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 3hg4_1_A DATA FIRST_RESID 32 DATA SEQUENCE LDNGLARTPT MGWLHWERFM cNLDcQEEPD ScISEKLFME MAELMVSEGW DATA SEQUENCE KDAGYEYLCI DDcWMAPQRD SEGRLQADPQ RFPHGIRQLA NYVHSKGLKL DATA SEQUENCE GIYADVGNKT cAGFPGSFGY YDIDAQTFAD WGVDLLKFDG cYCDSLENLA DATA SEQUENCE DGYKHMSLAL NRTGRSIVYS cEWPLYMWPF QKPNYTEIRQ YcNHWRNFAD DATA SEQUENCE IDDSWKSIKS ILDWTSFNQE RIVDVAGPGG WNDPDMLVIG NFGLSWNQQV DATA SEQUENCE TQMALWAIMA APLFMSNDLR HISPQAKALL QDKDVIAINQ DPLGKQGYQL DATA SEQUENCE RQGDNFEVWE RPLSGLAWAV AMINRQEIGG PRSYTIAVAS LGKGVAcNPA DATA SEQUENCE cFITQLLPVK RKLGFYEWTS RLRSHINPTG TVLLQLENTM 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.897 176.870 0.046 0.000 1.165 32 L CA 0.000 54.889 54.840 0.081 0.000 0.813 32 L CB 0.000 42.162 42.059 0.172 0.000 0.961 33 D N 2.621 123.027 120.400 0.010 0.000 2.801 33 D HA 0.171 4.811 4.640 -0.000 0.000 0.232 33 D C 0.551 176.865 176.300 0.024 0.000 1.128 33 D CA 0.212 54.216 54.000 0.006 0.000 1.003 33 D CB 0.116 40.904 40.800 -0.019 0.000 1.110 33 D HN 0.604 nan 8.370 nan 0.000 0.477 34 N N 0.078 118.808 118.700 0.050 0.000 2.203 34 N HA 0.109 4.848 4.740 -0.000 0.000 0.207 34 N C 1.374 176.923 175.510 0.066 0.000 1.130 34 N CA 0.278 53.363 53.050 0.057 0.000 0.861 34 N CB 0.282 38.814 38.487 0.075 0.000 1.005 34 N HN 0.169 nan 8.380 nan 0.000 0.507 35 G N 0.087 108.925 108.800 0.064 0.000 2.162 35 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 35 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 35 G C -0.362 174.599 174.900 0.101 0.000 0.976 35 G CA 0.670 45.813 45.100 0.071 0.000 0.655 35 G HN 0.356 nan 8.290 nan 0.000 0.533 36 L N -1.302 119.995 121.223 0.124 0.000 2.304 36 L HA 0.717 5.057 4.340 -0.000 0.000 0.268 36 L C 1.595 178.587 176.870 0.203 0.000 1.010 36 L CA -0.667 54.273 54.840 0.166 0.000 0.813 36 L CB 1.609 43.775 42.059 0.179 0.000 1.315 36 L HN 1.124 nan 8.230 nan 0.000 0.445 37 A N 0.625 123.595 122.820 0.250 0.000 2.704 37 A HA -0.201 4.119 4.320 -0.000 0.000 0.299 37 A C 1.544 179.411 177.584 0.472 0.000 1.507 37 A CA 0.644 52.903 52.037 0.369 0.000 0.776 37 A CB -1.212 18.069 19.000 0.469 0.000 1.027 37 A HN 0.752 nan 8.150 nan 0.000 0.475 38 R N 0.014 120.699 120.500 0.309 0.000 2.152 38 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 38 R C 1.238 177.798 176.300 0.434 0.000 1.117 38 R CA 1.633 57.907 56.100 0.291 0.000 0.981 38 R CB -1.104 29.297 30.300 0.169 0.000 0.870 38 R HN 1.167 nan 8.270 nan 0.000 0.451 39 T N -2.090 112.652 114.554 0.314 0.000 2.924 39 T HA 0.541 4.890 4.350 -0.000 0.000 0.291 39 T C -2.944 171.608 174.700 -0.246 0.000 1.045 39 T CA -2.705 59.441 62.100 0.075 0.000 1.015 39 T CB 2.870 71.702 68.868 -0.060 0.000 1.103 39 T HN -0.258 nan 8.240 nan 0.000 0.496 40 P HA 0.146 nan 4.420 nan 0.000 0.262 40 P C 0.027 176.999 177.300 -0.548 0.000 1.182 40 P CA 0.100 62.509 63.100 -1.152 0.000 0.761 40 P CB -0.081 30.907 31.700 -1.188 0.000 0.795 41 T N 4.809 119.105 114.554 -0.431 0.000 2.946 41 T HA 0.160 4.510 4.350 -0.000 0.000 0.311 41 T C 0.462 174.789 174.700 -0.622 0.000 1.063 41 T CA 0.525 62.394 62.100 -0.384 0.000 1.139 41 T CB -0.201 68.497 68.868 -0.282 0.000 0.994 41 T HN 0.291 nan 8.240 nan 0.000 0.547 42 M N 2.283 121.648 119.600 -0.391 0.000 2.326 42 M HA 0.620 5.100 4.480 -0.000 0.000 0.306 42 M C 0.505 176.791 176.300 -0.024 0.000 1.054 42 M CA -0.458 54.613 55.300 -0.380 0.000 0.922 42 M CB 2.428 34.763 32.600 -0.443 0.000 1.632 42 M HN 0.896 nan 8.290 nan 0.000 0.436 43 G N 1.506 110.401 108.800 0.158 0.000 2.450 43 G HA2 0.408 4.367 3.960 -0.000 0.000 0.273 43 G HA3 0.408 4.367 3.960 -0.000 0.000 0.273 43 G C -2.898 172.392 174.900 0.650 0.000 1.221 43 G CA -0.619 44.819 45.100 0.563 0.000 0.900 43 G HN 0.711 nan 8.290 nan 0.000 0.483 44 W N -0.106 121.469 121.300 0.458 0.000 2.998 44 W HA 0.761 5.421 4.660 -0.000 0.000 0.335 44 W C -1.820 174.920 176.519 0.370 0.000 1.110 44 W CA -0.915 56.605 57.345 0.293 0.000 1.230 44 W CB 2.085 31.598 29.460 0.089 0.000 1.405 44 W HN 0.548 nan 8.180 nan 0.000 0.493 45 L N 6.205 127.288 121.223 -0.233 0.000 2.431 45 L HA 0.310 4.650 4.340 -0.000 0.000 0.266 45 L C 1.201 177.669 176.870 -0.670 0.000 0.978 45 L CA -0.527 54.184 54.840 -0.216 0.000 0.822 45 L CB 1.350 43.338 42.059 -0.118 0.000 1.310 45 L HN 0.741 nan 8.230 nan 0.000 0.409 46 H N 3.448 122.312 119.070 -0.344 0.000 2.495 46 H HA -0.113 4.443 4.556 -0.000 0.000 0.287 46 H C 1.297 176.658 175.328 0.055 0.000 1.033 46 H CA 1.005 56.890 56.048 -0.272 0.000 1.307 46 H CB -0.027 29.859 29.762 0.206 0.000 1.401 46 H HN 0.830 nan 8.280 nan 0.000 0.555 47 W N 2.431 123.493 121.300 -0.397 0.000 2.315 47 W HA -0.211 4.449 4.660 -0.000 0.000 0.323 47 W C 2.245 178.752 176.519 -0.019 0.000 1.233 47 W CA 1.876 59.068 57.345 -0.255 0.000 1.267 47 W CB -0.066 29.256 29.460 -0.230 0.000 1.160 47 W HN 0.283 nan 8.180 nan 0.000 0.474 48 E N 0.816 120.977 120.200 -0.064 0.000 2.051 48 E HA -0.257 4.092 4.350 -0.000 0.000 0.192 48 E C 2.137 178.619 176.600 -0.197 0.000 0.991 48 E CA 1.557 57.872 56.400 -0.142 0.000 0.799 48 E CB -0.319 29.374 29.700 -0.012 0.000 0.748 48 E HN 0.115 nan 8.360 nan 0.000 0.449 49 R N -0.879 119.522 120.500 -0.164 0.000 2.075 49 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 49 R C 1.961 177.990 176.300 -0.451 0.000 1.114 49 R CA 1.323 57.247 56.100 -0.293 0.000 0.972 49 R CB -0.466 29.631 30.300 -0.339 0.000 0.869 49 R HN 0.159 nan 8.270 nan 0.000 0.437 50 F N -0.636 119.306 119.950 -0.013 0.000 2.694 50 F HA 0.338 4.865 4.527 -0.000 0.000 0.292 50 F C 1.082 176.856 175.800 -0.044 0.000 1.121 50 F CA 0.078 58.094 58.000 0.027 0.000 1.352 50 F CB 0.202 39.257 39.000 0.092 0.000 1.107 50 F HN -0.166 nan 8.300 nan 0.000 0.597 51 M N -0.974 118.566 119.600 -0.099 0.000 7.319 51 M HA -0.395 4.085 4.480 -0.000 0.000 0.235 51 M C 0.484 176.670 176.300 -0.189 0.000 0.480 51 M CA 1.331 56.191 55.300 -0.734 0.000 1.311 51 M CB -1.614 30.638 32.600 -0.579 0.000 0.421 51 M HN 0.176 nan 8.290 nan 0.000 0.637 52 c N 2.745 121.293 118.600 -0.087 0.000 2.429 52 c HA 0.347 4.917 4.570 -0.000 0.000 0.310 52 c C 0.292 174.491 174.090 0.182 0.000 1.446 52 c CA -0.508 55.974 56.329 0.254 0.000 1.747 52 c CB -1.834 40.916 42.510 0.399 0.000 2.865 52 c HN 0.488 nan 8.230 nan 0.000 0.554 53 N N 1.419 120.200 118.700 0.135 0.000 2.399 53 N HA 0.173 4.913 4.740 -0.000 0.000 0.259 53 N C 0.529 176.109 175.510 0.117 0.000 1.160 53 N CA 0.221 53.336 53.050 0.109 0.000 0.946 53 N CB 0.452 39.001 38.487 0.104 0.000 1.156 53 N HN 0.622 nan 8.380 nan 0.000 0.489 54 L N 1.259 122.553 121.223 0.119 0.000 2.728 54 L HA 0.234 4.574 4.340 -0.000 0.000 0.238 54 L C 0.461 177.377 176.870 0.076 0.000 1.143 54 L CA -0.093 54.816 54.840 0.114 0.000 0.937 54 L CB 0.078 42.232 42.059 0.157 0.000 1.225 54 L HN 0.314 nan 8.230 nan 0.000 0.507 55 D N -0.193 120.244 120.400 0.061 0.000 2.631 55 D HA 0.102 4.742 4.640 -0.000 0.000 0.227 55 D C 0.980 177.296 176.300 0.027 0.000 1.146 55 D CA -0.117 53.908 54.000 0.042 0.000 1.009 55 D CB 0.334 41.157 40.800 0.037 0.000 1.057 55 D HN 0.125 nan 8.370 nan 0.000 0.509 56 c N 1.422 120.033 118.600 0.018 0.000 2.481 56 c HA 0.002 4.572 4.570 -0.000 0.000 0.275 56 c C 2.408 176.497 174.090 -0.002 0.000 1.419 56 c CA -0.145 56.184 56.329 -0.001 0.000 1.773 56 c CB -0.314 42.184 42.510 -0.019 0.000 1.862 56 c HN 0.584 nan 8.230 nan 0.000 0.530 57 Q N 0.978 120.781 119.800 0.005 0.000 2.016 57 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 57 Q C 2.140 178.142 176.000 0.003 0.000 0.978 57 Q CA 1.542 57.347 55.803 0.003 0.000 0.833 57 Q CB -0.199 28.543 28.738 0.007 0.000 0.895 57 Q HN 0.641 nan 8.270 nan 0.000 0.427 58 E N 0.227 120.431 120.200 0.008 0.000 2.190 58 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 58 E C 0.061 176.665 176.600 0.008 0.000 0.978 58 E CA 0.450 56.854 56.400 0.006 0.000 0.839 58 E CB 0.439 30.143 29.700 0.007 0.000 0.787 58 E HN 0.407 nan 8.360 nan 0.000 0.473 59 E N 1.286 121.494 120.200 0.013 0.000 3.786 59 E HA 0.137 4.487 4.350 -0.000 0.000 0.215 59 E C -2.066 174.544 176.600 0.018 0.000 1.188 59 E CA -1.299 55.113 56.400 0.021 0.000 1.248 59 E CB 1.159 30.878 29.700 0.031 0.000 1.260 59 E HN 0.033 nan 8.360 nan 0.000 0.426 60 P HA -0.136 nan 4.420 nan 0.000 0.220 60 P C 0.464 177.751 177.300 -0.021 0.000 1.148 60 P CA 1.033 64.124 63.100 -0.014 0.000 0.803 60 P CB 0.408 32.098 31.700 -0.017 0.000 0.782 61 D N -0.853 119.551 120.400 0.007 0.000 2.350 61 D HA 0.006 4.646 4.640 -0.000 0.000 0.213 61 D C 1.489 177.818 176.300 0.049 0.000 1.031 61 D CA 0.850 54.859 54.000 0.015 0.000 0.861 61 D CB 0.220 41.050 40.800 0.051 0.000 0.926 61 D HN 0.320 nan 8.370 nan 0.000 0.520 62 S N -0.651 115.102 115.700 0.088 0.000 2.787 62 S HA 0.051 4.521 4.470 -0.000 0.000 0.255 62 S C 1.052 175.749 174.600 0.161 0.000 1.051 62 S CA -0.597 57.741 58.200 0.231 0.000 1.124 62 S CB -0.760 62.659 63.200 0.364 0.000 1.104 62 S HN 0.298 nan 8.310 nan 0.000 0.623 63 c N 2.387 121.014 118.600 0.044 0.000 2.700 63 c HA 0.610 5.180 4.570 -0.000 0.000 0.397 63 c C 0.716 174.775 174.090 -0.051 0.000 1.301 63 c CA -1.184 55.159 56.329 0.023 0.000 2.219 63 c CB -0.905 41.611 42.510 0.009 0.000 2.699 63 c HN 0.456 nan 8.230 nan 0.000 0.669 64 I N 4.320 124.888 120.570 -0.004 0.000 2.389 64 I HA 0.290 4.460 4.170 -0.000 0.000 0.295 64 I C 0.835 176.953 176.117 0.002 0.000 1.117 64 I CA 1.054 62.356 61.300 0.004 0.000 1.317 64 I CB -1.148 36.921 38.000 0.115 0.000 1.431 64 I HN 1.029 nan 8.210 nan 0.000 0.521 65 S N 3.549 119.137 115.700 -0.186 0.000 2.607 65 S HA 0.359 4.828 4.470 -0.000 0.000 0.273 65 S C 0.718 174.944 174.600 -0.623 0.000 1.148 65 S CA -0.794 57.054 58.200 -0.586 0.000 0.833 65 S CB 2.308 65.301 63.200 -0.346 0.000 1.130 65 S HN 0.586 nan 8.310 nan 0.000 0.470 66 E N 1.117 120.751 120.200 -0.944 0.000 2.097 66 E HA -0.248 4.101 4.350 -0.000 0.000 0.196 66 E C 1.743 178.267 176.600 -0.127 0.000 1.000 66 E CA 1.557 57.739 56.400 -0.365 0.000 0.804 66 E CB -0.181 29.366 29.700 -0.254 0.000 0.740 66 E HN 0.680 nan 8.360 nan 0.000 0.454 67 K N 0.274 120.558 120.400 -0.193 0.000 2.032 67 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 67 K C 2.354 178.845 176.600 -0.181 0.000 1.048 67 K CA 1.377 57.567 56.287 -0.161 0.000 0.927 67 K CB -0.253 32.155 32.500 -0.152 0.000 0.712 67 K HN 0.163 nan 8.250 nan 0.000 0.441 68 L N 0.568 121.635 121.223 -0.260 0.000 2.013 68 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 68 L C 1.901 178.480 176.870 -0.484 0.000 1.073 68 L CA 1.797 56.369 54.840 -0.447 0.000 0.753 68 L CB -0.477 41.178 42.059 -0.673 0.000 0.890 68 L HN 0.167 nan 8.230 nan 0.000 0.432 69 F N -1.307 118.544 119.950 -0.165 0.000 2.259 69 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 69 F C 2.375 178.131 175.800 -0.073 0.000 1.088 69 F CA 1.214 59.157 58.000 -0.095 0.000 1.358 69 F CB -0.551 38.485 39.000 0.061 0.000 1.040 69 F HN 0.029 nan 8.300 nan 0.000 0.505 70 M N -0.135 119.513 119.600 0.080 0.000 2.080 70 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 70 M C 2.140 178.460 176.300 0.034 0.000 1.068 70 M CA 1.848 57.184 55.300 0.060 0.000 1.109 70 M CB -0.537 31.961 32.600 -0.171 0.000 1.342 70 M HN 0.151 nan 8.290 nan 0.000 