000 0.456 445 T N -2.414 112.125 114.554 -0.025 0.000 3.129 445 T HA -0.058 4.292 4.350 -0.000 0.000 0.251 445 T C 0.930 175.661 174.700 0.050 0.000 1.117 445 T CA 0.284 62.398 62.100 0.023 0.000 1.034 445 T CB 0.033 68.920 68.868 0.032 0.000 0.968 445 T HN 0.588 nan 8.240 nan 0.000 0.526 446 D N 0.636 121.063 120.400 0.045 0.000 2.360 446 D HA 0.042 4.682 4.640 -0.000 0.000 0.210 446 D C 1.597 178.004 176.300 0.178 0.000 1.047 446 D CA -0.016 54.048 54.000 0.107 0.000 0.854 446 D CB 0.008 40.852 40.800 0.073 0.000 0.936 446 D HN 0.296 nan 8.370 nan 0.000 0.514 447 K N -0.245 120.197 120.400 0.071 0.000 2.361 447 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 447 K C 0.969 177.495 176.600 -0.123 0.000 1.039 447 K CA 0.116 56.423 56.287 0.034 0.000 1.001 447 K CB 0.417 32.801 32.500 -0.195 0.000 0.795 447 K HN 0.245 nan 8.250 nan 0.000 0.495 448 M N -1.205 118.299 119.600 -0.161 0.000 2.618 448 M HA 0.539 5.019 4.480 -0.000 0.000 0.281 448 M C -2.145 174.013 176.300 -0.237 0.000 1.267 448 M CA -0.748 54.301 55.300 -0.419 0.000 0.845 448 M CB 2.417 34.940 32.600 -0.129 0.000 1.732 448 M HN -0.152 nan 8.290 nan 0.000 0.461 449 A N 2.958 125.617 122.820 -0.269 0.000 2.427 449 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 449 A C -2.039 175.371 177.584 -0.289 0.000 1.036 449 A CA -0.694 51.250 52.037 -0.154 0.000 0.701 449 A CB 1.883 20.925 19.000 0.070 0.000 1.250 449 A HN 0.778 nan 8.150 nan 0.000 0.412 450 L N 2.296 123.279 121.223 -0.401 0.000 2.346 450 L HA 0.788 5.128 4.340 -0.000 0.000 0.276 450 L C -1.870 174.708 176.870 -0.486 0.000 1.006 450 L CA -0.428 54.220 54.840 -0.321 0.000 0.817 450 L CB 1.384 43.333 42.059 -0.184 0.000 1.272 450 L HN 0.676 nan 8.230 nan 0.000 0.421 451 F N 3.113 123.088 119.950 0.042 0.000 2.579 451 F HA 0.727 5.254 4.527 -0.000 0.000 0.325 451 F C 0.101 176.011 175.800 0.183 0.000 1.162 451 F CA -0.693 57.359 58.000 0.086 0.000 0.946 451 F CB 1.974 40.964 39.000 -0.017 0.000 1.211 451 F HN 0.517 nan 8.300 nan 0.000 0.447 452 A N 4.272 127.366 122.820 0.456 0.000 2.574 452 A HA 0.716 5.036 4.320 -0.000 0.000 0.297 452 A C -2.459 175.045 177.584 -0.135 0.000 1.062 452 A CA -1.424 50.723 52.037 0.183 0.000 0.686 452 A CB 1.731 20.643 19.000 -0.147 0.000 1.285 452 A HN 0.343 nan 8.150 nan 0.000 0.403 453 P HA -0.024 nan 4.420 nan 0.000 0.234 453 P C -0.382 177.110 177.300 0.319 0.000 1.162 453 P CA 1.648 64.644 63.100 -0.174 0.000 0.759 453 P CB -0.741 30.879 31.700 -0.133 0.000 0.813 454 Y N -4.301 116.010 120.300 0.017 0.000 2.788 454 Y HA 0.438 4.988 4.550 -0.000 0.000 0.335 454 Y C 0.007 175.958 175.900 0.084 0.000 1.287 454 Y CA -1.859 56.304 58.100 0.105 0.000 1.068 454 Y CB 0.537 39.101 38.460 0.174 0.000 1.340 454 Y HN -0.469 nan 8.280 nan 0.000 0.449 455 R N 2.213 122.785 120.500 0.118 0.000 2.824 455 R HA 0.433 4.773 4.340 -0.000 0.000 0.240 455 R C -0.541 175.683 176.300 -0.127 0.000 1.548 455 R CA 0.503 56.606 56.100 0.005 0.000 1.119 455 R CB -0.648 29.679 30.300 0.045 0.000 1.189 455 R HN 0.790 nan 8.270 nan 0.000 0.596 456 A N 5.853 128.475 122.820 -0.330 0.000 2.462 456 A HA 0.246 4.566 4.320 -0.000 0.000 0.243 456 A C -1.514 175.940 177.584 -0.217 0.000 1.076 456 A CA -1.319 50.486 52.037 -0.387 0.000 0.773 456 A CB 0.357 19.104 19.000 -0.423 0.000 1.010 456 A HN 0.507 nan 8.150 nan 0.000 0.493 457 P HA -0.238 nan 4.420 nan 0.000 0.212 457 P C 1.057 178.145 177.300 -0.352 0.000 1.128 457 P CA 1.625 64.620 63.100 -0.175 0.000 0.961 457 P CB -0.136 31.525 31.700 -0.066 0.000 0.782 458 L N -2.422 118.535 121.223 -0.443 0.000 2.633 458 L HA 0.012 4.352 4.340 -0.000 0.000 0.235 458 L C 2.496 179.131 176.870 -0.392 0.000 1.163 458 L CA 1.075 55.545 54.840 -0.616 0.000 0.859 458 L CB -1.136 40.587 42.059 -0.558 0.000 0.973 458 L HN -0.022 nan 8.230 nan 0.000 0.451 459 M N -0.620 118.798 119.600 -0.302 0.000 2.446 459 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 459 M C 2.148 178.265 176.300 -0.306 0.000 1.066 459 M CA 1.225 56.379 55.300 -0.243 0.000 1.087 459 M CB 0.094 32.592 32.600 -0.171 0.000 1.406 459 M HN 0.101 nan 8.290 nan 0.000 0.459 460 K N 0.110 120.318 120.400 -0.320 0.000 2.002 460 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 460 K C 0.827 177.386 176.600 -0.068 0.000 1.048 460 K CA 1.485 57.624 56.287 -0.246 0.000 0.930 460 K CB -0.254 32.076 32.500 -0.283 0.000 0.714 460 K HN 0.414 nan 8.250 nan 0.000 0.438 461 W N 0.812 122.028 121.300 -0.141 0.000 3.446 461 W HA 0.361 5.021 4.660 -0.000 0.000 0.298 461 W C -0.418 176.033 176.519 -0.114 0.000 1.299 461 W CA -0.411 56.864 57.345 -0.117 0.000 1.686 461 W CB -1.464 27.932 29.460 -0.106 0.000 1.046 461 W HN 0.008 nan 8.180 nan 0.000 0.746 462 A N -0.186 122.647 122.820 0.022 0.000 2.332 462 A HA 0.717 5.037 4.320 -0.000 0.000 0.300 462 A C 0.911 178.483 177.584 -0.020 0.000 1.153 462 A CA 0.056 52.085 52.037 -0.013 0.000 0.764 462 A CB 1.078 20.038 19.000 -0.066 0.000 1.174 462 A HN 0.053 nan 8.150 nan 0.000 0.467 463 A N 3.293 126.148 122.820 0.058 0.000 1.828 463 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 463 A C 1.059 178.779 177.584 0.226 0.000 1.203 463 A CA 1.036 53.143 52.037 0.117 0.000 0.614 463 A CB -0.531 18.537 19.000 0.113 0.000 0.844 463 A HN 0.857 nan 8.150 nan 0.000 0.445 464 I N 2.734 123.400 120.570 0.160 0.000 2.577 464 I HA 0.087 4.257 4.170 -0.000 0.000 0.299 464 I C -0.099 176.018 176.117 0.000 0.000 1.157 464 I CA 0.622 61.989 61.300 0.113 0.000 1.418 464 I CB -1.837 36.246 38.000 0.139 0.000 1.467 464 I HN 0.550 nan 8.210 nan 0.000 0.624 465 H N 3.903 122.903 119.070 -0.116 0.000 2.679 465 H HA 0.747 5.303 4.556 -0.000 0.000 0.360 465 H C -1.454 173.880 175.328 0.010 0.000 1.105 465 H CA -1.088 54.854 56.048 -0.176 0.000 1.196 465 H CB 2.615 32.310 29.762 -0.111 0.000 1.636 465 H HN 0.567 nan 8.280 nan 0.000 0.531 466 E N 2.976 123.219 120.200 0.071 0.000 2.291 466 E HA 0.361 4.711 4.350 -0.000 0.000 0.276 466 E C -1.564 175.231 176.600 0.325 0.000 0.896 466 E CA -0.788 55.737 56.400 0.209 0.000 0.774 466 E CB 2.330 32.247 29.700 0.360 0.000 1.227 466 E HN 0.435 nan 8.360 nan 0.000 0.413 467 V N 5.867 125.892 119.914 0.186 0.000 2.370 467 V HA 0.195 4.315 4.120 -0.000 0.000 0.257 467 V C 0.141 176.344 176.094 0.182 0.000 1.064 467 V CA -0.052 62.356 62.300 0.180 0.000 0.975 467 V CB -0.911 30.986 31.823 0.124 0.000 1.067 467 V HN 0.699 nan 8.190 nan 0.000 0.485 468 H N 4.390 123.528 119.070 0.113 0.000 2.497 468 H HA 0.808 5.364 4.556 -0.000 0.000 0.331 468 H C 0.220 175.612 175.328 0.106 0.000 1.457 468 H CA -1.245 54.844 56.048 0.068 0.000 1.459 468 H CB 0.776 30.544 29.762 0.011 0.000 1.728 468 H HN 0.557 nan 8.280 nan 0.000 0.691 469 R N -0.799 119.741 120.500 0.065 0.000 2.758 469 R HA 0.460 4.799 4.340 -0.000 0.000 0.265 469 R C -2.893 173.400 176.300 -0.012 0.000 1.016 469 R CA -2.242 53.886 56.100 0.046 0.000 1.040 469 R CB 0.211 30.619 30.300 0.180 0.000 1.152 469 R HN 0.374 nan 8.270 nan 0.000 0.503 470 P HA -0.085 nan 4.420 nan 0.000 0.267 470 P C 0.183 177.416 177.300 -0.110 0.000 1.195 470 P CA 1.045 63.951 63.100 -0.324 0.000 0.773 470 P CB 0.224 31.658 31.700 -0.443 0.000 0.837 471 G N 1.661 110.425 108.800 -0.061 0.000 2.385 471 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.284 471 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.284 471 G C 0.550 175.468 174.900 0.031 0.000 0.899 471 G CA 0.831 45.946 45.100 0.024 0.000 1.204 471 G HN 0.723 nan 8.290 nan 0.000 0.486 472 E N -0.879 119.364 120.200 0.072 0.000 2.606 472 E HA 0.043 4.393 4.350 -0.000 0.000 0.224 472 E C 2.150 178.698 176.600 -0.087 0.000 0.930 472 E CA 0.400 56.818 56.400 0.029 0.000 1.125 472 E CB 0.129 29.901 29.700 0.119 0.000 1.123 472 E HN 0.578 nan 8.360 nan 0.000 0.522 473 E N 2.046 122.175 120.200 -0.119 0.000 2.118 473 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 473 E C 1.868 178.379 176.600 -0.148 0.000 0.992 473 E CA 1.253 57.517 56.400 -0.226 0.000 0.804 473 E CB -0.569 29.052 29.700 -0.132 0.000 0.741 473 E HN 0.364 nan 8.360 nan 0.000 0.458 474 R N 1.446 121.900 120.500 -0.076 0.000 2.140 474 R HA -0.223 4.117 4.340 -0.000 0.000 0.250 474 R C 1.908 178.160 176.300 -0.080 0.000 1.150 474 R CA 2.074 58.140 56.100 -0.056 0.000 0.966 474 R CB -0.646 29.637 30.300 -0.028 0.000 0.869 474 R HN 0.293 nan 8.270 nan 0.000 0.445 475 E N 0.571 120.712 120.200 -0.098 0.000 2.086 475 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 475 E C 2.140 178.646 176.600 -0.156 0.000 0.975 475 E CA 0.908 57.245 56.400 -0.105 0.000 0.813 475 E CB -0.113 29.535 29.700 -0.088 0.000 0.768 475 E HN 0.255 nan 8.360 nan 0.000 0.457 476 I N 1.054 121.484 120.570 -0.233 0.000 2.194 476 I HA -0.295 3.875 4.170 -0.000 0.000 0.246 476 I C 2.130 178.088 176.117 -0.265 0.000 1.093 476 I CA 1.150 62.249 61.300 -0.336 0.000 1.355 476 I CB -0.236 37.417 38.000 -0.579 0.000 1.046 476 I HN 0.056 nan 8.210 nan 0.000 0.413 477 L N -0.595 120.503 121.223 -0.209 0.000 2.141 477 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 477 L C 2.339 179.132 176.870 -0.127 0.000 1.094 477 L CA 1.421 56.165 54.840 -0.160 0.000 0.763 477 L CB -0.635 41.356 42.059 -0.114 0.000 0.908 477 L HN 0.243 nan 8.230 nan 0.000 0.437 478 L N -0.889 120.270 121.223 -0.107 0.000 2.017 478 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 478 L C 2.632 179.452 176.870 -0.084 0.000 1.073 478 L CA 1.453 56.245 54.840 -0.080 0.000 0.745 478 L CB -0.321 41.698 42.059 -0.067 0.000 0.894 478 L HN 0.277 nan 8.230 nan 0.000 0.432 479 A N -0.014 122.745 122.820 -0.103 0.000 1.883 479 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 479 A C 2.164 179.695 177.584 -0.088 0.000 1.186 479 A CA 1.904 53.885 52.037 -0.093 0.000 0.624 479 A CB -0.914 18.017 19.000 -0.116 0.000 0.822 479 A HN 0.506 nan 8.150 nan 0.000 0.444 480 L N -0.966 120.186 121.223 -0.120 0.000 2.131 480 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 480 L C 2.590 179.391 176.870 -0.115 0.000 1.092 480 L CA 0.909 55.672 54.840 -0.129 0.000 0.759 480 L CB -0.557 41.380 42.059 -0.203 0.000 0.903 480 L HN 0.387 nan 8.230 nan 0.000 0.435 481 L N -0.288 120.875 121.223 -0.100 0.000 1.989 481 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 481 L C 1.312 178.165 176.870 -0.029 0.000 1.071 481 L CA 1.550 56.354 54.840 -0.061 0.000 0.749 481 L CB -0.446 41.584 42.059 -0.049 0.000 0.890 481 L HN 0.500 nan 8.230 nan 0.000 0.431 482 G N -1.314 107.467 108.800 -0.031 0.000 2.244 482 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.163 482 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.163 482 G C -0.202 174.688 174.900 -0.016 0.000 1.064 482 G CA -0.096 44.994 45.100 -0.017 0.000 0.757 482 G HN 0.274 nan 8.290 nan 0.000 0.484 483 D N -0.330 120.055 120.400 -0.025 0.000 2.503 483 D HA 0.221 4.861 4.640 -0.000 0.000 0.218 483 D C 1.048 177.333 176.300 -0.026 0.000 1.183 483 D CA 0.327 54.313 54.000 -0.022 0.000 0.827 483 D CB 1.140 41.927 40.800 -0.022 0.000 1.034 483 D HN 0.279 nan 8.370 nan 0.000 0.510 484 K N 0.321 120.702 120.400 -0.031 0.000 2.228 484 K HA 0.318 4.637 4.320 -0.000 0.000 0.261 484 K C -1.210 175.370 176.600 -0.033 0.000 0.941 484 K CA -0.485 55.782 56.287 -0.033 0.000 0.792 484 K CB 2.024 34.499 32.500 -0.043 0.000 1.495 484 K HN -0.133 nan 8.250 nan 0.000 0.387 485 E N 0.571 120.750 120.200 -0.035 0.000 2.235 485 E HA 0.441 4.791 4.350 -0.000 0.000 0.252 485 E C -0.663 175.911 176.600 -0.043 0.000 0.886 485 E CA -0.457 55.923 56.400 -0.032 0.000 0.767 485 E CB 1.099 30.785 29.700 -0.023 0.000 1.205 485 E HN 0.680 nan 8.360 nan 0.000 0.421 486 G N 2.036 110.806 108.800 -0.050 0.000 2.522 486 G HA2 0.296 4.255 