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 3c4y_1_A DATA FIRST_RESID 30 DATA SEQUENCE SRDRKYLARL KLPPLSKCEA LRESLDLGFE GMCLEQPIGK RLFQQFLRTH DATA SEQUENCE EQHGPALQLW KDIEDYDTAD DALRPQKAQA LRAAYLEPQA QLFCSFLDAE DATA SEQUENCE TVARARAGXX XXLFQPLLRA VLAHLGQAPF QEFLDSLYFL RFLQWKWLEA DATA SEQUENCE QPMGEDWFLD FRVLGRGGFG EVFACQMKAT GKLYACKKLN KKRLKKRKGY DATA SEQUENCE QGAMVEKKIL AKVHSRFIVS LAYAFETKTD LCLVMTIMNG GDIRYHIYNV DATA SEQUENCE DEDNPGFQEP RAIFYTAQIV SGLEHLHQRN IIYRDLKPEN VLLDDDGNVR DATA SEQUENCE ISDLGLAVEL KAGQTKTKGY AGTPGFMAPE LLLGEEYDFS VDYFALGVTL DATA SEQUENCE YEMIAARGPF RARGXXVENK ELKQRVLEQA VTYPDKFSPA SKDFCEALLQ DATA SEQUENCE KDPEKRLGFR DGSCDGLRTH PLFRDISWRQ LEAGMLTPPF VPDSRXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAFEKAD TEFFQEFASG TCPIPWQEEM IETGVFGDLN DATA SEQUENCE VWR 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.593 174.600 -0.012 0.000 1.055 30 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 30 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 31 R N 0.084 120.578 120.500 -0.009 0.000 2.686 31 R HA 0.643 4.983 4.340 0.001 0.000 0.283 31 R C -1.751 174.548 176.300 -0.003 0.000 0.978 31 R CA -0.733 55.365 56.100 -0.003 0.000 0.897 31 R CB 1.854 32.159 30.300 0.007 0.000 1.192 31 R HN 0.753 nan 8.270 nan 0.000 0.457 32 D N 0.472 120.873 120.400 0.002 0.000 2.277 32 D HA 0.283 4.923 4.640 0.001 0.000 0.250 32 D C 0.494 176.812 176.300 0.029 0.000 1.032 32 D CA -0.411 53.597 54.000 0.014 0.000 0.947 32 D CB 1.334 42.143 40.800 0.016 0.000 1.159 32 D HN 0.475 nan 8.370 nan 0.000 0.460 33 R N 1.678 122.193 120.500 0.025 0.000 2.167 33 R HA 0.170 4.511 4.340 0.001 0.000 0.195 33 R C 1.840 178.139 176.300 -0.001 0.000 1.027 33 R CA -0.243 55.865 56.100 0.013 0.000 1.114 33 R CB -0.089 30.209 30.300 -0.003 0.000 1.075 33 R HN 0.285 nan 8.270 nan 0.000 0.538 34 K N 0.720 121.103 120.400 -0.029 0.000 2.097 34 K HA -0.131 4.190 4.320 0.001 0.000 0.206 34 K C 1.295 177.769 176.600 -0.211 0.000 1.049 34 K CA 1.502 57.715 56.287 -0.125 0.000 0.933 34 K CB -0.033 32.361 32.500 -0.177 0.000 0.717 34 K HN 0.158 nan 8.250 nan 0.000 0.442 35 Y N -0.268 119.938 120.300 -0.157 0.000 2.475 35 Y HA -0.040 4.511 4.550 0.001 0.000 0.289 35 Y C 1.681 177.562 175.900 -0.031 0.000 1.121 35 Y CA 0.234 58.203 58.100 -0.219 0.000 1.257 35 Y CB 0.276 38.563 38.460 -0.288 0.000 1.026 35 Y HN 0.062 nan 8.280 nan 0.000 0.555 36 L N -0.656 120.646 121.223 0.131 0.000 2.395 36 L HA 0.087 4.427 4.340 0.001 0.000 0.218 36 L C 2.165 179.090 176.870 0.092 0.000 1.130 36 L CA 1.053 55.968 54.840 0.126 0.000 0.826 36 L CB -0.658 41.452 42.059 0.086 0.000 0.941 36 L HN 0.125 nan 8.230 nan 0.000 0.451 37 A N -1.002 121.841 122.820 0.039 0.000 2.016 37 A HA -0.060 4.260 4.320 0.001 0.000 0.217 37 A C 2.120 179.726 177.584 0.038 0.000 1.162 37 A CA 0.541 52.587 52.037 0.015 0.000 0.662 37 A CB -0.341 18.640 19.000 -0.033 0.000 0.812 37 A HN 0.353 nan 8.150 nan 0.000 0.450 38 R N -0.352 120.185 120.500 0.062 0.000 2.340 38 R HA 0.164 4.505 4.340 0.001 0.000 0.215 38 R C -0.847 175.586 176.300 0.221 0.000 1.017 38 R CA 0.259 56.442 56.100 0.138 0.000 1.111 38 R CB -0.387 30.023 30.300 0.183 0.000 1.049 38 R HN 0.414 nan 8.270 nan 0.000 0.490 39 L N 0.925 122.254 121.223 0.176 0.000 2.454 39 L HA 0.397 4.738 4.340 0.001 0.000 0.258 39 L C -0.526 176.409 176.870 0.108 0.000 1.025 39 L CA -0.473 54.471 54.840 0.174 0.000 0.901 39 L CB 1.174 43.351 42.059 0.197 0.000 1.210 39 L HN -0.156 nan 8.230 nan 0.000 0.457 40 K N 2.435 122.901 120.400 0.110 0.000 2.281 40 K HA 0.694 5.015 4.320 0.001 0.000 0.242 40 K C -0.814 175.782 176.600 -0.006 0.000 0.971 40 K CA -0.977 55.331 56.287 0.035 0.000 0.834 40 K CB 2.895 35.410 32.500 0.025 0.000 1.181 40 K HN 0.318 nan 8.250 nan 0.000 0.435 41 L N 3.790 124.949 121.223 -0.106 0.000 2.313 41 L HA 0.282 4.623 4.340 0.001 0.000 0.282 41 L C -1.669 175.069 176.870 -0.220 0.000 1.092 41 L CA -1.593 53.130 54.840 -0.195 0.000 0.831 41 L CB 0.087 42.015 42.059 -0.218 0.000 1.159 41 L HN 0.439 nan 8.230 nan 0.000 0.442 42 P HA 0.511 nan 4.420 nan 0.000 0.284 42 P C -2.649 174.423 177.300 -0.380 0.000 1.292 42 P CA -1.402 61.395 63.100 -0.505 0.000 0.800 42 P CB 0.200 31.240 31.700 -1.101 0.000 1.188 43 P HA 0.315 nan 4.420 nan 0.000 0.318 43 P C 0.462 177.599 177.300 -0.272 0.000 1.309 43 P CA -0.221 62.722 63.100 -0.261 0.000 0.736 43 P CB 0.453 32.027 31.700 -0.211 0.000 1.440 44 L N -1.443 119.665 121.223 -0.192 0.000 2.781 44 L HA 0.157 4.497 4.340 0.001 0.000 0.245 44 L C 1.631 178.426 176.870 -0.125 0.000 1.118 44 L CA 0.394 55.140 54.840 -0.157 0.000 0.918 44 L CB -0.125 41.869 42.059 -0.109 0.000 1.246 44 L HN 0.147 nan 8.230 nan 0.000 0.526 45 S N 0.114 115.742 115.700 -0.119 0.000 2.561 45 S HA 0.001 4.472 4.470 0.001 0.000 0.225 45 S C 1.697 176.249 174.600 -0.081 0.000 0.977 45 S CA 0.738 58.889 58.200 -0.082 0.000 0.926 45 S CB 0.037 63.196 63.200 -0.068 0.000 0.769 45 S HN 0.350 nan 8.310 nan 0.000 0.533 46 K N 0.211 120.532 120.400 -0.132 0.000 2.242 46 K HA 0.161 4.482 4.320 0.001 0.000 0.200 46 K C 0.469 177.038 176.600 -0.052 0.000 1.050 46 K CA 0.371 56.595 56.287 -0.105 0.000 0.981 46 K CB 0.096 32.456 32.500 -0.233 0.000 0.795 46 K HN 0.188 nan 8.250 nan 0.000 0.477 47 C N 2.559 121.802 119.300 -0.095 0.000 3.305 47 C HA 0.162 4.622 4.460 0.001 0.000 0.566 47 C C 1.017 176.008 174.990 0.002 0.000 1.178 47 C CA 0.029 59.030 59.018 -0.029 0.000 1.317 47 C CB -1.851 25.843 27.740 -0.077 0.000 1.634 47 C HN 0.414 nan 8.230 nan 0.000 0.643 48 E N 0.173 120.383 120.200 0.018 0.000 2.441 48 E HA 0.082 4.432 4.350 0.001 0.000 0.212 48 E C 2.081 178.704 176.600 0.038 0.000 0.840 48 E CA 0.219 56.635 56.400 0.027 0.000 1.143 48 E CB 0.181 29.888 29.700 0.012 0.000 1.153 48 E HN 0.595 nan 8.360 nan 0.000 0.539 49 A N 0.857 123.703 122.820 0.043 0.000 2.119 49 A HA -0.066 4.254 4.320 0.001 0.000 0.217 49 A C 1.877 179.491 177.584 0.049 0.000 1.153 49 A CA 0.803 52.866 52.037 0.044 0.000 0.692 49 A CB -0.135 18.892 19.000 0.047 0.000 0.799 49 A HN 0.049 nan 8.150 nan 0.000 0.458 50 L N -0.840 120.421 121.223 0.064 0.000 2.131 50 L HA 0.079 4.420 4.340 0.001 0.000 0.206 50 L C 2.366 179.285 176.870 0.080 0.000 1.087 50 L CA 1.579 56.462 54.840 0.071 0.000 0.767 50 L CB -0.765 41.347 42.059 0.088 0.000 0.917 50 L HN 0.390 nan 8.230 nan 0.000 0.441 51 R N 0.020 120.570 120.500 0.084 0.000 2.103 51 R HA -0.220 4.121 4.340 0.001 0.000 0.242 51 R C 2.048 178.388 176.300 0.067 0.000 1.142 51 R CA 1.841 57.998 56.100 0.095 0.000 0.960 51 R CB 0.087 30.437 30.300 0.083 0.000 0.858 51 R HN 0.361 nan 8.270 nan 0.000 0.439 52 E N -0.880 119.349 120.200 0.048 0.000 2.102 52 E HA -0.057 4.293 4.350 0.001 0.000 0.190 52 E C 1.901 178.520 176.600 0.032 0.000 0.971 52 E CA 1.253 57.673 56.400 0.034 0.000 0.821 52 E CB 0.158 29.873 29.700 0.025 0.000 0.777 52 E HN 0.356 nan 8.360 nan 0.000 0.460 53 S N 0.109 115.828 115.700 0.032 0.000 2.481 53 S HA 0.020 4.491 4.470 0.001 0.000 0.231 53 S C 0.811 175.427 174.600 0.027 0.000 0.996 53 S CA 0.157 58.372 58.200 0.024 0.000 0.942 53 S CB -0.108 63.103 63.200 0.018 0.000 0.768 53 S HN 0.022 nan 8.310 nan 0.000 0.520 54 L N 2.360 123.608 121.223 0.042 0.000 2.343 54 L HA 0.426 4.767 4.340 0.001 0.000 0.275 54 L C -0.531 176.371 176.870 0.053 0.000 1.056 54 L CA -0.489 54.381 54.840 0.050 0.000 0.804 54 L CB 1.300 43.404 42.059 0.075 0.000 1.203 54 L HN 0.305 nan 8.230 nan 0.000 0.440 55 D N 2.485 122.913 120.400 0.047 0.000 2.940 55 D HA 0.124 4.764 4.640 0.001 0.000 0.366 55 D C -0.297 176.030 176.300 0.045 0.000 1.446 55 D CA -0.308 53.717 54.000 0.042 0.000 0.780 55 D CB -0.229 40.587 40.800 0.026 0.000 1.206 55 D HN 0.196 nan 8.370 nan 0.000 0.454 56 L N 1.539 122.801 121.223 0.066 0.000 2.678 56 L HA 0.299 4.640 4.340 0.001 0.000 0.276 56 L C 1.264 178.170 176.870 0.060 0.000 1.142 56 L CA -0.103 54.774 54.840 0.061 0.000 0.961 56 L CB 0.247 42.362 42.059 0.093 0.000 1.291 56 L HN 0.251 nan 8.230 nan 0.000 0.476 57 G N 1.951 110.768 108.800 0.029 0.000 2.491 57 G HA2 -0.046 3.914 3.960 0.001 0.000 0.242 57 G HA3 -0.046 3.914 3.960 0.001 0.000 0.242 57 G C 0.610 175.505 174.900 -0.008 0.000 1.266 57 G CA -0.443 44.672 45.100 0.026 0.000 0.844 57 G HN 0.635 nan 8.290 nan 0.000 0.571 58 F N 0.852 120.650 119.950 -0.255 0.000 2.068 58 F HA -0.342 4.185 4.527 0.001 0.000 0.289 58 F C 2.366 177.961 175.800 -0.341 0.000 1.089 58 F CA 2.833 60.530 58.000 -0.506 0.000 1.263 58 F CB -0.352 38.258 39.000 -0.649 0.000 0.955 58 F HN 0.702 nan 8.300 nan 0.000 0.501 59 E N -0.698 119.302 120.200 -0.334 0.000 2.085 59 E HA -0.172 4.178 4.350 0.001 0.000 0.194 59 E C 2.322 178.744 176.600 -0.297 0.000 0.994 59 E CA 1.170 57.342 56.400 -0.381 0.000 0.801 59 E CB -0.835 28.762 29.700 -0.173 0.000 0.743 59 E HN 0.546 nan 8.360 nan 0.000 0.453 60 G N 0.313 109.005 108.800 -0.180 0.000 2.679 60 G HA2 -0.117 3.843 3.960 0.001 0.000 0.212 60 G HA3 -0.117 3.843 3.960 0.001 0.000 0.212 60 G C 1.079 175.920 174.900 -0.098 0.000 1.137 60 G CA 0.332 45.367 45.100 -0.108 0.000 0.787 60 G HN 0.199 nan 8.290 nan 0.000 0.534 61 M N -0.938 118.560 119.600 -0.169 0.000 2.547 61 M HA 0.149 4.630 4.480 0.001 0.000 0.151 61 M C 2.100 178.261 176.300 -0.232 0.000 1.481 61 M CA 0.260 55.482 55.300 -0.130 0.000 1.387 61 M CB -0.188 32.363 32.600 -0.082 0.000 0.782 61 M HN 0.065 nan 8.290 nan 0.000 0.480 62 C N 1.594 120.676 119.300 -0.363 0.000 2.440 62 C HA -0.023 4.437 4.460 0.001 0.000 0.278 62 C C 2.719 177.515 174.990 -0.324 0.000 1.295 62 C CA 0.665 59.471 59.018 -0.352 0.000 1.738 62 C CB -1.236 26.287 27.740 -0.362 0.000 1.987 62 C HN 0.601 nan 8.230 nan 0.000 0.492 63 L N 0.189 121.139 121.223 -0.456 0.000 2.201 63 L HA -0.128 4.212 4.340 0.001 0.000 0.212 63 L C 2.354 179.109 176.870 -0.192 0.000 1.105 63 L CA 1.596 56.213 54.840 -0.371 0.000 0.775 63 L CB -0.657 41.113 42.059 -0.482 0.000 0.913 63 L HN 0.519 nan 8.230 nan 0.000 0.440 64 E N -0.740 119.356 120.200 -0.173 0.000 2.256 64 E HA 0.035 4.386 4.350 0.001 0.000 0.198 64 E C 0.425 176.989 176.600 -0.059 0.000 0.908 64 E CA -0.088 56.259 56.400 -0.089 0.000 0.915 64 E CB 0.380 30.032 29.700 -0.080 0.000 0.890 64 E HN 0.445 nan 8.360 nan 0.000 0.484 65 Q N 1.993 121.761 119.800 -0.054 0.000 2.361 65 Q HA 0.088 4.428 4.340 0.001 0.000 0.250 65 Q C -2.039 173.959 176.000 -0.003 0.000 1.023 65 Q CA -1.653 54.161 55.803 0.019 0.000 0.915 65 Q CB 1.203 30.024 28.738 0.139 0.000 1.238 65 Q HN 0.012 nan 8.270 nan 0.000 0.451 66 P HA -0.161 nan 4.420 nan 0.000 0.218 66 P C 0.670 177.904 177.300 -0.109 0.000 1.149 66 P CA 1.160 64.223 63.100 -0.062 0.000 0.817 66 P CB 0.244 31.893 31.700 -0.085 0.000 0.785 67 I N -1.074 119.466 120.570 -0.051 0.000 2.394 67 I HA -0.117 4.054 4.170 0.001 0.000 0.251 67 I C 2.386 178.557 176.117 0.089 0.000 1.136 67 I CA 1.427 62.690 61.300 -0.061 0.000 1.425 67 I CB -1.016 37.019 38.000 0.058 0.000 1.079 67 I HN 0.016 nan 8.210 nan 0.000 0.425 68 G N 0.908 109.681 108.800 -0.044 0.000 2.454 68 G HA2 -0.251 3.710 3.960 0.001 0.000 0.214 68 G HA3 -0.251 3.710 3.960 0.001 0.000 0.214 68 G C 1.598 176.362 174.900 -0.225 0.000 1.217 68 G CA 0.696 45.491 45.100 -0.509 0.000 0.799 68 G HN 0.239 nan 8.290 nan 0.000 0.538 69 K N 0.054 120.363 120.400 -0.151 0.000 2.044 69 K HA -0.322 3.999 4.320 0.001 0.000 0.224 69 K C 2.538 179.126 176.600 -0.019 0.000 1.056 69 K CA 2.265 58.505 56.287 -0.078 0.000 0.962 69 K CB -0.206 32.283 32.500 -0.017 0.000 0.730 69 K HN 0.206 nan 8.250 nan 0.000 0.453 70 R N 0.406 120.888 120.500 -0.031 0.000 2.066 70 R HA 0.006 4.347 4.340 0.001 0.000 0.232 70 R C 2.400 178.766 176.300 0.110 0.000 1.131 70 R CA 1.367 57.471 56.100 0.007 0.000 0.955 70 R CB -0.310 29.903 30.300 -0.145 0.000 0.851 70 R HN 0.287 nan 8.270 nan 0.000 0.432 71 L N -0.513 120.809 121.223 0.165 0.000 2.042 71 L HA -0.187 4.154 4.340 0.001 0.000 0.210 71 L C 2.168 179.288 176.870 0.417 0.000 1.076 71 L CA 1.132 56.221 54.840 0.415 0.000 0.749 71 L CB -0.445 41.951 42.059 0.563 0.000 0.893 71 L HN 0.242 nan 8.230 nan 0.000 0.432 72 F N 0.595 120.461 119.950 -0.140 0.000 2.234 72 F HA -0.140 4.388 4.527 0.001 0.000 0.296 72 F C 2.544 178.251 175.800 -0.156 0.000 1.089 72 F CA 1.145 58.857 58.000 -0.479 0.000 1.343 72 F CB -0.478 37.959 39.000 -0.938 0.000 1.040 72 F HN 0.055 nan 8.300 nan 0.000 0.498 73 Q N 0.010 119.737 119.800 -0.122 0.000 2.029 73 Q HA -0.313 4.028 4.340 0.001 0.000 0.209 73 Q C 2.226 178.184 176.000 -0.071 0.000 0.999 73 Q CA 2.450 58.201 55.803 -0.088 0.000 0.857 73 Q CB -0.442 28.340 28.738 0.074 0.000 0.926 73 Q HN 0.538 nan 8.270 nan 0.000 0.415 74 Q N -0.722 119.086 119.800 0.013 0.000 2.234 74 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 74 Q C 1.791 177.547 176.000 -0.406 0.000 0.980 74 Q CA 1.014 56.802 55.803 -0.026 0.000 0.869 74 Q CB -0.130 28.739 28.738 0.219 0.000 0.912 74 Q HN 0.346 nan 8.270 nan 0.000 0.436 75 F N 0.622 120.216 119.950 -0.594 0.000 2.206 75 F HA -0.085 4.442 4.527 0.001 0.000 0.298 75 F C 1.523 177.168 175.800 -0.259 0.000 1.090 75 F CA 0.954 58.559 58.000 -0.659 0.000 1.323 75 F CB 0.124 39.105 39.000 -0.031 0.000 1.028 75 F HN -0.057 nan 8.300 nan 0.000 0.492 76 L N -0.282 120.785 121.223 -0.260 0.000 2.554 76 L HA 0.023 4.364 4.340 0.001 0.000 0.226 76 L C 2.395 179.188 176.870 -0.128 0.000 1.137 76 L CA 0.429 55.137 54.840 -0.219 0.000 0.863 76 L CB -0.548 41.368 42.059 -0.237 0.000 0.985 76 L HN 0.103 nan 8.230 nan 0.000 0.451 77 R N 0.253 120.678 120.500 -0.125 0.000 2.080 77 R HA -0.095 4.246 4.340 0.001 0.000 0.222 77 R C 2.484 178.752 176.300 -0.053 0.000 1.107 77 R CA 1.772 57.839 56.100 -0.054 0.000 0.980 77 R CB 0.011 30.301 30.300 -0.017 0.000 0.879 77 R HN 0.392 nan 8.270 nan 0.000 0.439 78 T N -2.265 112.247 114.554 -0.069 0.000 2.978 78 T HA -0.023 4.327 4.350 0.001 0.000 0.262 78 T C 0.373 174.963 174.700 -0.184 0.000 1.063 78 T CA 0.453 62.508 62.100 -0.076 0.000 1.140 78 T CB -0.298 68.569 68.868 -0.001 0.000 0.886 78 T HN 0.169 nan 8.240 nan 0.000 0.470 79 H N 2.035 120.929 119.070 -0.294 0.000 3.015 79 H HA 0.394 4.951 4.556 0.001 0.000 0.268 79 H C 0.885 176.099 175.328 -0.189 0.000 1.113 79 H CA -0.257 55.616 56.048 -0.291 0.000 1.479 79 H CB 0.804 30.244 29.762 -0.536 0.000 1.493 79 H HN 0.378 nan 8.280 nan 0.000 0.486 80 E N 1.955 122.105 120.200 -0.083 0.000 2.274 80 E HA -0.169 4.182 4.350 0.001 0.000 0.194 80 E C 1.802 178.358 176.600 -0.074 0.000 0.996 80 E CA 0.522 56.884 56.400 -0.063 0.000 0.840 80 E CB 0.177 29.842 29.700 -0.058 0.000 0.772 80 E HN 0.705 nan 8.360 nan 0.000 0.491 81 Q N 0.184 119.891 119.800 -0.156 0.000 2.369 81 Q HA -0.127 4.213 4.340 0.001 0.000 0.206 81 Q C 0.264 176.045 176.000 -0.364 0.000 0.963 81 Q CA 1.116 56.749 55.803 -0.282 0.000 0.894 81 Q CB 0.052 28.544 28.738 -0.410 0.000 0.965 81 Q HN 0.454 nan 8.270 nan 0.000 0.475 82 H N -0.009 119.088 119.070 0.045 0.000 2.528 82 H HA 0.336 4.893 4.556 0.001 0.000 0.256 82 H C 1.099 176.444 175.328 0.028 0.000 1.204 82 H CA 0.239 56.311 56.048 0.040 0.000 0.955 82 H CB 0.606 30.349 29.762 -0.033 0.000 1.817 82 H HN 0.344 nan 8.280 nan 0.000 0.579 83 G N 1.939 110.805 108.800 0.110 0.000 2.424 83 G HA2 -0.127 3.834 3.960 0.001 0.000 0.214 83 G HA3 -0.127 3.834 3.960 0.001 0.000 0.214 83 G C -0.618 174.366 174.900 0.140 0.000 1.202 83 G CA 0.186 45.344 45.100 0.096 0.000 0.793 83 G HN 0.267 nan 8.290 nan 0.000 0.534 84 P HA -0.104 nan 4.420 nan 0.000 0.217 84 P C 2.055 179.455 177.300 0.168 0.000 1.151 84 P CA 2.107 65.332 63.100 0.208 0.000 0.849 84 P CB -0.098 31.712 31.700 0.184 0.000 0.787 85 A N -1.402 121.562 122.820 0.241 0.000 1.968 85 A HA -0.104 4.217 4.320 0.001 0.000 0.217 85 A C 2.050 179.722 177.584 0.147 0.000 1.169 85 A CA 1.005 53.189 52.037 0.244 0.000 0.638 85 A CB -1.404 17.797 19.000 0.336 0.000 0.812 85 A HN 0.133 nan 8.150 nan 0.000 0.446 86 L N -0.553 120.751 121.223 0.135 0.000 1.973 86 L HA -0.122 4.219 4.340 0.001 0.000 0.208 86 L C 2.318 179.294 176.870 0.178 0.000 1.073 86 L CA 2.157 57.100 54.840 0.173 0.000 0.746 86 L CB -0.931 41.188 42.059 0.099 0.000 0.891 86 L HN 0.349 nan 8.230 nan 0.000 0.433 87 Q N -0.485 119.374 119.800 0.097 0.000 2.135 87 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 87 Q C 2.217 178.170 176.000 -0.078 0.000 0.981 87 Q CA 1.967 57.800 55.803 0.051 0.000 0.856 87 Q CB -0.646 28.177 28.738 0.142 0.000 0.902 87 Q HN 0.542 nan 8.270 nan 0.000 0.425 88 L