0.405 71 E N -0.217 119.927 120.200 -0.093 0.000 2.085 71 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 71 E C 2.027 178.519 176.600 -0.179 0.000 0.994 71 E CA 1.248 57.573 56.400 -0.125 0.000 0.801 71 E CB -0.049 29.553 29.700 -0.164 0.000 0.743 71 E HN 0.423 nan 8.360 nan 0.000 0.453 72 M N 0.206 119.613 119.600 -0.322 0.000 2.132 72 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 72 M C 2.474 178.603 176.300 -0.284 0.000 1.065 72 M CA 1.194 56.195 55.300 -0.497 0.000 1.122 72 M CB -1.128 30.860 32.600 -1.021 0.000 1.365 72 M HN 0.109 nan 8.290 nan 0.000 0.411 73 A N 0.512 123.265 122.820 -0.112 0.000 1.883 73 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 73 A C 2.107 179.685 177.584 -0.010 0.000 1.186 73 A CA 2.041 54.071 52.037 -0.012 0.000 0.624 73 A CB -0.834 18.223 19.000 0.096 0.000 0.822 73 A HN 0.579 nan 8.150 nan 0.000 0.444 74 E N -0.345 119.870 120.200 0.025 0.000 2.085 74 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 74 E C 1.955 178.566 176.600 0.019 0.000 0.994 74 E CA 1.371 57.788 56.400 0.028 0.000 0.801 74 E CB -0.296 29.435 29.700 0.051 0.000 0.743 74 E HN 0.633 nan 8.360 nan 0.000 0.453 75 L N 0.049 121.271 121.223 -0.002 0.000 2.109 75 L HA -0.108 4.231 4.340 -0.000 0.000 0.207 75 L C 2.483 179.473 176.870 0.200 0.000 1.086 75 L CA 0.671 55.546 54.840 0.058 0.000 0.760 75 L CB -0.206 41.855 42.059 0.004 0.000 0.910 75 L HN 0.196 nan 8.230 nan 0.000 0.437 76 M N -0.988 118.680 119.600 0.114 0.000 2.149 76 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 76 M C 2.159 178.606 176.300 0.245 0.000 1.064 76 M CA 1.461 56.906 55.300 0.241 0.000 1.102 76 M CB -0.285 32.366 32.600 0.085 0.000 1.369 76 M HN 0.103 nan 8.290 nan 0.000 0.408 77 V N -0.558 119.428 119.914 0.120 0.000 2.273 77 V HA -0.184 3.936 4.120 -0.000 0.000 0.242 77 V C 2.403 178.531 176.094 0.057 0.000 1.035 77 V CA 2.037 64.380 62.300 0.072 0.000 1.013 77 V CB -0.822 31.012 31.823 0.019 0.000 0.652 77 V HN 0.585 nan 8.190 nan 0.000 0.452 78 S N -0.422 115.309 115.700 0.052 0.000 2.453 78 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 78 S C 1.459 176.062 174.600 0.005 0.000 1.005 78 S CA 0.984 59.198 58.200 0.023 0.000 0.949 78 S CB -0.214 62.997 63.200 0.018 0.000 0.774 78 S HN 0.581 nan 8.310 nan 0.000 0.510 79 E N 0.707 120.926 120.200 0.031 0.000 2.451 79 E HA 0.281 4.631 4.350 -0.000 0.000 0.194 79 E C 1.090 177.489 176.600 -0.335 0.000 1.027 79 E CA 0.355 56.705 56.400 -0.084 0.000 0.914 79 E CB 0.202 29.936 29.700 0.057 0.000 1.054 79 E HN 0.671 nan 8.360 nan 0.000 0.461 80 G N 0.812 109.504 108.800 -0.180 0.000 2.148 80 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 80 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 80 G C 0.753 175.556 174.900 -0.162 0.000 0.981 80 G CA 0.485 45.472 45.100 -0.190 0.000 0.670 80 G HN 0.362 nan 8.290 nan 0.000 0.528 81 W N 0.192 121.533 121.300 0.069 0.000 2.407 81 W HA 0.138 4.798 4.660 -0.000 0.000 0.305 81 W C 2.581 179.231 176.519 0.220 0.000 1.196 81 W CA 1.470 58.903 57.345 0.147 0.000 1.311 81 W CB -0.184 29.312 29.460 0.061 0.000 1.135 81 W HN 0.332 nan 8.180 nan 0.000 0.514 82 K N 0.639 121.245 120.400 0.343 0.000 2.026 82 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 82 K C 1.473 178.160 176.600 0.144 0.000 1.048 82 K CA 2.047 58.467 56.287 0.221 0.000 0.929 82 K CB -0.351 32.232 32.500 0.138 0.000 0.713 82 K HN -0.060 nan 8.250 nan 0.000 0.439 83 D N 0.262 120.721 120.400 0.098 0.000 2.190 83 D HA -0.165 4.475 4.640 -0.000 0.000 0.200 83 D C 1.501 177.832 176.300 0.053 0.000 0.992 83 D CA 1.386 55.416 54.000 0.049 0.000 0.854 83 D CB -0.082 40.725 40.800 0.012 0.000 0.936 83 D HN 0.401 nan 8.370 nan 0.000 0.462 84 A N -0.817 122.065 122.820 0.104 0.000 2.218 84 A HA 0.436 4.756 4.320 -0.000 0.000 0.209 84 A C 1.809 179.409 177.584 0.025 0.000 1.168 84 A CA 1.214 53.310 52.037 0.099 0.000 0.804 84 A CB 0.195 19.312 19.000 0.195 0.000 0.834 84 A HN 0.280 nan 8.150 nan 0.000 0.482 85 G N -2.459 106.366 108.800 0.042 0.000 2.229 85 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.189 85 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.189 85 G C -0.080 174.773 174.900 -0.078 0.000 1.000 85 G CA -0.149 44.913 45.100 -0.064 0.000 0.663 85 G HN 0.335 nan 8.290 nan 0.000 0.493 86 Y N 1.436 121.837 120.300 0.169 0.000 2.674 86 Y HA 0.464 5.014 4.550 -0.000 0.000 0.354 86 Y C 1.441 177.454 175.900 0.188 0.000 1.089 86 Y CA 0.679 58.898 58.100 0.198 0.000 1.444 86 Y CB 1.027 39.648 38.460 0.269 0.000 1.187 86 Y HN 0.285 nan 8.280 nan 0.000 0.523 87 E N 1.715 122.086 120.200 0.285 0.000 2.364 87 E HA 0.087 4.437 4.350 -0.000 0.000 0.203 87 E C -0.966 175.689 176.600 0.092 0.000 0.888 87 E CA 0.326 56.809 56.400 0.139 0.000 0.989 87 E CB 0.220 29.944 29.700 0.040 0.000 0.985 87 E HN 0.546 nan 8.360 nan 0.000 0.499 88 Y N 0.831 121.297 120.300 0.276 0.000 2.404 88 Y HA 0.345 4.895 4.550 -0.000 0.000 0.344 88 Y C -0.491 175.657 175.900 0.413 0.000 0.970 88 Y CA -1.064 57.241 58.100 0.342 0.000 1.180 88 Y CB 1.063 39.783 38.460 0.433 0.000 1.138 88 Y HN 0.001 nan 8.280 nan 0.000 0.510 89 L N 5.043 126.525 121.223 0.432 0.000 2.260 89 L HA 0.499 4.838 4.340 -0.000 0.000 0.289 89 L C -1.029 176.125 176.870 0.473 0.000 1.057 89 L CA -0.298 54.824 54.840 0.470 0.000 0.811 89 L CB -0.115 42.133 42.059 0.315 0.000 1.184 89 L HN 0.686 nan 8.230 nan 0.000 0.429 90 C N 6.041 125.696 119.300 0.592 0.000 2.345 90 C HA 0.539 4.999 4.460 -0.000 0.000 0.323 90 C C 0.302 175.579 174.990 0.478 0.000 1.276 90 C CA -1.231 58.023 59.018 0.394 0.000 1.543 90 C CB 0.463 28.353 27.740 0.249 0.000 2.211 90 C HN 0.711 nan 8.230 nan 0.000 0.493 91 I N 3.084 123.761 120.570 0.178 0.000 2.474 91 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 91 I C 0.698 176.981 176.117 0.277 0.000 1.048 91 I CA 0.569 61.996 61.300 0.212 0.000 1.383 91 I CB 0.355 38.123 38.000 -0.386 0.000 1.412 91 I HN 0.688 nan 8.210 nan 0.000 0.531 92 D N 3.516 124.135 120.400 0.365 0.000 2.538 92 D HA 0.107 4.746 4.640 -0.000 0.000 0.262 92 D C -0.432 175.877 176.300 0.015 0.000 1.186 92 D CA -0.421 53.570 54.000 -0.015 0.000 1.090 92 D CB 1.031 41.597 40.800 -0.389 0.000 1.187 92 D HN 0.437 nan 8.370 nan 0.000 0.614 93 D N -0.899 119.105 120.400 -0.660 0.000 2.354 93 D HA 0.028 4.667 4.640 -0.000 0.000 0.238 93 D C 0.177 176.614 176.300 0.228 0.000 1.250 93 D CA 0.183 53.840 54.000 -0.572 0.000 0.911 93 D CB 0.354 40.644 40.800 -0.851 0.000 1.163 93 D HN 0.551 nan 8.370 nan 0.000 0.456 94 c N 1.191 119.830 118.600 0.064 0.000 4.549 94 c HA -0.116 4.454 4.570 -0.000 0.000 0.290 94 c C 1.526 175.583 174.090 -0.055 0.000 1.328 94 c CA 0.093 56.369 56.329 -0.089 0.000 2.002 94 c CB -2.550 40.149 42.510 0.316 0.000 1.238 94 c HN 0.755 nan 8.230 nan 0.000 0.780 95 W N -1.206 120.003 121.300 -0.152 0.000 2.872 95 W HA 0.470 5.130 4.660 -0.000 0.000 0.266 95 W C 0.656 176.974 176.519 -0.335 0.000 1.276 95 W CA -0.323 56.881 57.345 -0.235 0.000 1.471 95 W CB -0.668 28.532 29.460 -0.433 0.000 1.071 95 W HN 0.341 nan 8.180 nan 0.000 0.619 96 M N 1.975 120.916 119.600 -1.098 0.000 2.241 96 M HA 0.407 4.887 4.480 -0.000 0.000 0.335 96 M C 0.740 176.729 176.300 -0.517 0.000 1.122 96 M CA -0.128 54.562 55.300 -1.017 0.000 1.164 96 M CB 1.076 33.040 32.600 -1.061 0.000 1.459 96 M HN -0.101 nan 8.290 nan 0.000 0.461 97 A N 3.398 126.075 122.820 -0.239 0.000 2.425 97 A HA 0.293 4.613 4.320 -0.000 0.000 0.242 97 A C -1.504 176.087 177.584 0.012 0.000 1.077 97 A CA -1.213 50.785 52.037 -0.065 0.000 0.781 97 A CB -0.527 18.468 19.000 -0.008 0.000 1.020 97 A HN 0.700 nan 8.150 nan 0.000 0.494 98 P HA -0.103 nan 4.420 nan 0.000 0.219 98 P C -0.013 177.321 177.300 0.058 0.000 1.146 98 P CA 1.325 64.530 63.100 0.176 0.000 0.808 98 P CB 0.196 31.971 31.700 0.125 0.000 0.779 99 Q N -0.409 119.401 119.800 0.017 0.000 2.351 99 Q HA 0.381 4.721 4.340 -0.000 0.000 0.273 99 Q C 0.252 176.226 176.000 -0.045 0.000 1.077 99 Q CA -0.916 54.874 55.803 -0.020 0.000 0.843 99 Q CB 2.010 30.741 28.738 -0.012 0.000 1.367 99 Q HN 0.077 nan 8.270 nan 0.000 0.449 100 R N 0.888 121.336 120.500 -0.086 0.000 2.707 100 R HA 0.065 4.404 4.340 -0.000 0.000 0.270 100 R C 0.256 176.530 176.300 -0.044 0.000 1.083 100 R CA -0.184 55.854 56.100 -0.103 0.000 1.182 100 R CB 0.258 30.429 30.300 -0.214 0.000 1.084 100 R HN 0.683 nan 8.270 nan 0.000 0.528 101 D N -0.497 119.891 120.400 -0.020 0.000 2.440 101 D HA -0.051 4.589 4.640 -0.000 0.000 0.269 101 D C 0.890 177.192 176.300 0.003 0.000 1.249 101 D CA -0.134 53.872 54.000 0.009 0.000 1.055 101 D CB 0.130 40.955 40.800 0.040 0.000 1.104 101 D HN 0.396 nan 8.370 nan 0.000 0.561 102 S N -1.008 114.701 115.700 0.014 0.000 2.383 102 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 102 S C 1.194 175.801 174.600 0.013 0.000 1.030 102 S CA 0.872 59.080 58.200 0.013 0.000 1.002 102 S CB -0.586 62.623 63.200 0.016 0.000 0.829 102 S HN 0.566 nan 8.310 nan 0.000 0.467 103 E N 1.166 121.374 120.200 0.013 0.000 2.494 103 E HA 0.196 4.545 4.350 -0.000 0.000 0.193 103 E C 1.149 177.756 176.600 0.012 0.000 1.074 103 E CA 0.413 56.820 56.400 0.011 0.000 0.867 103 E CB -0.331 29.375 29.700 0.010 0.000 0.924 103 E HN 0.760 nan 8.360 nan 0.000 0.502 104 G N 2.413 111.216 108.800 0.004 0.000 2.176 104 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 104 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 104 G C 0.117 174.956 174.900 -0.102 0.000 1.024 104 G CA 0.271 45.368 45.100 -0.005 0.000 0.755 104 G HN 0.185 nan 8.290 nan 0.000 0.507 105 R N -1.016 119.428 120.500 -0.093 0.000 2.598 105 R HA 0.652 4.992 4.340 -0.000 0.000 0.279 105 R C 0.853 177.089 176.300 -0.106 0.000 0.984 105 R CA -0.977 55.045 56.100 -0.129 0.000 0.999 105 R CB 1.065 31.316 30.300 -0.081 0.000 1.114 105 R HN 0.201 nan 8.270 nan 0.000 0.493 106 L N 2.594 123.746 121.223 -0.118 0.000 2.483 106 L HA 0.031 4.371 4.340 -0.000 0.000 0.276 106 L C 0.426 177.481 176.870 0.309 0.000 1.213 106 L CA 0.491 55.353 54.840 0.038 0.000 0.843 106 L CB 0.202 42.336 42.059 0.126 0.000 1.107 106 L HN 0.554 nan 8.230 nan 0.000 0.487 107 Q N 2.421 122.370 119.800 0.248 0.000 2.389 107 Q HA 0.762 5.102 4.340 -0.000 0.000 0.277 107 Q C -1.185 174.946 176.000 0.218 0.000 1.082 107 Q CA -1.078 54.918 55.803 0.322 0.000 0.810 107 Q CB 2.088 30.929 28.738 0.172 0.000 1.374 107 Q HN 0.601 nan 8.270 nan 0.000 0.422 108 A N 1.496 124.475 122.820 0.265 0.000 2.386 108 A HA 0.192 4.512 4.320 -0.000 0.000 0.248 108 A C -0.329 177.322 177.584 0.112 0.000 1.082 108 A CA -0.166 51.986 52.037 0.192 0.000 0.789 108 A CB 0.192 19.205 19.000 0.020 0.000 1.025 108 A HN 0.889 nan 8.150 nan 0.000 0.490 109 D N 1.712 122.194 120.400 0.135 0.000 2.531 109 D HA 0.109 4.749 4.640 -0.000 0.000 0.239 109 D C -1.156 175.239 176.300 0.159 0.000 1.144 109 D CA -0.668 53.416 54.000 0.140 0.000 0.869 109 D CB 0.828 41.736 40.800 0.181 0.000 1.160 109 D HN 0.225 nan 8.370 nan 0.000 0.484 110 P HA -0.155 nan 4.420 nan 0.000 0.218 110 P C 0.707 178.021 177.300 0.024 0.000 1.149 110 P CA 1.228 64.358 63.100 0.051 0.000 0.817 110 P CB 0.331 32.049 31.700 0.031 0.000 0.785 111 Q N -0.685 119.133 119.800 0.030 0.000 2.204 111 Q HA 0.097 4.437 4.340 -0.000 0.000 0.198 111 Q C 2.375 178.355 176.000 -0.032 0.000 0.946 111 Q CA 1.055 56.854 55.803 -0.006 0.000 0.859 111 Q CB -0.260 28.479 28.738 0.002 0.000 0.946 111 Q HN 0.210 nan 8.270 nan 0.000 0.474 112 R N -1.052 119.451 120.500 0.006 0.000 2.173 112 R HA 0.132 4.472 4.340 -0.000 0.000 0.208 112 R C -0.119 175.969 176.300 -0.354 0.000 1.035 112 R CA 0.543 56.571 56.100 -0.119 0.000 1.004 112 R CB 0.402 30.689 30.300 -0.022 0.000 0.917 112 R HN 0.118 nan 8.270 nan 0.000 0.462 113 F N 1.013 120.959 119.950 -0.006 0.000 2.523 113 F HA 0.294 4.821 4.527 -0.000 0.000 0.322 113 F C -1.677 174.078 175.800 -0.075 0.000 1.361 113 F CA -2.131 55.857 58.000 -0.020 0.000 1.151 113 F CB 1.600 40.604 39.000 0.007 0.000 1.391 113 F HN -0.139 nan 8.300 nan 0.000 0.566 114 P HA -0.138 nan 4.420 nan 0.000 0.223 114 P C 0.739 177.878 177.300 -0.268 0.000 1.151 114 P CA 1.635 64.620 63.100 -0.193 0.000 0.787 114 P CB 0.079 31.582 31.700 -0.329 0.000 0.788 115 H N -1.223 117.848 119.070 0.002 0.000 2.563 115 H HA 0.362 4.918 4.556 -0.000 0.000 0.264 115 H C 1.210 176.508 175.328 -0.049 0.000 0.957 115 H CA 0.552 56.586 56.048 -0.024 0.000 1.173 115 H CB -0.007 29.730 29.762 -0.042 0.000 1.420 115 H HN 0.189 nan 8.280 nan 0.000 0.551 116 G N 0.444 109.264 108.800 0.034 0.000 2.746 116 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.685 116 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.685 116 G C 0.437 175.176 174.900 -0.267 0.000 1.350 116 G CA -0.255 44.761 45.100 -0.139 0.000 0.837 116 G HN 0.092 nan 8.290 nan 0.000 0.564 117 I N 0.449 120.619 120.570 -0.666 0.000 2.286 117 I HA -0.036 4.134 4.170 -0.000 0.000 0.245 117 I C 2.875 178.706 176.117 -0.476 0.000 1.104 117 I CA 1.876 62.755 61.300 -0.701 0.000 1.397 117 I CB -1.076 36.248 38.000 -1.127 0.000 1.072 117 I HN 0.760 nan 8.210 nan 0.000 0.417 118 R N 0.790 120.951 120.500 -0.565 0.000 2.094 118 R HA -0.213 4.126 4.340 -0.000 0.000 0.239 118 R C 2.309 178.553 176.300 -0.094 0.000 1.137 118 R CA 1.630 57.621 56.100 -0.181 0.000 0.943 118 R CB -0.052 30.215 30.300 -0.055 0.000 0.850 118 R HN 0.373 nan 8.270 nan 0.000 0.433 119 Q N 0.338 120.082 119.800 -0.092 0.000 2.096 119 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 119 Q C 2.168 178.148 176.000 -0.032 0.000 0.982 119 Q CA 1.261 57.040 55.803 -0.040 0.000 0.850 119 Q CB -0.328 28.402 28.738 -0.013 0.000 0.901 119 Q HN 0.293 nan 8.270 nan 0.000 0.422 120 L N 0.605 121.797 121.223 -0.052 0.000 2.046 120 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 120 L C 2.158 179.000 176.870 -0.047 0.000 1.077 120 L CA 2.058 56.890 54.840 -0.013 0.000 0.747 120 L CB -0.825 41.224 42.059 -0.017 0.000 0.896 120 L HN 0.119 nan 8.230 nan 0.000 0.432 121 A N -0.514 122.213 122.820 -0.155 0.000 1.933 121 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 121 A C 2.077 179.382 177.584 -0.464 0.000 1.175 121 A CA 2.004 53.826 52.037 -0.358 0.000 0.628 121 A CB -0.995 17.845 19.000 -0.267 0.000 0.814 121 A HN 0.687 nan 8.150 nan 0.000 0.444 122 N N -1.773 116.842 118.700 -0.142 0.000 2.069 122 N HA -0.243 4.496 4.740 -0.000 0.000 0.191 122 N C 1.772 177.290 175.510 0.014 0.000 1.031 122 N CA 1.767 54.813 53.050 -0.007 0.000 0.852 122 N CB -0.368 38.144 38.487 0.041 0.000 1.018 122 N HN 0.628 nan 8.380 nan 0.000 0.423 123 Y N 1.903 122.148 120.300 -0.092 0.000 2.114 123 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 123 Y C 2.191 178.059 175.900 -0.053 0.000 1.143 123 Y CA 1.123 59.185 58.100 -0.063 0.000 1.135 123 Y CB -0.560 37.861 38.460 -0.065 0.000 0.980 123 Y HN -0.179 nan 8.280 nan 0.000 0.499 124 V N 0.341 120.184 119.914 -0.118 0.000 2.332 124 V HA -0.371 3.749 4.120 -0.000 0.000 0.248 124 V C 2.142 178.171 176.094 -0.109 0.000 1.055 124 V CA 2.518 64.721 62.300 -0.162 0.000 1.038 124 V CB -0.926 30.844 31.823 -0.089 0.000 0.651 124 V HN 0.559 nan 8.190 nan 0.000 0.450 125 H N 0.337 119.367 119.070 -0.066 0.000 2.387 125 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 125 H C 2.488 177.764 175.328 -0.087 0.000 1.090 125 H CA 1.354 57.366 56.048 -0.060 0.000 1.332 125 H CB -0.061 29.689 29.762 -0.021 0.000 1.386 125 H HN 0.591 nan 8.280 nan 0.000 0.516 126 S N 0.736 116.433 115.700 -0.005 0.000 2.469 126 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 126 S C 1.636 176.164 174.600 -0.119 0.000 0.998 126 S CA 0.794 58.957 58.200 -0.060 0.000 0.957 126 S CB 0.044 63.198 63.200 -0.077 0.000 0.764 126 S HN 0.272 nan 8.310 nan 0.000 0.514 127 K N 0.641 120.932 120.400 -0.182 0.000 2.404 127 K HA 0.219 4.539 4.320 -0.000 0.000 0.194 127 K C 1.291 177.847 176.600 -0.073 0.000 1.023 127 K CA 0.573 56.760 56.287 -0.167 0.000 1.094 127 K CB -0.099 32.247 32.500 -0.257 0.000 0.841 127 K HN 0.589 nan 8.250 nan 0.000 0.523 128 G N 1.827 110.604 108.800 -0.038 0.000 2.143 128 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 128 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 128 G C 0.062 174.957 174.900 -0.009 0.000 0.991 128 G CA 0.229 45.319 45.100 -0.016 0.000 0.689 128 G HN 0.193 nan 8.290 nan 0.000 0.522 129 L N -1.310 119.915 121.223 0.003 0.000 2.335 129 L HA 0.778 5.118 4.340 -0.000 0.000 0.268 129 L C 0.608 177.501 176.870 0.038 0.000 1.016 129 L CA -1.170 53.672 54.840 0.003 0.000 0.805 129 L CB 1.378 43.448 42.059 0.018 0.000 1.311 129 L HN 0.003 nan 8.230 nan 0.000 0.456 130 K N 0.702 121.067 120.400 -0.059 0.000 2.318 130 K HA 0.585 4.904 4.320 -0.000 0.000 0.249 130 K C -1.528 175.116 176.600 0.073 0.000 0.942 130 K CA -0.799 55.459 56.287 -0.049 0.000 0.808 130 K CB 2.451 34.639 32.500 -0.520 0.000 1.189 130 K HN 0.174 nan 8.250 nan 0.000 0.428 131 L N 1.306 122.618 121.223 0.148 0.000 2.296 131 L HA 0.526 4.866 4.340 -0.000 0.000 0.286 131 L C -0.314 176.667 176.870 0.186 0.000 1.023 131 L CA 0.174 55.084 54.840 0.118 0.000 0.812 131 L CB 1.420 43.461 42.059 -0.030 0.000 1.223 131 L HN 0.718 nan 8.230 nan 0.000 0.421 132 G N 5.098 114.013 108.800 0.192 0.000 2.400 132 G HA2 0.638 4.597 3.960 -0.000 0.000 0.333 132 G HA3 0.638 4.597 3.960 -0.000 0.000 0.333 132 G C -1.177 173.693 174.900 -0.050 0.000 1.143 132 G CA -0.380 44.803 45.100 0.137 0.000 0.914 132 G HN 0.710 nan 8.290 nan 0.000 0.480 133 I N -0.311 120.173 120.570 -0.143 0.000 3.322 133 I HA 0.723 4.893 4.170 -0.000 0.000 0.313 133 I C -1.713 174.352 176.117 -0.087 0.000 1.129 133 I CA -1.576 59.547 61.300 -0.294 0.000 0.963 133 I CB 2.695 40.335 38.000 -0.600 0.000 1.273 133 I HN 0.547 nan 8.210 nan 0.000 0.473 134 Y N 2.693 122.950 120.300 -0.071 0.000 2.442 134 Y HA 0.807 5.357 4.550 -0.000 0.000 0.344 134 Y C -0.923 175.234 175.900 0.429 0.000 0.976 134 Y CA -0.318 57.897 58.100 0.191 0.000 1.040 134 Y CB 1.651 40.253 38.460 0.237 0.000 1.228 134 Y HN 0.668 nan 8.280 nan 0.000 0.451 135 A N 3.952 126.728 122.820 -0.074 0.000 2.533 135 A HA 0.598 4.918 4.320 -0.000 0.000 0.293 135 A C -2.041 175.372 177.584 -0.284 0.000 1.228 135 A CA -0.700 51.430 52.037 0.155 0.000 0.689 135 A CB 1.877 21.277 19.000 0.667 0.000 1.303 135 A HN 0.709 nan 8.150 nan 0.000 0.444 136 D N -0.511 119.798 120.400 -0.152 0.000 2.896 136 D HA 0.295 4.935 4.640 -0.000 0.000 0.241 136 D C 0.387 176.288 176.300 -0.666 0.000 1.188 136 D CA -0.325 53.352 54.000 -0.539 0.000 0.879 136 D CB 2.479 43.147 40.800 -0.221 0.000 1.553 136 D HN 0.268 nan 8.370 nan 0.000 0.515 137 V N 3.408 122.590 119.914 -1.220 0.000 2.594 137 V HA 0.035 4.154 4.120 -0.000 0.000 0.253 137 V C 1.239 177.251 176.094 -0.135 0.000 1.069 137 V CA 2.232 64.071 62.300 -0.769 0.000 1.082 137 V CB -0.237 30.892 31.823 -1.156 0.000 0.680 137 V HN 0.579 nan 8.190 nan 0.000 0.469 138 G N -1.054 107.628 108.800 -0.197 0.000 2.531 138 G HA2 0.088 4.048 3.960 -0.000 0.000 0.253 138 G HA3 0.088 4.048 3.960 -0.000 0.000 0.253 138 G C 0.618 175.514 174.900 -0.006 0.000 1.439 138 G CA 0.139 45.183 45.100 -0.094 0.000 1.056 138 G HN 0.299 nan 8.290 nan 0.000 0.555 139 N N -0.267 118.413 118.700 -0.033 0.000 2.354 139 N HA 0.035 4.775 4.740 -0.000 0.000 0.179 139 N C 0.323 175.792 175.510 -0.067 0.000 1.021 139 N CA 0.909 53.949 53.050 -0.017 0.000 0.887 139 N CB 0.169 38.617 38.487 -0.065 0.000 0.974 139 N HN 0.375 nan 8.380 nan 0.000 0.437 140 K N -0.182 120.155 120.400 -0.105 0.000 2.508 140 K HA 0.219 4.539 4.320 -0.000 0.000 0.260 140 K C -0.323 176.285 176.600 0.014 0.000 0.949 140 K CA -0.621 55.555 56.287 -0.186 0.000 0.834 140 K CB 2.080 34.214 32.500 -0.610 0.000 1.365 140 K HN -0.067 nan 8.250 nan 0.000 0.437 141 T N -2.384 112.218 114.554 0.079 0.000 2.802 141 T HA 0.022 4.372 4.350 -0.000 0.000 0.305 141 T C 1.411 176.285 174.700 0.290 0.000 1.053 141 T CA -0.445 61.795 62.100 0.233 0.000 1.058 141 T CB 0.425 69.539 68.868 0.410 0.000 0.988 141 T HN 0.688 nan 8.240 nan 0.000 0.539 142 c N 1.230 120.013 118.600 0.306 0.000 2.411 142 c HA 0.105 4.675 4.570 -0.000 0.000 0.279 142 c C 3.129 177.392 174.090 0.289 0.000 1.288 142 c CA 0.742 57.248 56.329 0.296 0.000 1.764 142 c CB -1.992 40.620 42.510 0.170 0.000 1.974 142 c HN 1.007 nan 8.230 nan 0.000 0.498 143 A N -0.694 122.266 122.820 0.234 0.000 2.238 143 A HA 0.435 4.755 4.320 -0.000 0.000 0.208 143 A C 1.759 179.335 177.584 -0.014 0.000 1.177 143 A CA 1.266 53.437 52.037 0.224 0.000 0.804 143 A CB -0.561 18.676 19.000 0.394 0.000 0.823 143 A HN 1.223 nan 8.150 nan 0.000 0.482 144 G N -2.313 106.447 108.800 -0.068 0.000 2.148 144 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.203 144 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.203 144 G C -0.041 174.578 174.900 -0.468 0.000 0.993 144 G CA -0.026 44.871 45.100 -0.338 0.000 0.661 144 G HN 0.260 nan 8.290 nan 0.000 0.518 145 F N 0.821 120.730 119.950 -0.067 0.000 2.362 145 F HA 0.590 5.117 4.527 -0.000 0.000 0.311 145 F C -1.645 174.084 175.800 -0.118 0.000 1.161 145 F CA -2.420 55.520 58.000 -0.100 0.000 1.085 145 F CB 0.330 39.258 39.000 -0.121 0.000 1.311 145 F HN -0.202 nan 8.300 nan 0.000 0.524 146 P HA 0.098 nan 4.420 nan 0.000 0.264 146 P C -0.169 177.124 177.300 -0.012 0.000 1.193 146 P CA 0.135 63.213 63.100 -0.036 0.000 0.763 146 P CB 0.163 31.804 31.700 -0.099 0.000 0.810 147 G N 1.444 110.232 108.800 -0.020 0.000 2.547 147 G HA2 0.263 4.223 3.960 -0.000 0.000 0.291 147 G HA3 0.263 4.223 3.960 -0.000 0.000 0.291 147 G C 0.585 175.507 174.900 0.038 0.000 1.211 147 G CA -0.394 44.718 45.100 0.019 0.000 0.950 147 G HN 0.358 nan 8.290 nan 0.000 0.504 148 S N -0.908 114.844 115.700 0.087 0.000 2.524 148 S HA 0.140 4.610 4.470 -0.000 0.000 0.215 148 S C 0.403 174.836 174.600 -0.279 0.000 0.986 148 S CA -0.606 57.631 58.200 0.061 0.000 0.911 148 S CB -0.113 63.286 63.200 0.333 0.000 0.805 148 S HN 0.451 nan 8.310 nan 0.000 0.501 149 F N 2.984 122.720 119.950 -0.357 0.000 2.612 149 F HA 0.365 4.892 4.527 -0.000 0.000 0.389 149 F C 1.373 176.883 175.800 -0.483 0.000 1.055 149 F CA 1.100 58.763 58.000 -0.562 0.000 1.232 149 F CB -0.113 38.764 39.000 -0.205 0.000 1.044 149 F HN 0.296 nan 8.300 nan 0.000 0.560 150 G N 4.498 112.464 108.800 -1.389 0.000 2.225 150 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.254 150 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.254 150 G C 0.194 174.498 174.900 -0.993 0.000 0.988 150 G CA 0.457 44.888 45.100 -1.116 0.000 0.625 150 G HN 0.739 nan 8.290 nan 0.000 0.527 151 Y N -0.662 