3.960 -0.000 0.000 0.304 486 G HA3 0.296 4.255 3.960 -0.000 0.000 0.304 486 G C 0.213 175.089 174.900 -0.039 0.000 1.210 486 G CA -0.237 44.823 45.100 -0.067 0.000 0.960 486 G HN 0.583 nan 8.290 nan 0.000 0.497 487 S N -0.866 114.811 115.700 -0.039 0.000 2.611 487 S HA 0.007 4.477 4.470 -0.000 0.000 0.252 487 S C 1.196 175.804 174.600 0.012 0.000 1.369 487 S CA 0.737 58.931 58.200 -0.010 0.000 0.975 487 S CB 0.511 63.710 63.200 -0.001 0.000 0.937 487 S HN 0.692 nan 8.310 nan 0.000 0.584 488 E N 0.067 120.279 120.200 0.019 0.000 2.049 488 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 488 E C 2.186 178.820 176.600 0.057 0.000 1.007 488 E CA 1.572 57.989 56.400 0.029 0.000 0.809 488 E CB -0.284 29.429 29.700 0.022 0.000 0.749 488 E HN 0.559 nan 8.360 nan 0.000 0.450 489 M N 0.506 120.152 119.600 0.077 0.000 2.106 489 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 489 M C 2.453 178.889 176.300 0.226 0.000 1.068 489 M CA 1.196 56.580 55.300 0.140 0.000 1.100 489 M CB -0.775 31.920 32.600 0.159 0.000 1.351 489 M HN 0.040 nan 8.290 nan 0.000 0.404 490 V N -0.146 119.878 119.914 0.184 0.000 2.970 490 V HA -0.131 3.989 4.120 -0.000 0.000 0.260 490 V C 2.550 178.696 176.094 0.085 0.000 1.100 490 V CA 1.350 63.733 62.300 0.138 0.000 1.122 490 V CB -1.366 30.403 31.823 -0.089 0.000 0.721 490 V HN 0.447 nan 8.190 nan 0.000 0.483 491 A N 0.352 123.211 122.820 0.065 0.000 1.878 491 A HA -0.081 4.239 4.320 -0.000 0.000 0.213 491 A C 2.267 179.885 177.584 0.057 0.000 1.192 491 A CA 1.133 53.197 52.037 0.045 0.000 0.619 491 A CB -0.289 18.727 19.000 0.027 0.000 0.837 491 A HN 0.478 nan 8.150 nan 0.000 0.446 492 K N 0.207 120.650 120.400 0.071 0.000 2.152 492 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 492 K C 2.129 178.774 176.600 0.074 0.000 1.048 492 K CA 1.170 57.496 56.287 0.066 0.000 0.933 492 K CB -0.289 32.258 32.500 0.078 0.000 0.721 492 K HN 0.437 nan 8.250 nan 0.000 0.447 493 A N 1.804 124.704 122.820 0.134 0.000 1.898 493 A HA -0.146 4.173 4.320 -0.000 0.000 0.214 493 A C 2.078 179.733 177.584 0.118 0.000 1.183 493 A CA 1.264 53.410 52.037 0.180 0.000 0.622 493 A CB -0.283 18.929 19.000 0.353 0.000 0.824 493 A HN 0.203 nan 8.150 nan 0.000 0.444 494 K N -0.012 120.445 120.400 0.094 0.000 2.009 494 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 494 K C 2.044 178.683 176.600 0.066 0.000 1.049 494 K CA 1.847 58.173 56.287 0.067 0.000 0.929 494 K CB -0.227 32.293 32.500 0.033 0.000 0.714 494 K HN 0.586 nan 8.250 nan 0.000 0.440 495 E N -0.358 119.859 120.200 0.028 0.000 2.153 495 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 495 E C 1.626 178.190 176.600 -0.060 0.000 0.988 495 E CA 0.979 57.379 56.400 0.000 0.000 0.811 495 E CB -0.054 29.645 29.700 -0.001 0.000 0.746 495 E HN 0.459 nan 8.360 nan 0.000 0.466 496 A N 1.376 124.110 122.820 -0.143 0.000 1.874 496 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 496 A C 1.980 179.244 177.584 -0.533 0.000 1.189 496 A CA 0.932 52.725 52.037 -0.406 0.000 0.615 496 A CB -1.115 17.495 19.000 -0.649 0.000 0.830 496 A HN 0.690 nan 8.150 nan 0.000 0.443 497 W N 1.355 122.322 121.300 -0.555 0.000 2.402 497 W HA -0.109 4.551 4.660 -0.000 0.000 0.286 497 W C 1.551 177.992 176.519 -0.131 0.000 1.221 497 W CA 1.767 58.949 57.345 -0.272 0.000 1.257 497 W CB -0.114 29.311 29.460 -0.058 0.000 1.120 497 W HN 0.407 nan 8.180 nan 0.000 0.551 498 E N 0.766 121.037 120.200 0.120 0.000 2.013 498 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 498 E C 1.883 178.453 176.600 -0.050 0.000 1.018 498 E CA 1.687 58.124 56.400 0.061 0.000 0.834 498 E CB -0.799 28.928 29.700 0.045 0.000 0.770 498 E HN 0.324 nan 8.360 nan 0.000 0.459 499 K N 0.695 121.046 120.400 -0.081 0.000 2.515 499 K HA 0.082 4.402 4.320 -0.000 0.000 0.196 499 K C 0.733 177.264 176.600 -0.116 0.000 1.038 499 K CA 0.204 56.440 56.287 -0.084 0.000 0.967 499 K CB 0.003 32.461 32.500 -0.070 0.000 0.780 499 K HN 0.013 nan 8.250 nan 0.000 0.483 500 A N 1.774 124.481 122.820 -0.190 0.000 2.520 500 A HA 0.016 4.336 4.320 -0.000 0.000 0.245 500 A C 0.516 177.987 177.584 -0.189 0.000 1.072 500 A CA -0.011 51.903 52.037 -0.205 0.000 0.761 500 A CB 0.363 19.158 19.000 -0.342 0.000 1.004 500 A HN 0.115 nan 8.150 nan 0.000 0.499 501 K N 1.283 121.615 120.400 -0.113 0.000 2.168 501 K HA 0.136 4.456 4.320 -0.000 0.000 0.201 501 K C 0.205 176.749 176.600 -0.094 0.000 1.049 501 K CA 0.852 57.089 56.287 -0.083 0.000 0.974 501 K CB 0.338 32.814 32.500 -0.040 0.000 0.792 501 K HN 0.533 nan 8.250 nan 0.000 0.463 502 N N 0.696 119.340 118.700 -0.094 0.000 2.785 502 N HA 0.168 4.907 4.740 -0.000 0.000 0.224 502 N C -2.975 172.476 175.510 -0.099 0.000 1.448 502 N CA -0.894 52.100 53.050 -0.092 0.000 0.748 502 N CB 1.740 40.206 38.487 -0.036 0.000 1.385 502 N HN 0.003 nan 8.380 nan 0.000 0.538 503 P HA 0.388 nan 4.420 nan 0.000 0.279 503 P C -0.526 176.684 177.300 -0.150 0.000 1.276 503 P CA -0.390 62.578 63.100 -0.220 0.000 0.801 503 P CB 1.967 33.289 31.700 -0.630 0.000 1.127 504 V N 0.708 120.616 119.914 -0.009 0.000 2.841 504 V HA 0.305 4.424 4.120 -0.000 0.000 0.310 504 V C -0.275 175.956 176.094 0.228 0.000 1.090 504 V CA -0.792 61.554 62.300 0.076 0.000 0.930 504 V CB 2.069 33.872 31.823 -0.033 0.000 1.014 504 V HN 0.399 nan 8.190 nan 0.000 0.425 505 L N 5.293 126.665 121.223 0.250 0.000 2.307 505 L HA 0.694 5.034 4.340 -0.000 0.000 0.284 505 L C -0.718 176.165 176.870 0.022 0.000 1.023 505 L CA 0.206 55.164 54.840 0.198 0.000 0.810 505 L CB 1.113 43.285 42.059 0.189 0.000 1.231 505 L HN 0.531 nan 8.230 nan 0.000 0.423 506 I N 6.338 126.901 120.570 -0.011 0.000 2.465 506 I HA 0.564 4.734 4.170 -0.000 0.000 0.291 506 I C -1.310 174.769 176.117 -0.063 0.000 1.014 506 I CA -0.852 60.413 61.300 -0.059 0.000 1.093 506 I CB 1.796 39.759 38.000 -0.061 0.000 1.267 506 I HN 0.458 nan 8.210 nan 0.000 0.431 507 L N 3.301 124.467 121.223 -0.094 0.000 2.612 507 L HA 0.862 5.202 4.340 -0.000 0.000 0.256 507 L C -0.153 176.676 176.870 -0.069 0.000 0.949 507 L CA -0.340 54.454 54.840 -0.076 0.000 0.867 507 L CB 1.230 43.218 42.059 -0.118 0.000 1.417 507 L HN 0.606 nan 8.230 nan 0.000 0.414 508 G N -0.210 108.582 108.800 -0.013 0.000 2.482 508 G HA2 0.569 4.529 3.960 -0.000 0.000 0.184 508 G HA3 0.569 4.529 3.960 -0.000 0.000 0.184 508 G C 0.580 175.502 174.900 0.036 0.000 1.331 508 G CA 0.780 45.883 45.100 0.005 0.000 0.668 508 G HN 0.930 nan 8.290 nan 0.000 0.631 509 A N 0.623 123.487 122.820 0.073 0.000 2.109 509 A HA 0.481 4.801 4.320 -0.000 0.000 0.220 509 A C 2.571 180.231 177.584 0.126 0.000 1.613 509 A CA 1.829 53.925 52.037 0.099 0.000 0.620 509 A CB -1.255 17.830 19.000 0.142 0.000 1.212 509 A HN 0.897 nan 8.150 nan 0.000 0.508 510 G N -0.587 108.318 108.800 0.175 0.000 2.469 510 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 510 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 510 G C 1.439 176.401 174.900 0.103 0.000 1.136 510 G CA 1.435 46.629 45.100 0.157 0.000 0.759 510 G HN 0.310 nan 8.290 nan 0.000 0.562 511 V N 0.163 120.126 119.914 0.082 0.000 2.295 511 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 511 V C 2.594 178.741 176.094 0.089 0.000 1.049 511 V CA 1.309 63.645 62.300 0.060 0.000 1.024 511 V CB -0.245 31.590 31.823 0.021 0.000 0.648 511 V HN 0.287 nan 8.190 nan 0.000 0.447 512 L N -0.801 120.474 121.223 0.087 0.000 2.558 512 L HA 0.094 4.434 4.340 -0.000 0.000 0.225 512 L C 1.960 178.903 176.870 0.122 0.000 1.128 512 L CA 1.281 56.192 54.840 0.119 0.000 0.868 512 L CB -0.272 41.841 42.059 0.090 0.000 1.006 512 L HN 0.304 nan 8.230 nan 0.000 0.454 513 Q N -0.991 118.874 119.800 0.109 0.000 2.319 513 Q HA 0.071 4.411 4.340 -0.000 0.000 0.209 513 Q C -0.375 175.682 176.000 0.094 0.000 0.884 513 Q CA 0.119 55.986 55.803 0.107 0.000 0.938 513 Q CB 0.476 29.282 28.738 0.113 0.000 1.098 513 Q HN 0.357 nan 8.270 nan 0.000 0.517 514 D N -1.602 118.851 120.400 0.088 0.000 2.454 514 D HA 0.189 4.828 4.640 -0.000 0.000 0.247 514 D C 0.317 176.654 176.300 0.062 0.000 1.129 514 D CA -0.115 53.925 54.000 0.068 0.000 0.877 514 D CB 1.186 42.023 40.800 0.062 0.000 1.082 514 D HN -0.133 nan 8.370 nan 0.000 0.537 515 T N 2.060 116.645 114.554 0.052 0.000 2.685 515 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 515 T C 1.862 176.582 174.700 0.035 0.000 1.034 515 T CA 1.767 63.894 62.100 0.045 0.000 1.149 515 T CB -0.041 68.846 68.868 0.032 0.000 0.860 515 T HN 0.366 nan 8.240 nan 0.000 0.449 516 V N 1.724 121.653 119.914 0.025 0.000 2.214 516 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 516 V C 2.807 178.909 176.094 0.014 0.000 1.051 516 V CA 2.094 64.401 62.300 0.013 0.000 1.003 516 V CB -1.488 30.338 31.823 0.005 0.000 0.635 516 V HN 0.579 nan 8.190 nan 0.000 0.447 517 A N 0.205 123.034 122.820 0.016 0.000 1.849 517 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 517 A C 2.462 180.075 177.584 0.049 0.000 1.202 517 A CA 2.959 55.004 52.037 0.012 0.000 0.629 517 A CB -1.332 17.673 19.000 0.008 0.000 0.834 517 A HN 0.755 nan 8.150 nan 0.000 0.447 518 A N -0.662 122.212 122.820 0.090 0.000 1.997 518 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 518 A C 1.956 179.630 177.584 0.150 0.000 1.172 518 A CA 2.579 54.725 52.037 0.182 0.000 0.645 518 A CB -0.527 18.597 19.000 0.206 0.000 0.813 518 A HN 0.645 nan 8.150 nan 0.000 0.454 519 E N 0.152 120.388 120.200 0.061 0.000 2.072 519 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 519 E C 2.126 178.735 176.600 0.015 0.000 0.982 519 E CA 1.427 57.834 56.400 0.012 0.000 0.803 519 E CB -0.290 29.409 29.700 -0.002 0.000 0.755 519 E HN 0.646 nan 8.360 nan 0.000 0.453 520 R N 0.350 120.860 120.500 0.017 0.000 2.096 520 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 520 R C 2.444 178.754 176.300 0.016 0.000 1.127 520 R CA 1.118 57.219 56.100 0.001 0.000 0.968 520 R CB -0.576 29.711 30.300 -0.021 0.000 0.861 520 R HN 0.215 nan 8.270 nan 0.000 0.440 521 A N 1.844 124.700 122.820 0.060 0.000 1.859 521 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 521 A C 2.175 179.881 177.584 0.203 0.000 1.198 521 A CA 1.644 53.747 52.037 0.110 0.000 0.629 521 A CB -0.642 18.471 19.000 0.188 0.000 0.830 521 A HN 0.227 nan 8.150 nan 0.000 0.446 522 R N -0.513 120.156 120.500 0.281 0.000 2.193 522 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 522 R C 2.009 178.357 176.300 0.081 0.000 1.110 522 R CA 1.187 57.388 56.100 0.168 0.000 0.988 522 R CB -0.369 29.774 30.300 -0.261 0.000 0.871 522 R HN 0.623 nan 8.270 nan 0.000 0.458 523 L N 0.452 121.705 121.223 0.049 0.000 2.007 523 L HA -0.189 4.151 4.340 -0.000 0.000 0.205 523 L C 2.362 179.267 176.870 0.059 0.000 1.073 523 L CA 0.888 55.748 54.840 0.034 0.000 0.744 523 L CB -0.425 41.640 42.059 0.011 0.000 0.898 523 L HN 0.229 nan 8.230 nan 0.000 0.435 524 L N 0.673 121.915 121.223 0.031 0.000 2.021 524 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 524 L C 2.357 179.330 176.870 0.171 0.000 1.074 524 L CA 2.371 57.221 54.840 0.017 0.000 0.760 524 L CB -0.852 41.098 42.059 -0.182 0.000 0.889 524 L HN 0.256 nan 8.230 nan 0.000 0.433 525 A N -2.010 120.926 122.820 0.193 0.000 2.238 525 A HA -0.027 4.293 4.320 -0.000 0.000 0.208 525 A C 2.091 179.818 177.584 0.239 0.000 1.177 525 A CA 0.816 53.052 52.037 0.332 0.000 0.804 525 A CB -0.425 18.769 19.000 0.324 0.000 0.823 525 A HN 0.618 nan 8.150 nan 0.000 0.482 526 E N -0.267 120.031 120.200 0.164 0.000 2.075 526 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 526 E C 2.166 178.831 176.600 0.109 0.000 0.969 526 E CA 0.275 56.741 56.400 0.111 0.000 0.815 526 E CB -0.020 29.718 29.700 0.063 0.000 0.776 526 E HN 0.541 nan 8.360 nan 0.000 