N -0.029 121.062 121.223 -0.221 0.000 1.963 88 L HA -0.205 4.136 4.340 0.001 0.000 0.220 88 L C 2.069 178.823 176.870 -0.192 0.000 1.076 88 L CA 2.491 57.023 54.840 -0.514 0.000 0.772 88 L CB -1.273 40.546 42.059 -0.401 0.000 0.892 88 L HN 0.394 nan 8.230 nan 0.000 0.435 89 W N 0.804 122.004 121.300 -0.167 0.000 2.363 89 W HA -0.157 4.504 4.660 0.002 0.000 0.296 89 W C 2.431 178.911 176.519 -0.066 0.000 1.212 89 W CA 2.069 59.357 57.345 -0.095 0.000 1.260 89 W CB -0.244 29.177 29.460 -0.064 0.000 1.131 89 W HN 0.126 nan 8.180 nan 0.000 0.530 90 K N 0.031 120.158 120.400 -0.455 0.000 1.991 90 K HA -0.220 4.100 4.320 0.001 0.000 0.212 90 K C 1.600 177.972 176.600 -0.381 0.000 1.049 90 K CA 2.043 57.965 56.287 -0.609 0.000 0.932 90 K CB -0.571 31.749 32.500 -0.301 0.000 0.717 90 K HN 0.035 nan 8.250 nan 0.000 0.441 91 D N 0.546 120.821 120.400 -0.208 0.000 2.310 91 D HA -0.077 4.564 4.640 0.001 0.000 0.212 91 D C 1.755 178.008 176.300 -0.079 0.000 0.965 91 D CA 0.705 54.643 54.000 -0.103 0.000 0.879 91 D CB -0.016 40.774 40.800 -0.016 0.000 0.921 91 D HN 0.245 nan 8.370 nan 0.000 0.510 92 I N 0.678 121.171 120.570 -0.128 0.000 2.286 92 I HA -0.169 4.002 4.170 0.001 0.000 0.245 92 I C 2.281 178.389 176.117 -0.015 0.000 1.104 92 I CA 0.870 62.158 61.300 -0.020 0.000 1.397 92 I CB -0.066 37.947 38.000 0.022 0.000 1.072 92 I HN -0.062 nan 8.210 nan 0.000 0.417 93 E N 0.705 120.788 120.200 -0.195 0.000 2.204 93 E HA -0.220 4.130 4.350 0.001 0.000 0.194 93 E C 1.481 178.019 176.600 -0.104 0.000 0.989 93 E CA 1.113 57.408 56.400 -0.175 0.000 0.824 93 E CB 0.051 29.537 29.700 -0.358 0.000 0.756 93 E HN 0.456 nan 8.360 nan 0.000 0.477 94 D N -0.422 119.921 120.400 -0.095 0.000 2.149 94 D HA -0.148 4.493 4.640 0.001 0.000 0.201 94 D C 1.547 177.874 176.300 0.046 0.000 0.972 94 D CA 0.807 54.788 54.000 -0.032 0.000 0.835 94 D CB -0.259 40.524 40.800 -0.027 0.000 0.966 94 D HN 0.217 nan 8.370 nan 0.000 0.476 95 Y N 1.528 121.811 120.300 -0.029 0.000 2.337 95 Y HA -0.089 4.462 4.550 0.001 0.000 0.293 95 Y C 1.481 177.403 175.900 0.037 0.000 1.123 95 Y CA 1.048 59.159 58.100 0.019 0.000 1.201 95 Y CB 0.028 38.516 38.460 0.046 0.000 1.011 95 Y HN -0.204 nan 8.280 nan 0.000 0.545 96 D N -0.369 120.044 120.400 0.022 0.000 2.133 96 D HA -0.201 4.440 4.640 0.001 0.000 0.192 96 D C 2.032 178.270 176.300 -0.103 0.000 1.001 96 D CA 2.469 56.448 54.000 -0.035 0.000 0.844 96 D CB -0.611 40.210 40.800 0.034 0.000 0.944 96 D HN 0.538 nan 8.370 nan 0.000 0.447 97 T N -1.992 112.515 114.554 -0.078 0.000 3.081 97 T HA 0.456 4.806 4.350 0.001 0.000 0.250 97 T C 0.906 175.553 174.700 -0.089 0.000 1.100 97 T CA 0.126 62.186 62.100 -0.067 0.000 1.038 97 T CB 0.060 68.905 68.868 -0.037 0.000 0.962 97 T HN 0.160 nan 8.240 nan 0.000 0.516 98 A N 1.695 124.436 122.820 -0.132 0.000 2.536 98 A HA 0.312 4.633 4.320 0.001 0.000 0.234 98 A C 0.546 178.069 177.584 -0.102 0.000 1.076 98 A CA -0.249 51.726 52.037 -0.104 0.000 0.769 98 A CB -0.248 18.688 19.000 -0.106 0.000 1.020 98 A HN 0.394 nan 8.150 nan 0.000 0.508 99 D N -1.089 119.278 120.400 -0.055 0.000 2.356 99 D HA 0.264 4.905 4.640 0.001 0.000 0.258 99 D C 0.010 176.282 176.300 -0.046 0.000 1.279 99 D CA 0.293 54.266 54.000 -0.044 0.000 1.016 99 D CB 0.394 41.180 40.800 -0.023 0.000 1.107 99 D HN 0.467 nan 8.370 nan 0.000 0.544 100 D N -1.355 119.026 120.400 -0.031 0.000 2.431 100 D HA 0.339 4.980 4.640 0.001 0.000 0.213 100 D C 0.031 176.329 176.300 -0.002 0.000 1.130 100 D CA -0.018 53.968 54.000 -0.023 0.000 0.834 100 D CB 0.730 41.511 40.800 -0.030 0.000 0.985 100 D HN 0.233 nan 8.370 nan 0.000 0.504 101 A N -0.228 122.595 122.820 0.004 0.000 2.508 101 A HA 0.313 4.633 4.320 0.001 0.000 0.250 101 A C 1.070 178.672 177.584 0.029 0.000 1.208 101 A CA -0.086 51.960 52.037 0.015 0.000 0.960 101 A CB 0.161 19.165 19.000 0.007 0.000 1.099 101 A HN 0.185 nan 8.150 nan 0.000 0.542 102 L N -1.467 119.777 121.223 0.036 0.000 2.858 102 L HA 0.282 4.623 4.340 0.001 0.000 0.251 102 L C 2.092 179.029 176.870 0.111 0.000 1.149 102 L CA -0.047 54.828 54.840 0.058 0.000 0.955 102 L CB 0.107 42.191 42.059 0.042 0.000 1.289 102 L HN 0.264 nan 8.230 nan 0.000 0.542 103 R N 0.977 121.549 120.500 0.121 0.000 2.075 103 R HA -0.078 4.263 4.340 0.001 0.000 0.232 103 R C -0.459 176.039 176.300 0.329 0.000 1.126 103 R CA 1.283 57.545 56.100 0.269 0.000 0.963 103 R CB -0.979 29.404 30.300 0.137 0.000 0.858 103 R HN 0.223 nan 8.270 nan 0.000 0.435 104 P HA -0.206 nan 4.420 nan 0.000 0.216 104 P C 1.049 178.418 177.300 0.114 0.000 1.150 104 P CA 1.384 64.565 63.100 0.136 0.000 0.843 104 P CB 0.013 31.765 31.700 0.086 0.000 0.787 105 Q N -0.184 119.679 119.800 0.105 0.000 2.062 105 Q HA -0.112 4.229 4.340 0.001 0.000 0.196 105 Q C 2.000 178.049 176.000 0.081 0.000 0.967 105 Q CA 1.259 57.107 55.803 0.075 0.000 0.832 105 Q CB -0.178 28.595 28.738 0.058 0.000 0.899 105 Q HN 0.106 nan 8.270 nan 0.000 0.442 106 K N -0.061 120.421 120.400 0.136 0.000 2.211 106 K HA -0.093 4.227 4.320 0.001 0.000 0.203 106 K C 1.951 178.567 176.600 0.027 0.000 1.050 106 K CA 0.792 57.164 56.287 0.141 0.000 0.945 106 K CB -0.025 32.653 32.500 0.296 0.000 0.732 106 K HN 0.241 nan 8.250 nan 0.000 0.451 107 A N 1.323 124.154 122.820 0.019 0.000 1.855 107 A HA -0.221 4.100 4.320 0.001 0.000 0.215 107 A C 2.055 179.616 177.584 -0.039 0.000 1.191 107 A CA 1.313 53.296 52.037 -0.090 0.000 0.613 107 A CB -0.527 18.521 19.000 0.080 0.000 0.829 107 A HN 0.301 nan 8.150 nan 0.000 0.442 108 Q N -0.887 118.924 119.800 0.017 0.000 2.364 108 Q HA -0.037 4.303 4.340 0.001 0.000 0.207 108 Q C 2.007 177.998 176.000 -0.015 0.000 0.970 108 Q CA 0.968 56.776 55.803 0.009 0.000 0.888 108 Q CB -0.237 28.515 28.738 0.023 0.000 0.951 108 Q HN 0.670 nan 8.270 nan 0.000 0.469 109 A N 0.096 122.906 122.820 -0.017 0.000 1.874 109 A HA -0.068 4.253 4.320 0.001 0.000 0.214 109 A C 1.869 179.425 177.584 -0.047 0.000 1.189 109 A CA 0.595 52.617 52.037 -0.026 0.000 0.615 109 A CB -0.421 18.578 19.000 -0.001 0.000 0.830 109 A HN 0.402 nan 8.150 nan 0.000 0.443 110 L N -0.925 120.258 121.223 -0.067 0.000 2.156 110 L HA -0.092 4.249 4.340 0.001 0.000 0.208 110 L C 2.821 179.650 176.870 -0.069 0.000 1.095 110 L CA 0.842 55.648 54.840 -0.056 0.000 0.770 110 L CB -0.269 41.649 42.059 -0.235 0.000 0.914 110 L HN 0.340 nan 8.230 nan 0.000 0.439 111 R N -0.467 119.960 120.500 -0.123 0.000 2.115 111 R HA -0.074 4.266 4.340 0.001 0.000 0.230 111 R C 2.134 178.411 176.300 -0.038 0.000 1.111 111 R CA 1.197 57.254 56.100 -0.072 0.000 0.976 111 R CB -0.274 30.015 30.300 -0.018 0.000 0.870 111 R HN 0.300 nan 8.270 nan 0.000 0.445 112 A N 0.309 123.094 122.820 -0.058 0.000 2.169 112 A HA 0.138 4.458 4.320 0.001 0.000 0.212 112 A C 1.950 179.454 177.584 -0.134 0.000 1.153 112 A CA 1.113 53.108 52.037 -0.071 0.000 0.756 112 A CB 0.008 18.971 19.000 -0.062 0.000 0.813 112 A HN 0.342 nan 8.150 nan 0.000 0.471 113 A N -2.132 120.551 122.820 -0.228 0.000 2.063 113 A HA 0.387 4.708 4.320 0.001 0.000 0.211 113 A C 1.580 178.749 177.584 -0.691 0.000 1.177 113 A CA 0.899 52.612 52.037 -0.540 0.000 0.759 113 A CB -0.067 18.437 19.000 -0.828 0.000 0.857 113 A HN 0.521 nan 8.150 nan 0.000 0.468 114 Y N -2.144 118.145 120.300 -0.018 0.000 2.572 114 Y HA 0.346 4.897 4.550 0.001 0.000 0.274 114 Y C 1.813 177.757 175.900 0.075 0.000 1.135 114 Y CA -0.288 57.811 58.100 -0.002 0.000 1.230 114 Y CB 0.173 38.585 38.460 -0.079 0.000 1.293 114 Y HN 0.081 nan 8.280 nan 0.000 0.501 115 L N 0.361 121.693 121.223 0.183 0.000 1.993 115 L HA -0.026 4.315 4.340 0.001 0.000 0.206 115 L C 0.397 177.404 176.870 0.228 0.000 1.074 115 L CA 1.619 56.564 54.840 0.175 0.000 0.746 115 L CB 0.023 42.135 42.059 0.089 0.000 0.896 115 L HN 0.171 nan 8.230 nan 0.000 0.435 116 E N -1.838 118.423 120.200 0.103 0.000 2.355 116 E HA 0.284 4.634 4.350 0.001 0.000 0.261 116 E C -2.335 174.229 176.600 -0.060 0.000 0.943 116 E CA -2.080 54.334 56.400 0.022 0.000 0.806 116 E CB 0.930 30.644 29.700 0.022 0.000 1.286 116 E HN -0.145 nan 8.360 nan 0.000 0.424 117 P HA -0.221 nan 4.420 nan 0.000 0.143 117 P C -1.210 175.982 177.300 -0.180 0.000 0.769 117 P CA 0.959 63.977 63.100 -0.138 0.000 1.101 117 P CB -0.202 31.446 31.700 -0.087 0.000 1.400 118 Q N -1.338 118.268 119.800 -0.324 0.000 2.417 118 Q HA -0.212 4.129 4.340 0.001 0.000 0.362 118 Q C 0.309 176.205 176.000 -0.173 0.000 1.384 118 Q CA 1.201 56.800 55.803 -0.339 0.000 1.017 118 Q CB -1.113 27.490 28.738 -0.226 0.000 1.157 118 Q HN 0.613 nan 8.270 nan 0.000 0.313 119 A N 2.280 125.039 122.820 -0.101 0.000 2.346 119 A HA 0.208 4.529 4.320 0.001 0.000 0.252 119 A C 1.233 178.834 177.584 0.028 0.000 1.089 119 A CA 0.082 52.122 52.037 0.004 0.000 0.797 119 A CB 0.412 19.468 19.000 0.093 0.000 1.047 119 A HN 0.590 nan 8.150 nan 0.000 0.494 120 Q N -0.262 119.524 119.800 -0.024 0.000 2.354 120 Q HA 0.132 4.473 4.340 0.001 0.000 0.203 120 Q C 0.187 176.192 176.000 0.009 0.000 0.933 120 Q CA 0.699 56.492 55.803 -0.016 0.000 0.901 120 Q CB 0.019 28.728 28.738 -0.048 0.000 1.007 120 Q HN 0.683 nan 8.270 nan 0.000 0.495 121 L N 0.631 121.847 121.223 -0.011 0.000 3.094 121 L HA 0.297 4.638 4.340 0.001 0.000 0.254 121 L C -0.276 176.691 176.870 0.160 0.000 1.298 121 L CA -0.635 54.244 54.840 0.065 0.000 1.050 121 L CB 0.022 42.107 42.059 0.043 0.000 1.420 121 L HN 0.039 nan 8.230 nan 0.000 0.548 122 F N 2.049 122.000 119.950 0.002 0.000 2.494 122 F HA 0.164 4.692 4.527 0.001 0.000 0.369 122 F C 0.969 176.746 175.800 -0.038 0.000 1.098 122 F CA -0.795 57.199 58.000 -0.009 0.000 1.154 122 F CB 0.081 39.059 39.000 -0.038 0.000 1.103 122 F HN 0.165 nan 8.300 nan 0.000 0.549 123 C N 3.204 122.211 119.300 -0.487 0.000 2.595 123 C HA 0.462 4.923 4.460 0.001 0.000 0.384 123 C C 0.525 175.101 174.990 -0.690 0.000 1.289 123 C CA -0.791 57.928 59.018 -0.497 0.000 2.372 123 C CB 0.588 27.926 27.740 -0.671 0.000 2.593 123 C HN 0.835 nan 8.230 nan 0.000 0.639 124 S N 0.481 115.927 115.700 -0.424 0.000 2.128 124 S HA 0.408 4.878 4.470 0.001 0.000 0.157 124 S C -0.104 174.425 174.600 -0.119 0.000 1.650 124 S CA -0.504 57.551 58.200 -0.241 0.000 1.269 124 S CB -0.262 62.941 63.200 0.005 0.000 1.227 124 S HN 0.796 nan 8.310 nan 0.000 0.405 125 F N -1.210 118.660 119.950 -0.134 0.000 2.675 125 F HA 0.550 5.077 4.527 0.001 0.000 0.315 125 F C 0.064 175.664 175.800 -0.335 0.000 0.888 125 F CA -0.591 57.290 58.000 -0.199 0.000 1.100 125 F CB -0.040 38.840 39.000 -0.202 0.000 0.908 125 F HN 0.110 nan 8.300 nan 0.000 0.657 126 L N 2.395 123.405 121.223 -0.354 0.000 2.421 126 L HA 0.250 4.591 4.340 0.001 0.000 0.263 126 L C 0.896 177.663 176.870 -0.171 0.000 1.122 126 L CA -0.655 54.052 54.840 -0.222 0.000 0.804 126 L CB 0.680 42.617 42.059 -0.202 0.000 1.150 126 L HN 0.216 nan 8.230 nan 0.000 0.457 127 D N 1.544 121.896 120.400 -0.080 0.000 1.971 127 D HA 0.053 4.694 4.640 0.001 0.000 0.300 127 D C 0.281 176.572 176.300 -0.016 0.000 1.091 127 D CA 0.425 54.407 54.000 -0.031 0.000 0.835 127 D CB 0.155 40.954 40.800 -0.002 0.000 1.002 127 D HN 0.449 nan 8.370 nan 0.000 0.343 128 A N -1.262 121.563 122.820 0.008 0.000 3.019 128 A HA 0.162 4.483 4.320 0.001 0.000 0.202 128 A C 0.767 178.367 177.584 0.027 0.000 0.924 128 A CA -0.352 51.703 52.037 0.030 0.000 1.156 128 A CB -0.311 18.727 19.000 0.062 0.000 1.265 128 A HN 0.362 nan 8.150 nan 0.000 0.526 129 E N -0.629 119.581 120.200 0.017 0.000 2.251 129 E HA -0.024 4.326 4.350 0.001 0.000 0.194 129 E C 1.073 177.688 176.600 0.025 0.000 0.964 129 E CA 1.200 57.613 56.400 0.021 0.000 0.868 129 E CB 0.474 30.185 29.700 0.018 0.000 0.828 129 E HN 0.471 nan 8.360 nan 0.000 0.481 130 T N 0.381 114.948 114.554 0.021 0.000 3.088 130 T HA -0.000 4.350 4.350 0.001 0.000 0.259 130 T C 1.766 176.492 174.700 0.044 0.000 1.122 130 T CA 0.273 62.392 62.100 0.032 0.000 1.095 130 T CB 0.316 69.200 68.868 0.026 0.000 0.930 130 T HN -0.024 nan 8.240 nan 0.000 0.508 131 V N 1.766 121.704 119.914 0.040 0.000 2.427 131 V HA -0.126 3.995 4.120 0.001 0.000 0.248 131 V C 2.881 179.016 176.094 0.070 0.000 1.051 131 V CA 1.660 63.997 62.300 0.062 0.000 1.048 131 V CB -1.080 30.788 31.823 0.075 0.000 0.666 131 V HN 0.534 nan 8.190 nan 0.000 0.456 132 A N 0.469 123.321 122.820 0.054 0.000 1.929 132 A HA -0.191 4.129 4.320 0.001 0.000 0.216 132 A C 2.301 179.913 177.584 0.047 0.000 1.176 132 A CA 1.756 53.821 52.037 0.046 0.000 0.628 132 A CB -0.470 18.551 19.000 0.034 0.000 0.816 132 A HN 0.460 nan 8.150 nan 0.000 0.444 133 R N 0.483 121.013 120.500 0.049 0.000 2.083 133 R HA -0.073 4.268 4.340 0.001 0.000 0.237 133 R C 1.916 178.245 176.300 0.048 0.000 1.137 133 R CA 2.140 58.266 56.100 0.044 0.000 0.951 133 R CB -0.753 29.576 30.300 0.047 0.000 0.851 133 R HN 0.366 nan 8.270 nan 0.000 0.434 134 A N -0.155 122.723 122.820 0.096 0.000 2.169 134 A HA 0.074 4.394 4.320 0.001 0.000 0.212 134 A C 1.842 179.470 177.584 0.073 0.000 1.153 134 A CA 0.478 52.589 52.037 0.124 0.000 0.756 134 A CB -0.276 18.967 19.000 0.405 0.000 0.813 134 A HN 0.336 nan 8.150 nan 0.000 0.471 135 R N -0.330 120.218 120.500 0.079 0.000 2.293 135 R HA -0.041 4.300 4.340 0.001 0.000 0.219 135 R C 2.080 178.386 176.300 0.010 0.000 1.091 135 R CA 0.822 56.963 56.100 0.069 0.000 1.004 135 R CB -0.264 30.071 30.300 0.059 0.000 0.865 135 R HN 0.550 nan 8.270 nan 0.000 0.469 136 A N 0.856 123.654 122.820 -0.037 0.000 1.835 136 A HA 0.125 4.445 4.320 0.001 0.000 0.213 136 A C 1.499 179.030 177.584 -0.089 0.000 1.210 136 A CA 0.896 52.903 52.037 -0.051 0.000 0.605 136 A CB -0.962 18.008 19.000 -0.049 0.000 0.860 136 A HN 0.381 nan 8.150 nan 0.000 0.447 143 F N 3.196 123.210 119.950 0.105 0.000 2.963 143 F HA 0.270 4.798 4.527 0.001 0.000 0.321 143 F C 1.437 177.284 175.800 0.077 0.000 1.234 143 F CA -0.416 57.619 58.000 0.058 0.000 1.296 143 F CB 0.473 39.476 39.000 0.004 0.000 0.981 143 F HN 0.495 nan 8.300 nan 0.000 0.507 144 Q N -0.001 119.909 119.800 0.182 0.000 2.062 144 Q HA 0.001 4.341 4.340 0.001 0.000 0.196 144 Q C -0.698 175.374 176.000 0.120 0.000 0.967 144 Q CA 0.996 56.886 55.803 0.145 0.000 0.832 144 Q CB -1.864 26.934 28.738 0.100 0.000 0.899 144 Q HN 0.307 nan 8.270 nan 0.000 0.442 145 P HA -0.074 nan 4.420 nan 0.000 0.223 145 P C 1.416 178.773 177.300 0.095 0.000 1.151 145 P CA 0.552 63.700 63.100 0.081 0.000 0.787 145 P CB -0.003 31.733 31.700 0.060 0.000 0.788 146 L N -0.910 120.393 121.223 0.134 0.000 2.046 146 L HA -0.144 4.197 4.340 0.001 0.000 0.208 146 L C 2.208 179.135 176.870 0.096 0.000 1.077 146 L CA 1.585 56.498 54.840 0.123 0.000 0.747 146 L CB -1.457 40.709 42.059 0.179 0.000 0.896 146 L HN -0.076 nan 8.230 nan 0.000 0.432 147 L N -0.571 120.725 121.223 0.120 0.000 1.994 147 L HA -0.180 4.160 4.340 0.001 0.000 0.208 147 L C 2.611 179.544 176.870 0.104 0.000 1.071 147 L CA 1.730 56.645 54.840 0.126 0.000 0.745 147 L CB -0.575 41.580 42.059 0.159 0.000 0.892 147 L HN 0.169 nan 8.230 nan 0.000 0.431 148 R N -0.837 119.717 120.500 0.090 0.000 2.237 148 R HA -0.054 4.287 4.340 0.001 0.000 0.219 148 R C 2.118 178.458 176.300 0.067 0.000 1.080 148 R CA 0.824 56.966 56.100 0.070 0.000 0.995 148 R CB -0.378 29.957 30.300 0.059 0.000 0.875 148 R HN 0.539 nan 8.270 nan 0.000 0.462 149 A N 0.295 123.157 122.820 0.070 0.000 1.898 149 A HA -0.103 4.217 4.320 0.001 0.000 0.216 149 A C 2.179 179.819 177.584 0.093 0.000 1.181 149 A CA 1.179 53.257 52.037 0.068 0.000 0.620 149 A CB -0.470 18.562 19.000 0.053 0.000 0.819 149 A HN 0.204 nan 8.150 nan 0.000 0.442 150 V N -0.091 119.884 119.914 0.102 0.000 2.488 150 V HA -0.130 3.991 4.120 0.001 0.000 0.246 150 V C 2.392 178.541 176.094 0.092 0.000 1.046 150 V CA 1.678 64.065 62.300 0.145 0.000 1.053 150 V CB -0.418 31.491 31.823 0.144 0.000 0.679 150 V HN 0.575 nan 8.190 nan 0.000 0.458 151 L N 0.234 121.494 121.223 0.062 0.000 1.970 151 L HA -0.181 4.159 4.340 0.001 0.000 0.212 151 L C 2.829 179.722 176.870 0.038 0.000 1.071 151 L CA 1.952 56.824 54.840 0.054 0.000 0.751 151 L CB -1.061 41.034 42.059 0.060 0.000 0.889 151 L HN 0.417 nan 8.230 nan 0.000 0.432 152 A N -0.351 122.491 122.820 0.037 0.000 1.881 152 A HA -0.376 3.945 4.320 0.001 0.000 0.219 152 A C 2.136 179.664 177.584 -0.093 0.000 1.215 152 A CA 2.571 54.601 52.037 -0.012 0.000 0.648 152 A CB -1.143 17.873 19.000 0.026 0.000 0.832 152 A HN 0.603 nan 8.150 nan 0.000 0.455 153 H N -0.550 118.456 119.070 -0.106 0.000 2.326 153 H HA 0.062 4.619 4.556 0.001 0.000 0.301 153 H C 1.808 176.969 175.328 -0.280 0.000 1.081 153 H CA 1.720 57.681 56.048 -0.145 0.000 1.334 153 H CB -0.260 29.481 29.762 -0.034 0.000 1.385 153 H HN 0.342 nan 8.280 nan 0.000 0.504 154 L N -0.354 120.751 121.223 -0.197 0.000 2.189 154 L HA -0.129 4.212 4.340 0.001 0.000 0.214 154 L C 2.359 178.937 176.870 -0.487 0.000 1.097 154 L CA 1.122 55.775 54.840 -0.311 0.000 0.764 154 L CB -0.410 41.546 42.059 -0.171 0.000 0.900 154 L HN 0.498 nan 8.230 nan 0.000 0.436 155 G N -1.749 106.520 108.800 -0.886 0.000 3.088 155 G HA2 0.010 3.970 3.960 0.001 0.000 0.212 155 G HA3 0.010 3.970 3.960 0.001 0.000 0.212 155 G C 1.176 175.433 174.900 -1.072 0.000 1.173 155 G CA -0.107 43.808 45.100 -1.976 0.000 0.779 155 G HN 0.385 nan 8.290 nan 0.000 0.540 156 Q N -0.420 119.005 119.800 -0.624 0.000 2.497 156 Q HA 0.333 4.673 4.340 0.001 0.000 0.180 156 Q C 2.721 178.536 176.000 -0.307 0.000 0.778 156 Q CA 0.366 55.925 55.803 -0.407 0.000 0.803 156 Q CB -0.124 28.392 28.738 -0.370 0.000 1.129 156 Q HN 0.202 nan 8.270 nan 0.000 0.597 157 A N 2.004 124.567 122.820 -0.428 0.000 1.854 157 A HA -0.053 4.268 4.320 0.001 0.000 0.214 157 A C -0.512 176.956 177.584 -0.194 0.000 1.192 157 A CA 1.329 53.202 52.037 -0.273 0.000 0.611 157 A CB -1.590 17.257 19.000 -0.255 0.000 0.832 157 A HN 0.257 nan 8.150 nan 0.000 0.442 158 P HA -0.062 nan 4.420 nan 0.000 0.221 158 P C 1.238 178.507 177.300 -0.051 0.000 1.150 158 P CA 0.493 63.486 63.100 -0.178 0.000 0.800 158 P CB -0.125 31.267 31.700 -0.513 0.000 0.787 159 F N 1.215 121.005 119.950 -0.266 0.000 2.365 159 F HA -0.137 4.391 4.527 0.001 0.000 0.300 159 F C 1.936 177.569 175.800 -0.279 0.000 1.090 159 F CA 1.215 59.036 58.000 -0.298 0.000 1.408 159 F CB -0.493 38.220 39.000 -0.479 0.000 1.060 159 F HN -0.177 nan 8.300 nan 0.000 0.534 160 Q N 0.706 120.314 119.800 -0.320 0.000 2.181 160 Q HA -0.224 4.117 4.340 0.001 0.000 0.205 160 Q C 1.970 177.732 176.000 -0.397 0.000 0.980 160 Q CA 2.015 57.604 55.803 -0.358 0.000 0.862 160 Q CB -0.480 28.150 28.738 -0.180 0.000 0.905 160 Q HN 0.607 nan 8.270 nan 0.000 0.429 161 E N -0.125 119.890 120.200 -0.308 0.000 2.033 161 E HA -0.107 4.244 4.350 0.001 0.000 0.189 161 E C 1.721 178.006 176.600 -0.524 0.000 0.979 161 E CA 0.435 56.691 56.400 -0.239 0.000 0.802 161 E CB -0.313 29.433 29.700 0.077 0.000 0.763 161 E HN 0.172 nan 8.360 nan 0.000 0.449 162 F N 2.463 121.728 119.950 -1.141 0.000 2.063 162 F HA -0.338 4.190 4.527 0.001 0.000 0.297 162 F C 1.870 177.259 175.800 -0.684 0.000 1.099 162 F CA 1.765 59.058 58.000 -1.178 0.000 1.220 162 F CB -0.423 37.895 39.000 -1.135 0.000 0.972 162 F HN -0.074 nan 8.300 nan 0.000 0.487 163 L N -0.596 120.121 121.223 -0.844 0.000 1.990 163 L HA -0.241 4.100 4.340 0.001 0.000 0.213 163 L C 0.864 177.237 176.870 -0.829 0.000 1.072 163 L CA 1.767 55.957 54.840 -1.083 0.000 0.755 163 L CB -1.095 40.440 42.059 -0.873 0.000 0.889 163 L HN 0.043 nan 8.230 nan 0.000 0.432 164 D N 1.044 121.169 120.400 -0.458 0.000 3.057 164 D HA 0.196 4.837 4.640 0.001 0.000 0.246 164 D C 0.207 176.459 176.300 -0.081 0.000 1.238 164 D CA 0.247 54.124 54.000 -0.205 0.000 0.949 164 D CB 0.293 41.007 40.800 -0.142 0.000 1.086 164 D HN 0.340 nan 8.370 nan 0.000 0.487 165 S N -1.664 114.003 115.700 -0.054 0.000 2.643 165 S HA 0.355 4.825 4.470 0.001 0.000 0.270 165 S C 0.885 175.560 174.600 0.126 0.000 1.166 165 S CA -0.798 57.463 58.200 0.102 0.000 0.815 165 S CB 0.982 64.312 63.200 0.217 0.000 1.139 165 S HN 0.020 nan 8.310 nan 0.000 0.472 166 L N -0.086 121.222 121.223 0.141 0.000 1.976 166 L HA -0.078 4.263 4.340 0.001 0.000 0.209 166 L C 2.322 179.183 176.870 -0.014 0.000 1.071 166 L CA 1.778 56.620 54.840 0.003 0.000 0.746 166 L CB -1.006 40.964 42.059 -0.150 0.000 0.890 166 L HN 0.790 nan 8.230 nan 0.000 0.432 167 Y N -0.210 120.156 120.300 0.111 0.000 2.132 167 Y HA -0.376 4.174 4.550 0.001 0.000 0.280 167 Y C 2.498 178.410 175.900 0.019 0.000 1.193 167 Y CA 2.180 60.395 58.100 0.192 0.000 1.157 167 Y CB -1.077 37.673 38.460 0.485 0.000 0.966 167 Y HN 0.204 nan 8.280 nan 0.000 0.511 168 F N 0.270 119.874 119.950 -0.576 0.000 2.126 168 F HA -0.205 4.322 4.527 0.001 0.000 0.299 168 F C 1.781 177.555 175.800 -0.043 0.000 1.096 168 F CA 1.440 59.038 58.000 -0.669 0.000 1.255 168 F CB -0.886 37.423 39.000 -1.152 0.000 0.997 168 F HN -0.032 nan 8.300 nan 0.000 0.479 169 L N 0.251 121.000 121.223 -0.790 0.000 2.017 169 L HA -0.201 4.140 4.340 0.001 0.000 0.208 169 L C 2.707 179.402 176.870 -0.292 0.000 1.073 169 L CA 1.682 56.053 54.840 -0.782 0.000 0.745 169 L CB -0.835 41.019 42.059 -0.341 0.000 0.894 169 L HN 0.116 nan 8.230 nan 0.000 0.432 170 R N 0.178 120.660 120.500 -0.029 0.000 2.117 170 R HA -0.242 4.099 4.340 0.001 0.000 0.243 170 R C 2.123 178.654 176.300 0.385 0.000 1.143 170 R CA 1.619 57.822 56.100 0.172 0.000 0.968 170 R CB -0.973 29.519 30.300 0.320 0.000 0.863 170 R HN 0.251 nan 8.270 nan 0.000 0.444 171 F N 0.549 120.649 119.950 0.249 0.000 2.095 171 F HA -0.145 4.383 4.527 0.001 0.000 0.298 171 F C 1.754 177.682 175.800 0.214 0.000 1.104 171 F CA 1.702 59.902 58.000 0.333 0.000 1.232 171 F CB -0.362 38.813 39.000 0.291 0.000 0.987 171 F HN 0.022 nan 8.300 nan 0.000 0.475 172 L N -0.372 120.870 121.223 0.032 0.000 2.081 172 L HA -0.299 4.042 4.340 0.001 0.000 0.212 172 L C 2.381 179.263 176.870 0.020 0.000 1.080 172 L CA 1.737 56.547 54.840 -0.049 0.000 0.754 172 L CB -0.882 41.057 42.059 -0.200 0.000 0.893 172 L HN 0.272 nan 8.230 nan 0.000 0.433 173 Q N -1.540 118.269 119.800 0.014 0.000 2.137 173 Q HA -0.152 4.189 4.340 0.001 0.000 0.198 173 Q C 2.123 178.203 176.000 0.133 0.000 0.960 173 Q CA 1.333 57.148 55.803 0.021 0.000 0.847 173 Q CB -0.155 28.500 28.738 -0.138 0.000 0.915 173 Q HN 0.494 nan 8.270 nan 0.000 0.448 174 W N 1.514 122.885 121.300 0.118 0.000 2.358 174 W HA -0.148 4.512 4.660 0.001 0.000 0.303 174 W C 2.223 178.787 176.519 0.076 0.000 1.208 174 W CA 0.552 58.001 57.345 0.175 0.000 1.274 174 W CB 0.123 29.681 29.460 0.165 0.000 1.138 174 W HN -0.029 nan 8.180 nan 0.000 0.515 175 K N -0.643 119.782 120.400 0.042 0.000 2.057 175 K HA -0.220 4.101 4.320 0.001 0.000 0.207 175 K C 1.590 178.158 176.600 -0.054 0.000 1.049 175 K CA 1.662 57.856 56.287 -0.155 0.000 0.931 175 K CB -1.433 30.925 32.500 -0.237 0.000 0.714 175 K HN 0.372 nan 8.250 nan 0.000 0.440 176 W N 1.561 122.795 121.300 -0.109 0.000 2.318 176 W HA -0.254 4.406 4.660 0.001 0.000 0.313 176 W C 1.763 178.229 176.519 -0.088 0.000 1.221 176 W CA 1.302 58.590 57.345 -0.095 0.000 1.266 176 W CB -0.440 28.973 29.460 -0.079 0.000 1.150 176 W HN 0.062 nan 8.180 nan 0.000 0.496 177 L N 1.331 122.529 121.223 -0.042 0.000 2.376 177 L HA -0.057 4.283 4.340 0.001 0.000 0.219 177 L C 2.326 179.036 176.870 -0.266 0.000 1.133 177 L CA 2.194 56.850 54.840 -0.307 0.000 0.816 177 L CB -1.042 41.121 42.059 0.174 0.000 0.933 177 L HN 0.249 nan 8.230 nan 0.000 0.449 178 E N -0.136 119.853 120.200 -0.352 0.000 2.072 178 E HA -0.097 4.253 4.350 0.001 0.000 0.191 178 E C 1.143 177.383 176.600 -0.600 0.000 0.985 178 E CA 0.708 56.617 56.400 -0.817 0.000 0.801 178 E CB -0.067 28.838 29.700 -1.325 0.000 0.750 178 E HN 0.483 nan 8.360 nan 0.000 0.452 179 A N 2.011 124.536 122.820 -0.491 0.000 3.051 179 A HA 0.070 4.391 4.320 0.001 0.000 0.257 179 A C -0.317 177.011 177.584 -0.427 0.000 1.785 179 A CA 0.128 51.924 52.037 -0.401 0.000 1.420 179 A CB -0.079 18.729 19.000 -0.320 0.000 1.063 179 A HN 0.122 nan 8.150 nan 0.000 0.630 180 Q N 0.508 120.073 119.800 -0.392 0.000 2.456 180 Q HA 0.469 4.810 4.340 0.001 0.000 0.283 180 Q C -2.984 172.850 176.000 -0.278 0.000 1.084 180 Q CA -1.867 53.718 55.803 -0.363 0.000 0.801 180 Q CB 2.199 30.679 28.738 -0.430 0.000 1.434 180 Q HN 0.274 nan 8.270 nan 0.000 0.419 181 P HA 0.379 nan 4.420 nan 0.000 0.288 181 P C -0.840 176.294 177.300 -0.276 0.000 1.363 181 P CA -0.181 62.818 63.100 -0.169 0.000 0.837 181 P CB 0.140 31.794 31.700 -0.076 0.000 0.981 182 M N 2.724 122.112 119.600 -0.353 0.000 2.495 182 M HA 0.378 4.858 4.480 0.001 0.000 0.346 182 M C 0.990 177.072 176.300 -0.363 0.000 1.251 182 M CA -0.141 54.750 55.300 -0.680 0.000 1.249 182 M CB 1.171 33.405 32.600 -0.611 0.000 1.229 182 M HN 0.330 nan 8.290 nan 0.000 0.450 183 G N 1.019 109.787 108.800 -0.053 0.000 2.510 183 G HA2 0.181 4.142 3.960 0.001 0.000 0.280 183 G HA3 0.181 4.142 3.960 0.001 0.000 0.280 183 G C 0.768 175.619 174.900 -0.082 0.000 1.386 183 G CA -0.369 44.726 45.100 -0.009 0.000 1.047 183 G HN 0.782 nan 8.290 nan 0.000 0.527 184 E N -0.302 119.872 120.200 -0.043 0.000 2.171 184 E HA -0.212 4.139 4.350 0.001 0.000 0.197 184 E C 1.190 177.808 176.600 0.030 0.000 0.997 184 E CA 1.544 57.941 56.400 -0.004 0.000 0.810 184 E CB -0.283 29.473 29.700 0.094 0.000 0.738 184 E HN 0.376 nan 8.360 nan 0.000 0.467 185 D N 0.726 121.162 120.400 0.060 0.000 2.190 185 D HA -0.168 4.473 4.640 0.001 0.000 0.200 185 D C 1.093 177.247 176.300 -0.243 0.000 0.992 185 D CA 1.125 55.102 54.000 -0.038 0.000 0.854 185 D CB -0.345 40.415 40.800 -0.068 0.000 0.936 185 D HN 0.472 nan 8.370 nan 0.000 0.462 186 W N -0.414 120.746 121.300 -0.232 0.000 3.180 186 W HA 0.212 4.873 4.660 0.001 0.000 0.254 186 W C 0.027 175.999 176.519 -0.912 0.000 1.318 186 W CA -0.238 56.770 57.345 -0.561 0.000 1.608 186 W CB -0.255 28.935 29.460 -0.451 0.000 1.124 186 W HN -0.220 nan 8.180 nan 0.000 0.694 187 F N -0.293 119.537 119.950 -0.199 0.000 2.626 187 F HA 0.485 5.013 4.527 0.001 0.000 0.311 187 F C -0.557 175.191 175.800 -0.085 0.000 1.088 187 F CA -1.532 56.392 58.000 -0.127 0.000 0.949 187 F CB 1.225 40.173 39.000 -0.085 0.000 1.322 187 F HN -0.498 nan 8.300 nan 0.000 0.461 188 L N 1.694 123.034 121.223 0.195 0.000 2.333 188 L HA 0.719 5.060 4.340 0.001 0.000 0.269 188 L C -1.405 175.632 176.870 0.278 0.000 1.010 188 L CA -0.190 54.753 54.840 0.171 0.000 0.818 188 L CB 1.761 43.902 42.059 0.137 0.000 1.306 188 L HN 0.481 nan 8.230 nan 0.000 0.430 189 D N 2.828 123.385 120.400 0.262 0.000 2.819 189 D HA 0.516 5.157 4.640 0.001 0.000 0.232 189 D C -0.433 176.133 176.300 0.443 0.000 1.160 189 D CA 0.269 54.407 54.000 0.231 0.000 0.858 189 D CB 2.029 42.694 40.800 -0.224 0.000 1.610 189 D HN 0.562 nan 8.370 nan 0.000 0.481 190 F N -0.464 119.657 119.950 0.285 0.000 2.381 190 F HA 0.283 4.811 4.527 0.001 0.000 0.400 190 F C -0.024 175.879 175.800 0.172 0.000 0.822 190 F CA -0.628 57.489 58.000 0.195 0.000 0.926 190 F CB 0.734 39.804 39.000 0.118 0.000 1.080 190 F HN 0.130 nan 8.300 nan 0.000 0.604 191 R N 1.833 121.962 120.500 -0.618 0.000 2.561 191 R HA 0.760 5.100 4.340 0.001 0.000 0.297 191 R C -1.864 174.174 176.300 -0.437 0.000 0.969 191 R CA -0.704 55.167 56.100 -0.381 0.000 0.879 191 R CB 2.432 32.557 30.300 -0.290 0.000 1.178 191 R HN 0.082 nan 8.270 nan 0.000 0.445 192 V N 5.914 125.564 119.914 -0.440 0.000 2.513 192 V HA 0.219 4.339 4.120 0.001 0.000 0.299 192 V C 1.178 177.063 176.094 -0.349 0.000 1.035 192 V CA -0.553 61.361 62.300 -0.644 0.000 0.889 192 V CB 1.736 33.091 31.823 -0.779 0.000 0.988 192 V HN 0.849 nan 8.190 nan 0.000 0.440 193 L N 3.578 124.629 121.223 -0.286 0.000 1.973 193 L HA 0.276 4.616 4.340 0.001 0.000 0.208 193 L C 0.976 177.762 176.870 -0.139 0.000 1.073 193 L CA 2.286 57.028 54.840 -0.164 0.000 0.746 193 L CB 0.047 42.042 42.059 -0.106 0.000 0.891 193 L HN 0.841 nan 8.230 nan 0.000 0.433 194 G N -1.636 107.083 108.800 -0.134 0.000 2.500 194 G HA2 0.371 4.331 3.960 0.001 0.000 0.299 194 G HA3 0.371 4.331 3.960 0.001 0.000 0.299 194 G C -1.547 173.311 174.900 -0.070 0.000 1.242 194 G CA -0.693 44.354 45.100 -0.088 0.000 0.859 194 G HN 0.069 nan 8.290 nan 0.000 0.481 195 R N -0.412 120.068 120.500 -0.033 0.000 2.549 195 R HA 0.449 4.790 4.340 0.001 0.000 0.291 195 R C 0.577 176.878 176.300 0.002 0.000 1.164 195 R CA 0.223 56.316 56.100 -0.011 0.000 0.973 195 R CB 1.244 31.534 30.300 -0.017 0.000 1.210 195 R HN 0.812 nan 8.270 nan 0.000 0.422 196 G N 0.934 109.746 108.800 0.020 0.000 2.497 196 G HA2 0.251 4.212 3.960 0.001 0.000 0.210 196 G HA3 0.251 4.212 3.960 0.001 0.000 0.210 196 G C 0.695 175.587 174.900 -0.013 0.000 1.177 196 G CA 1.096 46.203 45.100 0.012 0.000 0.822 196 G HN 0.724 nan 8.290 nan 0.000 0.550 197 G N -0.746 108.053 108.800 -0.003 0.000 4.308 197 G HA2 0.009 3.970 3.960 0.001 0.000 0.198 197 G HA3 0.009 3.970 3.960 0.001 0.000 0.198 197 G C 1.153 176.054 174.900 0.002 0.000 0.980 197 G CA 0.271 45.340 45.100 -0.052 0.000 0.961 197 G HN 0.125 nan 8.290 nan 0.000 0.318 198 F N 1.994 121.959 119.950 0.024 0.000 2.111 198 F HA 0.116 4.644 4.527 0.001 0.000 0.300 198 F C 2.068 177.884 175.800 0.026 0.000 1.088 198 F CA 2.178 60.195 58.000 0.028 0.000 1.243 198 F CB 0.196 39.213 39.000 0.029 0.000 0.996 198 F HN 0.602 nan 8.300 nan 0.000 0.483 199 G N -1.519 107.413 108.800 0.220 0.000 2.565 199 G HA2 0.382 4.342 3.960 0.001 0.000 0.142 199 G HA3 0.382 4.342 3.960 0.001 0.000 0.142 199 G C -1.624 173.349 174.900 0.121 0.000 1.181 199 G CA -0.748 44.440 45.100 0.147 0.000 1.066 199 G HN -0.062 nan 8.290 nan 0.000 0.530 200 E N -0.195 120.097 120.200 0.154 0.000 2.199 200 E HA 0.595 4.946 4.350 0.001 0.000 0.265 200 E C -0.686 176.038 176.600 0.207 0.000 0.882 200 E CA -0.482 56.007 56.400 0.148 0.000 0.759 200 E CB 2.576 32.441 29.700 0.275 0.000 1.148 200 E HN 0.355 nan 8.360 nan 0.000 0.412 201 V N 4.245 124.160 119.914 0.001 0.000 2.439 201 V HA 0.493 4.614 4.120 0.001 0.000 0.282 201 V C -0.557 175.451 176.094 -0.142 0.000 1.039 201 V CA -0.415 61.907 62.300 0.037 0.000 0.913 201 V CB 0.184 32.002 31.823 -0.008 0.000 0.983 201 V HN 0.540 nan 8.190 nan 0.000 0.460 202 F N 1.609 121.532 119.950 -0.045 0.000 2.654 202 F HA 0.835 5.362 4.527 0.001 0.000 0.334 202 F C 0.368 176.119 175.800 -0.081 0.000 1.078 202 F CA -0.809 57.139 58.000 -0.087 0.000 0.986 202 F CB 1.793 40.749 39.000 -0.074 0.000 1.362 202 F HN 0.511 nan 8.300 nan 0.000 0.498 203 A N 0.536 123.386 122.820 0.051 0.000 2.330 203 A HA 0.741 5.062 4.320 0.001 0.000 0.327 203 A C -1.073 176.562 177.584 0.087 0.000 1.155 203 A CA -0.556 51.506 52.037 0.040 0.000 0.803 203 A CB 0.490 19.464 19.000 -0.044 0.000 1.208 203 A HN 1.027 nan 8.150 nan 0.000 0.477 204 C N 1.248 120.695 119.300 0.244 0.000 2.698 204 C HA 0.783 5.244 4.460 0.001 0.000 0.309 204 C C -0.637 174.626 174.990 0.456 0.000 1.186 204 C CA -0.695 58.543 59.018 0.366 0.000 1.474 204 C CB 0.690 28.626 27.740 0.326 0.000 2.020 204 C HN 0.983 nan 8.230 nan 0.000 0.474 205 Q N 3.083 123.142 119.800 0.430 0.000 2.257 205 Q HA 0.381 4.722 4.340 0.001 0.000 0.255 205 Q C -0.325 175.793 176.000 0.198 0.000 0.920 205 Q CA -0.598 55.379 55.803 0.291 0.000 0.927 205 Q CB 1.258 30.086 28.738 0.151 0.000 1.229 205 Q HN 0.904 nan 8.270 nan 0.000 0.433 206 M N 4.727 124.415 119.600 0.146 0.000 2.292 206 M HA 0.033 4.514 4.480 0.001 0.000 0.342 206 M C 0.131 176.272 176.300 -0.265 0.000 1.538 206 M CA 0.894 55.997 55.300 -0.328 0.000 1.163 206 M CB 0.321 32.920 32.600 -0.002 0.000 1.823 206 M HN 0.751 nan 8.290 nan 0.000 0.462 207 K N 3.766 123.904 120.400 -0.436 0.000 2.002 207 K HA -0.139 4.181 4.320 0.001 0.000 0.209 207 K C 1.751 178.260 176.600 -0.151 0.000 1.048 207 K CA 1.776 57.862 56.287 -0.336 0.000 0.930 207 K CB -0.163 31.926 32.500 -0.685 0.000 0.714 207 K HN 0.824 nan 8.250 nan 0.000 0.438 208 A N 1.346 124.127 122.820 -0.065 0.000 1.858 208 A HA -0.203 4.117 4.320 0.001 0.000 0.216 208 A C 2.398 180.010 177.584 0.047 0.000 1.190 208 A CA 2.551 54.632 52.037 0.073 0.000 0.617 208 A CB -1.234 17.889 19.000 0.204 0.000 0.827 208 A HN 0.538 nan 8.150 nan 0.000 0.443 209 T N -3.991 110.584 114.554 0.035 0.000 2.770 209 T HA 0.356 4.707 4.350 0.001 0.000 0.258 209 T C 1.460 176.171 174.700 0.019 0.000 1.039 209 T CA 1.455 63.578 62.100 0.038 0.000 1.143 209 T CB -0.662 68.236 68.868 0.049 0.000 0.866 209 T HN 1.895 nan 8.240 nan 0.000 0.428 210 G N 1.327 110.130 108.800 0.005 0.000 2.309 210 G HA2 -0.124 3.837 3.960 0.001 0.000 0.183 210 G HA3 -0.124 3.837 3.960 0.001 0.000 0.183 210 G C -0.314 174.593 174.900 0.012 0.000 1.063 210 G CA -0.021 45.078 45.100 -0.000 0.000 0.768 210 G HN 0.841 nan 8.290 nan 0.000 0.490 211 K N 0.195 120.616 120.400 0.035 0.000 2.156 211 K HA 0.798 5.118 4.320 0.001 0.000 0.254 211 K C 0.605 177.200 176.600 -0.009 0.000 0.950 211 K CA -1.046 55.234 56.287 -0.010 0.000 0.849 211 K CB 0.866 33.362 32.500 -0.006 0.000 1.100 211 K HN 0.188 nan 8.250 nan 0.000 0.434 212 L N 3.497 124.635 121.223 -0.141 0.000 2.360 212 L