119.233 120.300 -0.675 0.000 2.707 151 Y HA 0.424 4.974 4.550 -0.000 0.000 0.249 151 Y C 1.932 177.609 175.900 -0.372 0.000 1.166 151 Y CA -0.628 57.217 58.100 -0.425 0.000 1.184 151 Y CB 0.088 38.365 38.460 -0.304 0.000 1.240 151 Y HN 0.205 nan 8.280 nan 0.000 0.547 152 Y N 0.576 120.745 120.300 -0.218 0.000 2.165 152 Y HA -0.282 4.268 4.550 -0.000 0.000 0.286 152 Y C 1.863 177.664 175.900 -0.166 0.000 1.155 152 Y CA 1.368 59.329 58.100 -0.232 0.000 1.164 152 Y CB -0.422 37.762 38.460 -0.460 0.000 0.978 152 Y HN 0.239 nan 8.280 nan 0.000 0.513 153 D N -0.304 120.110 120.400 0.024 0.000 2.123 153 D HA -0.144 4.495 4.640 -0.000 0.000 0.200 153 D C 2.262 178.517 176.300 -0.075 0.000 0.976 153 D CA 1.327 55.336 54.000 0.014 0.000 0.831 153 D CB -0.375 40.455 40.800 0.050 0.000 0.974 153 D HN 0.377 nan 8.370 nan 0.000 0.469 154 I N 1.289 121.802 120.570 -0.094 0.000 2.353 154 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 154 I C 1.466 177.417 176.117 -0.278 0.000 1.119 154 I CA 1.280 62.498 61.300 -0.138 0.000 1.417 154 I CB 0.151 38.110 38.000 -0.068 0.000 1.078 154 I HN -0.246 nan 8.210 nan 0.000 0.421 155 D N 1.082 121.298 120.400 -0.306 0.000 2.117 155 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 155 D C 2.230 178.028 176.300 -0.836 0.000 0.987 155 D CA 1.482 55.103 54.000 -0.632 0.000 0.829 155 D CB -0.266 40.287 40.800 -0.411 0.000 0.961 155 D HN 0.475 nan 8.370 nan 0.000 0.460 156 A N 0.485 123.089 122.820 -0.359 0.000 1.877 156 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 156 A C 2.169 179.642 177.584 -0.184 0.000 1.186 156 A CA 1.770 53.705 52.037 -0.171 0.000 0.620 156 A CB -0.662 18.279 19.000 -0.098 0.000 0.822 156 A HN 0.128 nan 8.150 nan 0.000 0.443 157 Q N -0.319 119.354 119.800 -0.211 0.000 2.084 157 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 157 Q C 2.060 177.895 176.000 -0.275 0.000 0.978 157 Q CA 2.457 58.152 55.803 -0.180 0.000 0.844 157 Q CB -0.870 27.782 28.738 -0.144 0.000 0.898 157 Q HN 0.619 nan 8.270 nan 0.000 0.426 158 T N 0.335 114.602 114.554 -0.478 0.000 2.684 158 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 158 T C 1.277 175.479 174.700 -0.829 0.000 1.036 158 T CA 1.493 63.124 62.100 -0.781 0.000 1.148 158 T CB -0.437 67.814 68.868 -1.028 0.000 0.863 158 T HN 0.203 nan 8.240 nan 0.000 0.436 159 F N 1.936 121.592 119.950 -0.490 0.000 2.095 159 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 159 F C 2.751 178.506 175.800 -0.076 0.000 1.104 159 F CA 0.326 58.182 58.000 -0.239 0.000 1.232 159 F CB -1.553 37.382 39.000 -0.110 0.000 0.987 159 F HN 0.157 nan 8.300 nan 0.000 0.475 160 A N 0.161 123.038 122.820 0.094 0.000 1.883 160 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 160 A C 2.012 179.649 177.584 0.089 0.000 1.186 160 A CA 2.079 54.167 52.037 0.085 0.000 0.624 160 A CB -1.043 17.976 19.000 0.033 0.000 0.822 160 A HN 0.297 nan 8.150 nan 0.000 0.444 161 D N -1.146 119.261 120.400 0.013 0.000 2.158 161 D HA -0.176 4.463 4.640 -0.000 0.000 0.197 161 D C 1.453 177.895 176.300 0.236 0.000 0.995 161 D CA 1.054 55.090 54.000 0.060 0.000 0.846 161 D CB -0.307 40.471 40.800 -0.036 0.000 0.941 161 D HN 0.699 nan 8.370 nan 0.000 0.456 162 W N 0.251 121.603 121.300 0.085 0.000 2.699 162 W HA 0.262 4.922 4.660 -0.000 0.000 0.249 162 W C 1.507 178.076 176.519 0.083 0.000 1.280 162 W CA 1.043 58.433 57.345 0.075 0.000 1.345 162 W CB -0.690 28.815 29.460 0.075 0.000 1.128 162 W HN 0.129 nan 8.180 nan 0.000 0.642 163 G N 0.246 109.240 108.800 0.323 0.000 2.137 163 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 163 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 163 G C 0.058 175.147 174.900 0.315 0.000 1.002 163 G CA 0.018 45.304 45.100 0.310 0.000 0.702 163 G HN 0.002 nan 8.290 nan 0.000 0.515 164 V N 0.646 120.718 119.914 0.264 0.000 2.740 164 V HA 0.206 4.325 4.120 -0.000 0.000 0.303 164 V C 1.086 177.303 176.094 0.204 0.000 1.054 164 V CA 0.965 63.382 62.300 0.195 0.000 1.106 164 V CB 1.280 33.187 31.823 0.140 0.000 0.957 164 V HN 0.384 nan 8.190 nan 0.000 0.486 165 D N 2.955 123.494 120.400 0.232 0.000 2.449 165 D HA 0.258 4.898 4.640 -0.000 0.000 0.210 165 D C 0.010 176.523 176.300 0.355 0.000 1.094 165 D CA 0.326 54.503 54.000 0.295 0.000 0.846 165 D CB 1.506 42.499 40.800 0.321 0.000 1.003 165 D HN 0.363 nan 8.370 nan 0.000 0.504 166 L N 0.841 122.222 121.223 0.263 0.000 2.505 166 L HA 0.438 4.778 4.340 -0.000 0.000 0.259 166 L C -2.255 174.653 176.870 0.065 0.000 0.952 166 L CA -0.895 54.063 54.840 0.197 0.000 0.840 166 L CB 2.673 44.879 42.059 0.245 0.000 1.358 166 L HN -0.236 nan 8.230 nan 0.000 0.409 167 L N 4.128 125.388 121.223 0.062 0.000 2.376 167 L HA 0.523 4.863 4.340 -0.000 0.000 0.275 167 L C -0.955 175.965 176.870 0.083 0.000 0.987 167 L CA -0.173 54.667 54.840 0.000 0.000 0.828 167 L CB 1.555 43.598 42.059 -0.026 0.000 1.249 167 L HN 0.609 nan 8.230 nan 0.000 0.409 168 K N 4.457 124.891 120.400 0.058 0.000 2.248 168 K HA 0.313 4.633 4.320 -0.000 0.000 0.281 168 K C -1.582 175.078 176.600 0.100 0.000 1.054 168 K CA -0.437 55.900 56.287 0.083 0.000 0.903 168 K CB 0.584 33.147 32.500 0.105 0.000 1.077 168 K HN 0.547 nan 8.250 nan 0.000 0.474 169 F N 4.797 124.707 119.950 -0.065 0.000 2.359 169 F HA 0.228 4.755 4.527 -0.000 0.000 0.370 169 F C -0.071 175.711 175.800 -0.030 0.000 1.077 169 F CA -1.322 56.637 58.000 -0.068 0.000 1.136 169 F CB 0.410 39.488 39.000 0.130 0.000 1.387 169 F HN 0.581 nan 8.300 nan 0.000 0.468 170 D N 2.115 122.285 120.400 -0.382 0.000 2.360 170 D HA 0.297 4.937 4.640 -0.000 0.000 0.242 170 D C 0.974 177.001 176.300 -0.455 0.000 1.184 170 D CA 0.257 54.100 54.000 -0.262 0.000 0.930 170 D CB 1.773 42.462 40.800 -0.185 0.000 1.161 170 D HN 0.685 nan 8.370 nan 0.000 0.447 171 G N 0.128 108.557 108.800 -0.620 0.000 3.453 171 G HA2 0.117 4.077 3.960 -0.000 0.000 0.263 171 G HA3 0.117 4.077 3.960 -0.000 0.000 0.263 171 G C 0.534 174.782 174.900 -1.086 0.000 1.060 171 G CA -0.113 44.434 45.100 -0.921 0.000 0.793 171 G HN 0.479 nan 8.290 nan 0.000 0.532 172 c N -0.257 117.884 118.600 -0.764 0.000 2.705 172 c HA 0.273 4.843 4.570 -0.000 0.000 0.382 172 c C 0.787 174.785 174.090 -0.154 0.000 1.322 172 c CA 0.149 56.247 56.329 -0.385 0.000 2.290 172 c CB -0.717 41.727 42.510 -0.110 0.000 2.650 172 c HN 0.684 nan 8.230 nan 0.000 0.695 173 Y N -1.215 119.014 120.300 -0.118 0.000 3.225 173 Y HA -0.232 4.318 4.550 -0.000 0.000 0.211 173 Y C 0.614 176.413 175.900 -0.169 0.000 1.223 173 Y CA 0.490 58.524 58.100 -0.110 0.000 1.284 173 Y CB -1.669 36.734 38.460 -0.095 0.000 1.367 173 Y HN 0.749 nan 8.280 nan 0.000 0.566 174 C N 2.218 121.457 119.300 -0.101 0.000 2.293 174 C HA 0.376 4.836 4.460 -0.000 0.000 0.323 174 C C 1.409 176.314 174.990 -0.142 0.000 1.240 174 C CA -0.353 58.572 59.018 -0.154 0.000 1.497 174 C CB -0.186 27.460 27.740 -0.156 0.000 2.171 174 C HN 0.585 nan 8.230 nan 0.000 0.465 175 D N 3.247 123.538 120.400 -0.182 0.000 2.317 175 D HA 0.031 4.671 4.640 -0.000 0.000 0.211 175 D C 0.675 176.858 176.300 -0.195 0.000 0.966 175 D CA 0.798 54.701 54.000 -0.161 0.000 0.876 175 D CB 0.081 40.788 40.800 -0.155 0.000 0.927 175 D HN 0.574 nan 8.370 nan 0.000 0.519 176 S N -0.893 114.686 115.700 -0.202 0.000 2.595 176 S HA 0.318 4.788 4.470 -0.000 0.000 0.281 176 S C 0.547 175.036 174.600 -0.186 0.000 1.117 176 S CA -0.975 57.100 58.200 -0.209 0.000 0.873 176 S CB 1.743 64.855 63.200 -0.145 0.000 1.108 176 S HN -0.002 nan 8.310 nan 0.000 0.477 177 L N 1.257 122.357 121.223 -0.205 0.000 2.083 177 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 177 L C 2.186 179.040 176.870 -0.026 0.000 1.083 177 L CA 2.660 57.439 54.840 -0.102 0.000 0.752 177 L CB -1.099 40.901 42.059 -0.098 0.000 0.899 177 L HN 1.124 nan 8.230 nan 0.000 0.433 178 E N -0.148 120.028 120.200 -0.041 0.000 2.047 178 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 178 E C 1.791 178.383 176.600 -0.014 0.000 0.987 178 E CA 1.280 57.671 56.400 -0.015 0.000 0.799 178 E CB 0.065 29.756 29.700 -0.015 0.000 0.752 178 E HN 0.452 nan 8.360 nan 0.000 0.449 179 N N 0.684 119.369 118.700 -0.025 0.000 2.205 179 N HA -0.168 4.571 4.740 -0.000 0.000 0.186 179 N C 1.745 177.233 175.510 -0.038 0.000 1.015 179 N CA 0.658 53.710 53.050 0.003 0.000 0.862 179 N CB -0.299 38.152 38.487 -0.060 0.000 0.986 179 N HN 0.184 nan 8.380 nan 0.000 0.429 180 L N 0.746 121.931 121.223 -0.063 0.000 1.976 180 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 180 L C 2.085 178.832 176.870 -0.204 0.000 1.071 180 L CA 1.780 56.573 54.840 -0.079 0.000 0.746 180 L CB -0.954 41.135 42.059 0.049 0.000 0.890 180 L HN 0.133 nan 8.230 nan 0.000 0.432 181 A N -0.657 122.086 122.820 -0.127 0.000 1.865 181 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 181 A C 2.007 179.375 177.584 -0.359 0.000 1.191 181 A CA 2.093 54.004 52.037 -0.210 0.000 0.623 181 A CB -1.060 18.025 19.000 0.141 0.000 0.826 181 A HN 0.564 nan 8.150 nan 0.000 0.444 182 D N -0.409 119.882 120.400 -0.182 0.000 2.123 182 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 182 D C 2.051 178.208 176.300 -0.238 0.000 0.992 182 D CA 1.507 55.414 54.000 -0.154 0.000 0.833 182 D CB -0.786 39.999 40.800 -0.025 0.000 0.954 182 D HN 0.455 nan 8.370 nan 0.000 0.455 183 G N -0.392 108.233 108.800 -0.291 0.000 2.404 183 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 183 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 183 G C 1.426 175.943 174.900 -0.638 0.000 1.174 183 G CA 0.429 45.174 45.100 -0.591 0.000 0.780 183 G HN 0.248 nan 8.290 nan 0.000 0.537 184 Y N 1.080 121.064 120.300 -0.526 0.000 2.224 184 Y HA -0.015 4.535 4.550 -0.000 0.000 0.289 184 Y C 2.898 178.562 175.900 -0.393 0.000 1.146 184 Y CA 1.499 59.335 58.100 -0.439 0.000 1.182 184 Y CB -0.010 37.823 38.460 -1.045 0.000 0.983 184 Y HN 0.128 nan 8.280 nan 0.000 0.524 185 K N -1.094 119.003 120.400 -0.505 0.000 2.025 185 K HA -0.215 4.104 4.320 -0.000 0.000 0.207 185 K C 1.930 178.368 176.600 -0.271 0.000 1.049 185 K CA 1.634 57.561 56.287 -0.600 0.000 0.933 185 K CB -0.466 31.557 32.500 -0.795 0.000 0.714 185 K HN 0.430 nan 8.250 nan 0.000 0.438 186 H N 0.398 119.242 119.070 -0.376 0.000 2.289 186 H HA -0.194 4.362 4.556 -0.000 0.000 0.296 186 H C 2.257 177.389 175.328 -0.327 0.000 1.091 186 H CA 2.133 57.988 56.048 -0.322 0.000 1.274 186 H CB 0.069 29.590 29.762 -0.401 0.000 1.364 186 H HN 0.031 nan 8.280 nan 0.000 0.490 187 M N -0.204 119.230 119.600 -0.276 0.000 2.117 187 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 187 M C 2.554 178.584 176.300 -0.450 0.000 1.065 187 M CA 1.829 56.908 55.300 -0.368 0.000 1.114 187 M CB -0.534 31.678 32.600 -0.647 0.000 1.361 187 M HN 0.225 nan 8.290 nan 0.000 0.408 188 S N -0.150 115.317 115.700 -0.387 0.000 2.359 188 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 188 S C 1.901 176.402 174.600 -0.164 0.000 1.035 188 S CA 1.708 59.684 58.200 -0.373 0.000 1.018 188 S CB -0.497 62.830 63.200 0.211 0.000 0.876 188 S HN 0.608 nan 8.310 nan 0.000 0.448 189 L N 0.927 122.117 121.223 -0.056 0.000 2.093 189 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 189 L C 2.948 179.771 176.870 -0.078 0.000 1.085 189 L CA 1.104 55.921 54.840 -0.040 0.000 0.755 189 L CB -0.694 41.342 42.059 -0.038 0.000 0.904 189 L HN 