0.457 527 R N 1.266 121.837 120.500 0.118 0.000 2.097 527 R HA -0.086 4.254 4.340 -0.000 0.000 0.236 527 R C 1.376 177.751 176.300 0.125 0.000 1.135 527 R CA 1.029 57.194 56.100 0.109 0.000 0.934 527 R CB -0.236 30.131 30.300 0.112 0.000 0.846 527 R HN -0.122 nan 8.270 nan 0.000 0.431 528 K N 1.098 121.614 120.400 0.193 0.000 2.276 528 K HA 0.095 4.415 4.320 -0.000 0.000 0.285 528 K C -0.247 176.429 176.600 0.126 0.000 1.062 528 K CA -0.145 56.231 56.287 0.150 0.000 0.918 528 K CB 1.352 33.962 32.500 0.184 0.000 1.055 528 K HN 0.203 nan 8.250 nan 0.000 0.477 529 G N 3.126 111.964 108.800 0.063 0.000 2.789 529 G HA2 0.307 4.267 3.960 -0.000 0.000 0.281 529 G HA3 0.307 4.267 3.960 -0.000 0.000 0.281 529 G C -0.438 174.491 174.900 0.048 0.000 0.708 529 G CA -0.152 44.982 45.100 0.057 0.000 2.067 529 G HN 0.626 nan 8.290 nan 0.000 0.554 530 A N 2.296 125.174 122.820 0.097 0.000 2.401 530 A HA 0.785 5.105 4.320 -0.000 0.000 0.310 530 A C 0.160 177.829 177.584 0.141 0.000 1.075 530 A CA -0.898 51.195 52.037 0.092 0.000 0.746 530 A CB 1.814 20.859 19.000 0.075 0.000 1.277 530 A HN 0.471 nan 8.150 nan 0.000 0.425 531 K N 0.220 120.681 120.400 0.103 0.000 2.109 531 K HA 0.692 5.012 4.320 -0.000 0.000 0.243 531 K C -0.806 175.859 176.600 0.109 0.000 1.006 531 K CA -0.628 55.722 56.287 0.105 0.000 0.917 531 K CB 1.392 33.932 32.500 0.066 0.000 1.081 531 K HN 0.387 nan 8.250 nan 0.000 0.468 532 V N 1.560 121.527 119.914 0.088 0.000 2.823 532 V HA 0.350 4.470 4.120 -0.000 0.000 0.312 532 V C -0.617 175.460 176.094 -0.029 0.000 1.072 532 V CA -0.976 61.334 62.300 0.016 0.000 0.937 532 V CB 1.770 33.559 31.823 -0.056 0.000 1.013 532 V HN 0.532 nan 8.190 nan 0.000 0.430 533 L N 3.357 124.536 121.223 -0.073 0.000 2.301 533 L HA 0.631 4.971 4.340 -0.000 0.000 0.278 533 L C 0.361 177.162 176.870 -0.115 0.000 1.022 533 L CA -0.515 54.282 54.840 -0.070 0.000 0.854 533 L CB 1.447 43.472 42.059 -0.058 0.000 1.226 533 L HN 0.798 nan 8.230 nan 0.000 0.429 534 A N 5.229 127.981 122.820 -0.113 0.000 2.415 534 A HA 0.449 4.769 4.320 -0.000 0.000 0.309 534 A C 0.574 178.130 177.584 -0.047 0.000 1.356 534 A CA -0.398 51.563 52.037 -0.125 0.000 0.998 534 A CB -0.065 18.876 19.000 -0.098 0.000 1.145 534 A HN 0.802 nan 8.150 nan 0.000 0.545 535 M N 3.675 123.249 119.600 -0.044 0.000 3.709 535 M HA 0.041 4.521 4.480 -0.000 0.000 0.197 535 M C 0.855 177.153 176.300 -0.004 0.000 1.511 535 M CA 0.001 55.290 55.300 -0.017 0.000 1.688 535 M CB -1.153 31.439 32.600 -0.013 0.000 1.109 535 M HN 0.760 nan 8.290 nan 0.000 0.561 536 T N -1.030 113.530 114.554 0.011 0.000 2.905 536 T HA 0.062 4.412 4.350 -0.000 0.000 0.299 536 T C -1.405 173.300 174.700 0.008 0.000 1.024 536 T CA -1.189 60.930 62.100 0.032 0.000 1.151 536 T CB 0.204 69.113 68.868 0.068 0.000 0.987 536 T HN 0.352 nan 8.240 nan 0.000 0.535 537 P HA 0.128 nan 4.420 nan 0.000 0.234 537 P C 0.219 177.462 177.300 -0.095 0.000 1.167 537 P CA 0.297 63.351 63.100 -0.077 0.000 0.763 537 P CB -0.037 31.602 31.700 -0.102 0.000 0.835 538 A N -0.259 122.564 122.820 0.005 0.000 2.276 538 A HA 0.618 4.937 4.320 -0.000 0.000 0.316 538 A C 1.504 179.144 177.584 0.093 0.000 1.229 538 A CA -0.066 52.025 52.037 0.090 0.000 0.851 538 A CB 1.013 20.163 19.000 0.249 0.000 1.165 538 A HN 0.079 nan 8.150 nan 0.000 0.513 539 A N 2.579 125.498 122.820 0.166 0.000 1.841 539 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 539 A C 1.645 179.179 177.584 -0.084 0.000 1.199 539 A CA 2.052 54.086 52.037 -0.004 0.000 0.621 539 A CB -0.540 18.374 19.000 -0.144 0.000 0.835 539 A HN 0.787 nan 8.150 nan 0.000 0.445 540 N N 0.172 118.778 118.700 -0.157 0.000 2.413 540 N HA 0.251 4.991 4.740 -0.000 0.000 0.207 540 N C 1.188 176.568 175.510 -0.216 0.000 1.206 540 N CA 0.786 53.731 53.050 -0.174 0.000 0.832 540 N CB -0.371 37.993 38.487 -0.206 0.000 1.037 540 N HN 0.389 nan 8.380 nan 0.000 0.467 541 A N 0.922 123.661 122.820 -0.136 0.000 1.859 541 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 541 A C 2.198 179.745 177.584 -0.063 0.000 1.209 541 A CA 1.805 53.789 52.037 -0.088 0.000 0.639 541 A CB -0.649 18.419 19.000 0.114 0.000 0.835 541 A HN 0.409 nan 8.150 nan 0.000 0.450 542 R N -0.196 120.314 120.500 0.016 0.000 2.159 542 R HA -0.067 4.272 4.340 -0.000 0.000 0.237 542 R C 1.934 178.261 176.300 0.045 0.000 1.131 542 R CA 1.855 58.003 56.100 0.081 0.000 0.982 542 R CB -0.850 29.504 30.300 0.090 0.000 0.868 542 R HN 0.488 nan 8.270 nan 0.000 0.453 543 G N -0.629 108.134 108.800 -0.061 0.000 2.486 543 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.210 543 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.210 543 G C 1.354 176.149 174.900 -0.175 0.000 1.168 543 G CA 0.153 45.190 45.100 -0.105 0.000 0.820 543 G HN 0.241 nan 8.290 nan 0.000 0.544 544 L N 0.496 121.546 121.223 -0.288 0.000 2.012 544 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 544 L C 2.878 179.626 176.870 -0.203 0.000 1.073 544 L CA 1.462 56.080 54.840 -0.370 0.000 0.748 544 L CB -0.488 41.061 42.059 -0.850 0.000 0.891 544 L HN 0.307 nan 8.230 nan 0.000 0.431 545 E N 0.092 120.226 120.200 -0.109 0.000 2.130 545 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 545 E C 2.148 178.823 176.600 0.125 0.000 0.998 545 E CA 1.226 57.733 56.400 0.179 0.000 0.806 545 E CB -0.193 29.699 29.700 0.321 0.000 0.738 545 E HN 0.523 nan 8.360 nan 0.000 0.459 546 A N 0.457 123.199 122.820 -0.130 0.000 2.172 546 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 546 A C 1.870 179.130 177.584 -0.539 0.000 1.154 546 A CA 0.885 52.450 52.037 -0.785 0.000 0.701 546 A CB -0.014 18.638 19.000 -0.580 0.000 0.789 546 A HN 0.110 nan 8.150 nan 0.000 0.465 547 M N -1.872 117.587 119.600 -0.236 0.000 2.382 547 M HA 0.192 4.672 4.480 -0.000 0.000 0.247 547 M C 1.306 177.579 176.300 -0.045 0.000 1.104 547 M CA 0.846 56.061 55.300 -0.140 0.000 1.030 547 M CB -0.463 32.069 32.600 -0.114 0.000 1.424 547 M HN 0.749 nan 8.290 nan 0.000 0.486 548 G N 0.994 109.803 108.800 0.015 0.000 2.149 548 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.235 548 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.235 548 G C 0.184 175.165 174.900 0.136 0.000 1.018 548 G CA 0.104 45.264 45.100 0.101 0.000 0.728 548 G HN 0.322 nan 8.290 nan 0.000 0.508 549 V N 0.572 120.580 119.914 0.158 0.000 3.099 549 V HA 0.421 4.541 4.120 -0.000 0.000 0.387 549 V C 0.356 176.688 176.094 0.397 0.000 1.358 549 V CA 0.073 62.520 62.300 0.246 0.000 1.528 549 V CB -0.347 31.604 31.823 0.214 0.000 1.342 549 V HN 0.309 nan 8.190 nan 0.000 0.513 550 L N 2.890 124.295 121.223 0.303 0.000 2.329 550 L HA 0.621 4.961 4.340 -0.000 0.000 0.279 550 L C -2.012 174.990 176.870 0.220 0.000 1.014 550 L CA -2.256 52.754 54.840 0.282 0.000 0.814 550 L CB 1.200 43.408 42.059 0.249 0.000 1.257 550 L HN 0.035 nan 8.230 nan 0.000 0.424 551 P HA 0.122 nan 4.420 nan 0.000 0.269 551 P C -0.071 177.316 177.300 0.144 0.000 1.217 551 P CA -0.111 63.108 63.100 0.199 0.000 0.783 551 P CB 0.711 32.532 31.700 0.202 0.000 0.898 552 G N -0.327 108.543 108.800 0.117 0.000 2.606 552 G HA2 0.408 4.368 3.960 -0.000 0.000 0.262 552 G HA3 0.408 4.368 3.960 -0.000 0.000 0.262 552 G C 1.161 176.102 174.900 0.068 0.000 1.394 552 G CA 0.011 45.157 45.100 0.078 0.000 1.044 552 G HN 0.452 nan 8.290 nan 0.000 0.553 553 A N -0.397 122.452 122.820 0.047 0.000 1.884 553 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 553 A C 2.298 179.912 177.584 0.050 0.000 1.197 553 A CA 2.701 54.764 52.037 0.043 0.000 0.637 553 A CB -0.724 18.295 19.000 0.030 0.000 0.827 553 A HN 0.567 nan 8.150 nan 0.000 0.450 554 K N -1.740 118.688 120.400 0.046 0.000 2.013 554 K HA -0.140 4.180 4.320 -0.000 0.000 0.225 554 K C 1.465 178.128 176.600 0.106 0.000 1.056 554 K CA 2.823 59.153 56.287 0.072 0.000 0.971 554 K CB -0.629 31.911 32.500 0.065 0.000 0.731 554 K HN 0.993 nan 8.250 nan 0.000 0.450 555 G N -2.917 105.966 108.800 0.139 0.000 3.006 555 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.195 555 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.195 555 G C -0.035 174.944 174.900 0.131 0.000 1.034 555 G CA 0.127 45.295 45.100 0.114 0.000 0.807 555 G HN 0.653 nan 8.290 nan 0.000 0.469 556 A N 1.480 124.422 122.820 0.203 0.000 2.532 556 A HA 0.496 4.816 4.320 -0.000 0.000 0.269 556 A C 1.068 178.751 177.584 0.165 0.000 1.079 556 A CA 1.586 53.709 52.037 0.144 0.000 0.800 556 A CB -0.523 18.515 19.000 0.062 0.000 1.000 556 A HN 1.998 nan 8.150 nan 0.000 0.522 557 S N 3.404 119.107 115.700 0.005 0.000 2.745 557 S HA 0.514 4.984 4.470 -0.000 0.000 0.292 557 S C 1.119 175.579 174.600 -0.233 0.000 1.133 557 S CA -0.182 57.990 58.200 -0.046 0.000 0.998 557 S CB 0.528 63.645 63.200 -0.139 0.000 1.087 557 S HN 1.212 nan 8.310 nan 0.000 0.551 558 W N 1.411 122.583 121.300 -0.212 0.000 2.389 558 W HA -0.069 4.591 4.660 -0.000 0.000 0.267 558 W C 0.146 176.607 176.519 -0.097 0.000 1.219 558 W CA 1.534 58.742 57.345 -0.228 0.000 1.189 558 W CB -0.888 28.553 29.460 -0.032 0.000 1.129 558 W HN 0.860 nan 8.180 nan 0.000 0.581 559 D N -0.268 119.725 120.400 -0.679 0.000 2.479 559 D HA 0.017 4.657 4.640 -0.000 0.000 0.221 559 D C -0.239 175.812 176.300 -0.414 0.000 1.104 559 D CA -0.099 53.526 54.000 -0.625 0.000 0.849 559 D CB -0.699 39.504 40.800 -0.997 0.000 1.072 559 D HN 0.150 nan 8.370 nan 0.000 0.502 560 E N 3.106 123.103 120.200 -0.337 0.000 2.052 560 E HA 0.198 4.547 4.350 -0.000 0.000 0.283 560 E C -2.227 174.286 176.600 -0.144 0.000 1.071 560 E CA -2.028 54.244 56.400 -0.212 0.000 0.851 560 E CB 1.251 30.858 29.700 -0.156 0.000 1.066 560 E HN 0.126 nan 8.360 nan 0.000 0.396 561 P HA -0.055 nan 4.420 nan 0.000 0.257 561 P C -0.003 177.263 177.300 -0.056 0.000 1.227 561 P CA 0.351 63.411 63.100 -0.067 0.000 0.981 561 P CB 1.019 32.674 31.700 -0.075 0.000 1.044 562 G N 2.864 111.629 108.800 -0.059 0.000 2.535 562 G HA2 0.365 4.325 3.960 -0.000 0.000 0.200 562 G HA3 0.365 4.325 3.960 -0.000 0.000 0.200 562 G C 0.497 175.280 174.900 -0.195 0.000 1.388 562 G CA 0.479 45.515 45.100 -0.108 0.000 0.720 562 G HN 0.618 nan 8.290 nan 0.000 0.598 563 A N -0.406 122.157 122.820 -0.428 0.000 2.339 563 A HA 0.483 4.803 4.320 -0.000 0.000 0.272 563 A C 1.078 178.590 177.584 -0.121 0.000 1.182 563 A CA 0.656 52.462 52.037 -0.385 0.000 0.819 563 A CB 0.120 18.866 19.000 -0.423 0.000 1.115 563 A HN 0.567 nan 8.150 nan 0.000 0.512 564 L N -3.252 117.914 121.223 -0.096 0.000 2.730 564 L HA 0.353 4.693 4.340 -0.000 0.000 0.236 564 L C -0.781 175.849 176.870 -0.399 0.000 1.061 564 L CA 0.740 55.423 54.840 -0.260 0.000 0.898 564 L CB 0.113 41.949 42.059 -0.372 0.000 1.270 564 L HN 0.610 nan 8.230 nan 0.000 0.500 565 Y N -0.126 120.255 120.300 0.134 0.000 2.331 565 Y HA 0.745 5.295 4.550 -0.000 0.000 0.334 565 Y C 0.013 175.976 175.900 0.105 0.000 0.960 565 Y CA -0.792 57.422 58.100 0.189 0.000 1.130 565 Y CB 1.386 39.975 38.460 0.215 0.000 1.164 565 Y HN -0.018 nan 8.280 nan 0.000 0.458 566 A N 2.389 125.327 122.820 0.197 0.000 2.572 566 A HA 0.646 4.966 4.320 -0.000 0.000 0.295 566 A C -2.351 175.203 177.584 -0.049 0.000 1.072 566 A CA -0.835 51.180 52.037 -0.038 0.000 0.691 566 A CB 1.190 20.037 19.000 -0.254 0.000 1.291 566 A HN 0.666 nan 8.150 nan 0.000 0.404 567 Y N 0.949 121.091 120.300 -0.263 0.000 2.323 567 Y HA 0.686 5.236 4.550 -0.000 0.000 0.331 567 Y C -1.665 174.065 175.900 -0.284 0.000 1.092 567 Y CA -0.599 57.408 58.100 -0.154 0.000 1.150 567 Y CB 0.838 39.262 38.460 -0.060 0.000 1.200 567 Y HN 0.548 nan 8.280 nan 0.000 0.472 568 Y N 3.337 123.178 120.300 -0.766 0.000 2.376 568 Y HA 0.439 4.989 4.550 -0.000 0.000 0.340 568 Y C 0.771 176.169 175.900 -0.836 0.000 0.965 