HA 0.489 4.830 4.340 0.001 0.000 0.271 212 L C -0.837 175.876 176.870 -0.262 0.000 1.057 212 L CA -0.891 53.919 54.840 -0.050 0.000 0.803 212 L CB 0.630 42.689 42.059 -0.001 0.000 1.207 212 L HN 0.666 nan 8.230 nan 0.000 0.445 213 Y N -0.082 120.336 120.300 0.197 0.000 2.480 213 Y HA 0.423 4.974 4.550 0.001 0.000 0.329 213 Y C -0.201 175.769 175.900 0.117 0.000 1.127 213 Y CA -0.955 57.240 58.100 0.158 0.000 1.037 213 Y CB 2.026 40.603 38.460 0.194 0.000 1.320 213 Y HN 0.637 nan 8.280 nan 0.000 0.446 214 A N 2.085 125.064 122.820 0.265 0.000 2.395 214 A HA 0.424 4.744 4.320 0.001 0.000 0.286 214 A C -0.594 177.072 177.584 0.136 0.000 1.193 214 A CA -0.119 52.014 52.037 0.161 0.000 0.852 214 A CB -0.317 18.744 19.000 0.103 0.000 1.118 214 A HN 0.771 nan 8.150 nan 0.000 0.524 215 C N 4.256 123.628 119.300 0.120 0.000 2.264 215 C HA 0.468 4.929 4.460 0.001 0.000 0.322 215 C C 0.459 175.481 174.990 0.053 0.000 1.210 215 C CA -0.775 58.268 59.018 0.042 0.000 1.539 215 C CB -0.439 27.305 27.740 0.007 0.000 2.167 215 C HN 0.901 nan 8.230 nan 0.000 0.463 216 K N 5.051 125.457 120.400 0.010 0.000 2.349 216 K HA 0.284 4.604 4.320 0.001 0.000 0.288 216 K C -0.236 176.358 176.600 -0.010 0.000 1.058 216 K CA 0.323 56.625 56.287 0.026 0.000 0.953 216 K CB 0.330 32.830 32.500 -0.000 0.000 0.997 216 K HN 0.654 nan 8.250 nan 0.000 0.477 217 K N 5.219 125.651 120.400 0.054 0.000 2.259 217 K HA 0.452 4.773 4.320 0.001 0.000 0.252 217 K C -0.881 175.739 176.600 0.032 0.000 0.936 217 K CA -0.811 55.481 56.287 0.008 0.000 0.810 217 K CB 1.582 34.099 32.500 0.028 0.000 1.143 217 K HN 0.418 nan 8.250 nan 0.000 0.427 218 L N 1.499 122.704 121.223 -0.029 0.000 2.385 218 L HA 0.369 4.709 4.340 0.001 0.000 0.273 218 L C -0.004 176.867 176.870 0.002 0.000 0.990 218 L CA -0.930 53.913 54.840 0.005 0.000 0.821 218 L CB 1.732 43.748 42.059 -0.072 0.000 1.279 218 L HN 0.625 nan 8.230 nan 0.000 0.412 219 N N 2.933 121.672 118.700 0.066 0.000 2.416 219 N HA 0.010 4.751 4.740 0.001 0.000 0.271 219 N C 0.702 176.255 175.510 0.072 0.000 1.245 219 N CA -0.065 53.021 53.050 0.060 0.000 0.940 219 N CB 0.806 39.342 38.487 0.081 0.000 1.175 219 N HN 0.688 nan 8.380 nan 0.000 0.483 220 K N 3.046 123.461 120.400 0.025 0.000 2.044 220 K HA -0.215 4.105 4.320 0.001 0.000 0.210 220 K C 1.483 178.221 176.600 0.230 0.000 1.049 220 K CA 1.762 58.090 56.287 0.068 0.000 0.927 220 K CB 0.096 32.560 32.500 -0.061 0.000 0.713 220 K HN 0.489 nan 8.250 nan 0.000 0.443 221 K N 0.368 120.889 120.400 0.202 0.000 2.097 221 K HA -0.129 4.191 4.320 0.001 0.000 0.206 221 K C 2.114 178.788 176.600 0.124 0.000 1.049 221 K CA 1.055 57.433 56.287 0.151 0.000 0.933 221 K CB -0.070 32.477 32.500 0.079 0.000 0.717 221 K HN 0.073 nan 8.250 nan 0.000 0.442 222 R N 0.794 121.368 120.500 0.123 0.000 2.148 222 R HA -0.004 4.336 4.340 0.001 0.000 0.223 222 R C 2.121 178.526 176.300 0.175 0.000 1.088 222 R CA 0.683 56.852 56.100 0.115 0.000 0.985 222 R CB -0.075 30.287 30.300 0.102 0.000 0.880 222 R HN 0.218 nan 8.270 nan 0.000 0.451 223 L N 0.805 122.171 121.223 0.239 0.000 2.005 223 L HA -0.161 4.180 4.340 0.001 0.000 0.207 223 L C 2.404 179.489 176.870 0.358 0.000 1.072 223 L CA 1.552 56.585 54.840 0.323 0.000 0.744 223 L CB -0.271 41.946 42.059 0.264 0.000 0.895 223 L HN 0.132 nan 8.230 nan 0.000 0.433 224 K N 0.003 120.635 120.400 0.386 0.000 2.280 224 K HA -0.251 4.069 4.320 0.001 0.000 0.202 224 K C 1.998 178.661 176.600 0.105 0.000 1.047 224 K CA 1.094 57.558 56.287 0.294 0.000 0.942 224 K CB 0.112 32.795 32.500 0.306 0.000 0.739 224 K HN -0.030 nan 8.250 nan 0.000 0.457 225 K N 1.037 121.500 120.400 0.106 0.000 2.442 225 K HA -0.066 4.255 4.320 0.001 0.000 0.198 225 K C 0.832 177.452 176.600 0.034 0.000 1.042 225 K CA 1.173 57.488 56.287 0.046 0.000 0.958 225 K CB 0.204 32.728 32.500 0.041 0.000 0.766 225 K HN 0.151 nan 8.250 nan 0.000 0.474 226 R N -0.425 120.115 120.500 0.066 0.000 2.572 226 R HA 0.199 4.539 4.340 0.001 0.000 0.370 226 R C -0.533 175.799 176.300 0.054 0.000 1.005 226 R CA -0.182 55.949 56.100 0.050 0.000 1.146 226 R CB 0.500 30.832 30.300 0.054 0.000 1.390 226 R HN 0.000 nan 8.270 nan 0.000 0.553 227 K N 0.506 120.920 120.400 0.023 0.000 3.071 227 K HA -0.186 4.134 4.320 0.001 0.000 0.262 227 K C 0.653 177.315 176.600 0.102 0.000 0.977 227 K CA 0.603 56.871 56.287 -0.032 0.000 0.721 227 K CB -1.323 31.131 32.500 -0.077 0.000 1.293 227 K HN 0.524 nan 8.250 nan 0.000 0.475 228 G N -0.696 108.250 108.800 0.243 0.000 3.314 228 G HA2 -0.010 3.950 3.960 0.001 0.000 0.238 228 G HA3 -0.010 3.950 3.960 0.001 0.000 0.238 228 G C 0.819 175.914 174.900 0.325 0.000 1.184 228 G CA -0.287 45.007 45.100 0.323 0.000 0.806 228 G HN 0.437 nan 8.290 nan 0.000 0.536 229 Y N 0.339 120.660 120.300 0.035 0.000 2.097 229 Y HA -0.271 4.280 4.550 0.001 0.000 0.282 229 Y C 3.100 179.009 175.900 0.015 0.000 1.152 229 Y CA 1.484 59.563 58.100 -0.036 0.000 1.136 229 Y CB 0.158 38.486 38.460 -0.220 0.000 0.975 229 Y HN 0.243 nan 8.280 nan 0.000 0.498 230 Q N -0.578 119.337 119.800 0.193 0.000 2.167 230 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 230 Q C 2.419 178.493 176.000 0.124 0.000 0.970 230 Q CA 1.315 57.197 55.803 0.133 0.000 0.855 230 Q CB -0.494 28.300 28.738 0.094 0.000 0.911 230 Q HN 0.511 nan 8.270 nan 0.000 0.438 231 G N -0.162 108.717 108.800 0.131 0.000 2.484 231 G HA2 -0.049 3.911 3.960 0.001 0.000 0.218 231 G HA3 -0.049 3.911 3.960 0.001 0.000 0.218 231 G C 1.313 176.261 174.900 0.080 0.000 1.130 231 G CA 0.664 45.836 45.100 0.120 0.000 0.784 231 G HN 0.412 nan 8.290 nan 0.000 0.543 232 A N 0.214 123.066 122.820 0.053 0.000 1.887 232 A HA 0.298 4.619 4.320 0.001 0.000 0.212 232 A C 2.205 179.845 177.584 0.093 0.000 1.198 232 A CA 1.592 53.629 52.037 0.000 0.000 0.628 232 A CB -0.235 18.705 19.000 -0.100 0.000 0.847 232 A HN 0.309 nan 8.150 nan 0.000 0.449 233 M N -0.110 119.591 119.600 0.167 0.000 2.132 233 M HA -0.073 4.408 4.480 0.001 0.000 0.263 233 M C 1.868 178.241 176.300 0.122 0.000 1.065 233 M CA 1.565 56.992 55.300 0.212 0.000 1.122 233 M CB -0.420 32.372 32.600 0.319 0.000 1.365 233 M HN 0.110 nan 8.290 nan 0.000 0.411 234 V N 0.877 120.856 119.914 0.108 0.000 2.324 234 V HA -0.332 3.788 4.120 0.001 0.000 0.250 234 V C 2.387 178.517 176.094 0.059 0.000 1.060 234 V CA 2.442 64.790 62.300 0.081 0.000 1.042 234 V CB -1.122 30.752 31.823 0.085 0.000 0.650 234 V HN 0.706 nan 8.190 nan 0.000 0.450 235 E N 0.256 120.491 120.200 0.058 0.000 2.106 235 E HA -0.271 4.080 4.350 0.001 0.000 0.192 235 E C 2.335 178.940 176.600 0.009 0.000 0.984 235 E CA 1.414 57.834 56.400 0.034 0.000 0.806 235 E CB -0.219 29.499 29.700 0.029 0.000 0.750 235 E HN 0.520 nan 8.360 nan 0.000 0.458 236 K N 1.329 121.739 120.400 0.017 0.000 2.031 236 K HA -0.141 4.180 4.320 0.001 0.000 0.205 236 K C 1.993 178.559 176.600 -0.056 0.000 1.049 236 K CA 1.293 57.560 56.287 -0.034 0.000 0.939 236 K CB -0.099 32.377 32.500 -0.040 0.000 0.717 236 K HN 0.036 nan 8.250 nan 0.000 0.438 237 K N 0.367 120.754 120.400 -0.022 0.000 2.218 237 K HA -0.100 4.221 4.320 0.001 0.000 0.205 237 K C 1.854 178.439 176.600 -0.024 0.000 1.046 237 K CA 1.159 57.431 56.287 -0.024 0.000 0.933 237 K CB -0.001 32.505 32.500 0.011 0.000 0.728 237 K HN 0.219 nan 8.250 nan 0.000 0.454 238 I N 0.255 120.817 120.570 -0.015 0.000 3.645 238 I HA -0.053 4.118 4.170 0.001 0.000 0.300 238 I C 1.872 177.973 176.117 -0.026 0.000 1.260 238 I CA 0.599 61.892 61.300 -0.012 0.000 1.365 238 I CB -0.595 37.405 38.000 -0.001 0.000 1.077 238 I HN 0.118 nan 8.210 nan 0.000 0.439 239 L N 1.199 122.395 121.223 -0.044 0.000 2.005 239 L HA -0.129 4.211 4.340 0.001 0.000 0.207 239 L C 2.715 179.548 176.870 -0.061 0.000 1.072 239 L CA 1.590 56.395 54.840 -0.060 0.000 0.744 239 L CB -0.453 41.563 42.059 -0.073 0.000 0.895 239 L HN 0.189 nan 8.230 nan 0.000 0.433 240 A N -0.605 122.168 122.820 -0.078 0.000 2.067 240 A HA -0.217 4.103 4.320 0.001 0.000 0.219 240 A C 2.256 179.811 177.584 -0.049 0.000 1.158 240 A CA 1.466 53.452 52.037 -0.086 0.000 0.661 240 A CB -0.354 18.572 19.000 -0.124 0.000 0.801 240 A HN 0.315 nan 8.150 nan 0.000 0.452 241 K N -0.117 120.267 120.400 -0.027 0.000 2.459 241 K HA 0.086 4.407 4.320 0.001 0.000 0.193 241 K C 0.071 176.706 176.600 0.058 0.000 1.030 241 K CA 0.748 57.037 56.287 0.004 0.000 1.026 241 K CB -0.032 32.470 32.500 0.002 0.000 0.809 241 K HN 0.414 nan 8.250 nan 0.000 0.504 242 V N -1.034 118.913 119.914 0.055 0.000 2.735 242 V HA 0.397 4.518 4.120 0.001 0.000 0.310 242 V C -1.371 174.729 176.094 0.009 0.000 1.061 242 V CA -0.994 61.367 62.300 0.100 0.000 0.913 242 V CB 1.477 33.339 31.823 0.065 0.000 1.005 242 V HN 0.156 nan 8.190 nan 0.000 0.428 243 H N 2.288 121.261 119.070 -0.162 0.000 2.569 243 H HA 0.667 5.223 4.556 0.001 0.000 0.247 243 H C -0.777 174.333 175.328 -0.364 0.000 1.346 243 H CA 0.313 56.238 56.048 -0.206 0.000 1.502 243 H CB 0.736 30.444 29.762 -0.091 0.000 1.512 243 H HN 0.929 nan 8.280 nan 0.000 0.502 244 S N 2.614 117.877 115.700 -0.727 0.000 2.478 244 S HA 0.210 4.681 4.470 0.001 0.000 0.312 244 S C 0.857 175.056 174.600 -0.669 0.000 1.094 244 S CA -1.015 56.776 58.200 -0.682 0.000 1.081 244 S CB 0.519 63.346 63.200 -0.622 0.000 1.007 244 S HN 0.844 nan 8.310 nan 0.000 0.475 245 R N 3.041 123.022 120.500 -0.864 0.000 2.386 245 R HA 0.084 4.424 4.340 0.001 0.000 0.216 245 R C -0.592 175.191 176.300 -0.862 0.000 1.119 245 R CA 0.721 56.346 56.100 -0.793 0.000 1.158 245 R CB -0.710 29.195 30.300 -0.659 0.000 1.057 245 R HN 0.561 nan 8.270 nan 0.000 0.489 246 F N 0.158 120.020 119.950 -0.147 0.000 2.683 246 F HA 0.478 5.006 4.527 0.001 0.000 0.306 246 F C 0.238 175.957 175.800 -0.135 0.000 1.102 246 F CA -0.730 57.210 58.000 -0.100 0.000 1.244 246 F CB 0.484 39.444 39.000 -0.066 0.000 1.029 246 F HN -0.114 nan 8.300 nan 0.000 0.545 247 I N 1.318 121.825 120.570 -0.106 0.000 2.533 247 I HA 0.268 4.438 4.170 0.001 0.000 0.290 247 I C -0.333 175.696 176.117 -0.146 0.000 1.056 247 I CA -1.654 59.564 61.300 -0.137 0.000 1.057 247 I CB 2.377 40.267 38.000 -0.184 0.000 1.240 247 I HN -0.212 nan 8.210 nan 0.000 0.423 248 V N 2.545 122.398 119.914 -0.102 0.000 2.441 248 V HA 0.075 4.196 4.120 0.001 0.000 0.279 248 V C 0.488 176.541 176.094 -0.068 0.000 0.990 248 V CA -0.055 62.206 62.300 -0.065 0.000 1.116 248 V CB -0.324 31.477 31.823 -0.038 0.000 0.977 248 V HN 0.735 nan 8.190 nan 0.000 0.470 249 S N 6.859 122.528 115.700 -0.052 0.000 2.422 249 S HA 0.454 4.925 4.470 0.001 0.000 0.283 249 S C -0.213 174.386 174.600 -0.002 0.000 1.163 249 S CA -0.441 57.748 58.200 -0.017 0.000 1.054 249 S CB 0.801 64.034 63.200 0.055 0.000 0.967 249 S HN 0.848 nan 8.310 nan 0.000 0.499 250 L N 3.851 125.043 121.223 -0.052 0.000 2.410 250 L HA 0.470 4.810 4.340 0.001 0.000 0.273 250 L C 0.831 177.598 176.870 -0.171 0.000 1.152 250 L CA 0.435 55.211 54.840 -0.107 0.000 0.855 250 L CB 0.461 42.447 42.059 -0.121 0.000 1.129 250 L HN 0.670 nan 8.230 nan 0.000 0.463 251 A N 4.072 126.719 122.820 -0.289 0.000 1.984 251 A HA 0.294 4.615 4.320 0.001 0.000 0.203 251 A C -0.053 177.120 177.584 -0.686 0.000 1.292 251 A CA 0.448 52.170 52.037 -0.525 0.000 0.782 251 A CB -0.081 18.453 19.000 -0.776 0.000 0.924 251 A HN 0.673 nan 8.150 nan 0.000 0.475 252 Y N -2.198 117.984 120.300 -0.198 0.000 2.638 252 Y HA 0.678 5.228 4.550 0.001 0.000 0.339 252 Y C -0.140 175.672 175.900 -0.147 0.000 1.084 252 Y CA -0.645 57.389 58.100 -0.111 0.000 1.068 252 Y CB 1.969 40.410 38.460 -0.032 0.000 1.294 252 Y HN 0.235 nan 8.280 nan 0.000 0.480 253 A N 1.792 124.671 122.820 0.097 0.000 2.480 253 A HA 0.776 5.096 4.320 0.001 0.000 0.289 253 A C -1.678 175.923 177.584 0.028 0.000 1.044 253 A CA -0.559 51.371 52.037 -0.178 0.000 0.761 253 A CB 0.293 19.011 19.000 -0.470 0.000 1.289 253 A HN 0.732 nan 8.150 nan 0.000 0.401 254 F N 0.035 119.966 119.950 -0.030 0.000 2.715 254 F HA 0.845 5.372 4.527 0.001 0.000 0.318 254 F C -0.507 175.356 175.800 0.104 0.000 1.141 254 F CA -1.019 56.996 58.000 0.025 0.000 0.950 254 F CB 1.312 40.311 39.000 -0.003 0.000 1.374 254 F HN 0.558 nan 8.300 nan 0.000 0.477 255 E N -0.694 119.661 120.200 0.258 0.000 2.191 255 E HA 0.471 4.822 4.350 0.001 0.000 0.263 255 E C -0.347 176.325 176.600 0.120 0.000 0.881 255 E CA -0.582 55.865 56.400 0.078 0.000 0.757 255 E CB 2.132 31.840 29.700 0.012 0.000 1.147 255 E HN 0.788 nan 8.360 nan 0.000 0.414 256 T N 1.709 116.296 114.554 0.054 0.000 3.000 256 T HA 0.195 4.546 4.350 0.001 0.000 0.233 256 T C 1.170 175.858 174.700 -0.020 0.000 1.036 256 T CA 1.008 63.147 62.100 0.064 0.000 1.333 256 T CB -0.061 68.841 68.868 0.058 0.000 1.048 256 T HN 0.523 nan 8.240 nan 0.000 0.425 257 K N -1.175 119.175 120.400 -0.083 0.000 2.947 257 K HA 0.050 4.371 4.320 0.001 0.000 0.213 257 K C 2.200 178.729 176.600 -0.118 0.000 2.404 257 K CA 0.781 57.009 56.287 -0.098 0.000 1.481 257 K CB -0.530 31.951 32.500 -0.031 0.000 2.676 257 K HN 0.419 nan 8.250 nan 0.000 0.516 258 T N -0.693 113.819 114.554 -0.069 0.000 2.937 258 T HA 0.096 4.446 4.350 0.001 0.000 0.260 258 T C 0.296 174.939 174.700 -0.094 0.000 1.051 258 T CA 0.984 63.057 62.100 -0.045 0.000 1.141 258 T CB -0.074 68.790 68.868 -0.006 0.000 0.879 258 T HN 0.014 nan 8.240 nan 0.000 0.459 259 D N -0.222 120.101 120.400 -0.128 0.000 2.490 259 D HA 0.670 5.311 4.640 0.001 0.000 0.232 259 D C -1.124 175.025 176.300 -0.253 0.000 1.053 259 D CA -0.628 53.277 54.000 -0.159 0.000 0.914 259 D CB 1.927 42.670 40.800 -0.095 0.000 1.431 259 D HN 0.160 nan 8.370 nan 0.000 0.483 260 L N 0.735 121.771 121.223 -0.312 0.000 2.325 260 L HA 0.678 5.018 4.340 0.001 0.000 0.278 260 L C -0.729 175.960 176.870 -0.302 0.000 1.023 260 L CA -0.686 53.931 54.840 -0.371 0.000 0.811 260 L CB 1.391 43.059 42.059 -0.651 0.000 1.249 260 L HN 0.406 nan 8.230 nan 0.000 0.431 261 C N 2.606 121.661 119.300 -0.408 0.000 2.971 261 C HA 0.714 5.175 4.460 0.001 0.000 0.310 261 C C -0.398 174.307 174.990 -0.475 0.000 1.285 261 C CA -0.938 57.760 59.018 -0.532 0.000 1.593 261 C CB 2.015 29.207 27.740 -0.913 0.000 2.076 261 C HN 0.646 nan 8.230 nan 0.000 0.472 262 L N 1.708 122.736 121.223 -0.326 0.000 2.680 262 L HA 0.264 4.604 4.340 0.001 0.000 0.260 262 L C -0.731 176.052 176.870 -0.145 0.000 0.975 262 L CA -0.164 54.544 54.840 -0.221 0.000 0.920 262 L CB 1.364 43.344 42.059 -0.132 0.000 1.234 262 L HN 0.512 nan 8.230 nan 0.000 0.429 263 V N 5.060 124.893 119.914 -0.134 0.000 2.540 263 V HA 0.168 4.288 4.120 0.001 0.000 0.297 263 V C 0.478 176.502 176.094 -0.118 0.000 1.024 263 V CA 0.608 62.832 62.300 -0.127 0.000 1.105 263 V CB 1.065 32.746 31.823 -0.238 0.000 0.938 263 V HN 0.718 nan 8.190 nan 0.000 0.482 264 M N 3.211 122.826 119.600 0.025 0.000 2.658 264 M HA 0.546 5.026 4.480 0.001 0.000 0.295 264 M C -0.287 176.183 176.300 0.283 0.000 1.248 264 M CA -0.719 54.634 55.300 0.088 0.000 0.843 264 M CB 1.898 34.517 32.600 0.032 0.000 1.749 264 M HN 0.270 nan 8.290 nan 0.000 0.464 265 T N 2.850 117.553 114.554 0.248 0.000 2.961 265 T HA 0.247 4.598 4.350 0.001 0.000 0.270 265 T C 0.538 175.310 174.700 0.121 0.000 0.926 265 T CA -0.200 62.045 62.100 0.241 0.000 1.112 265 T CB -1.029 67.926 68.868 0.145 0.000 0.926 265 T HN 0.658 nan 8.240 nan 0.000 0.612 266 I N 3.390 124.034 120.570 0.123 0.000 3.279 266 I HA -0.214 3.956 4.170 0.001 0.000 0.327 266 I C -0.348 175.791 176.117 0.038 0.000 1.037 266 I CA 0.963 62.303 61.300 0.067 0.000 1.970 266 I CB 0.187 38.209 38.000 0.037 0.000 1.069 266 I HN 0.514 nan 8.210 nan 0.000 0.417 267 M N 8.024 127.641 119.600 0.028 0.000 2.224 267 M HA 0.229 4.709 4.480 0.001 0.000 0.281 267 M C -0.090 176.211 176.300 0.002 0.000 1.025 267 M CA -0.454 54.857 55.300 0.018 0.000 0.954 267 M CB 1.233 33.842 32.600 0.015 0.000 1.639 267 M HN 0.745 nan 8.290 nan 0.000 0.461 268 N N 1.931 120.636 118.700 0.008 0.000 2.063 268 N HA 0.122 4.863 4.740 0.001 0.000 0.238 268 N C 1.411 176.904 175.510 -0.028 0.000 1.094 268 N CA 0.996 54.042 53.050 -0.006 0.000 1.128 268 N CB 0.259 38.756 38.487 0.016 0.000 1.498 268 N HN 0.773 nan 8.380 nan 0.000 0.563 269 G N -0.097 108.714 108.800 0.018 0.000 2.946 269 G HA2 -0.186 3.775 3.960 0.001 0.000 0.290 269 G HA3 -0.186 3.775 3.960 0.001 0.000 0.290 269 G C 0.587 175.390 174.900 -0.163 0.000 1.077 269 G CA 2.007 47.129 45.100 0.035 0.000 0.808 269 G HN 0.896 nan 8.290 nan 0.000 0.792 270 G N -1.500 107.180 108.800 -0.199 0.000 2.341 270 G HA2 0.509 4.469 3.960 0.001 0.000 0.299 270 G HA3 