0.423 nan 8.230 nan 0.000 0.435 190 A N 0.302 123.069 122.820 -0.087 0.000 1.898 190 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 190 A C 2.248 179.779 177.584 -0.087 0.000 1.181 190 A CA 1.309 53.311 52.037 -0.057 0.000 0.620 190 A CB -0.656 18.354 19.000 0.017 0.000 0.819 190 A HN 0.342 nan 8.150 nan 0.000 0.442 191 L N -0.013 121.120 121.223 -0.151 0.000 2.046 191 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 191 L C 2.620 179.445 176.870 -0.075 0.000 1.077 191 L CA 1.494 56.256 54.840 -0.129 0.000 0.747 191 L CB -0.675 41.249 42.059 -0.224 0.000 0.896 191 L HN 0.551 nan 8.230 nan 0.000 0.432 192 N N 0.977 119.631 118.700 -0.075 0.000 2.104 192 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 192 N C 1.909 177.403 175.510 -0.027 0.000 1.024 192 N CA 1.431 54.460 53.050 -0.036 0.000 0.853 192 N CB 0.050 38.521 38.487 -0.027 0.000 1.008 192 N HN 0.330 nan 8.380 nan 0.000 0.424 193 R N -0.066 120.412 120.500 -0.035 0.000 2.280 193 R HA -0.029 4.311 4.340 -0.000 0.000 0.207 193 R C 2.076 178.361 176.300 -0.024 0.000 1.043 193 R CA 1.332 57.415 56.100 -0.029 0.000 1.006 193 R CB -0.246 30.033 30.300 -0.036 0.000 0.885 193 R HN 0.439 nan 8.270 nan 0.000 0.467 194 T N -3.019 111.520 114.554 -0.025 0.000 2.915 194 T HA 0.009 4.358 4.350 -0.000 0.000 0.269 194 T C 1.693 176.391 174.700 -0.002 0.000 1.071 194 T CA 1.074 63.165 62.100 -0.016 0.000 1.132 194 T CB 0.063 68.923 68.868 -0.013 0.000 0.878 194 T HN 0.398 nan 8.240 nan 0.000 0.479 195 G N 1.437 110.237 108.800 0.001 0.000 2.199 195 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.254 195 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.254 195 G C 0.190 175.102 174.900 0.020 0.000 0.982 195 G CA 0.216 45.322 45.100 0.009 0.000 0.632 195 G HN 0.887 nan 8.290 nan 0.000 0.529 196 R N 1.074 121.590 120.500 0.027 0.000 2.349 196 R HA 0.544 4.884 4.340 -0.000 0.000 0.299 196 R C 0.065 176.398 176.300 0.055 0.000 1.027 196 R CA -0.073 56.054 56.100 0.044 0.000 0.958 196 R CB 0.463 30.799 30.300 0.059 0.000 1.047 196 R HN 0.105 nan 8.270 nan 0.000 0.468 197 S N 5.245 120.985 115.700 0.066 0.000 2.457 197 S HA 0.165 4.634 4.470 -0.000 0.000 0.294 197 S C -0.107 174.568 174.600 0.124 0.000 1.201 197 S CA 0.085 58.339 58.200 0.090 0.000 1.112 197 S CB -0.192 63.065 63.200 0.095 0.000 1.018 197 S HN 0.420 nan 8.310 nan 0.000 0.511 198 I N 3.611 124.254 120.570 0.121 0.000 2.468 198 I HA 0.243 4.412 4.170 -0.000 0.000 0.285 198 I C -0.282 175.931 176.117 0.159 0.000 1.039 198 I CA -0.898 60.489 61.300 0.145 0.000 1.074 198 I CB 1.816 39.877 38.000 0.101 0.000 1.228 198 I HN 0.206 nan 8.210 nan 0.000 0.436 199 V N 6.204 126.232 119.914 0.191 0.000 2.585 199 V HA -0.077 4.043 4.120 -0.000 0.000 0.296 199 V C -0.580 175.621 176.094 0.178 0.000 1.035 199 V CA 0.277 62.673 62.300 0.160 0.000 1.084 199 V CB 0.231 32.101 31.823 0.077 0.000 0.953 199 V HN 0.452 nan 8.190 nan 0.000 0.483 200 Y N 4.644 124.937 120.300 -0.012 0.000 2.388 200 Y HA 0.495 5.045 4.550 -0.000 0.000 0.328 200 Y C 0.238 176.078 175.900 -0.101 0.000 0.963 200 Y CA -0.825 57.267 58.100 -0.013 0.000 1.240 200 Y CB 1.499 39.992 38.460 0.055 0.000 1.118 200 Y HN 0.609 nan 8.280 nan 0.000 0.484 201 S N 5.904 121.446 115.700 -0.264 0.000 2.429 201 S HA 0.675 5.145 4.470 -0.000 0.000 0.302 201 S C -1.016 173.469 174.600 -0.191 0.000 1.115 201 S CA -0.337 57.649 58.200 -0.357 0.000 1.095 201 S CB -0.226 62.864 63.200 -0.184 0.000 0.987 201 S HN 0.685 nan 8.310 nan 0.000 0.474 202 c N 4.244 122.783 118.600 -0.102 0.000 2.417 202 c HA 0.538 5.108 4.570 -0.000 0.000 0.324 202 c C 0.838 174.989 174.090 0.102 0.000 1.240 202 c CA -0.660 55.656 56.329 -0.022 0.000 1.632 202 c CB 1.045 43.464 42.510 -0.152 0.000 2.241 202 c HN 0.959 nan 8.230 nan 0.000 0.499 203 E N 0.633 120.934 120.200 0.168 0.000 2.419 203 E HA 0.034 4.384 4.350 -0.000 0.000 0.190 203 E C 1.187 177.928 176.600 0.235 0.000 1.040 203 E CA -0.176 56.386 56.400 0.269 0.000 0.900 203 E CB -0.042 29.916 29.700 0.430 0.000 1.054 203 E HN 0.821 nan 8.360 nan 0.000 0.462 204 W N 2.247 123.241 121.300 -0.509 0.000 2.301 204 W HA -0.171 4.489 4.660 -0.000 0.000 0.325 204 W C -1.127 175.233 176.519 -0.265 0.000 1.250 204 W CA 1.512 58.437 57.345 -0.700 0.000 1.261 204 W CB -1.743 27.070 29.460 -1.079 0.000 1.157 204 W HN 0.158 nan 8.180 nan 0.000 0.473 205 P HA -0.166 nan 4.420 nan 0.000 0.217 205 P C 2.030 179.288 177.300 -0.070 0.000 1.151 205 P CA 1.727 64.635 63.100 -0.321 0.000 0.828 205 P CB -0.507 30.973 31.700 -0.368 0.000 0.788 206 L N -0.987 120.271 121.223 0.058 0.000 2.012 206 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 206 L C 2.147 178.966 176.870 -0.084 0.000 1.073 206 L CA 2.002 56.842 54.840 -0.000 0.000 0.748 206 L CB -1.526 40.471 42.059 -0.104 0.000 0.891 206 L HN -0.106 nan 8.230 nan 0.000 0.431 207 Y N -1.829 118.554 120.300 0.139 0.000 2.544 207 Y HA 0.018 4.567 4.550 -0.000 0.000 0.286 207 Y C 2.298 178.358 175.900 0.265 0.000 1.141 207 Y CA 0.906 59.115 58.100 0.182 0.000 1.299 207 Y CB -0.106 38.469 38.460 0.192 0.000 1.030 207 Y HN 0.258 nan 8.280 nan 0.000 0.543 208 M N -1.829 117.954 119.600 0.305 0.000 2.412 208 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 208 M C 1.583 177.989 176.300 0.177 0.000 1.122 208 M CA 1.179 56.639 55.300 0.267 0.000 1.179 208 M CB -0.196 32.451 32.600 0.078 0.000 1.335 208 M HN 0.408 nan 8.290 nan 0.000 0.465 209 W N 1.943 123.218 121.300 -0.042 0.000 2.269 209 W HA -0.307 4.353 4.660 -0.000 0.000 0.336 209 W C -0.704 175.717 176.519 -0.164 0.000 1.333 209 W CA 1.923 59.202 57.345 -0.109 0.000 1.299 209 W CB -1.864 27.507 29.460 -0.149 0.000 1.126 209 W HN 0.260 nan 8.180 nan 0.000 0.474 210 P HA -0.222 nan 4.420 nan 0.000 0.216 210 P C 0.982 178.096 177.300 -0.312 0.000 1.150 210 P CA 2.021 64.920 63.100 -0.335 0.000 0.843 210 P CB -0.467 30.777 31.700 -0.759 0.000 0.787 211 F N -1.577 118.443 119.950 0.117 0.000 2.317 211 F HA 0.247 4.774 4.527 -0.000 0.000 0.290 211 F C 1.591 177.431 175.800 0.066 0.000 1.075 211 F CA 0.492 58.538 58.000 0.078 0.000 1.380 211 F CB -0.258 38.776 39.000 0.058 0.000 1.093 211 F HN -0.149 nan 8.300 nan 0.000 0.524 212 Q N 1.229 121.166 119.800 0.228 0.000 2.295 212 Q HA 0.190 4.530 4.340 -0.000 0.000 0.268 212 Q C -1.172 174.775 176.000 -0.087 0.000 1.010 212 Q CA -0.694 55.160 55.803 0.085 0.000 0.856 212 Q CB 2.796 31.576 28.738 0.070 0.000 1.349 212 Q HN 0.317 nan 8.270 nan 0.000 0.412 213 K N 2.325 122.631 120.400 -0.156 0.000 2.368 213 K HA 0.408 4.728 4.320 -0.000 0.000 0.282 213 K C -2.428 173.784 176.600 -0.646 0.000 1.035 213 K CA -1.251 54.721 56.287 -0.525 0.000 0.973 213 K CB 0.132 32.485 32.500 -0.245 0.000 0.957 213 K HN 0.090 nan 8.250 nan 0.000 0.474 214 P HA -0.029 nan 4.420 nan 0.000 0.269 214 P C -0.974 175.811 177.300 -0.859 0.000 1.209 214 P CA -0.309 62.152 63.100 -1.065 0.000 0.776 214 P CB 0.440 31.169 31.700 -1.618 0.000 0.876 215 N N 1.938 120.181 118.700 -0.761 0.000 2.462 215 N HA 0.082 4.822 4.740 -0.000 0.000 0.242 215 N C 0.122 175.209 175.510 -0.705 0.000 1.010 215 N CA -0.074 52.647 53.050 -0.548 0.000 0.939 215 N CB 0.007 38.277 38.487 -0.363 0.000 1.127 215 N HN 0.280 nan 8.380 nan 0.000 0.509 216 Y N 1.653 121.666 120.300 -0.479 0.000 2.395 216 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 216 Y C 2.231 177.822 175.900 -0.516 0.000 1.123 216 Y CA 0.985 58.734 58.100 -0.585 0.000 1.227 216 Y CB 0.043 38.245 38.460 -0.429 0.000 1.012 216 Y HN 0.459 nan 8.280 nan 0.000 0.552 217 T N -0.395 114.032 114.554 -0.212 0.000 2.746 217 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 217 T C 1.773 176.339 174.700 -0.224 0.000 1.039 217 T CA 1.640 63.630 62.100 -0.183 0.000 1.142 217 T CB -0.152 68.644 68.868 -0.121 0.000 0.866 217 T HN 0.446 nan 8.240 nan 0.000 0.444 218 E N 0.588 120.630 120.200 -0.264 0.000 2.028 218 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 218 E C 2.208 178.676 176.600 -0.220 0.000 0.988 218 E CA 0.911 57.204 56.400 -0.178 0.000 0.799 218 E CB -0.202 29.384 29.700 -0.190 0.000 0.755 218 E HN 0.459 nan 8.360 nan 0.000 0.447 219 I N 0.927 121.090 120.570 -0.678 0.000 2.163 219 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 219 I C 2.930 178.783 176.117 -0.438 0.000 1.085 219 I CA 1.426 62.239 61.300 -0.813 0.000 1.347 219 I CB -0.371 36.841 38.000 -1.314 0.000 1.044 219 I HN 0.136 nan 8.210 nan 0.000 0.408 220 R N 0.932 121.072 120.500 -0.599 0.000 2.105 220 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 220 R C 2.329 178.582 176.300 -0.078 0.000 1.135 220 R CA 1.921 57.841 56.100 -0.300 0.000 0.967 220 R CB -0.345 29.824 30.300 -0.219 0.000 0.861 220 R HN 0.428 nan 8.270 nan 0.000 0.442 221 Q N -0.758 118.943 119.800 -0.165 0.000 2.197 221 Q HA -0.212 4.127 4.340 -0.000 0.000 0.207 221 Q C 0.716 176.504 176.000 -0.353 0.000 0.984 221 Q CA 1.802 57.428 55.803 -0.296 0.000 0.869 221 Q CB 0.046 28.512 28.738 -0.454 0.000 0.906 221 Q HN 0.533 nan 8.270 nan 0.000 0.426 222 Y N -2.025 118.368 120.300 0.155 0.000 2.462 222 Y HA 0.242 4.792 4.550 -0.000 0.000 0.253 222 Y C 0.386 176.532 175.900 0.410 0.000 1.095 222 Y CA -0.555 57.719 58.100 0.290 0.000 1.283 222 Y CB 0.920 39.633 38.460 0.422 0.000 1.138 222 Y HN 0.027 nan 8.280 nan 0.000 0.522 223 c N -0.007 118.858 118.600 0.443 0.000 2.563 223 c HA 0.246 4.816 4.570 -0.000 0.000 0.314 223 c C 1.239 175.563 174.090 0.390 0.000 1.199 223 c CA -0.940 55.628 56.329 0.398 0.000 1.564 223 c CB 1.282 43.996 42.510 0.340 0.000 2.173 223 c HN 0.462 nan 8.230 nan 0.000 0.485 224 N N -0.260 118.585 118.700 0.242 0.000 2.250 224 N HA 0.021 4.761 4.740 -0.000 0.000 0.181 224 N C -0.153 175.468 175.510 0.185 0.000 1.017 224 N CA 0.885 54.047 53.050 0.186 0.000 0.866 224 N CB 0.135 38.711 38.487 0.149 0.000 0.985 224 N HN 0.888 nan 8.380 nan 0.000 0.429 225 H N -2.831 116.337 119.070 0.163 0.000 2.990 225 H HA 0.528 5.083 4.556 -0.000 0.000 0.336 225 H C -1.816 173.589 175.328 0.129 0.000 1.306 225 H CA -1.439 54.556 56.048 -0.089 0.000 1.118 225 H CB 0.415 30.161 29.762 -0.025 0.000 1.856 225 H HN 0.111 nan 8.280 nan 0.000 0.538 226 W N -0.199 121.238 121.300 0.230 0.000 3.259 226 W HA 0.604 5.263 4.660 -0.000 0.000 0.331 226 W C -1.303 175.282 176.519 0.111 0.000 1.144 226 W CA -1.236 56.171 57.345 0.103 0.000 1.227 226 W CB 1.217 30.696 29.460 0.031 0.000 1.371 226 W HN 0.392 nan 8.180 nan 0.000 0.491 227 R N 3.022 123.681 120.500 0.264 0.000 2.316 227 R HA 0.153 4.493 4.340 -0.000 0.000 0.314 227 R C 0.403 176.769 176.300 0.110 0.000 1.069 227 R CA -0.102 56.100 56.100 0.170 0.000 0.959 227 R CB 0.859 31.265 30.300 0.177 0.000 0.987 227 R HN 0.677 nan 8.270 nan 0.000 0.446 228 N N 1.855 120.515 118.700 -0.067 0.000 2.415 228 N HA 0.074 4.814 4.740 -0.000 0.000 0.174 228 N C -0.144 175.001 175.510 -0.609 0.000 1.048 228 N CA 0.771 53.584 53.050 -0.395 0.000 0.895 228 N CB 0.422 38.357 38.487 -0.919 0.000 1.036 228 N HN 0.324 nan 8.380 nan 0.000 0.449 229 F N 0.046 119.992 119.950 -0.007 0.000 2.640 229 F HA 0.615 5.142 4.527 -0.000 0.000 0.324 229 F C 0.356 176.059 175.800 -0.163 0.000 1.077 229 F CA -1.575 56.262 58.000 -0.272 0.000 0.965 229 F CB 0.895 39.744 39.000 -0.251 0.000 1.351 229 F HN -0.247 nan 8.300 nan 0.000 0.487 230 A N 