568 Y CA -0.786 56.877 58.100 -0.728 0.000 1.078 568 Y CB 2.550 40.674 38.460 -0.559 0.000 1.193 568 Y HN 0.846 nan 8.280 nan 0.000 0.452 569 G N 2.810 111.477 108.800 -0.222 0.000 3.371 569 G HA2 0.353 4.313 3.960 -0.000 0.000 0.248 569 G HA3 0.353 4.313 3.960 -0.000 0.000 0.248 569 G C -0.425 174.717 174.900 0.403 0.000 1.161 569 G CA 0.164 45.361 45.100 0.162 0.000 0.796 569 G HN 0.489 nan 8.290 nan 0.000 0.539 570 F N -2.995 116.999 119.950 0.074 0.000 3.559 570 F HA 0.646 5.173 4.527 -0.000 0.000 0.329 570 F C -1.435 174.357 175.800 -0.013 0.000 1.128 570 F CA -1.782 56.246 58.000 0.046 0.000 0.859 570 F CB 0.976 40.009 39.000 0.056 0.000 1.590 570 F HN -0.223 nan 8.300 nan 0.000 0.504 571 V N 2.691 122.686 119.914 0.136 0.000 2.313 571 V HA 0.503 4.623 4.120 -0.000 0.000 0.278 571 V C -2.244 173.853 176.094 0.004 0.000 1.017 571 V CA -1.429 60.805 62.300 -0.111 0.000 0.823 571 V CB 0.758 32.533 31.823 -0.079 0.000 1.010 571 V HN 0.578 nan 8.190 nan 0.000 0.443 572 P HA 0.383 nan 4.420 nan 0.000 0.282 572 P C -2.716 174.511 177.300 -0.122 0.000 1.287 572 P CA -1.825 61.227 63.100 -0.080 0.000 0.792 572 P CB -0.210 31.178 31.700 -0.520 0.000 1.163 573 P HA -0.005 nan 4.420 nan 0.000 0.268 573 P C 0.666 177.762 177.300 -0.340 0.000 1.204 573 P CA 0.324 63.240 63.100 -0.306 0.000 0.768 573 P CB 0.549 31.926 31.700 -0.539 0.000 0.842 574 E N 1.828 121.817 120.200 -0.351 0.000 2.273 574 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 574 E C 1.382 177.797 176.600 -0.307 0.000 1.002 574 E CA 1.184 57.342 56.400 -0.403 0.000 0.828 574 E CB 0.066 29.530 29.700 -0.394 0.000 0.747 574 E HN 0.363 nan 8.360 nan 0.000 0.491 575 E N -0.364 119.671 120.200 -0.274 0.000 2.274 575 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 575 E C 1.395 177.893 176.600 -0.171 0.000 0.996 575 E CA 1.067 57.343 56.400 -0.208 0.000 0.840 575 E CB -0.006 29.551 29.700 -0.238 0.000 0.772 575 E HN 0.356 nan 8.360 nan 0.000 0.491 576 A N -0.277 122.423 122.820 -0.200 0.000 2.095 576 A HA 0.093 4.413 4.320 -0.000 0.000 0.212 576 A C 1.663 179.199 177.584 -0.081 0.000 1.162 576 A CA 0.145 52.101 52.037 -0.134 0.000 0.753 576 A CB -0.034 18.882 19.000 -0.141 0.000 0.840 576 A HN 0.202 nan 8.150 nan 0.000 0.468 577 L N 0.030 121.164 121.223 -0.149 0.000 2.022 577 L HA 0.053 4.393 4.340 -0.000 0.000 0.204 577 L C 1.287 178.203 176.870 0.077 0.000 1.076 577 L CA 1.167 55.963 54.840 -0.073 0.000 0.749 577 L CB -1.396 40.562 42.059 -0.169 0.000 0.903 577 L HN 0.378 nan 8.230 nan 0.000 0.439 578 K N 0.296 120.794 120.400 0.164 0.000 2.404 578 K HA 0.047 4.367 4.320 -0.000 0.000 0.271 578 K C 0.899 177.537 176.600 0.062 0.000 1.130 578 K CA 0.905 57.323 56.287 0.218 0.000 1.181 578 K CB -0.033 32.609 32.500 0.237 0.000 0.840 578 K HN 0.516 nan 8.250 nan 0.000 0.483 579 G N 3.985 112.802 108.800 0.027 0.000 3.102 579 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.200 579 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.200 579 G C -0.545 174.361 174.900 0.009 0.000 1.685 579 G CA -0.212 44.891 45.100 0.005 0.000 1.299 579 G HN 0.611 nan 8.290 nan 0.000 0.576 580 K N 1.113 121.522 120.400 0.016 0.000 2.616 580 K HA 0.003 4.322 4.320 -0.000 0.000 0.276 580 K C 1.556 178.187 176.600 0.053 0.000 0.979 580 K CA 0.807 57.101 56.287 0.012 0.000 1.055 580 K CB 0.435 32.971 32.500 0.061 0.000 0.826 580 K HN 0.458 nan 8.250 nan 0.000 0.490 581 R N 0.829 121.315 120.500 -0.025 0.000 2.066 581 R HA 0.026 4.366 4.340 -0.000 0.000 0.224 581 R C 0.265 176.808 176.300 0.406 0.000 1.122 581 R CA 0.806 56.950 56.100 0.073 0.000 0.974 581 R CB 0.110 30.311 30.300 -0.166 0.000 0.871 581 R HN 0.409 nan 8.270 nan 0.000 0.435 582 F N 0.935 121.048 119.950 0.272 0.000 2.529 582 F HA 0.334 4.861 4.527 -0.000 0.000 0.320 582 F C -0.795 175.247 175.800 0.403 0.000 1.118 582 F CA -1.617 56.678 58.000 0.491 0.000 0.915 582 F CB 1.675 41.011 39.000 0.560 0.000 1.161 582 F HN -0.284 nan 8.300 nan 0.000 0.445 583 V N 4.462 124.306 119.914 -0.117 0.000 2.540 583 V HA 0.853 4.973 4.120 -0.000 0.000 0.302 583 V C -1.263 174.596 176.094 -0.391 0.000 1.035 583 V CA -0.936 61.256 62.300 -0.180 0.000 0.873 583 V CB 1.192 32.928 31.823 -0.144 0.000 0.992 583 V HN 0.798 nan 8.190 nan 0.000 0.428 584 V N 2.927 122.749 119.914 -0.155 0.000 2.380 584 V HA 0.621 4.741 4.120 -0.000 0.000 0.286 584 V C -0.244 175.875 176.094 0.042 0.000 1.015 584 V CA -0.647 61.612 62.300 -0.068 0.000 0.834 584 V CB 1.245 33.095 31.823 0.045 0.000 1.009 584 V HN 0.923 nan 8.190 nan 0.000 0.428 585 M N 4.475 124.085 119.600 0.017 0.000 2.108 585 M HA 0.419 4.899 4.480 -0.000 0.000 0.354 585 M C 0.008 176.392 176.300 0.140 0.000 1.229 585 M CA -0.141 55.172 55.300 0.022 0.000 1.081 585 M CB 0.853 33.432 32.600 -0.036 0.000 1.606 585 M HN 0.836 nan 8.290 nan 0.000 0.467 586 H N 4.620 123.705 119.070 0.025 0.000 2.508 586 H HA 0.419 4.974 4.556 -0.000 0.000 0.224 586 H C -0.760 174.663 175.328 0.158 0.000 1.723 586 H CA -0.416 55.734 56.048 0.169 0.000 1.251 586 H CB 0.398 30.396 29.762 0.393 0.000 1.627 586 H HN 0.676 nan 8.280 nan 0.000 0.543 587 L N 0.584 121.871 121.223 0.107 0.000 2.543 587 L HA 0.060 4.400 4.340 -0.000 0.000 0.231 587 L C 1.529 178.441 176.870 0.069 0.000 1.194 587 L CA 0.309 55.201 54.840 0.088 0.000 0.823 587 L CB 1.103 43.235 42.059 0.121 0.000 1.374 587 L HN 0.469 nan 8.230 nan 0.000 0.507 588 S N -2.986 112.818 115.700 0.173 0.000 2.741 588 S HA 0.196 4.666 4.470 -0.000 0.000 0.245 588 S C 0.288 174.977 174.600 0.148 0.000 1.083 588 S CA -0.389 57.919 58.200 0.181 0.000 0.873 588 S CB 0.117 63.502 63.200 0.309 0.000 0.814 588 S HN 0.601 nan 8.310 nan 0.000 0.476 589 H N 0.220 119.372 119.070 0.136 0.000 2.676 589 H HA 0.721 5.277 4.556 -0.000 0.000 0.352 589 H C -1.230 174.157 175.328 0.098 0.000 1.193 589 H CA -0.926 55.200 56.048 0.130 0.000 1.243 589 H CB 1.007 30.866 29.762 0.161 0.000 1.751 589 H HN 0.172 nan 8.280 nan 0.000 0.567 590 L N 2.402 123.747 121.223 0.204 0.000 2.264 590 L HA 0.191 4.531 4.340 -0.000 0.000 0.287 590 L C -0.396 176.553 176.870 0.131 0.000 1.039 590 L CA -0.245 54.679 54.840 0.140 0.000 0.829 590 L CB -0.355 41.761 42.059 0.095 0.000 1.211 590 L HN 0.605 nan 8.230 nan 0.000 0.427 591 H N 6.241 125.340 119.070 0.049 0.000 2.615 591 H HA 0.260 4.816 4.556 -0.000 0.000 0.363 591 H C -1.947 173.379 175.328 -0.002 0.000 1.148 591 H CA -1.830 54.226 56.048 0.013 0.000 1.401 591 H CB 1.657 31.407 29.762 -0.021 0.000 1.461 591 H HN 0.439 nan 8.280 nan 0.000 0.588 592 P HA -0.104 nan 4.420 nan 0.000 0.219 592 P C 1.662 179.059 177.300 0.162 0.000 1.150 592 P CA 0.523 63.764 63.100 0.235 0.000 0.814 592 P CB 0.437 32.234 31.700 0.162 0.000 0.787 593 L N -1.522 119.751 121.223 0.083 0.000 2.622 593 L HA 0.027 4.367 4.340 -0.000 0.000 0.233 593 L C 1.712 178.454 176.870 -0.213 0.000 1.156 593 L CA 1.171 55.844 54.840 -0.278 0.000 0.866 593 L CB -1.158 40.506 42.059 -0.658 0.000 0.980 593 L HN -0.006 nan 8.230 nan 0.000 0.448 594 A N 0.106 122.884 122.820 -0.070 0.000 1.984 594 A HA -0.034 4.286 4.320 -0.000 0.000 0.203 594 A C 1.770 179.359 177.584 0.009 0.000 1.292 594 A CA 0.174 52.182 52.037 -0.049 0.000 0.782 594 A CB -0.050 18.938 19.000 -0.019 0.000 0.924 594 A HN 0.488 nan 8.150 nan 0.000 0.475 595 E N -0.097 120.130 120.200 0.044 0.000 2.533 595 E HA -0.052 4.298 4.350 -0.000 0.000 0.201 595 E C 1.086 177.721 176.600 0.059 0.000 1.097 595 E CA 0.587 57.017 56.400 0.049 0.000 0.887 595 E CB -0.130 29.604 29.700 0.056 0.000 0.855 595 E HN 0.598 nan 8.360 nan 0.000 0.540 596 R N -1.405 119.151 120.500 0.094 0.000 2.635 596 R HA 0.157 4.497 4.340 -0.000 0.000 0.241 596 R C 0.176 176.580 176.300 0.174 0.000 0.941 596 R CA 0.049 56.238 56.100 0.149 0.000 1.014 596 R CB 0.522 30.956 30.300 0.223 0.000 1.517 596 R HN 0.094 nan 8.270 nan 0.000 0.594 597 Y N -0.077 120.139 120.300 -0.140 0.000 2.626 597 Y HA 0.511 5.061 4.550 -0.000 0.000 0.248 597 Y C 0.178 175.878 175.900 -0.333 0.000 1.147 597 Y CA -1.031 56.946 58.100 -0.205 0.000 1.219 597 Y CB 1.194 39.533 38.460 -0.201 0.000 1.279 597 Y HN -0.033 nan 8.280 nan 0.000 0.541 598 A N -1.028 121.703 122.820 -0.149 0.000 2.325 598 A HA 0.561 4.881 4.320 -0.000 0.000 0.333 598 A C -0.166 177.269 177.584 -0.247 0.000 1.155 598 A CA -0.278 51.613 52.037 -0.244 0.000 0.814 598 A CB 0.627 19.557 19.000 -0.118 0.000 1.206 598 A HN 0.535 nan 8.150 nan 0.000 0.482 599 H N 0.410 119.415 119.070 -0.109 0.000 2.460 599 H HA 0.299 4.855 4.556 -0.000 0.000 0.297 599 H C -0.487 174.809 175.328 -0.053 0.000 1.023 599 H CA 0.508 56.512 56.048 -0.074 0.000 1.321 599 H CB 0.844 30.541 29.762 -0.109 0.000 1.455 599 H HN 0.307 nan 8.280 nan 0.000 0.539 600 V N 2.586 122.478 119.914 -0.036 0.000 2.398 600 V HA 0.194 4.314 4.120 -0.000 0.000 0.282 600 V C -0.769 175.317 176.094 -0.014 0.000 1.014 600 V CA -0.705 61.597 62.300 0.004 0.000 0.838 600 V CB 1.764 33.629 31.823 0.071 0.000 1.018 600 V HN 0.010 nan 8.190 nan 0.000 0.432 601 V N 6.243 126.154 119.914 -0.004 0.000 2.465 601 V HA 0.551 4.671 4.120 -0.000 0.000 0.279 601 V C -0.347 175.755 176.094 0.012 0.000 1.045 601 V CA -0.499 61.813 62.300 0.020 0.000 0.938 601 V CB 1.480 33.316 31.823 0.021 0.000 0.986 601 V HN 0.592 nan 8.190 nan 0.000 0.467 602 L N 7.341 128.628 121.223 0.107 0.000 2.376 602 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 602 L C -2.388 174.669 176.870 0.311 0.000 0.987 602 L CA -1.643 53.278 54.840 0.135 0.000 0.828 602 L CB 2.088 44.246 42.059 0.166 0.000 1.249 602 L HN 0.400 nan 8.230 nan 0.000 0.409 603 P HA 0.150 nan 4.420 nan 0.000 0.262 603 P C -0.928 176.537 177.300 0.276 0.000 1.182 603 P CA 0.079 63.310 63.100 0.219 0.000 0.761 603 P CB 0.941 32.774 31.700 0.223 0.000 0.795 604 A N 5.436 128.283 122.820 0.046 0.000 2.423 604 A HA 0.811 5.131 4.320 -0.000 0.000 0.304 604 A C -2.647 174.945 177.584 0.014 0.000 1.104 604 A CA -1.894 50.073 52.037 -0.118 0.000 0.757 604 A CB 1.410 20.002 19.000 -0.680 0.000 1.313 604 A HN 0.353 nan 8.150 nan 0.000 0.423 605 P HA 0.320 nan 4.420 nan 0.000 0.282 605 P C 0.146 177.490 177.300 0.073 0.000 1.249 605 P CA 0.044 63.175 63.100 0.051 0.000 0.806 605 P CB 1.083 32.809 31.700 0.045 0.000 0.984 606 T N -0.593 114.008 114.554 0.078 0.000 2.766 606 T HA 0.113 4.463 4.350 -0.000 0.000 0.295 606 T C 1.312 176.039 174.700 0.044 0.000 1.024 606 T CA -0.357 61.810 62.100 0.112 0.000 1.018 606 T CB -0.185 68.706 68.868 0.039 0.000 1.002 606 T HN 0.434 nan 8.240 nan 0.000 0.532 607 F N -0.942 118.987 119.950 -0.035 0.000 2.293 607 F HA 0.034 4.561 4.527 -0.000 0.000 0.300 607 F C 1.870 177.632 175.800 -0.064 0.000 1.086 607 F CA 0.258 58.200 58.000 -0.097 0.000 1.375 607 F CB -1.096 37.799 39.000 -0.176 0.000 1.045 607 F HN 0.441 nan 8.300 nan 0.000 0.516 608 Y N 2.045 121.842 120.300 -0.838 0.000 2.274 608 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 608 Y C 1.866 177.605 175.900 -0.268 0.000 1.145 608 Y CA 1.226 58.961 58.100 -0.608 0.000 1.203 608 Y CB -0.822 37.256 38.460 -0.637 0.000 0.984 608 Y HN 0.451 nan 8.280 nan 0.000 0.533 609 E N -0.751 119.420 120.200 -0.048 0.000 2.685 609 E HA 0.202 4.552 4.350 -0.000 0.000 0.208 609 E C 0.070 176.657 176.600 -0.021 0.000 0.996 609 E CA -0.199 56.182 56.400 -0.032 0.000 1.054 609 E CB 0.335 30.015 29.700 -0.033 0.000 1.075 609 E HN 0.175 nan 8.360 nan 0.000 0.460 610 K N 1.285 121.679 120.400 -0.011 0.000 2.502 610 K HA 0.500 4.820 4.320 -0.000 0.000 0.252 610 K C -0.205 176.364 176.600 -0.050 0.000 1.043 610 K CA -0.880 55.401 56.287 -0.010 0.000 0.999 610 K CB 1.420 33.936 32.500 0.027 0.000 1.343 610 K HN -0.008 nan 8.250 nan 0.000 0.513 611 R N -0.575 119.867 120.500 -0.096 0.000 2.579 611 R HA 0.418 4.758 4.340 -0.000 0.000 0.260 611 R C -0.961 175.168 176.300 -0.285 0.000 1.103 611 R CA -0.006 55.969 56.100 -0.208 0.000 0.942 611 R CB 1.485 31.599 30.300 -0.310 0.000 1.251 611 R HN 0.845 nan 8.270 nan 0.000 0.450 612 G N 2.405 111.016 108.800 -0.314 0.000 2.278 612 G HA2 0.083 4.043 3.960 -0.000 0.000 0.265 612 G HA3 0.083 4.043 3.960 -0.000 0.000 0.265 612 G C -1.821 172.903 174.900 -0.294 0.000 1.329 612 G CA -0.748 44.148 45.100 -0.339 0.000 1.017 612 G HN 0.638 nan 8.290 nan 0.000 0.472 613 H N -0.944 118.160 119.070 0.057 0.000 2.771 613 H HA 0.887 5.443 4.556 -0.000 0.000 0.367 613 H C -0.494 174.829 175.328 -0.008 0.000 1.172 613 H CA -0.412 55.652 56.048 0.027 0.000 1.186 613 H CB 1.589 31.371 29.762 0.032 0.000 1.790 613 H HN 0.484 nan 8.280 nan 0.000 0.556 614 L N 0.119 121.417 121.223 0.125 0.000 2.277 614 L HA 0.566 4.905 4.340 -0.000 0.000 0.254 614 L C -0.587 176.292 176.870 0.014 0.000 1.044 614 L CA -0.884 53.971 54.840 0.026 0.000 0.842 614 L CB 2.173 44.228 42.059 -0.008 0.000 1.422 614 L HN 0.327 nan 8.230 nan 0.000 0.422 615 V N 0.511 120.414 119.914 -0.018 0.000 2.638 615 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 615 V C -0.400 175.688 176.094 -0.009 0.000 1.052 615 V CA -0.940 61.354 62.300 -0.010 0.000 0.885 615 V CB 1.721 33.538 31.823 -0.010 0.000 0.999 615 V HN 0.660 nan 8.190 nan 0.000 0.424 616 N N 2.032 120.734 118.700 0.003 0.000 2.467 616 N HA 0.218 4.958 4.740 -0.000 0.000 0.262 616 N C 1.167 176.686 175.510 0.015 0.000 1.234 616 N CA -0.312 52.741 53.050 0.005 0.000 0.952 616 N CB 1.594 40.086 38.487 0.009 0.000 1.158 616 N HN 0.869 nan 8.380 nan 0.000 0.463 617 L N 0.401 121.631 121.223 0.012 0.000 2.549 617 L HA -0.024 4.316 4.340 -0.000 0.000 0.230 617 L C 0.974 177.857 176.870 0.022 0.000 1.162 617 L CA 1.355 56.205 54.840 0.017 0.000 0.834 617 L CB -0.176 41.887 42.059 0.006 0.000 0.947 617 L HN 0.617 nan 8.230 nan 0.000 0.452 618 E N -0.837 119.376 120.200 0.022 0.000 2.526 618 E HA 0.307 4.657 4.350 -0.000 0.000 0.208 618 E C 1.220 177.842 176.600 0.036 0.000 0.997 618 E CA 0.247 56.662 56.400 0.025 0.000 0.961 618 E CB 0.580 30.289 29.700 0.015 0.000 1.030 618 E HN 0.315 nan 8.360 nan 0.000 0.483 619 G N 1.924 110.749 108.800 0.041 0.000 2.141 619 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.242 619 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.242 619 G C 0.113 175.033 174.900 0.032 0.000 0.982 619 G CA 0.183 45.314 45.100 0.051 0.000 0.662 619 G HN 0.304 nan 8.290 nan 0.000 0.527 620 R N 0.378 120.890 120.500 0.020 0.000 2.357 620 R HA 0.529 4.868 4.340 -0.000 0.000 0.296 620 R C 0.806 177.105 176.300 -0.001 0.000 1.052 620 R CA 0.009 56.114 56.100 0.008 0.000 0.988 620 R CB 0.983 31.287 30.300 0.007 0.000 1.025 620 R HN 0.597 nan 8.270 nan 0.000 0.469 621 V N 4.584 124.487 119.914 -0.017 0.000 2.368 621 V HA 0.385 4.505 4.120 -0.000 0.000 0.266 621 V C -0.224 175.845 176.094 -0.042 0.000 1.045 621 V CA -0.590 61.691 62.300 -0.032 0.000 0.899 621 V CB 0.608 32.393 31.823 -0.065 0.000 1.006 621 V HN 0.557 nan 8.190 nan 0.000 0.470 622 L N 7.205 128.428 121.223 -0.000 0.000 2.331 622 L HA 0.664 5.004 4.340 -0.000 0.000 0.275 622 L C -2.237 174.687 176.870 0.090 0.000 1.022 622 L CA -1.955 52.898 54.840 0.023 0.000 0.812 622 L CB 2.606 44.684 42.059 0.031 0.000 1.257 622 L HN 0.427 nan 8.230 nan 0.000 0.435 623 P HA 0.302 nan 4.420 nan 0.000 0.288 623 P C -1.210 176.173 177.300 0.139 0.000 1.267 623 P CA -0.459 62.776 63.100 0.227 0.000 0.815 623 P CB 1.874 33.687 31.700 0.188 0.000 0.989 624 L N 2.054 123.348 121.223 0.117 0.000 2.287 624 L HA 0.339 4.679 4.340 -0.000 0.000 0.287 624 L C 0.468 177.350 176.870 0.019 0.000 1.022 624 L CA -0.228 54.654 54.840 0.071 0.000 0.814 624 L CB 1.422 43.513 42.059 0.054 0.000 1.217 624 L HN 0.381 nan 8.230 nan 0.000 0.420 625 S N 4.484 120.200 115.700 0.027 0.000 2.593 625 S HA 0.573 5.043 4.470 -0.000 0.000 0.297 625 S C -2.520 172.074 174.600 -0.010 0.000 1.112 625 S CA -1.125 57.070 58.200 -0.008 0.000 1.043 625 S CB 1.972 65.174 63.200 0.003 0.000 1.054 625 S HN 0.383 nan 8.310 nan 0.000 0.516 626 P HA 0.338 nan 4.420 nan 0.000 0.291 626 P C -1.238 176.038 177.300 -0.039 0.000 1.340 626 P CA -0.308 62.769 63.100 -0.039 0.000 0.799 626 P CB 0.671 32.339 31.700 -0.055 0.000 0.917 627 A N 6.389 129.182 122.820 -0.044 0.000 2.388 627 A HA 0.432 4.752 4.320 -0.000 0.000 0.257 627 A C -1.822 175.723 177.584 -0.066 0.000 1.095 627 A CA -1.522 50.476 52.037 -0.065 0.000 0.791 627 A CB -0.681 18.258 19.000 -0.101 0.000 1.029 627 A HN 0.345 nan 8.150 nan 0.000 0.489 628 P HA 0.120 nan 4.420 nan 0.000 0.262 628 P C -0.505 176.756 177.300 -0.065 0.000 1.647 628 P CA 0.321 63.388 63.100 -0.056 0.000 0.865 628 P CB -0.643 31.027 31.700 -0.050 0.000 1.834 629 I N -0.775 119.750 120.570 -0.074 0.000 2.886 629 I HA 0.167 4.337 4.170 -0.000 0.000 0.299 629 I C 1.103 177.185 176.117 -0.058 0.000 1.044 629 I CA -0.971 60.280 61.300 -0.083 0.000 1.310 629 I CB 0.534 38.471 38.000 -0.105 0.000 1.441 629 I HN -0.141 nan 8.210 nan 0.000 0.578 630 E N 3.556 123.722 120.200 -0.056 0.000 1.881 630 E HA -0.037 4.313 4.350 -0.000 0.000 0.264 630 E C 0.723 177.306 176.600 -0.029 0.000 1.243 630 E CA -0.009 56.368 56.400 -0.037 0.000 0.965 630 E CB -0.099 29.579 29.700 -0.035 0.000 1.055 630 E HN 0.517 nan 8.360 nan 0.000 0.412 631 N N 3.921 122.612 118.700 -0.014 0.000 2.446 631 N HA -0.011 4.729 4.740 -0.000 0.000 0.179 631 N C 1.137 176.665 175.510 0.030 0.000 1.054 631 N CA 0.614 53.667 53.050 0.004 0.000 0.905 631 N CB -0.197 38.295 38.487 0.008 0.000 0.973 631 N HN 0.457 nan 8.380 nan 0.000 0.448 632 G N 1.764 110.581 108.800 0.028 0.000 2.566 632 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.280 632 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.280 632 G C -0.286 174.664 174.900 0.084 0.000 1.225 632 G CA 0.239 45.370 45.100 0.052 0.000 0.966 632 G HN 0.383 nan 8.290 nan 0.000 0.560 633 E N 1.702 121.988 120.200 0.142 0.000 2.422 633 E HA 0.450 4.800 4.350 -0.000 0.000 0.267 633 E C 0.860 177.656 176.600 0.326 0.000 1.466 633 E CA 0.258 56.792 56.400 0.222 0.000 1.767 633 E CB -0.251 29.650 29.700 0.335 0.000 1.471 633 E HN 0.764 nan 8.360 nan 0.000 0.446 634 A N 1.506 124.448 122.820 0.203 0.000 2.304 634 A HA 0.383 4.703 4.320 -0.000 0.000 0.301 634 A C 0.017 177.687 177.584 0.144 0.000 1.132 634 A CA -0.489 51.702 52.037 0.255 0.000 0.819 634 A CB 0.859 19.960 19.000 0.168 0.000 1.094 634 A HN 0.121 nan 8.150 nan 0.000 0.492 635 E N 0.719 121.055 120.200 0.226 0.000 2.272 635 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 635 E C 0.111 176.851 176.600 0.234 0.000 0.877 635 E CA -0.471 55.960 56.400 0.052 0.000 0.755 635 E CB 1.907 31.425 29.700 -0.304 0.000 1.192 635 E HN 0.866 nan 8.360 nan 0.000 0.422 636 G N 0.781 109.664 108.800 0.137 0.000 2.554 636 G HA2 0.200 4.159 3.960 -0.000 0.000 0.238 636 G HA3 0.200 4.159 3.960 -0.000 0.000 0.238 636 G C 0.991 176.063 174.900 0.287 0.000 1.259 636 G CA 0.314 45.528 45.100 0.189 0.000 0.843 636 G HN 0.522 nan 8.290 nan 0.000 0.582 637 A N 1.640 124.692 122.820 0.386 0.000 2.076 637 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 637 A C 2.266 179.895 177.584 0.075 0.000 1.160 637 A CA 1.610 53.847 52.037 0.334 0.000 0.653 637 A CB -0.304 18.946 19.000 0.418 0.000 0.801 637 A HN 0.753 nan 8.150 nan 0.000 0.455 638 L N -0.842 120.412 121.223 0.053 0.000 2.083 638 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 638 L C 2.364 179.224 176.870 -0.017 0.000 1.083 638 L CA 2.597 57.431 54.840 -0.011 0.000 0.752 638 L CB -0.521 41.538 42.059 0.000 0.000 0.899 638 L HN 0.492 nan 8.230 nan 0.000 0.433 639 Q N -1.246 118.546 119.800 -0.012 0.000 2.061 639 Q HA -0.070 4.270 4.340 -0.000 0.000 0.195 639 Q C 2.131 178.094 176.000 -0.061 0.000 0.967 639 Q CA 1.987 57.758 55.803 -0.053 0.000 0.829 639 Q CB -0.399 28.279 28.738 -0.099 0.000 0.900 639 Q HN 0.316 nan 8.270 nan 0.000 0.450 640 V N 0.893 120.775 119.914 -0.053 0.000 2.380 640 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 640 V C 2.294 178.296 176.094 -0.154 0.000 1.063 640 V CA 1.708 63.954 62.300 -0.090 0.000 1.055 640 V CB -0.566 31.011 31.823 -0.410 0.000 0.657 640 V HN 0.402 nan 8.190 nan 0.000 0.455 641 L N -0.386 120.712 121.223 -0.207 0.000 2.027 641 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 641 L C 2.687 179.497 176.870 -0.101 0.000 1.074 641 L CA 1.602 56.298 54.840 -0.239 0.000 0.745 641 L CB -0.698 41.224 42.059 -0.229 0.000 0.898 641 L HN 0.386 nan 8.230 nan 0.000 0.433 642 A N -0.458 122.329 122.820 -0.054 0.000 1.972 642 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 642 A C 2.119 179.690 177.584 -0.020 0.000 1.169 642 A CA 1.434 53.462 52.037 -0.016 0.000 0.635 642 A CB -0.505 18.490 19.000 -0.007 0.000 0.810 642 A HN 0.347 nan 8.150 nan 0.000 0.446 643 L N -0.918 120.286 121.223 -0.031 0.000 2.240 643 L HA 0.129 4.469 4.340 -0.000 0.000 0.211 643 L C 1.928 178.890 176.870 0.153 0.000 1.106 643 L CA 1.355 56.183 54.840 -0.020 0.000 0.793 643 L CB -0.129 41.926 42.059 -0.006 0.000 0.927 643 L HN 0.511 nan 8.230 nan 0.000 0.446 644 L N -2.005 119.276 121.223 0.098 0.000 2.607 644 L HA 0.358 4.698 4.340 -0.000 0.000 0.228 644 L C 1.759 178.676 176.870 0.079 0.000 1.123 644 L CA 0.704 55.617 54.840 0.121 0.000 0.890 644 L CB -0.069 42.028 42.059 0.063 0.000 1.103 644 L HN 0.119 nan 8.230 nan 0.000 0.468 645 A N -0.446 122.410 122.820 0.060 0.000 1.997 645 A HA 0.021 4.341 4.320 -0.000 0.000 0.212 645 A C 2.035 179.662 177.584 0.071 0.000 1.178 645 A CA 0.521 52.587 52.037 0.048 0.000 0.698 645 A CB -0.115 18.904 19.000 0.032 0.000 0.842 645 A HN 0.498 nan 8.150 nan 0.000 0.458 646 E N 0.149 120.416 120.200 0.111 0.000 2.028 646 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 646 E C 1.978 178.668 176.600 0.150 0.000 0.988 646 E CA 0.968 57.458 56.400 0.149 0.000 0.799 646 E CB -0.225 29.614 29.700 0.232 0.000 0.755 646 E HN 0.535 nan 8.360 nan 0.000 0.447 647 A N 0.523 123.460 122.820 0.195 0.000 2.277 647 A HA -0.062 4.257 4.320 -0.000 0.000 0.208 647 A C 1.551 179.136 177.584 0.002 0.000 1.202 647 A CA 0.740 52.809 52.037 0.054 0.000 0.762 647 A CB -0.202 18.818 19.000 0.033 0.000 0.770 647 A HN 0.181 nan 8.150 nan 0.000 0.487 648 L N -2.943 118.296 121.223 0.027 0.000 3.086 648 L HA 0.335 4.674 4.340 -0.000 0.000 0.274 648 L C 1.402 178.275 176.870 0.006 0.000 1.184 648 L CA 0.461 55.302 54.840 0.002 0.000 1.002 648 L CB 0.412 42.482 42.059 0.017 0.000 1.383 648 L HN 0.548 nan 8.230 nan 0.000 0.582 649 G N 0.294 109.104 108.800 0.017 0.000 2.992 649 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.229 649 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.229 649 G C 0.053 174.967 174.900 0.022 0.000 1.969 649 G CA -0.185 44.923 45.100 0.014 0.000 1.603 649 G HN -0.120 nan 8.290 nan 0.000 0.573 650 V N 3.696 123.622 119.914 0.021 0.000 2.673 650 V HA 0.421 4.541 4.120 -0.000 0.000 0.303 650 V C 1.182 177.291 176.094 0.026 0.000 1.046 650 V CA 0.860 63.172 62.300 0.020 0.000 1.126 650 V CB 0.868 32.703 31.823 0.020 0.000 0.934 650 V HN 0.988 nan 8.190 nan 0.000 0.487 651 R N 7.179 127.690 120.500 0.019 0.000 2.347 651 R HA 0.412 4.752 4.340 -0.000 0.000 0.304 651 R C -2.417 173.891 176.300 0.013 0.000 1.072 651 R CA -1.190 54.920 56.100 0.016 0.000 0.980 651 R CB -0.340 29.963 30.300 0.006 0.000 0.986 651 R HN 0.508 nan 8.270 nan 0.000 0.448 652 P HA 0.120 nan 4.420 nan 0.000 0.270 652 P C -2.154 175.151 177.300 0.008 0.000 1.223 652 P CA -1.437 61.691 63.100 0.048 0.000 0.785 652 P CB 0.569 