0.509 4.469 3.960 0.001 0.000 0.299 270 G C -1.398 173.338 174.900 -0.273 0.000 1.274 270 G CA 0.406 45.182 45.100 -0.541 0.000 0.853 270 G HN 0.813 nan 8.290 nan 0.000 0.493 271 D N -1.049 119.187 120.400 -0.274 0.000 2.506 271 D HA 0.511 5.151 4.640 0.001 0.000 0.272 271 D C 1.400 177.685 176.300 -0.025 0.000 1.214 271 D CA -0.770 53.186 54.000 -0.073 0.000 1.067 271 D CB 0.945 41.734 40.800 -0.019 0.000 1.117 271 D HN 0.157 nan 8.370 nan 0.000 0.578 272 I N -0.800 119.832 120.570 0.103 0.000 2.353 272 I HA -0.078 4.092 4.170 0.001 0.000 0.248 272 I C 2.366 178.659 176.117 0.292 0.000 1.119 272 I CA 0.959 62.410 61.300 0.252 0.000 1.417 272 I CB -1.120 37.009 38.000 0.215 0.000 1.078 272 I HN 0.575 nan 8.210 nan 0.000 0.421 273 R N 0.240 120.869 120.500 0.214 0.000 2.083 273 R HA -0.259 4.081 4.340 0.001 0.000 0.237 273 R C 2.479 178.916 176.300 0.228 0.000 1.137 273 R CA 1.733 57.991 56.100 0.263 0.000 0.951 273 R CB -0.593 29.815 30.300 0.180 0.000 0.851 273 R HN 0.185 nan 8.270 nan 0.000 0.434 274 Y N 0.595 120.874 120.300 -0.035 0.000 2.133 274 Y HA -0.376 4.175 4.550 0.001 0.000 0.279 274 Y C 2.420 178.259 175.900 -0.103 0.000 1.209 274 Y CA 2.335 60.350 58.100 -0.142 0.000 1.152 274 Y CB -0.143 38.116 38.460 -0.334 0.000 0.961 274 Y HN 0.317 nan 8.280 nan 0.000 0.512 275 H N -1.610 117.661 119.070 0.335 0.000 2.344 275 H HA -0.005 4.551 4.556 0.001 0.000 0.307 275 H C 2.565 178.048 175.328 0.258 0.000 1.057 275 H CA 1.430 57.673 56.048 0.325 0.000 1.373 275 H CB -0.748 29.243 29.762 0.381 0.000 1.421 275 H HN 0.312 nan 8.280 nan 0.000 0.532 276 I N 0.457 121.186 120.570 0.263 0.000 2.087 276 I HA -0.377 3.794 4.170 0.001 0.000 0.240 276 I C 2.161 178.086 176.117 -0.320 0.000 1.054 276 I CA 1.943 62.975 61.300 -0.447 0.000 1.311 276 I CB -0.391 37.380 38.000 -0.381 0.000 1.024 276 I HN 0.137 nan 8.210 nan 0.000 0.402 277 Y N -0.412 119.833 120.300 -0.092 0.000 2.301 277 Y HA 0.001 4.552 4.550 0.001 0.000 0.295 277 Y C 1.850 177.708 175.900 -0.070 0.000 1.119 277 Y CA 1.135 59.187 58.100 -0.080 0.000 1.162 277 Y CB -0.101 38.323 38.460 -0.060 0.000 1.046 277 Y HN 0.165 nan 8.280 nan 0.000 0.538 278 N N -1.177 117.575 118.700 0.085 0.000 2.200 278 N HA 0.094 4.835 4.740 0.001 0.000 0.224 278 N C 0.976 176.484 175.510 -0.002 0.000 1.179 278 N CA -0.075 52.967 53.050 -0.013 0.000 0.877 278 N CB 0.803 39.201 38.487 -0.149 0.000 1.072 278 N HN -0.010 nan 8.380 nan 0.000 0.519 279 V N 0.348 120.307 119.914 0.075 0.000 2.249 279 V HA -0.076 4.045 4.120 0.001 0.000 0.239 279 V C 0.285 176.411 176.094 0.053 0.000 1.038 279 V CA 1.538 63.902 62.300 0.107 0.000 1.005 279 V CB 0.044 31.960 31.823 0.156 0.000 0.646 279 V HN 0.210 nan 8.190 nan 0.000 0.455 280 D N -1.540 118.878 120.400 0.030 0.000 2.425 280 D HA 0.297 4.937 4.640 0.001 0.000 0.240 280 D C 0.589 176.889 176.300 -0.000 0.000 1.080 280 D CA -0.186 53.823 54.000 0.015 0.000 0.836 280 D CB 1.872 42.676 40.800 0.007 0.000 1.125 280 D HN 0.225 nan 8.370 nan 0.000 0.525 281 E N 1.450 121.653 120.200 0.005 0.000 2.008 281 E HA -0.084 4.267 4.350 0.001 0.000 0.191 281 E C 0.931 177.527 176.600 -0.006 0.000 0.986 281 E CA 0.861 57.261 56.400 0.001 0.000 0.807 281 E CB 0.239 29.943 29.700 0.006 0.000 0.766 281 E HN 0.431 nan 8.360 nan 0.000 0.450 282 D N 0.362 120.761 120.400 -0.002 0.000 2.312 282 D HA -0.037 4.603 4.640 0.001 0.000 0.211 282 D C 0.024 176.316 176.300 -0.012 0.000 0.964 282 D CA 0.592 54.590 54.000 -0.004 0.000 0.877 282 D CB -0.049 40.752 40.800 0.001 0.000 0.924 282 D HN -0.005 nan 8.370 nan 0.000 0.515 283 N N 1.741 120.432 118.700 -0.016 0.000 3.044 283 N HA 0.172 4.913 4.740 0.001 0.000 0.254 283 N C -2.517 172.961 175.510 -0.053 0.000 1.253 283 N CA -1.153 51.881 53.050 -0.027 0.000 0.944 283 N CB 1.451 39.929 38.487 -0.014 0.000 1.217 283 N HN 0.093 nan 8.380 nan 0.000 0.498 284 P HA 0.260 nan 4.420 nan 0.000 0.274 284 P C 0.721 177.890 177.300 -0.218 0.000 1.231 284 P CA 0.390 63.406 63.100 -0.141 0.000 0.790 284 P CB 0.891 32.511 31.700 -0.133 0.000 0.951 285 G N 1.166 109.741 108.800 -0.375 0.000 2.642 285 G HA2 -0.173 3.788 3.960 0.001 0.000 0.231 285 G HA3 -0.173 3.788 3.960 0.001 0.000 0.231 285 G C -0.857 173.772 174.900 -0.452 0.000 1.338 285 G CA -0.571 44.176 45.100 -0.588 0.000 0.883 285 G HN 0.432 nan 8.290 nan 0.000 0.570 286 F N 0.012 119.915 119.950 -0.079 0.000 2.613 286 F HA 0.602 5.130 4.527 0.001 0.000 0.342 286 F C 1.126 176.872 175.800 -0.089 0.000 1.066 286 F CA -1.275 56.686 58.000 -0.065 0.000 1.002 286 F CB 1.194 40.191 39.000 -0.004 0.000 1.319 286 F HN 0.466 nan 8.300 nan 0.000 0.495 287 Q N 0.351 120.234 119.800 0.137 0.000 2.286 287 Q HA 0.092 4.432 4.340 0.001 0.000 0.169 287 Q C 0.932 176.921 176.000 -0.019 0.000 1.082 287 Q CA -0.023 55.790 55.803 0.016 0.000 1.101 287 Q CB 0.279 29.013 28.738 -0.006 0.000 1.877 287 Q HN 0.753 nan 8.270 nan 0.000 0.561 288 E N -0.238 119.926 120.200 -0.060 0.000 2.079 288 E HA -0.037 4.314 4.350 0.001 0.000 0.191 288 E C -1.015 175.535 176.600 -0.084 0.000 0.961 288 E CA 0.133 56.479 56.400 -0.089 0.000 0.823 288 E CB -0.353 29.285 29.700 -0.103 0.000 0.789 288 E HN 0.304 nan 8.360 nan 0.000 0.459 289 P HA -0.053 nan 4.420 nan 0.000 0.229 289 P C 0.924 178.146 177.300 -0.129 0.000 1.160 289 P CA 0.766 63.812 63.100 -0.091 0.000 0.777 289 P CB 0.033 31.678 31.700 -0.092 0.000 0.814 290 R N 0.279 120.683 120.500 -0.160 0.000 2.062 290 R HA 0.000 4.341 4.340 0.001 0.000 0.229 290 R C 2.086 178.183 176.300 -0.337 0.000 1.128 290 R CA 1.490 57.402 56.100 -0.314 0.000 0.960 290 R CB -0.739 29.427 30.300 -0.222 0.000 0.855 290 R HN 0.061 nan 8.270 nan 0.000 0.432 291 A N 0.933 123.730 122.820 -0.038 0.000 1.898 291 A HA -0.090 4.231 4.320 0.001 0.000 0.216 291 A C 2.142 179.789 177.584 0.105 0.000 1.181 291 A CA 1.095 53.219 52.037 0.145 0.000 0.620 291 A CB -0.472 18.643 19.000 0.192 0.000 0.819 291 A HN 0.343 nan 8.150 nan 0.000 0.442 292 I N -1.713 118.870 120.570 0.022 0.000 2.127 292 I HA -0.284 3.886 4.170 0.001 0.000 0.241 292 I C 2.360 178.546 176.117 0.113 0.000 1.075 292 I CA 1.938 63.257 61.300 0.033 0.000 1.334 292 I CB -0.363 37.591 38.000 -0.077 0.000 1.040 292 I HN 0.473 nan 8.210 nan 0.000 0.405 293 F N 0.891 120.753 119.950 -0.146 0.000 2.120 293 F HA -0.319 4.209 4.527 0.001 0.000 0.300 293 F C 2.250 178.012 175.800 -0.063 0.000 1.095 293 F CA 1.782 59.676 58.000 -0.177 0.000 1.249 293 F CB -0.321 38.458 39.000 -0.369 0.000 0.995 293 F HN 0.019 nan 8.300 nan 0.000 0.480 294 Y N 0.058 120.474 120.300 0.194 0.000 2.220 294 Y HA -0.106 4.445 4.550 0.001 0.000 0.291 294 Y C 2.699 178.654 175.900 0.091 0.000 1.129 294 Y CA 1.375 59.544 58.100 0.116 0.000 1.161 294 Y CB -1.604 36.938 38.460 0.136 0.000 0.997 294 Y HN -0.041 nan 8.280 nan 0.000 0.522 295 T N 0.159 114.896 114.554 0.306 0.000 2.759 295 T HA -0.215 4.135 4.350 0.001 0.000 0.269 295 T C 2.228 177.103 174.700 0.293 0.000 1.042 295 T CA 1.399 63.688 62.100 0.316 0.000 1.140 295 T CB -0.582 68.511 68.868 0.376 0.000 0.864 295 T HN 0.420 nan 8.240 nan 0.000 0.455 296 A N 1.366 124.344 122.820 0.264 0.000 1.873 296 A HA -0.114 4.207 4.320 0.001 0.000 0.215 296 A C 2.317 179.839 177.584 -0.103 0.000 1.186 296 A CA 1.233 53.358 52.037 0.146 0.000 0.616 296 A CB -0.638 18.344 19.000 -0.030 0.000 0.823 296 A HN 0.477 nan 8.150 nan 0.000 0.442 297 Q N -0.639 119.021 119.800 -0.233 0.000 2.181 297 Q HA -0.166 4.174 4.340 0.001 0.000 0.205 297 Q C 2.002 177.652 176.000 -0.583 0.000 0.980 297 Q CA 1.556 57.083 55.803 -0.462 0.000 0.862 297 Q CB -0.345 28.381 28.738 -0.020 0.000 0.905 297 Q HN 0.770 nan 8.270 nan 0.000 0.429 298 I N -0.371 120.105 120.570 -0.157 0.000 2.252 298 I HA -0.239 3.932 4.170 0.001 0.000 0.245 298 I C 2.204 178.276 176.117 -0.076 0.000 1.102 298 I CA 0.643 61.912 61.300 -0.052 0.000 1.385 298 I CB -0.253 37.813 38.000 0.109 0.000 1.064 298 I HN -0.003 nan 8.210 nan 0.000 0.414 299 V N 0.289 120.181 119.914 -0.036 0.000 2.324 299 V HA -0.319 3.802 4.120 0.001 0.000 0.250 299 V C 2.418 178.462 176.094 -0.084 0.000 1.060 299 V CA 2.365 64.671 62.300 0.009 0.000 1.042 299 V CB -0.684 31.108 31.823 -0.050 0.000 0.650 299 V HN 0.403 nan 8.190 nan 0.000 0.450 300 S N 0.043 115.554 115.700 -0.314 0.000 2.446 300 S HA 0.026 4.496 4.470 0.001 0.000 0.225 300 S C 2.020 176.567 174.600 -0.088 0.000 1.016 300 S CA 0.868 58.908 58.200 -0.266 0.000 0.943 300 S CB -0.131 62.814 63.200 -0.425 0.000 0.786 300 S HN 0.680 nan 8.310 nan 0.000 0.508 301 G N 1.879 110.563 108.800 -0.193 0.000 2.402 301 G HA2 -0.091 3.870 3.960 0.001 0.000 0.216 301 G HA3 -0.091 3.870 3.960 0.001 0.000 0.216 301 G C 1.293 176.168 174.900 -0.041 0.000 1.162 301 G CA 0.412 45.567 45.100 0.092 0.000 0.777 301 G HN 0.420 nan 8.290 nan 0.000 0.539 302 L N 0.212 121.382 121.223 -0.088 0.000 2.141 302 L HA -0.024 4.317 4.340 0.001 0.000 0.209 302 L C 2.820 179.538 176.870 -0.253 0.000 1.094 302 L CA 1.029 55.709 54.840 -0.266 0.000 0.763 302 L CB -0.247 41.793 42.059 -0.031 0.000 0.908 302 L HN 0.264 nan 8.230 nan 0.000 0.437 303 E N 0.202 120.447 120.200 0.075 0.000 2.058 303 E HA -0.320 4.030 4.350 0.001 0.000 0.194 303 E C 2.000 178.645 176.600 0.074 0.000 0.997 303 E CA 1.945 58.476 56.400 0.218 0.000 0.801 303 E CB -0.083 29.729 29.700 0.187 0.000 0.746 303 E HN 0.575 nan 8.360 nan 0.000 0.450 304 H N 0.408 119.453 119.070 -0.042 0.000 2.357 304 H HA -0.003 4.554 4.556 0.001 0.000 0.301 304 H C 2.313 177.514 175.328 -0.211 0.000 1.082 304 H CA 1.524 57.533 56.048 -0.065 0.000 1.342 304 H CB -0.156 29.597 29.762 -0.015 0.000 1.389 304 H HN 0.122 nan 8.280 nan 0.000 0.511 305 L N 0.050 121.132 121.223 -0.235 0.000 2.013 305 L HA -0.293 4.047 4.340 0.001 0.000 0.212 305 L C 1.377 177.871 176.870 -0.626 0.000 1.073 305 L CA 2.265 56.819 54.840 -0.476 0.000 0.753 305 L CB -0.337 41.247 42.059 -0.791 0.000 0.890 305 L HN 0.578 nan 8.230 nan 0.000 0.432 306 H N -2.072 116.574 119.070 -0.708 0.000 2.562 306 H HA 0.010 4.567 4.556 0.001 0.000 0.267 306 H C 2.122 176.832 175.328 -1.030 0.000 0.959 306 H CA 0.079 55.279 56.048 -1.415 0.000 1.204 306 H CB 0.340 28.699 29.762 -2.340 0.000 1.430 306 H HN 0.392 nan 8.280 nan 0.000 0.545 307 Q N 0.887 120.499 119.800 -0.313 0.000 2.181 307 Q HA -0.118 4.222 4.340 0.001 0.000 0.205 307 Q C 1.253 177.236 176.000 -0.028 0.000 0.980 307 Q CA 1.178 57.016 55.803 0.058 0.000 0.862 307 Q CB 0.114 28.845 28.738 -0.011 0.000 0.905 307 Q HN 0.412 nan 8.270 nan 0.000 0.429 308 R N 0.461 120.888 120.500 -0.122 0.000 2.426 308 R HA 0.065 4.406 4.340 0.001 0.000 0.263 308 R C -0.677 175.614 176.300 -0.015 0.000 0.961 308 R CA -0.121 55.946 56.100 -0.056 0.000 1.086 308 R CB 0.337 30.602 30.300 -0.058 0.000 1.186 308 R HN 0.186 nan 8.270 nan 0.000 0.537 309 N N 0.935 119.616 118.700 -0.032 0.000 2.648 309 N HA -0.183 4.558 4.740 0.001 0.000 0.265 309 N C -1.325 174.304 175.510 0.198 0.000 1.100 309 N CA 1.016 54.160 53.050 0.158 0.000 0.715 309 N CB -1.017 37.602 38.487 0.219 0.000 0.881 309 N HN 0.288 nan 8.380 nan 0.000 0.548 310 I N 0.317 120.919 120.570 0.053 0.000 2.752 310 I HA 0.493 4.664 4.170 0.001 0.000 0.295 310 I C 0.031 176.320 176.117 0.288 0.000 1.219 310 I CA -0.922 60.483 61.300 0.175 0.000 1.030 310 I CB 2.046 40.060 38.000 0.023 0.000 1.259 310 I HN -0.015 nan 8.210 nan 0.000 0.423 311 I N 3.471 124.288 120.570 0.411 0.000 2.648 311 I HA 0.273 4.443 4.170 0.001 0.000 0.304 311 I C -0.183 176.137 176.117 0.338 0.000 1.009 311 I CA -0.578 61.009 61.300 0.479 0.000 1.114 311 I CB 1.895 40.153 38.000 0.429 0.000 1.293 311 I HN 0.601 nan 8.210 nan 0.000 0.449 312 Y N 3.476 123.870 120.300 0.157 0.000 2.559 312 Y HA 0.180 4.730 4.550 0.001 0.000 0.279 312 Y C 1.734 177.680 175.900 0.077 0.000 1.117 312 Y CA 0.127 58.272 58.100 0.075 0.000 1.263 312 Y CB 0.213 38.686 38.460 0.021 0.000 1.230 312 Y HN 0.657 nan 8.280 nan 0.000 0.528 313 R N -0.794 119.750 120.500 0.073 0.000 1.247 313 R HA -0.298 4.042 4.340 0.001 0.000 0.031 313 R C -0.052 176.135 176.300 -0.189 0.000 0.958 313 R CA 2.035 58.106 56.100 -0.048 0.000 1.979 313 R CB -2.019 28.273 30.300 -0.013 0.000 0.185 313 R HN 0.380 nan 8.270 nan 0.000 0.728 314 D N 1.439 121.602 120.400 -0.394 0.000 2.411 314 D HA 0.434 5.075 4.640 0.001 0.000 0.225 314 D C -1.314 174.459 176.300 -0.879 0.000 1.156 314 D CA -0.279 53.447 54.000 -0.456 0.000 0.874 314 D CB 0.785 41.384 40.800 -0.335 0.000 1.034 314 D HN 0.152 nan 8.370 nan 0.000 0.502 315 L N 4.592 125.528 121.223 -0.478 0.000 2.376 315 L HA 0.570 4.911 4.340 0.001 0.000 0.275 315 L C -1.149 175.555 176.870 -0.275 0.000 0.987 315 L CA -0.324 54.341 54.840 -0.291 0.000 0.828 315 L CB 0.954 43.022 42.059 0.015 0.000 1.249 315 L HN 0.502 nan 8.230 nan 0.000 0.409 316 K N 3.181 123.421 120.400 -0.266 0.000 2.578 316 K HA 0.605 4.925 4.320 0.001 0.000 0.287 316 K C -2.885 173.644 176.600 -0.119 0.000 1.010 316 K CA -1.647 54.386 56.287 -0.423 0.000 0.889 316 K CB 0.907 32.833 32.500 -0.957 0.000 1.514 316 K HN 0.062 nan 8.250 nan 0.000 0.424 317 P HA -0.259 nan 4.420 nan 0.000 0.214 317 P C 0.958 178.294 177.300 0.060 0.000 1.163 317 P CA 1.588 64.736 63.100 0.080 0.000 0.883 317 P CB -0.008 31.788 31.700 0.159 0.000 0.788 318 E N -0.597 119.619 120.200 0.028 0.000 2.265 318 E HA -0.173 4.177 4.350 0.001 0.000 0.196 318 E C 0.418 177.027 176.600 0.014 0.000 0.996 318 E CA 1.084 57.498 56.400 0.024 0.000 0.832 318 E CB -1.075 28.629 29.700 0.008 0.000 0.756 318 E HN 0.192 nan 8.360 nan 0.000 0.491 319 N N 0.676 119.378 118.700 0.003 0.000 2.455 319 N HA 0.171 4.912 4.740 0.001 0.000 0.258 319 N C -1.423 174.147 175.510 0.099 0.000 1.158 319 N CA 0.033 53.119 53.050 0.061 0.000 0.893 319 N CB 1.182 39.710 38.487 0.068 0.000 1.173 319 N HN -0.047 nan 8.380 nan 0.000 0.503 320 V N 0.725 120.679 119.914 0.065 0.000 2.777 320 V HA 0.414 4.534 4.120 0.001 0.000 0.306 320 V C -0.303 175.811 176.094 0.034 0.000 1.112 320 V CA -0.808 61.528 62.300 0.060 0.000 0.917 320 V CB 2.418 34.284 31.823 0.071 0.000 1.018 320 V HN -0.001 nan 8.190 nan 0.000 0.426 321 L N 4.004 125.242 121.223 0.025 0.000 2.299 321 L HA 0.720 5.061 4.340 0.001 0.000 0.268 321 L C -0.938 175.947 176.870 0.025 0.000 1.012 321 L CA -0.946 53.904 54.840 0.018 0.000 0.816 321 L CB 1.928 43.993 42.059 0.009 0.000 1.355 321 L HN 0.381 nan 8.230 nan 0.000 0.457 322 L N 1.006 122.260 121.223 0.052 0.000 2.476 322 L HA 0.301 4.641 4.340 0.001 0.000 0.269 322 L C -1.192 175.723 176.870 0.076 0.000 0.965 322 L CA -0.761 54.123 54.840 0.072 0.000 0.845 322 L CB 2.143 44.261 42.059 0.099 0.000 1.259 322 L HN 0.640 nan 8.230 nan 0.000 0.403 323 D N 1.226 121.668 120.400 0.071 0.000 2.411 323 D HA 0.055 4.696 4.640 0.001 0.000 0.251 323 D C 0.325 176.657 176.300 0.053 0.000 1.201 323 D CA -0.404 53.628 54.000 0.053 0.000 0.996 323 D CB 0.946 41.771 40.800 0.042 0.000 1.101 323 D HN 0.375 nan 8.370 nan 0.000 0.504 324 D N -0.442 119.979 120.400 0.036 0.000 2.178 324 D HA -0.133 4.507 4.640 0.001 0.000 0.201 324 D C 1.009 177.317 176.300 0.013 0.000 0.980 324 D CA 1.050 55.064 54.000 0.023 0.000 0.842 324 D CB 0.024 40.834 40.800 0.016 0.000 0.948 324 D HN 0.445 nan 8.370 nan 0.000 0.472 325 D N -0.416 119.998 120.400 0.022 0.000 2.234 325 D HA 0.024 4.664 4.640 0.001 0.000 0.205 325 D C 1.664 177.987 176.300 0.037 0.000 0.962 325 D CA 1.149 55.161 54.000 0.019 0.000 0.855 325 D CB 0.400 41.214 40.800 0.023 0.000 0.951 325 D HN 0.330 nan 8.370 nan 0.000 0.500 326 G N 0.744 109.588 108.800 0.074 0.000 2.148 326 G HA2 -0.205 3.755 3.960 0.001 0.000 0.203 326 G HA3 -0.205 3.755 3.960 0.001 0.000 0.203 326 G C -0.132 174.926 174.900 0.264 0.000 0.993 326 G CA -0.511 44.664 45.100 0.126 0.000 0.661 326 G HN 0.131 nan 8.290 nan 0.000 0.518 327 N N 0.852 119.686 118.700 0.224 0.000 2.444 327 N HA 0.526 5.267 4.740 0.001 0.000 0.262 327 N C 0.724 176.356 175.510 0.202 0.000 0.974 327 N CA 0.264 53.477 53.050 0.271 0.000 0.933 327 N CB 2.186 40.770 38.487 0.161 0.000 1.137 327 N HN 0.727 nan 8.380 nan 0.000 0.498 328 V N 1.076 121.148 119.914 0.262 0.000 3.264 328 V HA 0.580 4.700 4.120 0.001 0.000 0.304 328 V C 0.523 176.709 176.094 0.154 0.000 1.086 328 V CA -0.399 62.003 62.300 0.170 0.000 1.090 328 V CB 0.903 32.812 31.823 0.144 0.000 1.112 328 V HN 0.562 nan 8.190 nan 0.000 0.472 329 R N 1.320 121.878 120.500 0.096 0.000 2.947 329 R HA 0.733 5.074 4.340 0.001 0.000 0.253 329 R C -0.935 175.394 176.300 0.048 0.000 1.208 329 R CA -0.812 