0.465 123.245 122.820 -0.067 0.000 2.507 230 A HA 0.131 4.451 4.320 -0.000 0.000 0.235 230 A C -0.569 177.155 177.584 0.233 0.000 1.070 230 A CA -0.438 51.642 52.037 0.072 0.000 0.768 230 A CB -0.223 18.857 19.000 0.133 0.000 1.011 230 A HN 0.658 nan 8.150 nan 0.000 0.502 231 D N 0.599 121.122 120.400 0.205 0.000 2.583 231 D HA 0.065 4.705 4.640 -0.000 0.000 0.232 231 D C 0.438 176.898 176.300 0.266 0.000 1.128 231 D CA 0.627 54.777 54.000 0.250 0.000 0.859 231 D CB 0.144 41.106 40.800 0.271 0.000 1.169 231 D HN 0.484 nan 8.370 nan 0.000 0.481 232 I N 1.906 122.641 120.570 0.275 0.000 2.892 232 I HA -0.044 4.126 4.170 -0.000 0.000 0.287 232 I C 0.458 176.680 176.117 0.174 0.000 1.205 232 I CA 0.215 61.654 61.300 0.233 0.000 1.409 232 I CB 0.474 38.617 38.000 0.240 0.000 1.367 232 I HN 0.452 nan 8.210 nan 0.000 0.597 233 D N 3.901 124.374 120.400 0.121 0.000 2.758 233 D HA 0.202 4.842 4.640 -0.000 0.000 0.279 233 D C -1.001 175.331 176.300 0.054 0.000 1.111 233 D CA -0.553 53.495 54.000 0.081 0.000 1.109 233 D CB 0.366 41.210 40.800 0.072 0.000 1.428 233 D HN 0.263 nan 8.370 nan 0.000 0.586 234 D N -0.481 119.947 120.400 0.046 0.000 2.845 234 D HA 0.287 4.927 4.640 -0.000 0.000 0.235 234 D C -0.935 175.403 176.300 0.063 0.000 1.158 234 D CA 0.006 54.037 54.000 0.051 0.000 0.990 234 D CB -0.796 40.052 40.800 0.081 0.000 1.094 234 D HN 0.457 nan 8.370 nan 0.000 0.486 235 S N 0.164 115.902 115.700 0.063 0.000 2.537 235 S HA 0.165 4.635 4.470 -0.000 0.000 0.270 235 S C 0.695 175.370 174.600 0.125 0.000 1.142 235 S CA -1.051 57.201 58.200 0.087 0.000 0.870 235 S CB 0.653 63.886 63.200 0.054 0.000 1.112 235 S HN 0.370 nan 8.310 nan 0.000 0.466 236 W N 3.592 124.865 121.300 -0.044 0.000 2.358 236 W HA -0.127 4.533 4.660 -0.000 0.000 0.303 236 W C 1.648 178.129 176.519 -0.064 0.000 1.208 236 W CA 1.667 58.976 57.345 -0.060 0.000 1.274 236 W CB -0.177 29.248 29.460 -0.058 0.000 1.138 236 W HN 0.996 nan 8.180 nan 0.000 0.515 237 K N 0.685 120.964 120.400 -0.202 0.000 2.059 237 K HA -0.299 4.021 4.320 -0.000 0.000 0.212 237 K C 2.343 178.739 176.600 -0.340 0.000 1.050 237 K CA 2.324 58.415 56.287 -0.328 0.000 0.927 237 K CB -0.665 31.741 32.500 -0.157 0.000 0.714 237 K HN 0.068 nan 8.250 nan 0.000 0.447 238 S N 0.187 115.776 115.700 -0.185 0.000 2.356 238 S HA -0.101 4.369 4.470 -0.000 0.000 0.223 238 S C 1.970 176.490 174.600 -0.134 0.000 1.032 238 S CA 1.150 59.279 58.200 -0.118 0.000 1.005 238 S CB -0.239 62.964 63.200 0.004 0.000 0.867 238 S HN 0.323 nan 8.310 nan 0.000 0.449 239 I N 1.948 122.440 120.570 -0.131 0.000 2.163 239 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 239 I C 2.434 178.389 176.117 -0.269 0.000 1.085 239 I CA 1.602 62.850 61.300 -0.087 0.000 1.347 239 I CB -1.398 36.594 38.000 -0.013 0.000 1.044 239 I HN 0.387 nan 8.210 nan 0.000 0.408 240 K N 0.898 120.907 120.400 -0.652 0.000 2.032 240 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 240 K C 2.291 178.584 176.600 -0.511 0.000 1.048 240 K CA 2.121 57.994 56.287 -0.690 0.000 0.927 240 K CB -0.256 31.697 32.500 -0.911 0.000 0.712 240 K HN 0.440 nan 8.250 nan 0.000 0.441 241 S N 1.090 116.432 115.700 -0.597 0.000 2.382 241 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 241 S C 2.052 176.073 174.600 -0.965 0.000 1.027 241 S CA 0.948 58.588 58.200 -0.935 0.000 0.991 241 S CB -0.518 62.010 63.200 -1.121 0.000 0.823 241 S HN 0.213 nan 8.310 nan 0.000 0.469 242 I N 1.324 121.661 120.570 -0.389 0.000 2.252 242 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 242 I C 2.502 178.607 176.117 -0.019 0.000 1.102 242 I CA 1.126 62.448 61.300 0.036 0.000 1.385 242 I CB -0.406 37.768 38.000 0.290 0.000 1.064 242 I HN 0.287 nan 8.210 nan 0.000 0.414 243 L N 0.259 121.459 121.223 -0.039 0.000 2.017 243 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 243 L C 2.189 179.139 176.870 0.135 0.000 1.073 243 L CA 1.366 56.242 54.840 0.061 0.000 0.745 243 L CB -0.720 41.344 42.059 0.010 0.000 0.894 243 L HN 0.261 nan 8.230 nan 0.000 0.432 244 D N -0.905 119.448 120.400 -0.078 0.000 2.144 244 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 244 D C 2.022 178.283 176.300 -0.065 0.000 0.984 244 D CA 0.943 54.883 54.000 -0.100 0.000 0.834 244 D CB -0.143 40.484 40.800 -0.289 0.000 0.955 244 D HN 0.335 nan 8.370 nan 0.000 0.465 245 W N 1.398 122.508 121.300 -0.316 0.000 2.358 245 W HA -0.080 4.580 4.660 -0.000 0.000 0.303 245 W C 2.367 178.677 176.519 -0.348 0.000 1.208 245 W CA 1.012 57.987 57.345 -0.617 0.000 1.274 245 W CB -1.258 27.275 29.460 -1.545 0.000 1.138 245 W HN -0.001 nan 8.180 nan 0.000 0.515 246 T N 0.292 114.899 114.554 0.088 0.000 2.708 246 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 246 T C 2.066 176.939 174.700 0.289 0.000 1.037 246 T CA 2.429 64.742 62.100 0.355 0.000 1.146 246 T CB -0.570 68.532 68.868 0.390 0.000 0.865 246 T HN 0.183 nan 8.240 nan 0.000 0.435 247 S N 1.114 116.955 115.700 0.234 0.000 2.387 247 S HA -0.040 4.430 4.470 -0.000 0.000 0.226 247 S C 1.845 176.493 174.600 0.081 0.000 1.026 247 S CA 0.496 58.715 58.200 0.033 0.000 0.972 247 S CB -0.874 62.268 63.200 -0.096 0.000 0.814 247 S HN 0.400 nan 8.310 nan 0.000 0.477 248 F N 3.172 123.136 119.950 0.023 0.000 2.234 248 F HA 0.133 4.660 4.527 -0.000 0.000 0.299 248 F C 1.690 177.530 175.800 0.066 0.000 1.087 248 F CA 1.125 59.141 58.000 0.027 0.000 1.340 248 F CB -0.196 38.820 39.000 0.027 0.000 1.031 248 F HN 0.207 nan 8.300 nan 0.000 0.500 249 N N 0.484 119.325 118.700 0.235 0.000 2.235 249 N HA -0.030 4.710 4.740 -0.000 0.000 0.209 249 N C 1.576 177.165 175.510 0.133 0.000 1.122 249 N CA 0.397 53.576 53.050 0.215 0.000 0.845 249 N CB -0.064 38.686 38.487 0.438 0.000 1.004 249 N HN 0.608 nan 8.380 nan 0.000 0.499 250 Q N 0.647 120.486 119.800 0.065 0.000 2.224 250 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 250 Q C 1.038 177.034 176.000 -0.006 0.000 0.970 250 Q CA 1.093 56.922 55.803 0.044 0.000 0.865 250 Q CB -0.115 28.632 28.738 0.016 0.000 0.922 250 Q HN 0.267 nan 8.270 nan 0.000 0.445 251 E N 0.737 120.914 120.200 -0.038 0.000 2.160 251 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 251 E C 2.009 178.593 176.600 -0.027 0.000 0.991 251 E CA 0.985 57.356 56.400 -0.049 0.000 0.810 251 E CB 0.097 29.759 29.700 -0.063 0.000 0.742 251 E HN 0.426 nan 8.360 nan 0.000 0.466 252 R N -0.019 120.481 120.500 -0.000 0.000 2.140 252 R HA 0.059 4.399 4.340 -0.000 0.000 0.213 252 R C 2.404 178.603 176.300 -0.167 0.000 1.059 252 R CA 0.827 56.923 56.100 -0.007 0.000 1.000 252 R CB 0.149 30.522 30.300 0.122 0.000 0.910 252 R HN 0.266 nan 8.270 nan 0.000 0.455 253 I N -4.050 116.424 120.570 -0.161 0.000 4.139 253 I HA 0.136 4.306 4.170 -0.000 0.000 0.320 253 I C 1.432 177.504 176.117 -0.075 0.000 1.290 253 I CA 0.120 61.247 61.300 -0.287 0.000 1.253 253 I CB 0.279 38.137 38.000 -0.236 0.000 1.122 253 I HN -0.227 nan 8.210 nan 0.000 0.421 254 V N 2.431 122.344 119.914 -0.000 0.000 2.307 254 V HA -0.197 3.922 4.120 -0.000 0.000 0.245 254 V C 2.058 178.186 176.094 0.056 0.000 1.045 254 V CA 2.394 64.733 62.300 0.066 0.000 1.024 254 V CB -0.672 31.210 31.823 0.098 0.000 0.651 254 V HN 0.442 nan 8.190 nan 0.000 0.449 255 D N -0.637 119.773 120.400 0.016 0.000 2.269 255 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 255 D C 1.991 178.299 176.300 0.014 0.000 0.963 255 D CA 0.918 54.926 54.000 0.013 0.000 0.864 255 D CB 0.128 40.922 40.800 -0.010 0.000 0.936 255 D HN 0.351 nan 8.370 nan 0.000 0.505 256 V N 0.802 120.727 119.914 0.018 0.000 2.548 256 V HA 0.034 4.154 4.120 -0.000 0.000 0.249 256 V C 0.956 177.114 176.094 0.106 0.000 1.055 256 V CA 0.785 63.115 62.300 0.050 0.000 1.065 256 V CB -0.328 31.522 31.823 0.045 0.000 0.681 256 V HN 0.117 nan 8.190 nan 0.000 0.462 257 A N -0.404 122.484 122.820 0.114 0.000 2.483 257 A HA 0.593 4.913 4.320 -0.000 0.000 0.238 257 A C 0.526 178.037 177.584 -0.121 0.000 1.070 257 A CA 0.749 52.804 52.037 0.030 0.000 0.770 257 A CB -0.286 18.785 19.000 0.117 0.000 1.008 257 A HN 1.176 nan 8.150 nan 0.000 0.497 258 G N 0.737 109.228 108.800 -0.515 0.000 2.316 258 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 258 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 258 G C -3.528 170.716 174.900 -1.095 0.000 1.399 258 G CA -0.811 43.956 45.100 -0.555 0.000 0.833 258 G HN 0.484 nan 8.290 nan 0.000 0.565 259 P HA 0.260 nan 4.420 nan 0.000 0.257 259 P C 1.104 178.210 177.300 -0.323 0.000 1.162 259 P CA 2.372 65.311 63.100 -0.267 0.000 0.762 259 P CB 0.620 32.316 31.700 -0.007 0.000 0.753 260 G N 2.361 111.004 108.800 -0.261 0.000 2.195 260 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.246 260 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.246 260 G C 0.336 175.100 174.900 -0.225 0.000 0.984 260 G CA -0.278 44.746 45.100 -0.127 0.000 0.633 260 G HN 0.943 nan 8.290 nan 0.000 0.525 261 G N -0.778 107.612 108.800 -0.683 0.000 2.513 261 G HA2 0.522 4.482 3.960 -0.000 0.000 0.282 261 G HA3 0.522 4.482 3.960 -0.000 0.000 0.282 261 G C -0.858 173.486 174.900 -0.925 0.000 1.397 261 G CA -0.444 44.405 45.100 -0.418 0.000 1.291 261 G HN 0.525 nan 8.290 nan 0.000 0.596 262 W N 1.255 122.149 121.300 -0.676 0.000 2.844 262 W HA 0.475 5.135 4.660 -0.000 0.000 0.340 262 W C 0.083 175.835 176.519 -1.278 0.000 1.093 262 W CA -1.168 55.758 57.345 -0.698 0.000 1.212 262 W CB 1.578 30.823 29.460 -0.359 0.000 1.422 262 W HN 0.252 nan 8.180 nan 0.000 0.515 263 N N 2.254 120.624 118.700 -0.550 0.000 2.497 263 N HA -0.005 4.735 4.740 -0.000 0.000 0.268 263 N C -1.076 174.271 175.510 -0.270 0.000 1.171 263 N CA 0.370 53.133 53.050 -0.477 0.000 0.948 263 N CB 0.904 39.334 38.487 -0.096 0.000 1.069 263 N HN 0.404 nan 8.380 nan 0.000 0.460 264 D N 2.218 122.500 120.400 -0.197 0.000 2.441 264 D HA 0.265 4.905 4.640 -0.000 0.000 0.231 264 D C -2.006 174.312 176.300 0.029 0.000 1.073 264 D CA -2.049 51.925 54.000 -0.043 0.000 0.850 264 D CB 1.474 42.328 40.800 0.091 0.000 1.062 264 D HN 0.242 nan 8.370 nan 0.000 0.524 265 P HA 0.198 nan 4.420 nan 0.000 0.257 265 P C -0.483 177.008 177.300 0.319 0.000 1.325 265 P CA -0.077 63.047 63.100 0.040 0.000 0.850 265 P CB 0.366 31.760 31.700 -0.510 0.000 1.324 266 D N -1.405 119.203 120.400 0.347 0.000 7.802 266 D HA -0.115 4.525 4.640 -0.000 0.000 0.328 266 D C -0.238 176.376 176.300 0.523 0.000 2.652 266 D CA 0.042 54.287 54.000 0.407 0.000 1.867 266 D CB -0.910 40.111 40.800 0.369 0.000 1.152 266 D HN -0.104 nan 8.370 nan 0.000 1.176 267 M N 0.536 120.348 119.600 0.355 0.000 2.245 267 M HA 0.196 4.676 4.480 -0.000 0.000 0.330 267 M C 0.282 176.646 176.300 0.107 0.000 1.098 267 M CA 0.113 55.568 55.300 0.258 0.000 1.172 267 M CB 0.235 32.923 32.600 0.147 0.000 1.467 267 M HN 0.203 nan 8.290 nan 0.000 0.454 268 L N 2.749 123.971 121.223 -0.002 0.000 2.360 268 L HA 0.097 4.437 4.340 -0.000 0.000 0.276 268 L C 0.785 177.566 176.870 -0.148 0.000 1.121 268 L CA -0.508 54.205 54.840 -0.211 0.000 0.845 268 L CB 0.419 42.392 42.059 -0.143 0.000 1.143 268 L HN 0.670 nan 8.230 nan 0.000 0.452 269 V N 1.409 121.211 119.914 -0.186 0.000 3.271 269 V HA 0.281 4.401 4.120 -0.000 0.000 0.327 269 V C 0.714 176.730 176.094 -0.130 0.000 1.389 269 V CA -0.348 61.876 62.300 -0.127 0.000 1.156 269 V CB -0.563 31.210 31.823 -0.083 0.000 