32.313 31.700 0.073 0.000 0.923 653 P HA 0.205 nan 4.420 nan 0.000 0.251 653 P C -0.466 176.573 177.300 -0.435 0.000 1.223 653 P CA 0.637 63.591 63.100 -0.243 0.000 0.796 653 P CB 0.125 31.615 31.700 -0.350 0.000 1.068 654 F N -0.783 119.150 119.950 -0.028 0.000 2.467 654 F HA 0.461 4.988 4.527 -0.000 0.000 0.336 654 F C 1.510 177.288 175.800 -0.037 0.000 1.123 654 F CA -0.662 57.319 58.000 -0.032 0.000 0.964 654 F CB 2.038 41.021 39.000 -0.028 0.000 1.136 654 F HN -0.385 nan 8.300 nan 0.000 0.447 655 R N 1.812 122.381 120.500 0.115 0.000 2.055 655 R HA 0.459 4.799 4.340 -0.000 0.000 0.190 655 R C -0.280 176.054 176.300 0.055 0.000 1.443 655 R CA 0.018 56.148 56.100 0.050 0.000 1.188 655 R CB 0.178 30.479 30.300 0.002 0.000 1.068 655 R HN 0.601 nan 8.270 nan 0.000 0.475 656 L N -3.183 118.073 121.223 0.056 0.000 2.267 656 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 656 L C 1.326 178.255 176.870 0.098 0.000 1.021 656 L CA -0.822 54.055 54.840 0.062 0.000 0.861 656 L CB 0.629 42.710 42.059 0.037 0.000 1.443 656 L HN 0.057 nan 8.230 nan 0.000 0.475 657 H N 0.040 119.114 119.070 0.006 0.000 2.326 657 H HA -0.080 4.476 4.556 -0.000 0.000 0.301 657 H C 1.882 177.217 175.328 0.011 0.000 1.081 657 H CA 2.417 58.464 56.048 -0.003 0.000 1.334 657 H CB 0.438 30.181 29.762 -0.033 0.000 1.385 657 H HN 0.686 nan 8.280 nan 0.000 0.504 658 L N 1.056 122.249 121.223 -0.050 0.000 1.990 658 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 658 L C 2.524 179.328 176.870 -0.110 0.000 1.072 658 L CA 1.816 56.597 54.840 -0.097 0.000 0.755 658 L CB -0.163 41.891 42.059 -0.009 0.000 0.889 658 L HN 0.335 nan 8.230 nan 0.000 0.432 659 E N -0.182 119.985 120.200 -0.054 0.000 2.107 659 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 659 E C 2.181 178.768 176.600 -0.023 0.000 0.982 659 E CA 1.102 57.474 56.400 -0.046 0.000 0.809 659 E CB -0.377 29.298 29.700 -0.042 0.000 0.756 659 E HN 0.601 nan 8.360 nan 0.000 0.459 660 A N 1.974 124.826 122.820 0.054 0.000 1.940 660 A HA -0.225 4.094 4.320 -0.000 0.000 0.219 660 A C 2.147 179.784 177.584 0.089 0.000 1.176 660 A CA 1.303 53.480 52.037 0.234 0.000 0.631 660 A CB -0.374 18.761 19.000 0.225 0.000 0.814 660 A HN 0.078 nan 8.150 nan 0.000 0.446 661 Q N -0.077 119.662 119.800 -0.101 0.000 2.181 661 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 661 Q C 1.915 177.905 176.000 -0.016 0.000 0.980 661 Q CA 1.600 57.338 55.803 -0.108 0.000 0.862 661 Q CB -0.322 28.289 28.738 -0.210 0.000 0.905 661 Q HN 0.715 nan 8.270 nan 0.000 0.429 662 K N -0.114 120.274 120.400 -0.020 0.000 2.097 662 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 662 K C 2.008 178.611 176.600 0.006 0.000 1.050 662 K CA 0.938 57.216 56.287 -0.015 0.000 0.938 662 K CB -0.014 32.461 32.500 -0.041 0.000 0.718 662 K HN 0.126 nan 8.250 nan 0.000 0.442 663 A N 1.316 124.159 122.820 0.038 0.000 1.898 663 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 663 A C 2.089 179.738 177.584 0.108 0.000 1.181 663 A CA 1.146 53.233 52.037 0.082 0.000 0.620 663 A CB -0.513 18.611 19.000 0.208 0.000 0.819 663 A HN 0.154 nan 8.150 nan 0.000 0.442 664 L N -0.750 120.540 121.223 0.112 0.000 2.027 664 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 664 L C 2.595 179.492 176.870 0.044 0.000 1.074 664 L CA 1.807 56.689 54.840 0.071 0.000 0.745 664 L CB -0.339 41.766 42.059 0.076 0.000 0.898 664 L HN 0.410 nan 8.230 nan 0.000 0.433 665 K N 0.123 120.546 120.400 0.039 0.000 2.360 665 K HA -0.152 4.167 4.320 -0.000 0.000 0.201 665 K C 1.927 178.537 176.600 0.016 0.000 1.046 665 K CA 0.944 57.245 56.287 0.023 0.000 0.945 665 K CB 0.081 32.592 32.500 0.018 0.000 0.750 665 K HN 0.306 nan 8.250 nan 0.000 0.464 666 A N 1.186 124.017 122.820 0.019 0.000 1.855 666 A HA -0.058 4.262 4.320 -0.000 0.000 0.213 666 A C 1.921 179.514 177.584 0.015 0.000 1.195 666 A CA 0.833 52.878 52.037 0.013 0.000 0.610 666 A CB -0.338 18.667 19.000 0.009 0.000 0.837 666 A HN 0.232 nan 8.150 nan 0.000 0.444 667 R N -0.454 120.058 120.500 0.019 0.000 2.293 667 R HA -0.054 4.285 4.340 -0.000 0.000 0.219 667 R C -0.408 175.896 176.300 0.007 0.000 1.091 667 R CA 0.992 57.099 56.100 0.011 0.000 1.004 667 R CB -0.295 30.005 30.300 -0.001 0.000 0.865 667 R HN 0.542 nan 8.270 nan 0.000 0.469 668 K N -0.096 120.310 120.400 0.010 0.000 3.335 668 K HA -0.103 4.216 4.320 -0.000 0.000 0.271 668 K C -0.860 175.743 176.600 0.005 0.000 1.105 668 K CA 0.302 56.595 56.287 0.010 0.000 0.799 668 K CB -1.638 30.871 32.500 0.015 0.000 1.309 668 K HN 0.039 nan 8.250 nan 0.000 0.469 669 V N 1.954 121.868 119.914 0.001 0.000 2.407 669 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 669 V C -1.583 174.506 176.094 -0.008 0.000 1.037 669 V CA -1.767 60.529 62.300 -0.006 0.000 0.900 669 V CB 0.868 32.684 31.823 -0.011 0.000 0.983 669 V HN 0.220 nan 8.190 nan 0.000 0.459 670 P HA 0.076 nan 4.420 nan 0.000 0.269 670 P C 0.027 177.297 177.300 -0.050 0.000 1.211 670 P CA 0.034 63.122 63.100 -0.019 0.000 0.781 670 P CB 0.554 32.247 31.700 -0.012 0.000 0.877 671 E N 0.199 120.369 120.200 -0.050 0.000 2.569 671 E HA 0.160 4.510 4.350 -0.000 0.000 0.258 671 E C 0.404 176.929 176.600 -0.126 0.000 1.390 671 E CA -0.070 56.281 56.400 -0.083 0.000 1.049 671 E CB 0.086 29.759 29.700 -0.044 0.000 1.009 671 E HN 0.582 nan 8.360 nan 0.000 0.580 672 A N 0.673 123.401 122.820 -0.155 0.000 2.531 672 A HA 0.064 4.384 4.320 -0.000 0.000 0.236 672 A C 0.929 178.472 177.584 -0.070 0.000 1.062 672 A CA 0.257 52.208 52.037 -0.144 0.000 0.760 672 A CB 0.026 18.964 19.000 -0.102 0.000 0.995 672 A HN 0.694 nan 8.150 nan 0.000 0.501 673 M N -0.703 118.865 119.600 -0.053 0.000 2.925 673 M HA -0.171 4.309 4.480 -0.000 0.000 0.187 673 M C 0.867 177.157 176.300 -0.017 0.000 0.634 673 M CA 1.550 56.836 55.300 -0.024 0.000 0.714 673 M CB -2.445 30.148 32.600 -0.012 0.000 2.568 673 M HN 1.203 nan 8.290 nan 0.000 0.281 674 G N 1.033 109.818 108.800 -0.025 0.000 2.476 674 G HA2 0.513 4.473 3.960 -0.000 0.000 0.269 674 G HA3 0.513 4.473 3.960 -0.000 0.000 0.269 674 G C -0.006 174.890 174.900 -0.006 0.000 1.195 674 G CA -0.451 44.642 45.100 -0.012 0.000 0.843 674 G HN 0.374 nan 8.290 nan 0.000 0.545 675 R N 0.371 120.876 120.500 0.008 0.000 2.368 675 R HA 0.369 4.709 4.340 -0.000 0.000 0.302 675 R C -0.599 175.719 176.300 0.029 0.000 1.002 675 R CA -0.760 55.352 56.100 0.020 0.000 0.929 675 R CB 1.711 32.027 30.300 0.028 0.000 1.073 675 R HN 0.319 nan 8.270 nan 0.000 0.464 676 L N 3.402 124.650 121.223 0.040 0.000 2.295 676 L HA 0.333 4.673 4.340 -0.000 0.000 0.281 676 L C -0.512 176.419 176.870 0.103 0.000 1.018 676 L CA -0.192 54.681 54.840 0.055 0.000 0.841 676 L CB 1.389 43.467 42.059 0.031 0.000 1.218 676 L HN 0.739 nan 8.230 nan 0.000 0.424 677 S N 4.823 120.588 115.700 0.108 0.000 2.523 677 S HA 0.567 5.037 4.470 -0.000 0.000 0.275 677 S C -0.707 174.028 174.600 0.225 0.000 1.281 677 S CA -0.469 57.812 58.200 0.135 0.000 1.050 677 S CB 0.929 64.183 63.200 0.090 0.000 0.937 677 S HN 0.566 nan 8.310 nan 0.000 0.492 678 F N 2.828 122.800 119.950 0.035 0.000 3.240 678 F HA 0.428 4.955 4.527 -0.000 0.000 0.370 678 F C -0.670 175.153 175.800 0.040 0.000 1.271 678 F CA -0.600 57.421 58.000 0.035 0.000 1.224 678 F CB 0.882 39.903 39.000 0.034 0.000 1.624 678 F HN 0.700 nan 8.300 nan 0.000 0.658 679 R N 3.879 124.135 120.500 -0.406 0.000 2.549 679 R HA 0.856 5.196 4.340 -0.000 0.000 0.259 679 R C -1.538 174.371 176.300 -0.652 0.000 1.095 679 R CA -1.254 54.583 56.100 -0.439 0.000 1.148 679 R CB 1.877 32.057 30.300 -0.200 0.000 1.181 679 R HN 0.774 nan 8.270 nan 0.000 0.571 680 L N 0.789 121.758 121.223 -0.423 0.000 2.830 680 L HA 0.268 4.608 4.340 -0.000 0.000 0.259 680 L C -1.626 175.133 176.870 -0.186 0.000 0.943 680 L CA -0.394 54.248 54.840 -0.329 0.000 0.997 680 L CB 1.224 43.035 42.059 -0.412 0.000 1.427 680 L HN 0.475 nan 8.230 nan 0.000 0.456 681 K N 5.422 125.747 120.400 -0.125 0.000 2.334 681 K HA 0.545 4.865 4.320 -0.000 0.000 0.265 681 K C -1.284 175.286 176.600 -0.052 0.000 1.039 681 K CA -0.412 55.817 56.287 -0.097 0.000 0.920 681 K CB 1.423 33.871 32.500 -0.087 0.000 1.160 681 K HN 0.681 nan 8.250 nan 0.000 0.451 682 E N 2.619 122.794 120.200 -0.040 0.000 2.857 682 E HA 0.253 4.603 4.350 -0.000 0.000 0.309 682 E C -1.365 175.238 176.600 0.004 0.000 1.113 682 E CA -0.991 55.405 56.400 -0.007 0.000 0.906 682 E CB 0.457 30.166 29.700 0.015 0.000 1.191 682 E HN 0.377 nan 8.360 nan 0.000 0.449 683 L N -0.739 120.491 121.223 0.013 0.000 2.543 683 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 683 L C -0.952 175.937 176.870 0.031 0.000 0.945 683 L CA -1.250 53.606 54.840 0.026 0.000 0.869 683 L CB 2.020 44.090 42.059 0.017 0.000 1.294 683 L HN 0.598 nan 8.230 nan 0.000 0.405 684 R N 1.961 122.486 120.500 0.042 0.000 2.233 684 R HA 0.552 4.892 4.340 -0.000 0.000 0.334 684 R C -2.707 173.614 176.300 0.034 0.000 1.037 684 R CA -1.509 54.614 56.100 0.038 0.000 0.920 684 R CB 0.971 31.298 30.300 0.045 0.000 1.137 684 R HN 0.447 nan 8.270 nan 0.000 0.492 685 P HA 0.248 nan 4.420 nan 0.000 0.276 685 P C -0.943 176.365 177.300 0.013 0.000 1.261 685 P CA -0.504 62.610 63.100 0.024 0.000 0.800 685 P CB 1.179 32.891 31.700 0.019 0.000 1.066 686 K N -0.359 120.047 120.400 0.011 0.000 2.568 686 K HA 0.194 4.514 4.320 -0.000 0.000 0.273 686 K C -0.529 176.074 176.600 0.005 0.000 0.951 686 K CA -0.670 55.616 56.287 -0.002 0.000 0.854 686 K CB 2.034 34.522 32.500 -0.020 0.000 1.424 686 K HN 0.590 nan 8.250 nan 0.000 0.427 687 E N 2.579 122.778 120.200 -0.002 0.000 2.345 687 E HA 0.305 4.655 4.350 -0.000 0.000 0.259 687 E C -0.693 175.913 176.600 0.011 0.000 1.117 687 E CA -0.734 55.668 56.400 0.004 0.000 0.913 687 E CB 0.902 30.601 29.700 -0.002 0.000 1.057 687 E HN 0.183 nan 8.360 nan 0.000 0.432 688 R N 1.836 122.346 120.500 0.017 0.000 2.388 688 R HA 0.145 4.485 4.340 -0.000 0.000 0.314 688 R C -0.645 175.669 176.300 0.024 0.000 0.959 688 R CA -0.712 55.406 56.100 0.029 0.000 0.851 688 R CB 1.234 31.559 30.300 0.042 0.000 1.168 688 R HN 0.654 nan 8.270 nan 0.000 0.472 689 K N 1.066 121.484 120.400 0.030 0.000 2.449 689 K HA 0.141 4.461 4.320 -0.000 0.000 0.237 689 K C 0.472 177.097 176.600 0.042 0.000 1.265 689 K CA -0.159 56.147 56.287 0.031 0.000 1.193 689 K CB -0.140 32.380 32.500 0.035 0.000 1.515 689 K HN 0.547 nan 8.250 nan 0.000 0.259 690 G N 1.115 109.922 108.800 0.012 0.000 2.526 690 G HA2 0.216 4.176 3.960 -0.000 0.000 0.293 690 G HA3 0.216 4.176 3.960 -0.000 0.000 0.293 690 G C 0.524 175.392 174.900 -0.053 0.000 0.882 690 G CA -0.068 45.016 45.100 -0.026 0.000 1.656 690 G HN 0.625 nan 8.290 nan 0.000 0.474 691 A N 3.089 125.910 122.820 0.002 0.000 1.971 691 A HA 0.648 4.968 4.320 -0.000 0.000 0.200 691 A C 0.269 177.743 177.584 -0.183 0.000 1.658 691 A CA 0.084 52.083 52.037 -0.063 0.000 0.962 691 A CB 0.484 19.503 19.000 0.032 0.000 1.053 691 A HN 0.441 nan 8.150 nan 0.000 0.533 692 F N -1.314 118.663 119.950 0.046 0.000 2.470 692 F HA 0.612 5.139 4.527 -0.000 0.000 0.329 692 F C -0.466 175.437 175.800 0.172 0.000 1.072 692 F CA -0.648 57.404 58.000 0.086 0.000 0.989 692 F CB 1.483 40.521 39.000 0.064 0.000 1.193 692 F HN 0.238 nan 8.300 nan 0.000 0.481 693 Y N 2.850 123.322 120.300 0.286 0.000 2.376 693 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 693 Y C -1.029 174.971 175.900 0.168 0.000 0.965 693 Y CA -1.508 56.737 58.100 0.241 0.000 1.078 693 Y CB 1.205 39.908 38.460 0.405 0.000 1.193 693 Y HN 0.382 nan 8.280 nan 0.000 0.452 694 L N 7.563 128.480 121.223 -0.510 0.000 2.375 694 L HA 0.348 4.688 4.340 -0.000 0.000 0.276 694 L C 0.630 176.963 176.870 -0.893 0.000 1.162 694 L CA -0.247 54.264 