55.332 56.100 0.074 0.000 1.012 329 R CB 1.933 32.238 30.300 0.007 0.000 1.267 329 R HN 0.929 nan 8.270 nan 0.000 0.473 330 I N -1.151 119.416 120.570 -0.005 0.000 2.530 330 I HA 0.673 4.844 4.170 0.001 0.000 0.297 330 I C -0.524 175.540 176.117 -0.088 0.000 1.011 330 I CA -0.518 60.752 61.300 -0.050 0.000 1.107 330 I CB 2.136 40.039 38.000 -0.163 0.000 1.285 330 I HN 0.681 nan 8.210 nan 0.000 0.436 331 S N 2.169 117.865 115.700 -0.007 0.000 2.661 331 S HA 0.578 5.048 4.470 0.001 0.000 0.285 331 S C -0.834 173.832 174.600 0.111 0.000 1.138 331 S CA -0.622 57.592 58.200 0.023 0.000 0.855 331 S CB 1.703 64.922 63.200 0.031 0.000 1.136 331 S HN 0.916 nan 8.310 nan 0.000 0.484 332 D N -0.193 120.260 120.400 0.088 0.000 4.733 332 D HA -0.084 4.556 4.640 0.001 0.000 0.239 332 D C -0.832 175.583 176.300 0.193 0.000 1.075 332 D CA 0.345 54.420 54.000 0.125 0.000 1.258 332 D CB -0.493 40.378 40.800 0.119 0.000 0.761 332 D HN 0.489 nan 8.370 nan 0.000 0.378 333 L N 3.310 124.620 121.223 0.145 0.000 3.255 333 L HA 0.402 4.743 4.340 0.001 0.000 0.293 333 L C 2.124 179.079 176.870 0.143 0.000 1.302 333 L CA 0.448 55.386 54.840 0.163 0.000 0.977 333 L CB 0.023 42.125 42.059 0.072 0.000 1.390 333 L HN 0.563 nan 8.230 nan 0.000 0.588 334 G N 0.642 109.537 108.800 0.159 0.000 2.433 334 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 334 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 334 G C 0.974 175.963 174.900 0.148 0.000 1.186 334 G CA 0.108 45.308 45.100 0.167 0.000 0.779 334 G HN 0.327 nan 8.290 nan 0.000 0.543 335 L N 1.698 123.004 121.223 0.139 0.000 2.388 335 L HA 0.444 4.785 4.340 0.001 0.000 0.252 335 L C 0.480 177.468 176.870 0.197 0.000 1.357 335 L CA -0.226 54.686 54.840 0.121 0.000 1.214 335 L CB 0.309 42.388 42.059 0.033 0.000 1.392 335 L HN 0.219 nan 8.230 nan 0.000 0.432 336 A N 2.516 125.442 122.820 0.176 0.000 3.409 336 A HA 0.359 4.680 4.320 0.001 0.000 0.282 336 A C -0.492 177.176 177.584 0.140 0.000 1.064 336 A CA -0.348 51.796 52.037 0.178 0.000 0.889 336 A CB 0.650 19.734 19.000 0.139 0.000 1.251 336 A HN 0.205 nan 8.150 nan 0.000 0.538 337 V N 0.676 120.681 119.914 0.151 0.000 2.775 337 V HA 0.308 4.429 4.120 0.001 0.000 0.299 337 V C 0.360 176.534 176.094 0.135 0.000 1.062 337 V CA -0.023 62.355 62.300 0.131 0.000 1.063 337 V CB 1.391 33.291 31.823 0.129 0.000 0.994 337 V HN 0.752 nan 8.190 nan 0.000 0.483 338 E N 4.922 125.187 120.200 0.108 0.000 2.191 338 E HA 0.451 4.802 4.350 0.001 0.000 0.278 338 E C -1.232 175.426 176.600 0.097 0.000 0.972 338 E CA -0.679 55.783 56.400 0.104 0.000 0.804 338 E CB 1.437 31.184 29.700 0.078 0.000 1.110 338 E HN 0.689 nan 8.360 nan 0.000 0.394 339 L N 4.231 125.526 121.223 0.119 0.000 2.307 339 L HA 0.357 4.698 4.340 0.001 0.000 0.282 339 L C 0.524 177.440 176.870 0.077 0.000 1.051 339 L CA -0.528 54.367 54.840 0.091 0.000 0.804 339 L CB 1.317 43.447 42.059 0.118 0.000 1.197 339 L HN 0.560 nan 8.230 nan 0.000 0.431 340 K N 1.816 122.247 120.400 0.050 0.000 2.851 340 K HA 0.690 5.011 4.320 0.001 0.000 0.321 340 K C -0.362 176.265 176.600 0.044 0.000 0.977 340 K CA -0.520 55.792 56.287 0.043 0.000 1.366 340 K CB 0.213 32.731 32.500 0.029 0.000 1.524 340 K HN 0.604 nan 8.250 nan 0.000 0.683 341 A N -0.459 122.381 122.820 0.034 0.000 2.343 341 A HA 0.585 4.906 4.320 0.001 0.000 0.308 341 A C 0.378 177.977 177.584 0.025 0.000 1.092 341 A CA 0.002 52.059 52.037 0.033 0.000 0.751 341 A CB 0.803 19.821 19.000 0.030 0.000 1.203 341 A HN 0.711 nan 8.150 nan 0.000 0.452 342 G N 0.993 109.808 108.800 0.026 0.000 2.279 342 G HA2 -0.229 3.732 3.960 0.001 0.000 0.223 342 G HA3 -0.229 3.732 3.960 0.001 0.000 0.223 342 G C 0.538 175.445 174.900 0.012 0.000 1.015 342 G CA 0.532 45.643 45.100 0.018 0.000 0.621 342 G HN 1.012 nan 8.290 nan 0.000 0.506 343 Q N -0.027 119.779 119.800 0.010 0.000 2.317 343 Q HA 0.635 4.975 4.340 0.001 0.000 0.229 343 Q C 1.416 177.412 176.000 -0.007 0.000 0.984 343 Q CA 0.527 56.328 55.803 -0.003 0.000 0.911 343 Q CB 1.296 30.029 28.738 -0.009 0.000 1.217 343 Q HN 0.249 nan 8.270 nan 0.000 0.501 344 T N 0.472 115.010 114.554 -0.027 0.000 3.071 344 T HA 0.257 4.608 4.350 0.001 0.000 0.239 344 T C -0.267 174.382 174.700 -0.085 0.000 0.997 344 T CA 0.492 62.569 62.100 -0.038 0.000 1.134 344 T CB 0.364 69.211 68.868 -0.035 0.000 0.928 344 T HN 0.478 nan 8.240 nan 0.000 0.453 345 K N 0.020 120.354 120.400 -0.110 0.000 2.469 345 K HA 0.597 4.917 4.320 0.001 0.000 0.268 345 K C -1.463 175.024 176.600 -0.189 0.000 1.027 345 K CA -0.813 55.365 56.287 -0.182 0.000 0.893 345 K CB 2.139 34.522 32.500 -0.195 0.000 1.460 345 K HN 0.050 nan 8.250 nan 0.000 0.449 346 T N 0.231 114.615 114.554 -0.285 0.000 2.900 346 T HA 0.473 4.824 4.350 0.001 0.000 0.303 346 T C -1.624 172.805 174.700 -0.453 0.000 1.142 346 T CA -0.691 61.254 62.100 -0.259 0.000 1.007 346 T CB 1.260 70.036 68.868 -0.154 0.000 1.156 346 T HN 0.459 nan 8.240 nan 0.000 0.490 347 K N 0.934 121.168 120.400 -0.277 0.000 2.306 347 K HA 0.891 5.211 4.320 0.001 0.000 0.236 347 K C -0.106 176.496 176.600 0.003 0.000 1.013 347 K CA -0.865 55.280 56.287 -0.238 0.000 0.857 347 K CB 2.059 34.490 32.500 -0.114 0.000 1.214 347 K HN 0.946 nan 8.250 nan 0.000 0.449 348 G N -0.060 108.841 108.800 0.168 0.000 2.343 348 G HA2 0.153 4.113 3.960 0.001 0.000 0.289 348 G HA3 0.153 4.113 3.960 0.001 0.000 0.289 348 G C -2.404 172.677 174.900 0.301 0.000 1.295 348 G CA -0.783 44.451 45.100 0.224 0.000 0.869 348 G HN 0.485 nan 8.290 nan 0.000 0.522 349 Y N 0.334 120.690 120.300 0.094 0.000 2.325 349 Y HA 0.653 5.204 4.550 0.001 0.000 0.336 349 Y C -0.246 175.672 175.900 0.030 0.000 1.130 349 Y CA 0.476 58.605 58.100 0.048 0.000 1.264 349 Y CB 0.864 39.342 38.460 0.030 0.000 1.128 349 Y HN 1.746 nan 8.280 nan 0.000 0.469 350 A N 2.972 125.737 122.820 -0.091 0.000 2.569 350 A HA 0.808 5.129 4.320 0.001 0.000 0.292 350 A C -0.302 177.217 177.584 -0.110 0.000 1.032 350 A CA -0.033 51.974 52.037 -0.049 0.000 0.669 350 A CB 0.534 19.566 19.000 0.054 0.000 1.290 350 A HN 1.685 nan 8.150 nan 0.000 0.422 351 G N -0.673 108.082 108.800 -0.075 0.000 2.384 351 G HA2 0.538 4.499 3.960 0.001 0.000 0.113 351 G HA3 0.538 4.499 3.960 0.001 0.000 0.113 351 G C -0.662 174.217 174.900 -0.035 0.000 1.224 351 G CA 0.430 45.487 45.100 -0.072 0.000 1.126 351 G HN 1.661 nan 8.290 nan 0.000 0.461 352 T N 2.849 117.407 114.554 0.007 0.000 2.937 352 T HA 0.610 4.961 4.350 0.001 0.000 0.297 352 T C -2.996 171.790 174.700 0.143 0.000 0.991 352 T CA -0.713 61.445 62.100 0.097 0.000 0.990 352 T CB 2.391 71.352 68.868 0.155 0.000 0.991 352 T HN 0.354 nan 8.240 nan 0.000 0.440 353 P HA 0.205 nan 4.420 nan 0.000 0.253 353 P C 1.059 178.383 177.300 0.040 0.000 1.170 353 P CA 1.232 64.356 63.100 0.040 0.000 0.806 353 P CB -0.037 31.683 31.700 0.033 0.000 0.775 354 G N 2.252 111.043 108.800 -0.015 0.000 2.541 354 G HA2 -0.260 3.700 3.960 0.001 0.000 0.201 354 G HA3 -0.260 3.700 3.960 0.001 0.000 0.201 354 G C 0.569 175.293 174.900 -0.293 0.000 1.026 354 G CA -0.385 44.604 45.100 -0.185 0.000 0.687 354 G HN 0.405 nan 8.290 nan 0.000 0.492 355 F N 2.165 122.182 119.950 0.111 0.000 2.695 355 F HA 0.570 5.097 4.527 0.001 0.000 0.303 355 F C 1.724 177.574 175.800 0.083 0.000 1.091 355 F CA -0.148 57.918 58.000 0.110 0.000 1.300 355 F CB 0.134 39.150 39.000 0.026 0.000 1.071 355 F HN 0.044 nan 8.300 nan 0.000 0.578 356 M N 0.697 120.372 119.600 0.126 0.000 2.232 356 M HA 0.305 4.786 4.480 0.001 0.000 0.321 356 M C 0.650 176.892 176.300 -0.097 0.000 1.101 356 M CA -0.222 55.042 55.300 -0.060 0.000 1.181 356 M CB 0.525 33.019 32.600 -0.178 0.000 1.432 356 M HN 0.123 nan 8.290 nan 0.000 0.457 357 A N 2.780 125.409 122.820 -0.318 0.000 2.272 357 A HA 0.427 4.747 4.320 0.001 0.000 0.275 357 A C -1.916 175.287 177.584 -0.636 0.000 1.096 357 A CA -1.464 50.151 52.037 -0.703 0.000 0.822 357 A CB -0.342 18.367 19.000 -0.483 0.000 1.088 357 A HN 0.590 nan 8.150 nan 0.000 0.495 358 P HA -0.199 nan 4.420 nan 0.000 0.215 358 P C 1.116 178.265 177.300 -0.252 0.000 1.157 358 P CA 1.760 64.615 63.100 -0.409 0.000 0.874 358 P CB 0.055 31.544 31.700 -0.352 0.000 0.790 359 E N -0.360 119.708 120.200 -0.220 0.000 2.511 359 E HA -0.074 4.276 4.350 0.001 0.000 0.196 359 E C 1.768 178.328 176.600 -0.066 0.000 1.066 359 E CA 0.451 56.798 56.400 -0.088 0.000 0.871 359 E CB -0.864 28.826 29.700 -0.017 0.000 0.863 359 E HN 0.303 nan 8.360 nan 0.000 0.520 360 L N 0.002 121.069 121.223 -0.260 0.000 2.298 360 L HA 0.120 4.461 4.340 0.001 0.000 0.209 360 L C 2.342 179.054 176.870 -0.264 0.000 1.084 360 L CA 0.189 54.775 54.840 -0.424 0.000 0.816 360 L CB 0.080 41.754 42.059 -0.642 0.000 0.967 360 L HN 0.086 nan 8.230 nan 0.000 0.460 361 L N -0.694 120.395 121.223 -0.224 0.000 2.109 361 L HA -0.171 4.170 4.340 0.001 0.000 0.207 361 L C 2.299 179.190 176.870 0.035 0.000 1.086 361 L CA 0.991 55.732 54.840 -0.165 0.000 0.760 361 L CB -0.166 41.805 42.059 -0.146 0.000 0.910 361 L HN 0.249 nan 8.230 nan 0.000 0.437 362 L N -0.509 120.726 121.223 0.020 0.000 2.141 362 L HA -0.041 4.300 4.340 0.001 0.000 0.209 362 L C 1.148 178.093 176.870 0.125 0.000 1.094 362 L CA 0.936 55.815 54.840 0.066 0.000 0.763 362 L CB -0.511 41.560 42.059 0.020 0.000 0.908 362 L HN 0.507 nan 8.230 nan 0.000 0.437 363 G N 0.478 109.366 108.800 0.147 0.000 2.392 363 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 363 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 363 G C -0.177 174.814 174.900 0.152 0.000 1.097 363 G CA -0.373 44.850 45.100 0.205 0.000 0.840 363 G HN 0.351 nan 8.290 nan 0.000 0.492 364 E N -0.504 119.794 120.200 0.164 0.000 2.518 364 E HA 0.487 4.838 4.350 0.001 0.000 0.248 364 E C -0.053 176.569 176.600 0.037 0.000 1.028 364 E CA -0.954 55.498 56.400 0.087 0.000 0.922 364 E CB 1.233 30.969 29.700 0.060 0.000 1.299 364 E HN 0.365 nan 8.360 nan 0.000 0.457 365 E N 0.970 121.129 120.200 -0.067 0.000 2.180 365 E HA 0.156 4.506 4.350 0.001 0.000 0.283 365 E C -1.319 175.189 176.600 -0.153 0.000 1.061 365 E CA -0.081 56.183 56.400 -0.227 0.000 0.861 365 E CB 0.301 29.904 29.700 -0.161 0.000 1.056 365 E HN 0.256 nan 8.360 nan 0.000 0.407 366 Y N 0.652 120.902 120.300 -0.083 0.000 2.462 366 Y HA 0.350 4.901 4.550 0.001 0.000 0.346 366 Y C -0.054 175.751 175.900 -0.158 0.000 0.976 366 Y CA -1.736 56.305 58.100 -0.099 0.000 1.044 366 Y CB 0.702 39.109 38.460 -0.089 0.000 1.230 366 Y HN 0.339 nan 8.280 nan 0.000 0.455 367 D N 1.746 122.154 120.400 0.013 0.000 2.447 367 D HA 0.054 4.695 4.640 0.001 0.000 0.265 367 D C 0.408 176.640 176.300 -0.114 0.000 1.250 367 D CA -0.498 53.404 54.000 -0.163 0.000 1.046 367 D CB 0.446 41.207 40.800 -0.065 0.000 1.095 367 D HN 0.595 nan 8.370 nan 0.000 0.555 368 F N -0.344 119.600 119.950 -0.011 0.000 2.333 368 F HA -0.125 4.402 4.527 0.001 0.000 0.300 368 F C 2.575 178.296 175.800 -0.132 0.000 1.083 368 F CA 0.983 58.872 58.000 -0.184 0.000 1.395 368 F CB -0.307 38.246 39.000 -0.745 0.000 1.056 368 F HN 0.271 nan 8.300 nan 0.000 0.529 369 S N 0.124 115.958 115.700 0.222 0.000 2.595 369 S HA -0.084 4.386 4.470 0.001 0.000 0.235 369 S C 1.938 176.687 174.600 0.248 0.000 0.974 369 S CA 0.661 59.068 58.200 0.345 0.000 0.942 369 S CB -1.277 62.158 63.200 0.392 0.000 0.766 369 S HN 0.362 nan 8.310 nan 0.000 0.536 370 V N -0.530 119.460 119.914 0.127 0.000 2.626 370 V HA -0.126 3.995 4.120 0.001 0.000 0.252 370 V C 1.705 177.885 176.094 0.144 0.000 1.067 370 V CA 1.781 64.124 62.300 0.071 0.000 1.081 370 V CB -0.792 30.953 31.823 -0.131 0.000 0.686 370 V HN 0.216 nan 8.190 nan 0.000 0.468 371 D N 0.121 120.579 120.400 0.097 0.000 2.091 371 D HA -0.100 4.540 4.640 0.001 0.000 0.199 371 D C 2.063 178.434 176.300 0.117 0.000 0.980 371 D CA 2.048 56.090 54.000 0.069 0.000 0.831 371 D CB -0.589 40.217 40.800 0.010 0.000 0.987 371 D HN 0.632 nan 8.370 nan 0.000 0.460 372 Y N -0.437 120.001 120.300 0.230 0.000 2.333 372 Y HA -0.140 4.411 4.550 0.001 0.000 0.290 372 Y C 2.213 178.209 175.900 0.160 0.000 1.144 372 Y CA 0.264 58.471 58.100 0.178 0.000 1.228 372 Y CB -0.204 38.345 38.460 0.149 0.000 0.985 372 Y HN -0.082 nan 8.280 nan 0.000 0.542 373 F N 0.355 120.424 119.950 0.199 0.000 2.113 373 F HA -0.161 4.366 4.527 0.001 0.000 0.297 373 F C 2.370 178.243 175.800 0.122 0.000 1.103 373 F CA 1.127 59.199 58.000 0.121 0.000 1.248 373 F CB -0.510 38.537 39.000 0.078 0.000 0.999 373 F HN -0.036 nan 8.300 nan 0.000 0.475 374 A N 0.488 123.512 122.820 0.341 0.000 1.908 374 A HA -0.216 4.105 4.320 0.001 0.000 0.218 374 A C 2.098 179.862 177.584 0.301 0.000 1.181 374 A CA 1.839 54.086 52.037 0.350 0.000 0.627 374 A CB -1.349 17.847 19.000 0.327 0.000 0.818 374 A HN 0.530 nan 8.150 nan 0.000 0.445 375 L N 0.322 121.682 121.223 0.229 0.000 2.042 375 L HA -0.063 4.278 4.340 0.001 0.000 0.210 375 L C 2.315 179.278 176.870 0.154 0.000 1.076 375 L CA 2.581 57.552 54.840 0.217 0.000 0.749 375 L CB -1.305 40.907 42.059 0.256 0.000 0.893 375 L HN 0.277 nan 8.230 nan 0.000 0.432 376 G N -0.776 108.048 108.800 0.039 0.000 2.446 376 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 376 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 376 G C 1.514 176.382 174.900 -0.052 0.000 1.168 376 G CA 1.269 46.336 45.100 -0.056 0.000 0.771 376 G HN 0.374 nan 8.290 nan 0.000 0.551 377 V N 1.033 120.852 119.914 -0.158 0.000 2.407 377 V HA -0.170 3.950 4.120 0.001 0.000 0.248 377 V C 3.139 179.334 176.094 0.169 0.000 1.055 377 V CA 2.298 64.482 62.300 -0.194 0.000 1.049 377 V CB -0.932 30.580 31.823 -0.518 0.000 0.662 377 V HN 0.410 nan 8.190 nan 0.000 0.455 378 T N 0.758 115.530 114.554 0.364 0.000 2.701 378 T HA -0.175 4.176 4.350 0.001 0.000 0.263 378 T C 1.933 176.803 174.700 0.283 0.000 1.040 378 T CA 1.723 64.055 62.100 0.388 0.000 1.147 378 T CB -0.408 68.637 68.868 0.294 0.000 0.865 378 T HN 0.315 nan 8.240 nan 0.000 0.426 379 L N 0.297 121.670 121.223 0.249 0.000 2.127 379 L HA -0.054 4.287 4.340 0.001 0.000 0.211 379 L C 2.062 179.075 176.870 0.239 0.000 1.089 379 L CA 1.594 56.578 54.840 0.239 0.000 0.757 379 L CB -0.898 41.297 42.059 0.226 0.000 0.899 379 L HN 0.317 nan 8.230 nan 0.000 0.434 380 Y N 0.375 120.754 120.300 0.133 0.000 2.109 380 Y HA -0.253 4.297 4.550 0.001 0.000 0.285 380 Y C 2.692 178.637 175.900 0.075 0.000 1.131 380 Y CA 2.118 60.300 58.100 0.136 0.000 1.121 380 Y CB -0.073 38.372 38.460 -0.025 0.000 0.987 380 Y HN 0.351 nan 8.280 nan 0.000 0.495 381 E N -0.287 120.104 120.200 0.318 0.000 2.265 381 E HA -0.227 4.124 4.350 0.001 0.000 0.196 381 E C 2.153 178.753 176.600 -0.001 0.000 0.996 381 E CA 0.941 57.452 56.400 0.184 0.000 0.832 381 E CB -0.106 29.758 29.700 0.273 0.000 0.756 381 E HN 0.520 nan 8.360 nan 0.000 0.491 382 M N -0.066 119.569 119.600 0.059 0.000 2.059 382 M HA -0.140 4.340 4.480 0.001 0.000 0.259 382 M C 1.211 177.382 176.300 -0.214 0.000 1.072 382 M CA 1.428 56.721 55.300 -0.012 0.000 1.117 382 M CB 0.017 32.774 32.600 0.262 0.000 1.320 382 M HN 0.133 nan 8.290 nan 0.000 0.408 383 I N -0.761 119.732 120.570 -0.129 0.000 3.801 383 I HA 0.166 4.336 4.170 0.001 0.000 0.338 383 I C 0.800 176.771 176.117 -0.243 0.000 1.513 383 I CA -0.216 60.951 61.300 -0.221 0.000 1.197 383 I CB -0.250 37.560 38.000 -0.317 0.000 1.300 383 I HN 0.186 nan 8.210 nan 0.000 0.433 384 A N 1.061 123.742 122.820 -0.233 0.000 1.827 384 A HA 0.637 4.958 4.320 0.001 0.000 0.196 384 A C 1.402 178.894 177.584 -0.155 0.000 1.833 384 A CA 0.634 52.560 52.037 -0.184 0.000 1.363 384 A CB 0.280 19.139 19.000 -0.235 0.000 1.439 384 A HN 0.579 nan 8.150 nan 0.000 0.391 385 A N -0.348 122.307 122.820 -0.274 0.000 3.009 385 A HA -0.070 4.250 4.320 0.001 0.000 0.264 385 A C 0.272 177.768 177.584 -0.147 0.000 1.408 385 A CA 1.597 53.371 52.037 -0.439 0.000 0.789 385 A CB -2.236 16.563 19.000 -0.335 0.000 1.040 385 A HN 1.845 nan 8.150 nan 0.000 0.576 386 R N -2.145 118.367 120.500 0.020 0.000 2.765 386 R HA 0.566 4.907 4.340 0.001 0.000 0.277 386 R C 0.188 176.587 176.300 0.165 0.000 1.028 386 R CA -0.579 55.617 56.100 0.159 0.000 0.860 386 R CB 0.054 30.427 30.300 0.122 0.000 1.270 386 R HN 1.309 nan 8.270 nan 0.000 0.484 387 G N 1.226 110.085 108.800 0.097 0.000 2.441 387 G HA2 0.302 4.262 3.960 0.001 0.000 0.243 387 G HA3 0.302 4.262 3.960 0.001 0.000 0.243 387 G C -1.525 173.212 174.900 -0.272 0.000 1.281 387 G CA -1.236 43.830 45.100 -0.057 0.000 0.854 387 G HN 0.460 nan 8.290 nan 0.000 0.560 388 P HA -0.150 nan 4.420 nan 0.000 0.215 388 P C 1.297 177.993 177.300 -1.007 