1.103 269 V HN 0.503 nan 8.190 nan 0.000 0.453 270 I N 2.682 123.168 120.570 -0.139 0.000 2.648 270 I HA 0.504 4.674 4.170 -0.000 0.000 0.284 270 I C 1.528 177.598 176.117 -0.078 0.000 1.153 270 I CA 1.588 62.827 61.300 -0.101 0.000 1.426 270 I CB 0.504 38.456 38.000 -0.081 0.000 1.381 270 I HN 0.484 nan 8.210 nan 0.000 0.571 271 G N 3.571 112.325 108.800 -0.077 0.000 2.179 271 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 271 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 271 G C 0.366 175.109 174.900 -0.262 0.000 0.990 271 G CA -0.244 44.800 45.100 -0.094 0.000 0.646 271 G HN 0.574 nan 8.290 nan 0.000 0.517 272 N N -0.553 117.946 118.700 -0.334 0.000 2.725 272 N HA 0.667 5.407 4.740 -0.000 0.000 0.285 272 N C 0.972 176.044 175.510 -0.731 0.000 1.353 272 N CA 0.478 53.115 53.050 -0.689 0.000 0.805 272 N CB -0.206 38.073 38.487 -0.347 0.000 1.114 272 N HN 0.096 nan 8.380 nan 0.000 0.441 273 F N -1.113 118.822 119.950 -0.024 0.000 2.747 273 F HA 0.394 4.921 4.527 -0.000 0.000 0.305 273 F C 1.960 177.754 175.800 -0.010 0.000 1.065 273 F CA -0.233 57.755 58.000 -0.019 0.000 1.230 273 F CB -0.026 38.953 39.000 -0.035 0.000 1.027 273 F HN 0.414 nan 8.300 nan 0.000 0.607 274 G N 0.528 109.418 108.800 0.149 0.000 3.020 274 G HA2 0.294 4.254 3.960 -0.000 0.000 0.217 274 G HA3 0.294 4.254 3.960 -0.000 0.000 0.217 274 G C 0.351 175.294 174.900 0.071 0.000 1.144 274 G CA 0.058 45.221 45.100 0.106 0.000 0.760 274 G HN 0.033 nan 8.290 nan 0.000 0.548 275 L N 2.162 123.407 121.223 0.037 0.000 2.317 275 L HA 0.413 4.753 4.340 -0.000 0.000 0.281 275 L C 0.724 177.584 176.870 -0.017 0.000 1.024 275 L CA -0.817 54.026 54.840 0.005 0.000 0.810 275 L CB 1.903 43.947 42.059 -0.024 0.000 1.240 275 L HN 0.147 nan 8.230 nan 0.000 0.427 276 S N 1.784 117.447 115.700 -0.062 0.000 2.589 276 S HA -0.013 4.457 4.470 -0.000 0.000 0.265 276 S C 1.055 175.645 174.600 -0.017 0.000 1.342 276 S CA -0.574 57.602 58.200 -0.040 0.000 1.005 276 S CB 0.741 63.879 63.200 -0.103 0.000 0.909 276 S HN 0.904 nan 8.310 nan 0.000 0.555 277 W N 2.598 123.840 121.300 -0.097 0.000 2.318 277 W HA -0.260 4.400 4.660 -0.000 0.000 0.313 277 W C 1.454 177.909 176.519 -0.106 0.000 1.221 277 W CA 2.025 59.319 57.345 -0.086 0.000 1.266 277 W CB -0.795 28.625 29.460 -0.066 0.000 1.150 277 W HN 0.752 nan 8.180 nan 0.000 0.496 278 N N 0.586 119.055 118.700 -0.384 0.000 2.166 278 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 278 N C 1.740 176.949 175.510 -0.502 0.000 1.019 278 N CA 1.886 54.631 53.050 -0.508 0.000 0.856 278 N CB -0.572 37.745 38.487 -0.283 0.000 0.993 278 N HN 0.486 nan 8.380 nan 0.000 0.426 279 Q N 0.740 120.264 119.800 -0.459 0.000 2.172 279 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 279 Q C 1.971 177.813 176.000 -0.263 0.000 0.964 279 Q CA 0.931 56.484 55.803 -0.417 0.000 0.855 279 Q CB 0.022 28.526 28.738 -0.389 0.000 0.918 279 Q HN 0.434 nan 8.270 nan 0.000 0.444 280 Q N -0.289 119.329 119.800 -0.303 0.000 2.124 280 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 280 Q C 2.173 177.942 176.000 -0.384 0.000 0.977 280 Q CA 1.354 56.981 55.803 -0.293 0.000 0.850 280 Q CB 0.014 28.616 28.738 -0.226 0.000 0.901 280 Q HN 0.216 nan 8.270 nan 0.000 0.429 281 V N 0.530 120.090 119.914 -0.589 0.000 2.343 281 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 281 V C 2.167 178.083 176.094 -0.297 0.000 1.051 281 V CA 2.147 64.127 62.300 -0.533 0.000 1.036 281 V CB -0.780 30.616 31.823 -0.712 0.000 0.654 281 V HN 0.433 nan 8.190 nan 0.000 0.451 282 T N -0.756 113.645 114.554 -0.255 0.000 2.720 282 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 282 T C 1.904 176.554 174.700 -0.083 0.000 1.037 282 T CA 2.027 64.054 62.100 -0.123 0.000 1.144 282 T CB -0.227 68.626 68.868 -0.024 0.000 0.864 282 T HN 0.546 nan 8.240 nan 0.000 0.444 283 Q N -0.201 119.508 119.800 -0.151 0.000 2.079 283 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 283 Q C 2.321 178.191 176.000 -0.216 0.000 0.974 283 Q CA 1.340 56.964 55.803 -0.299 0.000 0.840 283 Q CB -0.168 28.234 28.738 -0.561 0.000 0.898 283 Q HN 0.370 nan 8.270 nan 0.000 0.430 284 M N 0.291 119.782 119.600 -0.182 0.000 2.086 284 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 284 M C 1.951 178.251 176.300 -0.001 0.000 1.067 284 M CA 1.964 57.214 55.300 -0.083 0.000 1.116 284 M CB -0.522 32.028 32.600 -0.083 0.000 1.348 284 M HN 0.264 nan 8.290 nan 0.000 0.407 285 A N 0.014 122.810 122.820 -0.040 0.000 1.883 285 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 285 A C 2.075 179.653 177.584 -0.010 0.000 1.186 285 A CA 1.658 53.677 52.037 -0.030 0.000 0.624 285 A CB -1.029 17.930 19.000 -0.068 0.000 0.822 285 A HN 0.522 nan 8.150 nan 0.000 0.444 286 L N -1.855 119.370 121.223 0.003 0.000 2.131 286 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 286 L C 2.415 179.349 176.870 0.107 0.000 1.087 286 L CA 1.059 55.864 54.840 -0.058 0.000 0.767 286 L CB -1.383 40.558 42.059 -0.196 0.000 0.917 286 L HN 0.660 nan 8.230 nan 0.000 0.441 287 W N 0.002 121.224 121.300 -0.129 0.000 2.392 287 W HA -0.186 4.474 4.660 -0.000 0.000 0.279 287 W C 2.361 178.824 176.519 -0.094 0.000 1.225 287 W CA 0.707 58.000 57.345 -0.086 0.000 1.233 287 W CB 0.071 29.496 29.460 -0.058 0.000 1.122 287 W HN 0.197 nan 8.180 nan 0.000 0.561 288 A N 0.231 123.119 122.820 0.113 0.000 1.872 288 A HA -0.153 4.166 4.320 -0.000 0.000 0.214 288 A C 1.776 179.356 177.584 -0.006 0.000 1.187 288 A CA 1.092 53.141 52.037 0.019 0.000 0.614 288 A CB -0.846 18.163 19.000 0.014 0.000 0.826 288 A HN 0.044 nan 8.150 nan 0.000 0.442 289 I N -0.069 120.503 120.570 0.004 0.000 2.208 289 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 289 I C 2.297 178.441 176.117 0.045 0.000 1.097 289 I CA 1.626 62.943 61.300 0.027 0.000 1.363 289 I CB -1.114 36.906 38.000 0.034 0.000 1.051 289 I HN 0.373 nan 8.210 nan 0.000 0.413 290 M N 0.127 119.725 119.600 -0.003 0.000 2.659 290 M HA 0.120 4.600 4.480 -0.000 0.000 0.243 290 M C 0.954 177.237 176.300 -0.029 0.000 1.111 290 M CA 0.396 55.695 55.300 -0.003 0.000 1.070 290 M CB -0.173 32.342 32.600 -0.141 0.000 1.525 290 M HN 0.287 nan 8.290 nan 0.000 0.517 291 A N 1.296 124.076 122.820 -0.067 0.000 2.560 291 A HA -0.076 4.244 4.320 -0.000 0.000 0.299 291 A C 0.430 177.843 177.584 -0.285 0.000 1.484 291 A CA 0.601 52.532 52.037 -0.177 0.000 0.749 291 A CB -1.985 16.997 19.000 -0.031 0.000 1.072 291 A HN 0.645 nan 8.150 nan 0.000 0.426 292 A N 0.448 123.108 122.820 -0.267 0.000 2.304 292 A HA 0.761 5.081 4.320 -0.000 0.000 0.301 292 A C -1.960 175.426 177.584 -0.331 0.000 1.132 292 A CA -1.676 50.188 52.037 -0.288 0.000 0.819 292 A CB 0.302 19.078 19.000 -0.373 0.000 1.094 292 A HN 0.394 nan 8.150 nan 0.000 0.492 293 P HA 0.211 nan 4.420 nan 0.000 0.269 293 P C -0.914 176.249 177.300 -0.229 0.000 1.209 293 P CA 0.274 63.104 63.100 -0.450 0.000 0.776 293 P CB 0.341 31.736 31.700 -0.510 0.000 0.876 294 L N 3.636 124.640 121.223 -0.364 0.000 2.371 294 L HA 0.388 4.728 4.340 -0.000 0.000 0.262 294 L C -0.448 176.345 176.870 -0.127 0.000 1.054 294 L CA -0.296 54.493 54.840 -0.084 0.000 0.924 294 L CB -0.332 41.712 42.059 -0.025 0.000 1.295 294 L HN 0.292 nan 8.230 nan 0.000 0.441 295 F N 2.351 122.407 119.950 0.177 0.000 2.334 295 F HA 0.415 4.942 4.527 -0.000 0.000 0.367 295 F C 0.721 176.558 175.800 0.062 0.000 1.115 295 F CA -0.586 57.508 58.000 0.156 0.000 1.116 295 F CB 1.111 40.179 39.000 0.113 0.000 1.230 295 F HN 0.318 nan 8.300 nan 0.000 0.484 296 M N 2.375 122.076 119.600 0.168 0.000 2.239 296 M HA 0.077 4.557 4.480 -0.000 0.000 0.348 296 M C 0.338 176.473 176.300 -0.276 0.000 1.239 296 M CA 0.469 55.737 55.300 -0.054 0.000 1.114 296 M CB 0.636 33.142 32.600 -0.157 0.000 1.641 296 M HN 0.434 nan 8.290 nan 0.000 0.453 297 S N 3.712 119.260 115.700 -0.253 0.000 2.622 297 S HA 0.518 4.987 4.470 -0.000 0.000 0.283 297 S C -1.088 173.400 174.600 -0.186 0.000 1.197 297 S CA -0.784 57.187 58.200 -0.382 0.000 1.146 297 S CB -0.063 63.005 63.200 -0.220 0.000 1.007 297 S HN 0.858 nan 8.310 nan 0.000 0.478 298 N N 1.799 120.481 118.700 -0.030 0.000 3.277 298 N HA 0.371 5.111 4.740 -0.000 0.000 0.278 298 N C -2.072 173.704 175.510 0.444 0.000 1.544 298 N CA -0.804 52.310 53.050 0.107 0.000 0.869 298 N CB 0.451 38.944 38.487 0.010 0.000 1.584 298 N HN 0.174 nan 8.380 nan 0.000 0.564 299 D N 0.221 120.782 120.400 0.268 0.000 2.454 299 D HA 0.322 4.962 4.640 -0.000 0.000 0.225 299 D C 0.714 177.130 176.300 0.192 0.000 1.081 299 D CA -0.422 53.808 54.000 0.384 0.000 0.864 299 D CB 0.475 41.483 40.800 0.347 0.000 1.040 299 D HN 0.599 nan 8.370 nan 0.000 0.517 300 L N 2.939 124.206 121.223 0.073 0.000 2.353 300 L HA -0.077 4.262 4.340 -0.000 0.000 0.220 300 L C 2.159 179.021 176.870 -0.013 0.000 1.133 300 L CA 0.728 55.535 54.840 -0.055 0.000 0.798 300 L CB -0.064 41.813 42.059 -0.303 0.000 0.922 300 L HN 0.236 nan 8.230 nan 0.000 0.445 301 R N -1.160 119.301 120.500 -0.065 0.000 2.193 301 R HA 0.032 4.372 4.340 -0.000 0.000 0.213 301 R C 0.092 176.085 176.300 -0.511 0.000 1.055 301 R CA 0.640 56.577 56.100 -0.272 0.000 0.995 301 R CB 0.077 30.182 30.300 -0.325 0.000 0.893 301 R HN 0.389 nan 8.270 nan 0.000 0.459 302 H N -0.341 118.776 119.070 0.077 0.000 2.808 302 H HA 0.316 4.872 4.556 -0.000 0.000 0.268 302 H C -1.229 174.122 175.328 0.039 0.000 1.306 302 H CA -0.396 55.689 56.048 0.062 0.000 1.565 302 H CB 0.686 30.491 29.762 0.071 0.000 1.632 302 H HN 0.037 nan 8.280 nan 0.000 0.525 303 I N 2.205 122.847 120.570 0.120 0.000 2.569 303 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 303 I C 0.065 176.234 176.117 0.087 0.000 1.088 303 I CA -0.559 60.800 61.300 0.098 0.000 1.047 303 I CB 1.622 39.714 38.000 0.152 0.000 1.237 303 I HN 0.411 nan 8.210 nan 0.000 0.421 304 S N 6.500 122.235 115.700 0.059 0.000 2.568 304 S HA 0.261 4.731 4.470 -0.000 0.000 0.282 304 S C -1.927 172.700 174.600 0.045 0.000 1.338 304 S CA -0.683 57.542 58.200 0.042 0.000 1.045 304 S CB 0.755 63.970 63.200 0.025 0.000 0.873 304 S HN 0.530 nan 8.310 nan 0.000 0.516 305 P HA -0.159 nan 4.420 nan 0.000 0.216 305 P C 1.298 178.598 177.300 -0.001 0.000 1.150 305 P CA 1.403 64.500 63.100 -0.005 0.000 0.843 305 P CB -0.021 31.660 31.700 -0.031 0.000 0.787 306 Q N -0.473 119.318 119.800 -0.015 0.000 2.046 306 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 306 Q C 2.326 178.424 176.000 0.164 0.000 0.975 306 Q CA 1.928 57.722 55.803 -0.015 0.000 0.836 306 Q CB -1.460 27.175 28.738 -0.171 0.000 0.896 306 Q HN 0.181 nan 8.270 nan 0.000 0.428 307 A N 1.168 124.089 122.820 0.168 0.000 1.902 307 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 307 A C 2.052 179.756 177.584 0.201 0.000 1.181 307 A CA 1.695 53.850 52.037 0.196 0.000 0.623 307 A CB -0.516 18.562 19.000 0.131 0.000 0.818 307 A HN 0.281 nan 8.150 nan 0.000 0.443 308 K N -0.219 120.285 120.400 0.173 0.000 2.026 308 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 308 K C 2.167 178.772 176.600 0.010 0.000 1.048 308 K CA 1.334 57.703 56.287 0.136 0.000 0.929 308 K CB -0.368 32.151 32.500 0.033 0.000 0.713 308 K HN 0.340 nan 8.250 nan 0.000 0.439 309 A N 1.436 124.269 122.820 0.021 0.000 1.933 309 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 309 A C 2.059 179.696 177.584 