54.840 -0.547 0.000 0.991 694 L CB -0.110 41.705 42.059 -0.408 0.000 1.315 694 L HN 0.516 nan 8.230 nan 0.000 0.431 695 R N 5.612 125.684 120.500 -0.714 0.000 2.473 695 R HA 0.084 4.424 4.340 -0.000 0.000 0.315 695 R C -2.156 173.876 176.300 -0.446 0.000 0.972 695 R CA -1.152 54.575 56.100 -0.621 0.000 1.047 695 R CB 0.525 30.418 30.300 -0.679 0.000 0.932 695 R HN 0.218 nan 8.270 nan 0.000 0.411 696 P HA -0.003 nan 4.420 nan 0.000 0.267 696 P C -0.727 176.488 177.300 -0.143 0.000 1.209 696 P CA 0.179 63.165 63.100 -0.190 0.000 0.763 696 P CB 0.985 32.635 31.700 -0.084 0.000 0.816 697 T N -0.153 114.315 114.554 -0.143 0.000 2.930 697 T HA 0.409 4.759 4.350 -0.000 0.000 0.290 697 T C 1.110 175.762 174.700 -0.080 0.000 1.052 697 T CA -0.918 61.126 62.100 -0.094 0.000 1.017 697 T CB 1.701 70.512 68.868 -0.096 0.000 1.137 697 T HN 0.298 nan 8.240 nan 0.000 0.511 698 M N -0.225 119.329 119.600 -0.078 0.000 2.102 698 M HA 0.221 4.701 4.480 -0.000 0.000 0.259 698 M C -0.242 175.946 176.300 -0.187 0.000 1.083 698 M CA 0.698 55.891 55.300 -0.180 0.000 1.141 698 M CB 0.033 32.446 32.600 -0.311 0.000 1.318 698 M HN 0.670 nan 8.290 nan 0.000 0.421 699 W N 3.164 124.401 121.300 -0.106 0.000 2.295 699 W HA 0.023 4.682 4.660 -0.000 0.000 0.335 699 W C 0.107 176.527 176.519 -0.166 0.000 1.351 699 W CA -0.262 57.011 57.345 -0.119 0.000 1.273 699 W CB 0.107 29.508 29.460 -0.098 0.000 1.214 699 W HN 0.022 nan 8.180 nan 0.000 0.563 700 K N 2.103 122.515 120.400 0.020 0.000 2.098 700 K HA 0.405 4.725 4.320 -0.000 0.000 0.261 700 K C 0.853 177.306 176.600 -0.245 0.000 0.987 700 K CA -0.137 56.055 56.287 -0.158 0.000 0.916 700 K CB 1.167 33.512 32.500 -0.257 0.000 1.039 700 K HN 0.427 nan 8.250 nan 0.000 0.455 701 A N 1.878 124.582 122.820 -0.193 0.000 2.015 701 A HA -0.130 4.189 4.320 -0.000 0.000 0.219 701 A C 1.137 178.586 177.584 -0.224 0.000 1.163 701 A CA 1.295 53.236 52.037 -0.160 0.000 0.646 701 A CB -0.782 18.157 19.000 -0.102 0.000 0.806 701 A HN 0.817 nan 8.150 nan 0.000 0.448 702 H N -0.971 117.888 119.070 -0.351 0.000 2.566 702 H HA 0.244 4.800 4.556 -0.000 0.000 0.280 702 H C 0.643 175.541 175.328 -0.718 0.000 1.042 702 H CA 0.682 56.399 56.048 -0.552 0.000 1.168 702 H CB -0.320 28.961 29.762 -0.802 0.000 1.340 702 H HN 0.626 nan 8.280 nan 0.000 0.597 703 Q N 0.306 119.726 119.800 -0.634 0.000 2.247 703 Q HA 0.309 4.649 4.340 -0.000 0.000 0.211 703 Q C 1.140 177.102 176.000 -0.064 0.000 0.861 703 Q CA 0.146 55.787 55.803 -0.270 0.000 0.949 703 Q CB 0.876 29.602 28.738 -0.019 0.000 1.115 703 Q HN 0.473 nan 8.270 nan 0.000 0.507 704 A N 1.226 123.971 122.820 -0.125 0.000 2.358 704 A HA 0.198 4.518 4.320 -0.000 0.000 0.232 704 A C 0.211 177.773 177.584 -0.038 0.000 1.498 704 A CA 0.127 52.100 52.037 -0.107 0.000 1.400 704 A CB -0.644 18.285 19.000 -0.119 0.000 0.852 704 A HN 0.060 nan 8.150 nan 0.000 0.605 705 V N -0.956 118.983 119.914 0.042 0.000 2.435 705 V HA 0.707 4.826 4.120 -0.000 0.000 0.290 705 V C 1.334 177.458 176.094 0.051 0.000 1.030 705 V CA 0.029 62.380 62.300 0.085 0.000 0.881 705 V CB 0.340 32.288 31.823 0.209 0.000 0.983 705 V HN 1.097 nan 8.190 nan 0.000 0.445 706 G N 4.502 113.310 108.800 0.014 0.000 3.274 706 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.313 706 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.313 706 G C 0.979 175.832 174.900 -0.079 0.000 1.295 706 G CA 0.686 45.778 45.100 -0.014 0.000 1.004 706 G HN 0.583 nan 8.290 nan 0.000 0.614 707 K N 0.937 121.280 120.400 -0.095 0.000 2.244 707 K HA 0.445 4.765 4.320 -0.000 0.000 0.200 707 K C 2.722 179.153 176.600 -0.281 0.000 1.052 707 K CA 1.042 57.178 56.287 -0.251 0.000 0.980 707 K CB -0.155 32.158 32.500 -0.311 0.000 0.838 707 K HN 0.697 nan 8.250 nan 0.000 0.481 708 A N 1.796 124.583 122.820 -0.055 0.000 2.239 708 A HA -0.125 4.195 4.320 -0.000 0.000 0.209 708 A C 2.015 179.455 177.584 -0.239 0.000 1.171 708 A CA 0.727 52.696 52.037 -0.113 0.000 0.768 708 A CB -0.390 18.595 19.000 -0.025 0.000 0.790 708 A HN 0.330 nan 8.150 nan 0.000 0.478 709 Q N -0.315 119.382 119.800 -0.172 0.000 2.002 709 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 709 Q C 1.785 177.673 176.000 -0.186 0.000 0.988 709 Q CA 1.868 57.581 55.803 -0.149 0.000 0.843 709 Q CB -0.078 28.589 28.738 -0.118 0.000 0.908 709 Q HN 0.611 nan 8.270 nan 0.000 0.420 710 E N -0.827 119.247 120.200 -0.209 0.000 2.216 710 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 710 E C 1.497 177.956 176.600 -0.235 0.000 0.988 710 E CA 0.839 57.125 56.400 -0.191 0.000 0.834 710 E CB 0.158 29.756 29.700 -0.169 0.000 0.772 710 E HN 0.411 nan 8.360 nan 0.000 0.479 711 A N 0.326 122.931 122.820 -0.359 0.000 2.132 711 A HA 0.218 4.538 4.320 -0.000 0.000 0.213 711 A C 1.831 178.978 177.584 -0.727 0.000 1.154 711 A CA 0.980 52.702 52.037 -0.524 0.000 0.753 711 A CB 0.206 18.813 19.000 -0.654 0.000 0.826 711 A HN 0.129 nan 8.150 nan 0.000 0.469 712 A N -0.586 121.894 122.820 -0.567 0.000 2.574 712 A HA 0.440 4.760 4.320 -0.000 0.000 0.283 712 A C 0.796 178.269 177.584 -0.185 0.000 1.270 712 A CA -0.375 51.458 52.037 -0.341 0.000 0.945 712 A CB -0.290 18.549 19.000 -0.268 0.000 1.127 712 A HN 0.418 nan 8.150 nan 0.000 0.522 713 R N 0.169 120.565 120.500 -0.173 0.000 2.738 713 R HA 0.513 4.852 4.340 -0.000 0.000 0.268 713 R C 0.415 176.658 176.300 -0.095 0.000 1.062 713 R CA 0.559 56.589 56.100 -0.117 0.000 1.158 713 R CB 0.418 30.658 30.300 -0.100 0.000 1.046 713 R HN 0.312 nan 8.270 nan 0.000 0.493 714 A N 1.962 124.731 122.820 -0.086 0.000 2.271 714 A HA 0.424 4.744 4.320 -0.000 0.000 0.288 714 A C -0.996 176.543 177.584 -0.075 0.000 1.094 714 A CA -0.496 51.484 52.037 -0.094 0.000 0.828 714 A CB 0.699 19.640 19.000 -0.098 0.000 1.091 714 A HN 0.797 nan 8.150 nan 0.000 0.493 715 E N -0.383 119.746 120.200 -0.118 0.000 2.383 715 E HA 0.663 5.013 4.350 -0.000 0.000 0.275 715 E C -1.477 175.042 176.600 -0.135 0.000 0.918 715 E CA -0.581 55.769 56.400 -0.085 0.000 0.764 715 E CB 1.456 31.127 29.700 -0.048 0.000 1.252 715 E HN 0.432 nan 8.360 nan 0.000 0.449 716 L N 2.203 123.447 121.223 0.035 0.000 2.372 716 L HA 0.534 4.874 4.340 -0.000 0.000 0.273 716 L C -1.558 175.516 176.870 0.340 0.000 0.989 716 L CA -0.708 54.199 54.840 0.111 0.000 0.841 716 L CB 0.700 42.845 42.059 0.144 0.000 1.225 716 L HN 0.578 nan 8.230 nan 0.000 0.414 717 W N 4.167 125.555 121.300 0.147 0.000 2.475 717 W HA 0.759 5.419 4.660 -0.000 0.000 0.317 717 W C -0.087 176.480 176.519 0.081 0.000 1.046 717 W CA -1.211 56.218 57.345 0.141 0.000 1.215 717 W CB 1.638 31.225 29.460 0.211 0.000 1.335 717 W HN 0.503 nan 8.180 nan 0.000 0.471 718 A N 1.847 124.831 122.820 0.274 0.000 2.572 718 A HA 0.466 4.786 4.320 -0.000 0.000 0.295 718 A C -1.486 176.151 177.584 0.089 0.000 1.072 718 A CA -0.935 51.173 52.037 0.117 0.000 0.691 718 A CB 0.992 20.027 19.000 0.058 0.000 1.291 718 A HN 0.645 nan 8.150 nan 0.000 0.404 719 H N 2.252 121.297 119.070 -0.041 0.000 3.034 719 H HA 0.218 4.774 4.556 -0.000 0.000 0.324 719 H C -1.824 173.428 175.328 -0.127 0.000 1.015 719 H CA -0.312 55.694 56.048 -0.070 0.000 1.429 719 H CB 0.873 30.580 29.762 -0.091 0.000 1.429 719 H HN 0.300 nan 8.280 nan 0.000 0.585 720 P HA -0.223 nan 4.420 nan 0.000 0.218 720 P C 0.643 177.662 177.300 -0.468 0.000 1.147 720 P CA 1.757 64.422 63.100 -0.725 0.000 0.827 720 P CB 0.271 31.561 31.700 -0.684 0.000 0.778 721 E N -1.054 118.987 120.200 -0.265 0.000 2.005 721 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 721 E C 2.172 178.748 176.600 -0.040 0.000 0.987 721 E CA 1.907 58.278 56.400 -0.049 0.000 0.814 721 E CB -1.025 28.745 29.700 0.116 0.000 0.772 721 E HN 0.317 nan 8.360 nan 0.000 0.453 722 T N 0.179 114.744 114.554 0.018 0.000 2.737 722 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 722 T C 2.071 176.749 174.700 -0.036 0.000 1.040 722 T CA 1.338 63.425 62.100 -0.022 0.000 1.142 722 T CB -0.386 68.459 68.868 -0.039 0.000 0.861 722 T HN 0.189 nan 8.240 nan 0.000 0.456 723 A N 2.215 125.002 122.820 -0.056 0.000 1.849 723 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 723 A C 2.533 180.105 177.584 -0.020 0.000 1.202 723 A CA 2.002 54.021 52.037 -0.030 0.000 0.629 723 A CB -0.934 18.018 19.000 -0.081 0.000 0.834 723 A HN 0.545 nan 8.150 nan 0.000 0.447 724 R N -0.587 119.865 120.500 -0.081 0.000 2.276 724 R HA 0.087 4.426 4.340 -0.000 0.000 0.203 724 R C 2.072 178.358 176.300 -0.023 0.000 1.017 724 R CA 0.901 56.979 56.100 -0.037 0.000 1.010 724 R CB -0.278 29.978 30.300 -0.073 0.000 0.900 724 R HN 0.499 nan 8.270 nan 0.000 0.469 725 A N 0.403 123.205 122.820 -0.030 0.000 1.968 725 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 725 A C 1.517 179.095 177.584 -0.011 0.000 1.169 725 A CA 1.043 53.067 52.037 -0.021 0.000 0.638 725 A CB -0.053 18.931 19.000 -0.026 0.000 0.812 725 A HN 0.375 nan 8.150 nan 0.000 0.446 726 E N -0.777 119.420 120.200 -0.005 0.000 2.423 726 E HA 0.455 4.805 4.350 -0.000 0.000 0.198 726 E C 0.085 176.698 176.600 0.021 0.000 1.038 726 E CA 0.253 56.656 56.400 0.006 0.000 1.011 726 E CB -0.251 29.450 29.700 0.002 0.000 1.118 726 E HN 0.671 nan 8.360 nan 0.000 0.451 727 A N 0.794 123.626 122.820 0.019 0.000 2.475 727 A HA -0.184 4.136 4.320 -0.000 0.000 0.295 727 A C -0.455 177.154 177.584 0.042 0.000 1.457 727 A CA 0.652 52.705 52.037 0.027 0.000 0.734 727 A CB -1.980 17.033 19.000 0.021 0.000 1.118 727 A HN 0.363 nan 8.150 nan 0.000 0.400 728 L N 0.515 121.774 121.223 0.060 0.000 2.492 728 L HA 0.377 4.717 4.340 -0.000 0.000 0.258 728 L C -2.351 174.596 176.870 0.128 0.000 1.028 728 L CA -1.909 52.982 54.840 0.085 0.000 0.900 728 L CB 1.758 43.875 42.059 0.098 0.000 1.191 728 L HN 0.178 nan 8.230 nan 0.000 0.459 729 P HA -0.045 nan 4.420 nan 0.000 0.268 729 P C 0.726 178.012 177.300 -0.023 0.000 1.208 729 P CA -0.040 63.100 63.100 0.067 0.000 0.777 729 P CB 0.827 32.541 31.700 0.023 0.000 0.875 730 E N 0.988 121.079 120.200 -0.181 0.000 2.331 730 E HA -0.092 4.258 4.350 -0.000 0.000 0.199 730 E C 0.416 176.863 176.600 -0.256 0.000 1.008 730 E CA 0.802 56.879 56.400 -0.538 0.000 0.843 730 E CB -0.329 29.019 29.700 -0.586 0.000 0.761 730 E HN 0.627 nan 8.360 nan 0.000 0.507 731 G N -0.011 108.714 108.800 -0.126 0.000 3.829 731 G HA2 0.572 4.532 3.960 -0.000 0.000 0.289 731 G HA3 0.572 4.532 3.960 -0.000 0.000 0.289 731 G C -1.108 173.767 174.900 -0.041 0.000 1.274 731 G CA 0.090 45.145 45.100 -0.075 0.000 0.698 731 G HN 0.243 nan 8.290 nan 0.000 0.488 732 A N 0.877 123.683 122.820 -0.024 0.000 2.435 732 A HA 0.803 5.123 4.320 -0.000 0.000 0.304 732 A C -0.440 177.143 177.584 -0.001 0.000 1.064 732 A CA -0.673 51.358 52.037 -0.009 0.000 0.727 732 A CB 1.675 20.675 19.000 0.001 0.000 1.284 732 A HN 0.213 nan 8.150 nan 0.000 0.415 733 Q N 1.682 121.480 119.800 -0.003 0.000 2.571 733 Q HA 0.292 4.632 4.340 -0.000 0.000 0.222 733 Q C -0.588 175.413 176.000 0.002 0.000 1.167 733 Q CA -0.041 55.759 55.803 -0.004 0.000 0.966 733 Q CB 0.895 29.625 28.738 -0.013 0.000 1.274 733 Q HN 0.489 nan 8.270 nan 0.000 0.552 734 V N 1.542 121.463 119.914 0.012 0.000 2.583 734 V HA 0.394 4.514 4.120 -0.000 0.000 0.287 734 V C 0.343 176.442 176.094 0.009 0.000 1.051 734 V CA -0.508 61.803 62.300 0.019 0.000 1.010 734 V CB 1.418 33.266 31.823 0.041 0.000 0.988 734 V HN 0.682 nan 8.190 nan 0.000 0.478 735 A N 5.124 127.948 122.820 0.006 0.000 2.310 735 A HA 0.772 5.092 4.320 -0.000 0.000 0.299 735 A C -0.635 176.945 177.584 -0.008 0.000 1.147 735 A CA -0.371 51.661 52.037 -0.008 0.000 0.818 735 A CB 0.957 19.951 19.000 -0.010 0.000 1.096 735 A HN 0.681 nan 8.150 nan 0.000 0.495 736 V N 1.734 121.625 119.914 -0.038 0.000 2.841 736 V HA 