0.000 1.153 388 P CA 1.407 63.643 63.100 -1.440 0.000 0.853 388 P CB 0.072 30.746 31.700 -1.709 0.000 0.788 389 F N -0.527 119.182 119.950 -0.401 0.000 2.262 389 F HA 0.088 4.615 4.527 0.001 0.000 0.292 389 F C 2.060 177.756 175.800 -0.173 0.000 1.081 389 F CA 0.187 58.030 58.000 -0.263 0.000 1.355 389 F CB -0.574 38.310 39.000 -0.194 0.000 1.069 389 F HN -0.299 nan 8.300 nan 0.000 0.506 390 R N 0.595 121.111 120.500 0.027 0.000 2.697 390 R HA 0.557 4.897 4.340 0.001 0.000 0.262 390 R C -0.149 176.154 176.300 0.006 0.000 1.255 390 R CA -0.232 55.883 56.100 0.023 0.000 1.136 390 R CB -0.019 30.298 30.300 0.027 0.000 1.169 390 R HN 0.085 nan 8.270 nan 0.000 0.594 391 A N 0.495 123.327 122.820 0.021 0.000 2.311 391 A HA 0.333 4.654 4.320 0.001 0.000 0.334 391 A C -0.380 177.235 177.584 0.050 0.000 1.139 391 A CA -0.741 51.314 52.037 0.032 0.000 0.830 391 A CB 0.793 19.809 19.000 0.027 0.000 1.234 391 A HN 0.705 nan 8.150 nan 0.000 0.483 392 R N 0.976 121.518 120.500 0.071 0.000 2.504 392 R HA 0.308 4.648 4.340 0.001 0.000 0.291 392 R C 0.766 177.113 176.300 0.079 0.000 0.974 392 R CA 1.366 57.532 56.100 0.109 0.000 1.077 392 R CB -0.655 29.721 30.300 0.127 0.000 0.926 392 R HN 2.108 nan 8.270 nan 0.000 0.407 397 E N 1.080 121.283 120.200 0.005 0.000 2.405 397 E HA 0.354 4.705 4.350 0.001 0.000 0.253 397 E C 0.175 176.780 176.600 0.009 0.000 1.257 397 E CA -0.053 56.352 56.400 0.008 0.000 0.960 397 E CB 0.285 29.988 29.700 0.005 0.000 1.077 397 E HN 0.795 nan 8.360 nan 0.000 0.512 398 N N 0.480 119.190 118.700 0.017 0.000 2.412 398 N HA -0.030 4.710 4.740 0.001 0.000 0.184 398 N C 0.807 176.326 175.510 0.015 0.000 1.101 398 N CA 0.488 53.551 53.050 0.022 0.000 0.881 398 N CB 0.205 38.719 38.487 0.045 0.000 0.969 398 N HN 0.252 nan 8.380 nan 0.000 0.459 399 K N 0.722 121.127 120.400 0.007 0.000 2.044 399 K HA -0.048 4.272 4.320 0.001 0.000 0.204 399 K C 1.595 178.180 176.600 -0.025 0.000 1.049 399 K CA 0.785 57.070 56.287 -0.003 0.000 0.945 399 K CB 0.146 32.643 32.500 -0.004 0.000 0.724 399 K HN -0.002 nan 8.250 nan 0.000 0.440 400 E N 1.328 121.512 120.200 -0.026 0.000 2.152 400 E HA -0.140 4.211 4.350 0.001 0.000 0.192 400 E C 1.743 178.307 176.600 -0.061 0.000 0.983 400 E CA 0.556 56.930 56.400 -0.042 0.000 0.818 400 E CB -0.114 29.568 29.700 -0.030 0.000 0.758 400 E HN 0.041 nan 8.360 nan 0.000 0.467 401 L N 1.007 122.205 121.223 -0.041 0.000 2.141 401 L HA -0.058 4.283 4.340 0.001 0.000 0.209 401 L C 2.101 178.920 176.870 -0.086 0.000 1.094 401 L CA 1.941 56.755 54.840 -0.044 0.000 0.763 401 L CB -0.615 41.439 42.059 -0.008 0.000 0.908 401 L HN 0.108 nan 8.230 nan 0.000 0.437 402 K N -1.555 118.801 120.400 -0.073 0.000 2.062 402 K HA -0.148 4.172 4.320 0.001 0.000 0.205 402 K C 2.088 178.606 176.600 -0.136 0.000 1.051 402 K CA 0.933 57.165 56.287 -0.092 0.000 0.941 402 K CB -0.071 32.404 32.500 -0.042 0.000 0.719 402 K HN 0.311 nan 8.250 nan 0.000 0.440 403 Q N 0.533 120.260 119.800 -0.122 0.000 2.224 403 Q HA -0.093 4.248 4.340 0.001 0.000 0.203 403 Q C 1.820 177.687 176.000 -0.222 0.000 0.970 403 Q CA 1.320 57.040 55.803 -0.138 0.000 0.865 403 Q CB 0.179 28.859 28.738 -0.096 0.000 0.922 403 Q HN 0.338 nan 8.270 nan 0.000 0.445 404 R N -0.902 119.423 120.500 -0.291 0.000 2.210 404 R HA 0.049 4.389 4.340 0.001 0.000 0.203 404 R C 2.239 177.899 176.300 -1.067 0.000 1.010 404 R CA 0.224 56.006 56.100 -0.529 0.000 1.008 404 R CB 0.231 30.313 30.300 -0.363 0.000 0.923 404 R HN 0.001 nan 8.270 nan 0.000 0.469 405 V N 1.213 120.737 119.914 -0.650 0.000 2.427 405 V HA -0.195 3.926 4.120 0.001 0.000 0.248 405 V C 2.012 177.899 176.094 -0.345 0.000 1.051 405 V CA 1.635 63.650 62.300 -0.476 0.000 1.048 405 V CB -0.182 31.546 31.823 -0.158 0.000 0.666 405 V HN 0.243 nan 8.190 nan 0.000 0.456 406 L N -1.144 119.902 121.223 -0.295 0.000 2.121 406 L HA 0.010 4.351 4.340 0.001 0.000 0.200 406 L C 2.488 179.260 176.870 -0.163 0.000 1.077 406 L CA 1.309 56.032 54.840 -0.194 0.000 0.766 406 L CB -0.418 41.551 42.059 -0.149 0.000 0.931 406 L HN 0.250 nan 8.230 nan 0.000 0.452 407 E N -0.367 119.719 120.200 -0.189 0.000 2.035 407 E HA -0.102 4.248 4.350 0.001 0.000 0.191 407 E C 0.869 177.395 176.600 -0.124 0.000 0.966 407 E CA -0.035 56.288 56.400 -0.128 0.000 0.823 407 E CB 0.097 29.730 29.700 -0.110 0.000 0.791 407 E HN 0.282 nan 8.360 nan 0.000 0.459 408 Q N 1.149 120.831 119.800 -0.196 0.000 2.286 408 Q HA 0.118 4.459 4.340 0.001 0.000 0.290 408 Q C -0.654 175.352 176.000 0.011 0.000 1.049 408 Q CA -0.475 55.260 55.803 -0.113 0.000 0.923 408 Q CB 0.730 29.382 28.738 -0.143 0.000 1.183 408 Q HN 0.128 nan 8.270 nan 0.000 0.383 409 A N 3.385 126.240 122.820 0.059 0.000 2.249 409 A HA 0.426 4.747 4.320 0.001 0.000 0.281 409 A C -0.621 177.008 177.584 0.075 0.000 1.127 409 A CA -0.609 51.489 52.037 0.101 0.000 0.833 409 A CB 0.747 19.788 19.000 0.068 0.000 1.140 409 A HN 0.595 nan 8.150 nan 0.000 0.502 410 V N 1.241 121.135 119.914 -0.033 0.000 2.364 410 V HA 0.346 4.467 4.120 0.001 0.000 0.272 410 V C 0.503 176.365 176.094 -0.386 0.000 1.036 410 V CA 0.026 62.118 62.300 -0.346 0.000 0.880 410 V CB 0.595 32.042 31.823 -0.627 0.000 0.991 410 V HN 0.917 nan 8.190 nan 0.000 0.460 411 T N 2.716 117.082 114.554 -0.314 0.000 2.875 411 T HA 0.513 4.864 4.350 0.001 0.000 0.307 411 T C -0.526 174.051 174.700 -0.206 0.000 1.013 411 T CA -0.387 61.615 62.100 -0.163 0.000 0.970 411 T CB -0.466 68.360 68.868 -0.069 0.000 0.986 411 T HN 0.360 nan 8.240 nan 0.000 0.536 412 Y N 3.851 124.102 120.300 -0.080 0.000 2.304 412 Y HA 0.488 5.039 4.550 0.001 0.000 0.327 412 Y C -0.981 174.865 175.900 -0.089 0.000 1.209 412 Y CA -1.694 56.306 58.100 -0.168 0.000 1.299 412 Y CB 0.504 38.776 38.460 -0.313 0.000 1.249 412 Y HN 0.556 nan 8.280 nan 0.000 0.519 413 P HA 0.313 nan 4.420 nan 0.000 0.344 413 P C -0.554 176.816 177.300 0.117 0.000 1.282 413 P CA -0.319 62.834 63.100 0.088 0.000 0.769 413 P CB 1.131 32.879 31.700 0.080 0.000 1.561 414 D N -1.361 119.100 120.400 0.100 0.000 2.277 414 D HA -0.041 4.600 4.640 0.001 0.000 0.208 414 D C 1.715 178.087 176.300 0.119 0.000 0.962 414 D CA 0.893 54.948 54.000 0.092 0.000 0.865 414 D CB -0.184 40.651 40.800 0.057 0.000 0.939 414 D HN 0.367 nan 8.370 nan 0.000 0.510 415 K N -0.377 120.114 120.400 0.151 0.000 2.280 415 K HA -0.046 4.274 4.320 0.001 0.000 0.202 415 K C 0.042 176.706 176.600 0.107 0.000 1.047 415 K CA 0.264 56.616 56.287 0.109 0.000 0.942 415 K CB -0.033 32.514 32.500 0.078 0.000 0.739 415 K HN 0.065 nan 8.250 nan 0.000 0.457 416 F N 1.448 121.385 119.950 -0.021 0.000 2.443 416 F HA -0.004 4.523 4.527 0.001 0.000 0.353 416 F C 0.904 176.680 175.800 -0.040 0.000 1.101 416 F CA -0.682 57.297 58.000 -0.034 0.000 1.226 416 F CB 0.872 39.851 39.000 -0.035 0.000 1.140 416 F HN -0.001 nan 8.300 nan 0.000 0.557 417 S N 4.068 119.789 115.700 0.034 0.000 2.617 417 S HA 0.261 4.731 4.470 0.001 0.000 0.269 417 S C -1.718 172.914 174.600 0.053 0.000 1.292 417 S CA -1.196 57.014 58.200 0.018 0.000 1.010 417 S CB 1.293 64.469 63.200 -0.040 0.000 0.944 417 S HN 0.462 nan 8.310 nan 0.000 0.536 418 P HA -0.039 nan 4.420 nan 0.000 0.219 418 P C 1.413 178.735 177.300 0.036 0.000 1.150 418 P CA 1.422 64.534 63.100 0.019 0.000 0.814 418 P CB -0.281 31.421 31.700 0.003 0.000 0.787 419 A N 0.339 123.175 122.820 0.026 0.000 1.933 419 A HA -0.121 4.200 4.320 0.001 0.000 0.218 419 A C 2.441 180.101 177.584 0.127 0.000 1.175 419 A CA 1.993 54.059 52.037 0.048 0.000 0.628 419 A CB -1.386 17.594 19.000 -0.034 0.000 0.814 419 A HN 0.199 nan 8.150 nan 0.000 0.444 420 S N -0.622 115.141 115.700 0.105 0.000 2.387 420 S HA -0.097 4.373 4.470 0.001 0.000 0.226 420 S C 1.978 176.728 174.600 0.250 0.000 1.026 420 S CA 1.340 59.656 58.200 0.194 0.000 0.972 420 S CB -0.170 63.096 63.200 0.111 0.000 0.814 420 S HN 0.670 nan 8.310 nan 0.000 0.477 421 K N 1.075 121.548 120.400 0.123 0.000 2.057 421 K HA -0.137 4.184 4.320 0.001 0.000 0.206 421 K C 1.614 178.153 176.600 -0.101 0.000 1.050 421 K CA 1.540 57.697 56.287 -0.216 0.000 0.935 421 K CB -0.199 32.090 32.500 -0.352 0.000 0.715 421 K HN 0.135 nan 8.250 nan 0.000 0.439 422 D N -0.551 119.885 120.400 0.060 0.000 2.264 422 D HA -0.129 4.511 4.640 0.001 0.000 0.208 422 D C 1.432 177.906 176.300 0.289 0.000 0.966 422 D CA 0.615 54.707 54.000 0.153 0.000 0.864 422 D CB 0.078 40.983 40.800 0.176 0.000 0.933 422 D HN 0.158 nan 8.370 nan 0.000 0.499 423 F N -0.168 119.819 119.950 0.061 0.000 2.262 423 F HA 0.073 4.600 4.527 0.001 0.000 0.292 423 F C 2.093 177.868 175.800 -0.043 0.000 1.081 423 F CA 0.223 58.140 58.000 -0.139 0.000 1.355 423 F CB -0.539 38.313 39.000 -0.247 0.000 1.069 423 F HN 0.023 nan 8.300 nan 0.000 0.506 424 C N 0.431 119.774 119.300 0.072 0.000 2.432 424 C HA -0.121 4.339 4.460 0.001 0.000 0.280 424 C C 2.616 177.637 174.990 0.052 0.000 1.353 424 C CA 0.862 59.907 59.018 0.046 0.000 1.766 424 C CB -1.068 26.826 27.740 0.258 0.000 1.924 424 C HN 0.446 nan 8.230 nan 0.000 0.509 425 E N 0.571 120.815 120.200 0.074 0.000 2.265 425 E HA -0.152 4.199 4.350 0.001 0.000 0.196 425 E C 2.230 178.861 176.600 0.052 0.000 0.996 425 E CA 1.116 57.570 56.400 0.090 0.000 0.832 425 E CB -0.073 29.678 29.700 0.084 0.000 0.756 425 E HN 0.726 nan 8.360 nan 0.000 0.491 426 A N 0.872 123.687 122.820 -0.008 0.000 1.874 426 A HA -0.072 4.249 4.320 0.001 0.000 0.214 426 A C 2.116 179.671 177.584 -0.050 0.000 1.189 426 A CA 0.613 52.631 52.037 -0.033 0.000 0.615 426 A CB -0.432 18.515 19.000 -0.088 0.000 0.830 426 A HN 0.123 nan 8.150 nan 0.000 0.443 427 L N -0.579 120.560 121.223 -0.139 0.000 2.141 427 L HA -0.047 4.294 4.340 0.001 0.000 0.209 427 L C 1.444 178.309 176.870 -0.008 0.000 1.094 427 L CA 0.770 55.560 54.840 -0.083 0.000 0.763 427 L CB -0.319 41.643 42.059 -0.163 0.000 0.908 427 L HN 0.323 nan 8.230 nan 0.000 0.437 428 L N -0.486 120.709 121.223 -0.046 0.000 2.688 428 L HA 0.098 4.439 4.340 0.001 0.000 0.234 428 L C 0.591 177.605 176.870 0.241 0.000 1.192 428 L CA -0.378 54.431 54.840 -0.052 0.000 0.984 428 L CB -0.262 41.715 42.059 -0.137 0.000 1.232 428 L HN 0.218 nan 8.230 nan 0.000 0.465 429 Q N 0.981 120.923 119.800 0.236 0.000 2.454 429 Q HA 0.043 4.383 4.340 0.001 0.000 0.247 429 Q C 0.771 176.914 176.000 0.239 0.000 1.028 429 Q CA 0.141 56.064 55.803 0.201 0.000 0.910 429 Q CB 0.901 29.720 28.738 0.135 0.000 1.276 429 Q HN 0.053 nan 8.270 nan 0.000 0.489 430 K N 0.785 121.267 120.400 0.137 0.000 2.487 430 K HA 0.155 4.476 4.320 0.001 0.000 0.192 430 K C -0.182 176.422 176.600 0.006 0.000 1.027 430 K CA 0.456 56.784 56.287 0.068 0.000 1.054 430 K CB 0.397 32.918 32.500 0.036 0.000 0.824 430 K HN 0.423 nan 8.250 nan 0.000 0.510 431 D N -0.408 120.012 120.400 0.033 0.000 2.552 431 D HA 0.189 4.830 4.640 0.001 0.000 0.239 431 D C -2.111 174.213 176.300 0.040 0.000 1.139 431 D CA -1.418 52.589 54.000 0.013 0.000 0.914 431 D CB 2.843 43.653 40.800 0.017 0.000 1.461 431 D HN -0.234 nan 8.370 nan 0.000 0.462 432 P HA 0.153 nan 4.420 nan 0.000 0.252 432 P C 0.638 177.978 177.300 0.067 0.000 1.218 432 P CA 0.529 63.666 63.100 0.062 0.000 0.807 432 P CB 0.945 32.676 31.700 0.052 0.000 1.072 433 E N 0.507 120.737 120.200 0.050 0.000 2.299 433 E HA -0.019 4.331 4.350 0.001 0.000 0.193 433 E C 1.461 178.089 176.600 0.047 0.000 0.998 433 E CA 0.727 57.154 56.400 0.046 0.000 0.851 433 E CB 0.055 29.774 29.700 0.033 0.000 0.795 433 E HN 0.351 nan 8.360 nan 0.000 0.492 434 K N 0.419 120.851 120.400 0.052 0.000 2.361 434 K HA 0.091 4.412 4.320 0.001 0.000 0.194 434 K C 0.919 177.554 176.600 0.060 0.000 1.032 434 K CA -0.120 56.199 56.287 0.053 0.000 1.048 434 K CB 0.456 32.988 32.500 0.054 0.000 0.842 434 K HN -0.142 nan 8.250 nan 0.000 0.526 435 R N 2.085 122.629 120.500 0.072 0.000 2.265 435 R HA 0.080 4.421 4.340 0.001 0.000 0.314 435 R C -0.471 175.856 176.300 0.044 0.000 1.053 435 R CA -0.444 55.700 56.100 0.074 0.000 0.931 435 R CB 0.475 30.855 30.300 0.134 0.000 1.024 435 R HN -0.054 nan 8.270 nan 0.000 0.457 436 L N 6.227 127.443 121.223 -0.012 0.000 2.583 436 L HA 0.150 4.490 4.340 0.001 0.000 0.280 436 L C 0.261 177.039 176.870 -0.154 0.000 1.261 436 L CA 0.669 55.473 54.840 -0.059 0.000 1.164 436 L CB -0.165 41.855 42.059 -0.064 0.000 1.402 436 L HN 0.799 nan 8.230 nan 0.000 0.443 437 G N 2.492 111.278 108.800 -0.023 0.000 2.714 437 G HA2 0.089 4.050 3.960 0.001 0.000 0.197 437 G HA3 0.089 4.050 3.960 0.001 0.000 0.197 437 G C -0.595 174.387 174.900 0.136 0.000 1.449 437 G CA -0.671 44.486 45.100 0.095 0.000 1.065 437 G HN 0.339 nan 8.290 nan 0.000 0.575 438 F N 2.127 122.201 119.950 0.206 0.000 2.439 438 F HA 0.494 5.022 4.527 0.001 0.000 0.356 438 F C 0.191 176.060 175.800 0.114 0.000 1.161 438 F CA -0.673 57.440 58.000 0.187 0.000 1.151 438 F CB 0.198 39.359 39.000 0.269 0.000 1.222 438 F HN -0.056 nan 8.300 nan 0.000 0.558 439 R N 4.368 124.743 120.500 -0.208 0.000 2.628 439 R HA 0.300 4.641 4.340 0.001 0.000 0.288 439 R C -0.101 176.032 176.300 -0.278 0.000 0.980 439 R CA -0.652 55.346 56.100 -0.171 0.000 0.891 439 R CB 1.280 31.533 30.300 -0.077 0.000 1.188 439 R HN 0.712 nan 8.270 nan 0.000 0.450 440 D N 0.818 121.094 120.400 -0.206 0.000 2.911 440 D HA -0.185 4.455 4.640 0.001 0.000 0.199 440 D C 0.888 177.046 176.300 -0.237 0.000 1.041 440 D CA 2.021 55.913 54.000 -0.179 0.000 1.013 440 D CB -0.971 39.742 40.800 -0.145 0.000 1.093 440 D HN 0.913 nan 8.370 nan 0.000 0.431 441 G N -0.645 107.887 108.800 -0.446 0.000 2.259 441 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 441 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 441 G C 0.229 174.806 174.900 -0.537 0.000 1.001 441 G CA 0.894 45.739 45.100 -0.426 0.000 0.627 441 G HN 1.507 nan 8.290 nan 0.000 0.501 442 S N -1.857 113.541 115.700 -0.503 0.000 2.638 442 S HA 0.507 4.977 4.470 0.001 0.000 0.274 442 S C 0.281 174.711 174.600 -0.283 0.000 1.157 442 S CA 0.051 58.074 58.200 -0.296 0.000 0.826 442 S CB 1.333 64.457 63.200 -0.126 0.000 1.139 442 S HN 0.872 nan 8.310 nan 0.000 0.474 443 C N 2.097 121.303 119.300 -0.156 0.000 2.463 443 C HA 0.298 4.759 4.460 0.001 0.000 0.430 443 C C 1.463 176.300 174.990 -0.255 0.000 1.288 443 C CA -0.335 58.570 59.018 -0.188 0.000 1.619 443 C CB -2.526 25.112 27.740 -0.171 0.000 1.864 443 C HN 0.815 nan 8.230 nan 0.000 0.595 444 D N 1.449 121.720 120.400 -0.215 0.000 2.264 444 D HA -0.058 4.583 4.640 0.001 0.000 0.208 444 D C 2.191 178.395 176.300 -0.159 0.000 0.966 444 D CA 1.338 55.220 54.000 -0.195 0.000 0.864 444 D CB 0.090 40.805 40.800 -0.141 0.000 0.933 444 D HN 0.629 nan 8.370 nan 0.000 0.499 445 G N 0.630 109.351 108.800 -0.131 0.000 2.494 445 G HA2 -0.103 3.858 3.960 0.001 0.000 0.216 445 G HA3 -0.103 3.858 3.960 0.001 0.000 0.216 445 G C 1.646 176.523 174.900 -0.039 0.000 1.140 445 G CA -0.081 44.976 45.100 -0.072 0.000 0.801 445 G HN 0.250 nan 8.290 nan 0.000 0.536 446 L N -0.013 121.157 121.223 -0.089 0.000 2.044 446 L HA 0.131 4.472 4.340 0.001 0.000 0.205 446 L C 2.978 179.781 176.870 -0.111 0.000 1.075 446 L CA 0.829 55.654 54.840 -0.026 0.000 0.747 446 L CB -0.155 41.844 42.059 -0.100 0.000 0.903 446 L HN 0.078 nan 8.230 nan 0.000 0.435 447 R N -0.901 119.359 120.500 -0.400 0.000 2.200 447 R HA -0.147 4.194 4.340 0.001 0.000 0.234 447 R C 1.975 178.153 176.300 -0.203 0.000 1.127 447 R CA 1.704 57.365 56.100 -0.732 0.000 0.989 447 R CB -0.468 29.128 30.300 -1.174 0.000 0.869 447 R HN 0.415 nan 8.270 nan 0.000 0.459 448 T N -0.406 114.105 114.554 -0.071 0.000 2.904 448 T HA -0.130 4.221 4.350 0.001 0.000 0.267 448 T C 0.742 175.492 174.700 0.084 0.000 1.059 448 T CA 0.493 62.610 62.100 0.029 0.000 1.137 448 T CB -0.266 68.605 68.868 0.004 0.000 0.879 448 T HN 0.298 nan 8.240 nan 0.000 0.467 449 H N 2.274 121.351 119.070 0.011 0.000 3.094 449 H HA -0.016 4.540 4.556 0.001 0.000 0.320 449 H C -1.650 173.639 175.328 -0.064 0.000 1.000 449 H CA -1.234 54.779 56.048 -0.059 0.000 1.413 449 H CB 1.027 30.640 29.762 -0.247 0.000 1.405 449 H HN -0.022 nan 8.280 nan 0.000 0.586 450 P HA -0.258 nan 4.420 nan 0.000 0.222 450 P C 1.685 178.903 177.300 -0.136 0.000 1.154 450 P CA 0.986 63.929 63.100 -0.262 0.000 0.874 450 P CB 0.097 31.567 31.700 -0.383 0.000 0.787 451 L N -2.405 118.732 121.223 -0.144 0.000 2.450 451 L HA -0.010 4.330 4.340 0.001 0.000 0.224 451 L C 0.586 177.096 176.870 -0.600 0.000 1.149 451 L CA 1.306 55.906 54.840 -0.399 0.000 0.816 451 L CB -1.047 40.644 42.059 -0.612 0.000 0.932 451 L HN -0.171 nan 8.230 nan 0.000 0.449 452 F N -0.708 119.244 119.950 0.003 0.000 2.371 452 F HA 0.367 4.895 4.527 0.001 0.000 0.343 452 F C 1.283 177.083 175.800 0.001 0.000 1.150 452 F CA -0.508 57.505 58.000 0.021 0.000 1.220 452 F CB 0.231 39.370 39.000 0.231 0.000 1.475 452 F HN -0.129 nan 8.300 nan 0.000 0.521 453 R N -0.443 120.084 120.500 0.045 0.000 2.087 453 R HA 0.064 4.405 4.340 0.001 0.000 0.213 453 R C 1.185 177.480 176.300 -0.009 0.000 1.137 453 R CA 0.416 56.528 56.100 0.019 0.000 1.022 453 R CB -0.188 30.101 30.300 -0.018 0.000 0.920 453 R HN 0.157 nan 8.270 nan 0.000 0.451 454 D N 1.591 121.969 120.400 -0.036 0.000 2.116 454 D HA -0.118 4.522 4.640 0.001 0.000 0.193 454 D C 0.623 176.879 176.300 -0.073 0.000 0.998 454 D CA 1.072 55.042 54.000 -0.050 0.000 0.836 454 D CB -0.099 40.668 40.800 -0.055 0.000 0.951 454 D HN 0.074 nan 8.370 nan 0.000 0.449 455 I N 1.519 122.028 120.570 -0.101 0.000 2.347 455 I HA 0.043 4.214 4.170 0.001 0.000 0.294 455 I C 0.711 176.613 176.117 -0.359 0.000 1.090 455 I CA -0.348 60.807 61.300 -0.241 0.000 1.314 455 I CB -0.003 37.803 38.000 -0.324 0.000 1.423 455 I HN -0.218 nan 8.210 nan 0.000 0.503 456 S N 5.971 121.517 115.700 -0.257 0.000 2.545 456 S HA 0.226 4.696 4.470 0.001 0.000 0.275 456 S C -0.341 174.108 174.600 -0.252 0.000 1.299 456 S CA -0.469 57.622 58.200 -0.181 0.000 1.048 456 S CB 0.218 63.367 63.200 -0.085 0.000 0.938 456 S HN 0.464 nan 8.310 nan 0.000 0.496 457 W N 6.029 127.306 121.300 -0.038 0.000 1.438 457 W HA 0.347 5.008 4.660 0.001 0.000 0.455 457 W C 1.347 177.843 176.519 -0.037 0.000 0.656 457 W CA -0.494 56.816 57.345 -0.058 0.000 2.049 457 W CB 0.107 29.518 29.460 -0.083 0.000 1.683 457 W HN 0.606 nan 8.180 nan 0.000 0.228 458 R N -0.793 119.761 120.500 0.089 0.000 3.969 458 R HA 0.027 4.367 4.340 0.001 0.000 0.120 458 R C 1.825 178.148 176.300 0.038 0.000 0.681 458 R CA 0.051 56.194 56.100 0.070 0.000 1.259 458 R CB -0.148 30.161 30.300 0.015 0.000 1.619 458 R HN 0.256 nan 8.270 nan 0.000 0.452 459 Q N 1.297 121.088 119.800 -0.014 0.000 2.135 459 Q HA -0.105 4.236 4.340 0.001 0.000 0.204 459 Q C 1.955 177.965 176.000 0.017 0.000 0.981 459 Q CA 1.381 57.179 55.803 -0.009 0.000 0.856 459 Q CB -0.084 28.637 28.738 -0.028 0.000 0.902 459 Q HN -0.001 nan 8.270 nan 0.000 0.425 460 L N 1.225 122.445 121.223 -0.004 0.000 2.141 460 L HA -0.152 4.189 4.340 0.001 0.000 0.209 460 L C 1.650 178.622 176.870 0.171 0.000 1.094 460 L CA 1.720 56.578 54.840 0.029 0.000 0.763 460 L CB -0.133 41.862 42.059 -0.107 0.000 0.908 460 L HN 0.131 nan 8.230 nan 0.000 0.437 461 E N -0.979 119.338 120.200 0.195 0.000 2.347 461 E HA -0.092 4.259 4.350 0.001 0.000 0.196 461 E C 1.970 178.614 176.600 0.074 0.000 1.008 461 E CA 0.715 57.249 56.400 0.225 0.000 0.852 461 E CB -0.059 29.776 29.700 0.225 0.000 0.783 461 E HN 0.647 nan 8.360 nan 0.000 0.505 462 A N 0.746 123.597 122.820 0.052 0.000 1.881 462 A HA 0.362 4.683 4.320 0.001 0.000 0.210 462 A C 1.495 179.080 177.584 0.002 0.000 1.239 462 A CA 0.954 53.004 52.037 0.020 0.000 0.629 462 A CB 0.015 19.026 19.000 0.019 0.000 0.906 462 A HN 0.257 nan 8.150 nan 0.000 0.460 463 G N -1.840 106.972 108.800 0.020 0.000 2.978 463 G HA2 0.007 3.968 3.960 0.001 0.000 0.193 463 G HA3 0.007 3.968 3.960 0.001 0.000 0.193 463 G C -0.048 174.872 174.900 0.033 0.000 1.038 463 G CA 0.159 45.275 45.100 0.028 0.000 1.103 463 G HN 0.213 nan 8.290 nan 0.000 0.574 464 M N -0.009 119.617 119.600 0.044 0.000 2.241 464 M HA 0.301 4.782 4.480 0.001 0.000 0.374 464 M C 0.749 177.073 176.300 0.041 0.000 0.922 464 M CA 0.074 55.393 55.300 0.031 0.000 1.031 464 M CB 0.657 33.263 32.600 0.011 0.000 1.864 464 M HN 0.414 nan 8.290 nan 0.000 0.636 465 L N 2.081 123.356 121.223 0.087 0.000 2.319 465 L HA 0.228 4.569 4.340 0.001 0.000 0.280 465 L C -0.123 176.784 176.870 0.062 0.000 1.099 465 L CA 0.161 55.063 54.840 0.104 0.000 0.828 465 L CB 1.188 43.382 42.059 0.225 0.000 1.150 465 L HN 0.080 nan 8.230 nan 0.000 0.442 466 T N 6.524 121.059 114.554 -0.031 0.000 2.751 466 T HA 0.146 4.496 4.350 0.001 0.000 0.279 466 T C -2.233 172.294 174.700 -0.288 0.000 0.941 466 T CA -0.651 61.381 62.100 -0.114 0.000 1.192 466 T CB -0.106 68.699 68.868 -0.104 0.000 0.883 466 T HN 0.432 nan 8.240 nan 0.000 0.534 467 P HA 0.167 nan 4.420 nan 0.000 0.271 467 P C -1.665 175.274 177.300 -0.602 0.000 1.218 467 P CA -1.560 61.002 63.100 -0.896 0.000 0.780 467 P CB 0.135 31.527 31.700 -0.514 0.000 0.901 468 P HA 0.051 nan 4.420 nan 0.000 0.244 468 P C -0.523 176.722 177.300 -0.092 0.000 1.211 468 P CA 0.835 63.724 63.100 -0.352 0.000 0.760 468 P CB -0.168 31.300 31.700 -0.387 0.000 0.961 469 F N -0.242 119.555 119.950 -0.255 0.000 3.055 469 F HA 0.210 4.738 4.527 0.001 0.000 0.358 469 F C -1.131 174.602 175.800 -0.111 0.000 1.262 469 F CA -0.968 56.942 58.000 -0.150 0.000 1.172 469 F CB 0.969 39.889 39.000 -0.132 0.000 1.503 469 F HN -0.452 nan 8.300 nan 0.000 0.621 470 V N 7.315 126.915 119.914 -0.524 0.000 2.583 470 V HA 0.428 4.549 4.120 0.001 0.000 0.287 470 V C -1.799 173.951 176.094 -0.574 0.000 1.051 470 V CA -1.004 61.058 62.300 -0.396 0.000 1.010 470 V CB 0.809 32.466 31.823 -0.276 0.000 0.988 470 V HN 0.616 nan 8.190 nan 0.000 0.478 471 P HA 0.415 nan 4.420 nan 0.000 0.284 471 P C -1.258 175.993 177.300 -0.083 0.000 1.292 471 P CA -0.804 62.223 63.100 -0.121 0.000 0.800 471 P CB 0.690 32.424 31.700 0.057 0.000 1.188 472 D N -0.286 120.120 120.400 0.010 0.000 2.249 472 D HA 0.354 4.995 4.640 0.001 0.000 0.246 472 D C -0.353 175.969 176.300 0.035 0.000 1.114 472 D CA 0.129 54.141 54.000 0.020 0.000 0.854 472 D CB 0.540 41.373 40.800 0.056 0.000 1.132 472 D HN 0.123 nan 8.370 nan 0.000 0.461 473 S N 2.241 117.953 115.700 0.020 0.000 2.503 473 S HA 0.793 5.264 4.470 0.001 0.000 0.301 473 S C 0.127 174.745 174.600 0.030 0.000 1.087 473 S CA -0.731 57.484 58.200 0.026 0.000 1.042 473 S CB 2.371 65.580 63.200 0.014 0.000 1.043 473 S HN 0.369 nan 8.310 nan 0.000 0.489 495 F N 1.354 121.347 119.950 0.070 0.000 2.399 495 F HA 0.553 5.080 4.527 0.001 0.000 0.328 495 F C 1.136 176.970 175.800 0.057 0.000 1.084 495 F CA 0.054 58.104 58.000 0.084 0.000 1.053 495 F CB 1.312 40.389 39.000 0.128 0.000 1.209 495 F HN 0.596 nan 8.300 nan 0.000 0.502 496 E N 0.830 121.187 120.200 0.263 0.000 2.504 496 E HA 0.148 4.499 4.350 0.001 0.000 0.253 496 E C 0.797 177.483 176.600 0.143 0.000 1.151 496 E CA -0.511 55.979 56.400 0.150 0.000 0.972 496 E CB 0.976 30.727 29.700 0.085 0.000 1.247 496 E HN 0.518 nan 8.360 nan 0.000 0.519 497 K N 0.398 120.847 120.400 0.081 0.000 2.103 497 K HA -0.037 4.283 4.320 0.001 0.000 0.204 497 K C 1.697 178.317 176.600 0.033 0.000 1.052 497 K CA 1.167 57.486 56.287 0.054 0.000 0.945 497 K CB -0.131 32.393 32.500 0.039 0.000 0.722 497 K HN 0.424 nan 8.250 nan 0.000 0.443 498 A N 1.372 124.212 122.820 0.033 0.000 2.131 498 A HA -0.177 4.144 4.320 0.001 0.000 0.220 498 A C 1.214 178.797 177.584 -0.001 0.000 1.158 498 A CA 1.865 53.912 52.037 0.018 0.000 0.665 498 A CB -0.256 18.745 19.000 0.001 0.000 0.795 498 A HN 0.433 nan 8.150 nan 0.000 0.460 499 D N -1.561 118.816 120.400 -0.038 0.000 2.369 499 D HA -0.023 4.618 4.640 0.001 0.000 0.231 499 D C 1.658 177.487 176.300 -0.785 0.000 0.967 499 D CA 1.485 55.307 54.000 -0.297 0.000 0.905 499 D CB -0.607 40.230 40.800 0.061 0.000 1.044 499 D HN 0.319 nan 8.370 nan 0.000 0.487 500 T N 1.121 115.483 114.554 -0.320 0.000 2.995 500 T HA -0.090 4.261 4.350 0.001 0.000 0.269 500 T C 1.660 176.318 174.700 -0.070 0.000 1.091 500 T CA 0.675 62.697 62.100 -0.129 0.000 1.128 500 T CB 0.225 69.089 68.868 -0.006 0.000 0.891 500 T HN 0.173 nan 8.240 nan 0.000 0.492 501 E N 0.056 120.222 120.200 -0.057 0.000 2.152 501 E HA -0.082 4.269 4.350 0.001 0.000 0.192 501 E C 1.723 178.332 176.600 0.015 0.000 0.983 501 E CA 0.644 57.043 56.400 -0.001 0.000 0.818 501 E CB -0.087 29.628 29.700 0.025 0.000 0.758 501 E HN 0.524 nan 8.360 nan 0.000 0.467 502 F N 0.057 119.880 119.950 -0.212 0.000 2.234 502 F HA -0.004 4.523 4.527 0.001 0.000 0.296 502 F C 1.601 177.343 175.800 -0.097 0.000 1.089 502 F CA 0.990 58.877 58.000 -0.187 0.000 1.343 502 F CB -0.364 38.474 39.000 -0.271 0.000 1.040 502 F HN -0.045 nan 8.300 nan 0.000 0.498 503 F N 0.523 120.391 119.950 -0.135 0.000 2.216 503 F HA -0.210 4.318 4.527 0.001 0.000 0.300 503 F C 2.353 178.086 175.800 -0.111 0.000 1.085 503 F CA 1.064 58.926 58.000 -0.230 0.000 1.326 503 F CB -0.519 38.383 39.000 -0.163 0.000 1.027 503 F HN 0.048 nan 8.300 nan 0.000 0.497 504 Q N -0.136 119.709 119.800 0.076 0.000 2.269 504 Q HA -0.100 4.241 4.340 0.001 0.000 0.201 504 Q C 1.920 177.907 176.000 -0.021 0.000 0.946 504 Q CA 0.563 56.390 55.803 0.041 0.000 0.877 504 Q CB -0.034 28.726 28.738 0.036 0.000 0.963 504 Q HN 0.489 nan 8.270 nan 0.000 0.472 505 E N 0.475 120.635 120.200 -0.067 0.000 2.028 505 E HA -0.180 4.170 4.350 0.001 0.000 0.191 505 E C 1.697 178.204 176.600 -0.154 0.000 0.988 505 E CA 0.868 57.213 56.400 -0.092 0.000 0.799 505 E CB -0.139 29.527 29.700 -0.057 0.000 0.755 505 E HN 0.234 nan 8.360 nan 0.000 0.447 506 F N 1.954 121.611 119.950 -0.489 0.000 2.063 506 F HA -0.222 4.306 4.527 0.001 0.000 0.298 506 F C 1.092 176.735 175.800 -0.261 0.000 1.105 506 F CA 1.422 59.128 58.000 -0.490 0.000 1.215 506 F CB -0.263 38.303 39.000 -0.724 0.000 0.972 506 F HN -0.139 nan 8.300 nan 0.000 0.483 507 A N 0.423 123.181 122.820 -0.103 0.000 2.666 507 A HA 0.321 4.642 4.320 0.001 0.000 0.301 507 A C 1.020 178.519 177.584 -0.142 0.000 1.470 507 A CA 0.345 52.301 52.037 -0.134 0.000 1.159 507 A CB -1.038 18.006 19.000 0.074 0.000 1.116 507 A HN 0.494 nan 8.150 nan 0.000 0.548 508 S N 1.935 117.503 115.700 -0.219 0.000 2.743 508 S HA 0.399 4.869 4.470 0.001 0.000 0.230 508 S C 1.430 175.946 174.600 -0.141 0.000 0.950 508 S CA 0.536 58.636 58.200 -0.167 0.000 0.976 508 S CB -0.700 62.388 63.200 -0.187 0.000 0.779 508 S HN 2.129 nan 8.310 nan 0.000 0.487 509 G N 1.885 110.630 108.800 -0.092 0.000 4.862 509 G HA2 -0.390 3.571 3.960 0.001 0.000 0.344 509 G HA3 -0.390 3.571 3.960 0.001 0.000 0.344 509 G C 0.372 175.264 174.900 -0.012 0.000 1.365 509 G CA 0.914 45.985 45.100 -0.048 0.000 1.066 509 G HN 1.485 nan 8.290 nan 0.000 0.808 510 T N -1.503 112.978 114.554 -0.121 0.000 2.925 510 T HA 0.587 4.938 4.350 0.001 0.000 0.285 510 T C -0.282 174.264 174.700 -0.256 0.000 1.021 510 T CA -0.090 61.896 62.100 -0.189 0.000 1.042 510 T CB 2.115 70.757 68.868 -0.376 0.000 1.037 510 T HN 1.071 nan 8.240 nan 0.000 0.481 511 C N 4.216 123.326 119.300 -0.317 0.000 2.319 511 C HA 0.473 4.934 4.460 0.001 0.000 0.323 511 C C -1.262 173.582 174.990 -0.244 0.000 1.277 511 C CA -1.212 57.649 59.018 -0.262 0.000 1.517 511 C CB 0.822 28.417 27.740 -0.242 0.000 2.206 511 C HN 0.717 nan 8.230 nan 0.000 0.486 512 P HA -0.043 nan 4.420 nan 0.000 0.215 512 P C 1.315 178.625 177.300 0.016 0.000 1.157 512 P CA 1.347 64.345 63.100 -0.171 0.000 0.863 512 P CB 0.263 31.879 31.700 -0.141 0.000 0.787 513 I N -0.722 119.833 120.570 -0.025 0.000 2.277 513 I HA -0.043 4.127 4.170 0.001 0.000 0.243 513 I C -0.659 175.422 176.117 -0.060 0.000 1.094 513 I CA 0.985 62.267 61.300 -0.031 0.000 1.393 513 I CB -1.819 36.107 38.000 -0.124 0.000 1.078 513 I HN -0.048 nan 8.210 nan 0.000 0.417 514 P HA -0.214 nan 4.420 nan 0.000 0.218 514 P C 1.309 178.645 177.300 0.060 0.000 1.148 514 P CA 1.343 64.421 63.100 -0.037 0.000 0.822 514 P CB -0.145 31.553 31.700 -0.003 0.000 0.784 515 W N 0.926 122.121 121.300 -0.174 0.000 2.333 515 W HA -0.225 4.436 4.660 0.001 0.000 0.316 515 W C 2.304 178.809 176.519 -0.022 0.000 1.215 515 W CA 1.635 58.914 57.345 -0.110 0.000 1.278 515 W CB -0.822 28.519 29.460 -0.198 0.000 1.154 515 W HN -0.060 nan 8.180 nan 0.000 0.486 516 Q N 0.008 119.997 119.800 0.315 0.000 2.061 516 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 516 Q C 2.172 178.087 176.000 -0.142 0.000 0.984 516 Q CA 2.158 57.997 55.803 0.060 0.000 0.846 516 Q CB -0.556 28.285 28.738 0.172 0.000 0.902 516 Q HN 0.484 nan 8.270 nan 0.000 0.421 517 E N 0.545 120.698 120.200 -0.078 0.000 2.085 517 E HA -0.250 4.100 4.350 0.001 0.000 0.194 517 E C 1.946 178.507 176.600 -0.066 0.000 0.994 517 E CA 1.033 57.387 56.400 -0.077 0.000 0.801 517 E CB -0.038 29.634 29.700 -0.047 0.000 0.743 517 E HN 0.354 nan 8.360 nan 0.000 0.453 518 E N 0.072 120.241 120.200 -0.051 0.000 2.085 518 E HA -0.233 4.118 4.350 0.001 0.000 0.194 518 E C 1.876 178.417 176.600 -0.098 0.000 0.994 518 E CA 1.316 57.700 56.400 -0.026 0.000 0.801 518 E CB 0.132 29.865 29.700 0.055 0.000 0.743 518 E HN 0.120 nan 8.360 nan 0.000 0.453 519 M N 0.030 119.489 119.600 -0.235 0.000 2.200 519 M HA -0.036 4.444 4.480 0.001 0.000 0.265 519 M C 2.232 178.506 176.300 -0.043 0.000 1.066 519 M CA 1.142 56.325 55.300 -0.195 0.000 1.127 519 M CB -0.719 31.637 32.600 -0.406 0.000 1.379 519 M HN 0.191 nan 8.290 nan 0.000 0.420 520 I N -0.275 120.240 120.570 -0.093 0.000 2.333 520 I HA -0.185 3.985 4.170 0.001 0.000 0.246 520 I C 2.258 178.396 176.117 0.034 0.000 1.106 520 I CA 0.961 62.247 61.300 -0.023 0.000 1.411 520 I CB -0.342 37.550 38.000 -0.180 0.000 1.082 520 I HN 0.319 nan 8.210 nan 0.000 0.420 521 E N 0.405 120.605 120.200 -0.002 0.000 2.072 521 E HA -0.170 4.181 4.350 0.001 0.000 0.190 521 E C 2.132 178.747 176.600 0.024 0.000 0.982 521 E CA 1.847 58.254 56.400 0.012 0.000 0.803 521 E CB -0.118 29.583 29.700 0.002 0.000 0.755 521 E HN 0.555 nan 8.360 nan 0.000 0.453 522 T N -2.764 111.803 114.554 0.022 0.000 3.085 522 T HA 0.110 4.460 4.350 0.001 0.000 0.263 522 T C 1.613 176.340 174.700 0.045 0.000 1.127 522 T CA 0.699 62.815 62.100 0.028 0.000 1.103 522 T CB 0.283 69.166 68.868 0.024 0.000 0.921 522 T HN 0.319 nan 8.240 nan 0.000 0.510 523 G N 0.189 109.030 108.800 0.068 0.000 2.199 523 G HA2 -0.327 3.634 3.960 0.001 0.000 0.254 523 G HA3 -0.327 3.634 3.960 0.001 0.000 0.254 523 G C 0.967 175.922 174.900 0.092 0.000 0.982 523 G CA 0.243 45.392 45.100 0.083 0.000 0.632 523 G HN 0.512 nan 8.290 nan 0.000 0.529 524 V N 0.710 120.683 119.914 0.098 0.000 2.324 524 V HA -0.163 3.958 4.120 0.001 0.000 0.250 524 V C 2.281 178.522 176.094 0.245 0.000 1.060 524 V CA 2.850 65.235 62.300 0.140 0.000 1.042 524 V CB -0.726 31.161 31.823 0.107 0.000 0.650 524 V HN 0.625 nan 8.190 nan 0.000 0.450 525 F N 2.076 122.031 119.950 0.008 0.000 2.075 525 F HA -0.045 4.483 4.527 0.001 0.000 0.297 525 F C 2.215 178.092 175.800 0.129 0.000 1.113 525 F CA 1.895 59.817 58.000 -0.131 0.000 1.218 525 F CB -1.138 37.624 39.000 -0.397 0.000 0.984 525 F HN 0.121 nan 8.300 nan 0.000 0.472 526 G N -0.598 108.048 108.800 -0.256 0.000 2.442 526 G HA2 -0.288 3.673 3.960 0.001 0.000 0.219 526 G HA3 -0.288 3.673 3.960 0.001 0.000 0.219 526 G C 0.946 175.747 174.900 -0.166 0.000 1.141 526 G CA 1.263 46.166 45.100 -0.329 0.000 0.763 526 G HN 0.458 nan 8.290 nan 0.000 0.554 527 D N -0.996 119.386 120.400 -0.029 0.000 2.360 527 D HA 0.230 4.870 4.640 0.001 0.000 0.210 527 D C 1.815 178.145 176.300 0.049 0.000 1.047 527 D CA -0.009 54.002 54.000 0.019 0.000 0.854 527 D CB 0.441 41.263 40.800 0.037 0.000 0.936 527 D HN 0.238 nan 8.370 nan 0.000 0.514 528 L N -0.115 121.172 121.223 0.107 0.000 2.858 528 L HA 0.230 4.570 4.340 0.001 0.000 0.251 528 L C 0.742 177.698 176.870 0.144 0.000 1.149 528 L CA 0.052 54.953 54.840 0.101 0.000 0.955 528 L CB 0.497 42.601 42.059 0.075 0.000 1.289 528 L HN -0.137 nan 8.230 nan 0.000 0.542 529 N N 0.081 118.889 118.700 0.179 0.000 2.389 529 N HA 0.070 4.810 4.740 0.001 0.000 0.237 529 N C -0.321 175.274 175.510 0.142 0.000 1.148 529 N CA 0.018 53.190 53.050 0.204 0.000 0.854 529 N CB 0.124 38.537 38.487 -0.123 0.000 1.115 529 N HN -0.102 nan 8.380 nan 0.000 0.492 530 V N 0.401 120.388 119.914 0.122 0.000 2.775 530 V HA 0.079 4.200 4.120 0.001 0.000 0.299 530 V C 0.766 177.005 176.094 0.242 0.000 1.062 530 V CA -0.276 62.105 62.300 0.134 0.000 1.063 530 V CB 1.718 33.578 31.823 0.061 0.000 0.994 530 V HN 0.467 nan 8.190 nan 0.000 0.483 531 W N 4.314 125.624 121.300 0.016 0.000 3.063 531 W HA 0.258 4.918 4.660 0.001 0.000 0.246 531 W C 0.747 177.272 176.519 0.009 0.000 1.145 531 W CA 0.159 57.513 57.345 0.015 0.000 1.510 531 W CB 0.775 30.254 29.460 0.031 0.000 0.904 531 W HN 0.743 nan 8.180 nan 0.000 0.679 532 R N 0.000 120.603 120.500 0.172 0.000 2.786 532 R HA 0.000 4.341 4.340 0.001 0.000 0.208 532 R CA 0.000 56.143 56.100 0.072 0.000 0.921 532 R CB 0.000 30.353 30.300 0.088 0.000 0.687 532 R HN 0.000 nan 8.270 nan 0.000 0.535