0.470 4.590 4.120 -0.000 0.000 0.310 736 V C -0.425 175.590 176.094 -0.131 0.000 1.090 736 V CA -0.584 61.670 62.300 -0.077 0.000 0.930 736 V CB 1.943 33.706 31.823 -0.099 0.000 1.014 736 V HN 1.035 nan 8.190 nan 0.000 0.425 737 E N 1.840 121.940 120.200 -0.167 0.000 2.187 737 E HA 0.754 5.103 4.350 -0.000 0.000 0.268 737 E C -0.964 175.495 176.600 -0.236 0.000 0.896 737 E CA -0.255 56.050 56.400 -0.158 0.000 0.766 737 E CB 1.849 31.493 29.700 -0.093 0.000 1.142 737 E HN 0.830 nan 8.360 nan 0.000 0.408 738 T N 3.189 117.631 114.554 -0.187 0.000 2.887 738 T HA 0.290 4.640 4.350 -0.000 0.000 0.292 738 T C -2.151 172.474 174.700 -0.125 0.000 1.087 738 T CA -1.544 60.458 62.100 -0.164 0.000 1.009 738 T CB 1.314 70.115 68.868 -0.113 0.000 1.203 738 T HN 0.258 nan 8.240 nan 0.000 0.518 739 P HA -0.014 nan 4.420 nan 0.000 0.219 739 P C 0.435 177.431 177.300 -0.507 0.000 1.144 739 P CA 1.152 64.047 63.100 -0.343 0.000 0.806 739 P CB -0.085 31.356 31.700 -0.432 0.000 0.771 740 F N -1.869 118.008 119.950 -0.122 0.000 2.695 740 F HA 0.420 4.947 4.527 -0.000 0.000 0.303 740 F C 1.476 177.214 175.800 -0.104 0.000 1.091 740 F CA 0.626 58.566 58.000 -0.099 0.000 1.300 740 F CB 0.253 39.212 39.000 -0.068 0.000 1.071 740 F HN -0.119 nan 8.300 nan 0.000 0.578 741 G N 0.600 109.400 108.800 0.000 0.000 2.340 741 G HA2 0.010 3.970 3.960 -0.000 0.000 0.527 741 G HA3 0.010 3.970 3.960 -0.000 0.000 0.527 741 G C -1.448 173.423 174.900 -0.049 0.000 1.381 741 G CA -1.295 43.784 45.100 -0.035 0.000 1.001 741 G HN 0.075 nan 8.290 nan 0.000 0.626 742 R N 0.060 120.531 120.500 -0.048 0.000 2.216 742 R HA 0.581 4.921 4.340 -0.000 0.000 0.332 742 R C -0.664 175.611 176.300 -0.042 0.000 1.056 742 R CA -0.314 55.755 56.100 -0.052 0.000 0.901 742 R CB 0.671 30.946 30.300 -0.042 0.000 1.039 742 R HN 0.574 nan 8.270 nan 0.000 0.456 743 V N 5.099 124.979 119.914 -0.056 0.000 2.577 743 V HA 0.204 4.323 4.120 -0.000 0.000 0.303 743 V C 0.093 176.157 176.094 -0.050 0.000 1.042 743 V CA -1.038 61.230 62.300 -0.053 0.000 0.872 743 V CB 1.588 33.372 31.823 -0.066 0.000 0.998 743 V HN 0.830 nan 8.190 nan 0.000 0.423 744 E N 3.988 124.163 120.200 -0.041 0.000 2.374 744 E HA 0.689 5.038 4.350 -0.000 0.000 0.260 744 E C -0.453 176.125 176.600 -0.036 0.000 1.101 744 E CA -0.368 56.012 56.400 -0.033 0.000 0.907 744 E CB 2.073 31.756 29.700 -0.028 0.000 1.014 744 E HN 0.956 nan 8.360 nan 0.000 0.427 745 A N 2.241 125.049 122.820 -0.022 0.000 2.555 745 A HA 0.420 4.740 4.320 -0.000 0.000 0.297 745 A C -0.648 176.939 177.584 0.005 0.000 1.060 745 A CA -0.903 51.124 52.037 -0.017 0.000 0.710 745 A CB 0.922 19.910 19.000 -0.020 0.000 1.282 745 A HN 0.758 nan 8.150 nan 0.000 0.399 746 R N 0.745 121.251 120.500 0.009 0.000 2.543 746 R HA 0.568 4.908 4.340 -0.000 0.000 0.277 746 R C -0.337 176.005 176.300 0.069 0.000 1.074 746 R CA -0.350 55.766 56.100 0.027 0.000 1.076 746 R CB 1.024 31.338 30.300 0.023 0.000 0.993 746 R HN 0.953 nan 8.270 nan 0.000 0.459 747 V N 3.781 123.733 119.914 0.062 0.000 2.417 747 V HA 0.548 4.668 4.120 -0.000 0.000 0.291 747 V C -0.854 175.284 176.094 0.073 0.000 1.024 747 V CA -0.623 61.737 62.300 0.100 0.000 0.861 747 V CB 1.661 33.531 31.823 0.078 0.000 0.985 747 V HN 0.657 nan 8.190 nan 0.000 0.436 748 V N 6.419 126.437 119.914 0.175 0.000 2.604 748 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 748 V C -0.393 175.761 176.094 0.099 0.000 1.043 748 V CA -0.701 61.639 62.300 0.066 0.000 0.888 748 V CB 1.867 33.739 31.823 0.080 0.000 0.995 748 V HN 0.998 nan 8.190 nan 0.000 0.429 749 H N 4.285 123.329 119.070 -0.043 0.000 2.620 749 H HA 0.595 5.151 4.556 -0.000 0.000 0.313 749 H C -0.242 175.004 175.328 -0.136 0.000 1.075 749 H CA -0.576 55.424 56.048 -0.081 0.000 1.397 749 H CB 0.851 30.554 29.762 -0.099 0.000 1.446 749 H HN 0.420 nan 8.280 nan 0.000 0.493 750 R N 2.765 123.269 120.500 0.005 0.000 2.518 750 R HA 0.062 4.402 4.340 -0.000 0.000 0.296 750 R C 0.009 176.322 176.300 0.021 0.000 1.080 750 R CA -0.491 55.573 56.100 -0.060 0.000 0.922 750 R CB 1.591 31.781 30.300 -0.184 0.000 1.184 750 R HN 0.764 nan 8.270 nan 0.000 0.445 751 E N 1.344 121.554 120.200 0.016 0.000 2.510 751 E HA -0.163 4.187 4.350 -0.000 0.000 0.202 751 E C 0.576 177.287 176.600 0.184 0.000 1.072 751 E CA 1.008 57.488 56.400 0.134 0.000 0.883 751 E CB 0.266 30.009 29.700 0.073 0.000 0.818 751 E HN 0.545 nan 8.360 nan 0.000 0.548 752 D N -0.370 120.110 120.400 0.134 0.000 2.379 752 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 752 D C 0.490 176.919 176.300 0.214 0.000 1.065 752 D CA 0.014 54.105 54.000 0.152 0.000 0.848 752 D CB 0.262 41.147 40.800 0.142 0.000 0.949 752 D HN -0.112 nan 8.370 nan 0.000 0.509 753 V N 3.747 123.797 119.914 0.226 0.000 2.508 753 V HA 0.163 4.283 4.120 -0.000 0.000 0.281 753 V C -1.946 174.183 176.094 0.059 0.000 1.041 753 V CA -1.284 61.151 62.300 0.226 0.000 1.016 753 V CB 0.796 32.724 31.823 0.174 0.000 0.984 753 V HN 0.059 nan 8.190 nan 0.000 0.478 754 P HA 0.024 nan 4.420 nan 0.000 0.262 754 P C -0.325 176.778 177.300 -0.330 0.000 1.182 754 P CA -0.253 62.765 63.100 -0.137 0.000 0.761 754 P CB 0.557 32.238 31.700 -0.031 0.000 0.795 755 K N 2.537 122.720 120.400 -0.362 0.000 2.489 755 K HA 0.241 4.561 4.320 -0.000 0.000 0.278 755 K C 1.419 177.730 176.600 -0.483 0.000 1.000 755 K CA 1.431 57.506 56.287 -0.353 0.000 1.012 755 K CB -0.733 31.569 32.500 -0.330 0.000 0.903 755 K HN 0.765 nan 8.250 nan 0.000 0.485 756 G N 2.639 111.254 108.800 -0.309 0.000 2.179 756 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 756 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 756 G C -0.469 174.293 174.900 -0.231 0.000 1.010 756 G CA 0.719 45.665 45.100 -0.257 0.000 0.736 756 G HN 0.811 nan 8.290 nan 0.000 0.513 757 H N -1.907 117.039 119.070 -0.208 0.000 2.771 757 H HA 0.745 5.300 4.556 -0.000 0.000 0.367 757 H C -0.573 174.551 175.328 -0.340 0.000 1.172 757 H CA -1.330 54.546 56.048 -0.287 0.000 1.186 757 H CB 1.684 31.260 29.762 -0.310 0.000 1.790 757 H HN 0.108 nan 8.280 nan 0.000 0.556 758 L N 1.839 122.919 121.223 -0.239 0.000 2.381 758 L HA 0.269 4.609 4.340 -0.000 0.000 0.274 758 L C -1.152 175.753 176.870 0.058 0.000 0.988 758 L CA -0.377 54.362 54.840 -0.170 0.000 0.824 758 L CB 1.068 42.972 42.059 -0.258 0.000 1.263 758 L HN 0.580 nan 8.230 nan 0.000 0.410 759 Y N 3.728 124.129 120.300 0.168 0.000 2.383 759 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 759 Y C -0.136 175.724 175.900 -0.068 0.000 0.986 759 Y CA -0.777 57.375 58.100 0.087 0.000 1.175 759 Y CB 1.563 40.050 38.460 0.045 0.000 1.152 759 Y HN 0.402 nan 8.280 nan 0.000 0.511 760 L N 3.056 124.347 121.223 0.113 0.000 2.309 760 L HA 0.351 4.691 4.340 -0.000 0.000 0.282 760 L C 0.273 176.986 176.870 -0.261 0.000 1.036 760 L CA -0.129 54.672 54.840 -0.064 0.000 0.806 760 L CB 1.761 43.809 42.059 -0.017 0.000 1.220 760 L HN 0.464 nan 8.230 nan 0.000 0.429 761 S N 3.883 119.398 115.700 -0.309 0.000 2.519 761 S HA 0.287 4.757 4.470 -0.000 0.000 0.310 761 S C 0.472 174.913 174.600 -0.264 0.000 1.201 761 S CA -0.225 57.778 58.200 -0.329 0.000 1.179 761 S CB -0.439 62.606 63.200 -0.258 0.000 1.104 761 S HN 0.745 nan 8.310 nan 0.000 0.527 762 A N 6.509 129.147 122.820 -0.304 0.000 2.981 762 A HA 0.299 4.619 4.320 -0.000 0.000 0.280 762 A C 0.925 178.363 177.584 -0.243 0.000 1.743 762 A CA -0.283 51.578 52.037 -0.292 0.000 1.430 762 A CB -0.562 18.228 19.000 -0.350 0.000 1.085 762 A HN 0.934 nan 8.150 nan 0.000 0.597 763 L N 1.448 122.551 121.223 -0.199 0.000 2.693 763 L HA 0.139 4.479 4.340 -0.000 0.000 0.242 763 L C 1.401 178.171 176.870 -0.168 0.000 1.157 763 L CA 0.258 55.004 54.840 -0.156 0.000 0.929 763 L CB -0.441 41.544 42.059 -0.123 0.000 1.103 763 L HN 0.685 nan 8.230 nan 0.000 0.430 764 G N -0.232 108.437 108.800 -0.219 0.000 3.217 764 G HA2 0.440 4.400 3.960 -0.000 0.000 0.213 764 G HA3 0.440 4.400 3.960 -0.000 0.000 0.213 764 G C -2.322 172.377 174.900 -0.334 0.000 1.294 764 G CA -0.373 44.576 45.100 -0.253 0.000 0.987 764 G HN -0.116 nan 8.290 nan 0.000 0.584 765 P HA 0.322 nan 4.420 nan 0.000 0.254 765 P C -0.045 177.004 177.300 -0.419 0.000 1.620 765 P CA 0.166 62.977 63.100 -0.482 0.000 1.050 765 P CB 0.947 32.228 31.700 -0.697 0.000 1.539 766 A N -0.375 122.220 122.820 -0.375 0.000 2.701 766 A HA 0.646 4.966 4.320 -0.000 0.000 0.297 766 A C 0.864 178.243 177.584 -0.340 0.000 1.197 766 A CA -0.419 51.413 52.037 -0.341 0.000 0.963 766 A CB -0.190 18.325 19.000 -0.809 0.000 1.175 766 A HN 0.269 nan 8.150 nan 0.000 0.531 767 A N -1.057 121.600 122.820 -0.272 0.000 2.304 767 A HA 0.562 4.882 4.320 -0.000 0.000 0.271 767 A C 1.371 178.834 177.584 -0.202 0.000 1.091 767 A CA 0.306 52.178 52.037 -0.276 0.000 0.812 767 A CB -0.218 18.640 19.000 -0.237 0.000 1.056 767 A HN 1.961 nan 8.150 nan 0.000 0.489 768 G N -0.643 107.983 108.800 -0.291 0.000 2.198 768 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.257 768 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.257 768 G C -0.273 174.651 174.900 0.040 0.000 1.042 768 G CA 0.534 45.589 45.100 -0.075 0.000 0.791 768 G HN 0.745 nan 8.290 nan 0.000 0.502 769 L N -0.737 120.429 121.223 -0.096 0.000 2.354 769 L HA 0.675 5.015 4.340 -0.000 0.000 0.269 769 L C 0.638 177.595 176.870 0.144 0.000 1.005 769 L CA -1.194 53.677 54.840 0.051 0.000 0.819 769 L CB 1.727 43.794 42.059 0.013 0.000 1.311 769 L HN 0.149 nan 8.230 nan 0.000 0.423 770 R N 2.153 122.770 120.500 0.196 0.000 2.338 770 R HA 0.764 5.104 4.340 -0.000 0.000 0.317 770 R C -1.254 175.140 176.300 0.157 0.000 0.968 770 R CA -0.630 55.595 56.100 0.209 0.000 0.849 770 R CB 1.864 32.259 30.300 0.158 0.000 1.128 770 R HN 0.335 nan 8.270 nan 0.000 0.448 771 V N -0.064 119.961 119.914 0.185 0.000 3.232 771 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 771 V C -0.348 175.870 176.094 0.206 0.000 1.311 771 V CA -1.316 61.078 62.300 0.158 0.000 1.061 771 V CB 2.202 34.117 31.823 0.154 0.000 1.085 771 V HN 0.575 nan 8.190 nan 0.000 0.447 772 E N 0.693 120.976 120.200 0.139 0.000 2.322 772 E HA 0.794 5.144 4.350 -0.000 0.000 0.257 772 E C 0.297 176.993 176.600 0.160 0.000 1.155 772 E CA 0.553 57.059 56.400 0.178 0.000 0.936 772 E CB 1.477 31.227 29.700 0.082 0.000 1.130 772 E HN 1.322 nan 8.360 nan 0.000 0.465 773 G N -0.161 108.766 108.800 0.211 0.000 2.361 773 G HA2 0.309 4.269 3.960 -0.000 0.000 0.305 773 G HA3 0.309 4.269 3.960 -0.000 0.000 0.305 773 G C -1.258 173.837 174.900 0.326 0.000 1.367 773 G CA -0.571 44.552 45.100 0.039 0.000 0.951 773 G HN 0.551 nan 8.290 nan 0.000 0.615 774 R N -1.629 118.961 120.500 0.149 0.000 2.762 774 R HA 0.697 5.037 4.340 -0.000 0.000 0.271 774 R C -1.605 174.791 176.300 0.160 0.000 1.038 774 R CA -0.669 55.597 56.100 0.276 0.000 0.906 774 R CB 0.734 31.131 30.300 0.162 0.000 1.259 774 R HN 1.035 nan 8.270 nan 0.000 0.457 775 V N 3.003 123.020 119.914 0.171 0.000 2.334 775 V HA 0.300 4.420 4.120 -0.000 0.000 0.267 775 V C 0.692 176.822 176.094 0.060 0.000 1.040 775 V CA -0.732 61.633 62.300 0.108 0.000 0.866 775 V CB 0.615 32.509 31.823 0.119 0.000 1.019 775 V HN 0.431 nan 8.190 nan 0.000 0.468 776 L N 5.743 126.986 121.223 0.033 0.000 2.439 776 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 776 L C 0.028 176.910 176.870 0.020 0.000 1.179 776 L CA -0.145 54.707 54.840 0.020 0.000 0.828 776 L CB 0.385 42.447 42.059 0.005 0.000 1.106 776 L HN 0.348 nan 8.230 nan 0.000 0.467 777 V N 0.000 119.924 119.914 0.016 0.000 2.409 777 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 777 V CA 0.000 62.308 62.300 0.014 0.000 1.235 777 V CB 0.000 31.832 31.823 0.016 0.000 1.184 777 V HN 0.000 nan 8.190 nan 0.000 0.556