0.088 0.000 1.175 309 A CA 1.434 53.483 52.037 0.020 0.000 0.628 309 A CB -0.571 18.442 19.000 0.021 0.000 0.814 309 A HN 0.429 nan 8.150 nan 0.000 0.444 310 L N -0.376 120.944 121.223 0.163 0.000 2.027 310 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 310 L C 2.185 179.141 176.870 0.143 0.000 1.074 310 L CA 1.682 56.622 54.840 0.167 0.000 0.745 310 L CB -0.510 41.665 42.059 0.193 0.000 0.898 310 L HN 0.360 nan 8.230 nan 0.000 0.433 311 L N -0.792 120.545 121.223 0.189 0.000 2.191 311 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 311 L C 2.018 179.103 176.870 0.359 0.000 1.103 311 L CA 1.070 56.084 54.840 0.290 0.000 0.769 311 L CB -0.382 41.917 42.059 0.401 0.000 0.908 311 L HN 0.451 nan 8.230 nan 0.000 0.438 312 Q N -1.122 118.788 119.800 0.182 0.000 2.220 312 Q HA 0.029 4.369 4.340 -0.000 0.000 0.205 312 Q C -0.076 175.969 176.000 0.075 0.000 0.865 312 Q CA -0.280 55.592 55.803 0.115 0.000 0.960 312 Q CB 0.352 29.015 28.738 -0.126 0.000 1.097 312 Q HN 0.226 nan 8.270 nan 0.000 0.493 313 D N 1.944 122.399 120.400 0.090 0.000 2.368 313 D HA -0.054 4.586 4.640 -0.000 0.000 0.268 313 D C 0.773 177.100 176.300 0.044 0.000 1.298 313 D CA 0.512 54.548 54.000 0.061 0.000 0.938 313 D CB 0.769 41.610 40.800 0.068 0.000 1.101 313 D HN 0.060 nan 8.370 nan 0.000 0.509 314 K N 3.067 123.483 120.400 0.026 0.000 2.020 314 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 314 K C 0.917 177.523 176.600 0.009 0.000 1.050 314 K CA 1.356 57.651 56.287 0.013 0.000 0.929 314 K CB 0.240 32.743 32.500 0.006 0.000 0.714 314 K HN 0.433 nan 8.250 nan 0.000 0.443 315 D N -0.053 120.356 120.400 0.016 0.000 2.178 315 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 315 D C 1.905 178.214 176.300 0.014 0.000 0.974 315 D CA 0.862 54.872 54.000 0.016 0.000 0.841 315 D CB -0.007 40.808 40.800 0.025 0.000 0.953 315 D HN 0.054 nan 8.370 nan 0.000 0.478 316 V N 0.957 120.882 119.914 0.018 0.000 2.407 316 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 316 V C 2.516 178.610 176.094 0.000 0.000 1.041 316 V CA 0.677 62.986 62.300 0.015 0.000 1.040 316 V CB -0.220 31.618 31.823 0.025 0.000 0.671 316 V HN 0.125 nan 8.190 nan 0.000 0.455 317 I N 0.960 121.529 120.570 -0.001 0.000 2.208 317 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 317 I C 2.665 178.747 176.117 -0.057 0.000 1.097 317 I CA 1.644 62.920 61.300 -0.040 0.000 1.363 317 I CB -0.546 37.425 38.000 -0.049 0.000 1.051 317 I HN 0.297 nan 8.210 nan 0.000 0.413 318 A N 0.802 123.601 122.820 -0.035 0.000 1.933 318 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 318 A C 2.289 179.851 177.584 -0.037 0.000 1.175 318 A CA 1.439 53.456 52.037 -0.034 0.000 0.628 318 A CB -0.742 18.248 19.000 -0.016 0.000 0.814 318 A HN 0.393 nan 8.150 nan 0.000 0.444 319 I N 0.017 120.570 120.570 -0.027 0.000 2.142 319 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 319 I C 2.558 178.641 176.117 -0.056 0.000 1.078 319 I CA 1.535 62.818 61.300 -0.028 0.000 1.343 319 I CB -0.467 37.528 38.000 -0.008 0.000 1.046 319 I HN 0.502 nan 8.210 nan 0.000 0.405 320 N N 0.894 119.551 118.700 -0.072 0.000 2.137 320 N HA -0.228 4.511 4.740 -0.000 0.000 0.190 320 N C 1.493 176.886 175.510 -0.195 0.000 1.017 320 N CA 1.387 54.360 53.050 -0.127 0.000 0.859 320 N CB 0.080 38.494 38.487 -0.121 0.000 1.002 320 N HN 0.394 nan 8.380 nan 0.000 0.428 321 Q N 0.924 120.632 119.800 -0.154 0.000 2.280 321 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 321 Q C -0.630 175.317 176.000 -0.088 0.000 0.903 321 Q CA -0.129 55.581 55.803 -0.154 0.000 0.948 321 Q CB -0.487 28.175 28.738 -0.126 0.000 1.058 321 Q HN 0.388 nan 8.270 nan 0.000 0.493 322 D N 2.421 122.779 120.400 -0.069 0.000 2.520 322 D HA -0.069 4.571 4.640 -0.000 0.000 0.243 322 D C -1.156 175.148 176.300 0.007 0.000 1.160 322 D CA -0.824 53.158 54.000 -0.030 0.000 0.877 322 D CB 1.045 41.825 40.800 -0.033 0.000 1.150 322 D HN -0.012 nan 8.370 nan 0.000 0.494 323 P HA -0.176 nan 4.420 nan 0.000 0.219 323 P C 1.501 178.847 177.300 0.076 0.000 1.146 323 P CA 0.396 63.528 63.100 0.053 0.000 0.808 323 P CB 0.167 31.887 31.700 0.034 0.000 0.779 324 L N 0.239 121.491 121.223 0.048 0.000 2.131 324 L HA 0.087 4.427 4.340 -0.000 0.000 0.210 324 L C 1.537 178.468 176.870 0.102 0.000 1.092 324 L CA 1.961 56.828 54.840 0.045 0.000 0.759 324 L CB -1.536 40.520 42.059 -0.006 0.000 0.903 324 L HN 0.241 nan 8.230 nan 0.000 0.435 325 G N 0.296 109.199 108.800 0.172 0.000 2.273 325 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.280 325 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.280 325 G C 0.334 175.405 174.900 0.284 0.000 1.047 325 G CA 0.576 45.907 45.100 0.385 0.000 0.869 325 G HN 0.443 nan 8.290 nan 0.000 0.502 326 K N 0.192 120.680 120.400 0.146 0.000 2.253 326 K HA 0.313 4.633 4.320 -0.000 0.000 0.277 326 K C 0.652 177.333 176.600 0.135 0.000 1.053 326 K CA -0.476 55.877 56.287 0.110 0.000 0.892 326 K CB 1.127 33.646 32.500 0.031 0.000 1.102 326 K HN 0.483 nan 8.250 nan 0.000 0.469 327 Q N 1.771 121.680 119.800 0.181 0.000 2.364 327 Q HA 0.121 4.461 4.340 -0.000 0.000 0.267 327 Q C 0.185 176.307 176.000 0.203 0.000 0.999 327 Q CA -0.141 55.773 55.803 0.185 0.000 0.886 327 Q CB 0.796 29.650 28.738 0.194 0.000 1.243 327 Q HN 0.767 nan 8.270 nan 0.000 0.415 328 G N 1.922 110.823 108.800 0.168 0.000 2.588 328 G HA2 0.411 4.371 3.960 -0.000 0.000 0.278 328 G HA3 0.411 4.371 3.960 -0.000 0.000 0.278 328 G C -1.304 173.753 174.900 0.261 0.000 1.307 328 G CA -0.116 45.057 45.100 0.122 0.000 1.016 328 G HN 0.760 nan 8.290 nan 0.000 0.503 329 Y N -3.740 116.695 120.300 0.224 0.000 2.656 329 Y HA 0.537 5.087 4.550 -0.000 0.000 0.334 329 Y C -0.491 175.250 175.900 -0.264 0.000 1.179 329 Y CA -1.431 56.672 58.100 0.005 0.000 1.050 329 Y CB 1.042 39.490 38.460 -0.020 0.000 1.308 329 Y HN 0.563 nan 8.280 nan 0.000 0.456 330 Q N 1.881 121.266 119.800 -0.691 0.000 2.293 330 Q HA 0.235 4.575 4.340 -0.000 0.000 0.263 330 Q C -0.162 175.711 176.000 -0.212 0.000 1.002 330 Q CA -0.258 54.949 55.803 -0.994 0.000 0.910 330 Q CB 1.247 29.241 28.738 -1.240 0.000 1.185 330 Q HN 0.908 nan 8.270 nan 0.000 0.401 331 L N 4.535 125.695 121.223 -0.105 0.000 2.168 331 L HA 0.237 4.576 4.340 -0.000 0.000 0.203 331 L C 0.043 176.915 176.870 0.003 0.000 1.078 331 L CA 1.294 56.176 54.840 0.069 0.000 0.780 331 L CB 0.335 42.450 42.059 0.093 0.000 0.939 331 L HN 0.535 nan 8.230 nan 0.000 0.451 332 R N -0.553 119.932 120.500 -0.026 0.000 2.740 332 R HA 0.521 4.861 4.340 -0.000 0.000 0.273 332 R C -1.359 174.949 176.300 0.013 0.000 0.998 332 R CA -0.591 55.518 56.100 0.015 0.000 0.900 332 R CB 1.942 32.287 30.300 0.074 0.000 1.223 332 R HN 0.101 nan 8.270 nan 0.000 0.466 333 Q N 0.576 120.400 119.800 0.039 0.000 2.284 333 Q HA 0.588 4.928 4.340 -0.000 0.000 0.269 333 Q C -1.551 174.499 176.000 0.084 0.000 1.026 333 Q CA -0.630 55.209 55.803 0.059 0.000 0.831 333 Q CB 2.666 31.423 28.738 0.031 0.000 1.322 333 Q HN 0.900 nan 8.270 nan 0.000 0.419 334 G N 2.027 110.898 108.800 0.117 0.000 2.386 334 G HA2 0.282 4.241 3.960 -0.000 0.000 0.302 334 G HA3 0.282 4.241 3.960 -0.000 0.000 0.302 334 G C -0.927 174.087 174.900 0.190 0.000 1.629 334 G CA -0.058 45.120 45.100 0.130 0.000 0.917 334 G HN 0.711 nan 8.290 nan 0.000 0.676 335 D N 0.267 120.744 120.400 0.128 0.000 2.772 335 D HA -0.228 4.412 4.640 -0.000 0.000 0.233 335 D C 0.819 177.075 176.300 -0.074 0.000 1.143 335 D CA 1.904 55.969 54.000 0.108 0.000 0.700 335 D CB -1.392 39.566 40.800 0.264 0.000 1.076 335 D HN 1.116 nan 8.370 nan 0.000 0.430 336 N N -1.743 116.901 118.700 -0.093 0.000 2.741 336 N HA -0.248 4.492 4.740 -0.000 0.000 0.250 336 N C -0.611 174.684 175.510 -0.359 0.000 1.115 336 N CA 1.069 53.995 53.050 -0.207 0.000 0.724 336 N CB -0.970 37.362 38.487 -0.257 0.000 1.090 336 N HN 0.368 nan 8.380 nan 0.000 0.558 337 F N 0.598 120.529 119.950 -0.032 0.000 2.507 337 F HA 0.521 5.048 4.527 -0.000 0.000 0.327 337 F C 0.611 176.356 175.800 -0.091 0.000 1.068 337 F CA -0.694 57.226 58.000 -0.134 0.000 0.965 337 F CB 1.442 40.217 39.000 -0.376 0.000 1.192 337 F HN -0.153 nan 8.300 nan 0.000 0.476 338 E N 0.908 121.197 120.200 0.147 0.000 2.266 338 E HA 0.584 4.934 4.350 -0.000 0.000 0.268 338 E C -1.572 175.118 176.600 0.151 0.000 0.879 338 E CA -0.916 55.592 56.400 0.179 0.000 0.762 338 E CB 3.018 32.946 29.700 0.380 0.000 1.199 338 E HN 0.221 nan 8.360 nan 0.000 0.422 339 V N 2.638 122.625 119.914 0.121 0.000 2.409 339 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 339 V C -1.106 175.094 176.094 0.178 0.000 1.020 339 V CA -0.791 61.594 62.300 0.142 0.000 0.848 339 V CB 0.483 32.352 31.823 0.077 0.000 0.990 339 V HN 0.595 nan 8.190 nan 0.000 0.430 340 W N 2.822 124.109 121.300 -0.021 0.000 2.706 340 W HA 0.771 5.431 4.660 -0.000 0.000 0.346 340 W C 0.136 176.594 176.519 -0.101 0.000 1.071 340 W CA -0.727 56.586 57.345 -0.054 0.000 1.206 340 W CB 1.383 30.825 29.460 -0.029 0.000 1.413 340 W HN 0.683 nan 8.180 nan 0.000 0.542 341 E N 0.922 121.099 120.200 -0.039 0.000 2.408 341 E HA 0.762 5.112 4.350 -0.000 0.000 0.275 341 E C -1.463 175.044 176.600 -0.156 0.000 0.935 341 E CA -1.454 54.923 56.400 -0.040 0.000 0.775 341 E CB 2.902 32.614 29.700 0.020 0.000 1.277 341 E HN 0.459 nan 8.360 nan 0.000 0.455 342 R N 1.547 122.099 120.500 0.087 0.000 2.533 342 R HA 0.386 4.725 4.340 -0.000 0.000 0.288 342 R C -2.816 173.394 176.300 -0.150 0.000 1.039 342 R CA -1.996 54.100 56.100 -0.007 0.000 0.909 342 R CB 2.125 32.428 30.300 0.005 0.000 1.195 342 R HN 0.420 nan 8.270 nan 0.000 0.438 343 P HA 0.204 nan 4.420 nan 0.000 0.280 343 P C -0.810 176.173 177.300 -0.528 0.000 1.244 343 P CA -0.151 62.267 63.100 -1.137 0.000 0.784 343 P CB 1.175 32.246 31.700 -1.049 0.000 0.913 344 L N 0.849 121.776 121.223 -0.494 0.000 2.256 344 L HA 0.439 4.779 4.340 -0.000 0.000 0.261 344 L C 0.964 177.731 176.870 -0.171 0.000 1.022 344 L CA -1.175 53.532 54.840 -0.223 0.000 0.828 344 L CB 1.127 43.111 42.059 -0.124 0.000 1.374 344 L HN 0.248 nan 8.230 nan 0.000 0.436 345 S N 0.172 115.822 115.700 -0.084 0.000 2.563 345 S HA 0.224 4.694 4.470 -0.000 0.000 0.284 345 S C 0.814 175.397 174.600 -0.030 0.000 1.331 345 S CA 0.688 58.861 58.200 -0.045 0.000 1.047 345 S CB 0.566 63.755 63.200 -0.018 0.000 0.859 345 S HN 1.007 nan 8.310 nan 0.000 0.514 346 G N 1.863 110.657 108.800 -0.010 0.000 2.305 346 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.287 346 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.287 346 G C 0.403 175.326 174.900 0.040 0.000 1.036 346 G CA 0.192 45.303 45.100 0.017 0.000 0.887 346 G HN 1.146 nan 8.290 nan 0.000 0.505 347 L N -4.118 117.123 121.223 0.030 0.000 4.291 347 L HA -0.222 4.118 4.340 -0.000 0.000 0.413 347 L C 1.336 178.307 176.870 0.168 0.000 1.162 347 L CA 0.801 55.701 54.840 0.101 0.000 0.961 347 L CB -2.061 40.080 42.059 0.137 0.000 2.095 347 L HN 1.448 nan 8.230 nan 0.000 0.838 348 A N -1.177 121.684 122.820 0.069 0.000 2.269 348 A HA 0.742 5.062 4.320 -0.000 0.000 0.319 348 A C -0.809 176.801 177.584 0.043 0.000 1.110 348 A CA -0.100 52.019 52.037 0.137 0.000 0.847 348 A CB 0.603 19.652 19.000 0.081 0.000 1.161 348 A HN 0.267 nan 8.150 nan 0.000 0.497 349 W N -0.924 120.405 121.300 0.049 0.000 3.032 349 W HA 0.601 5.261 4.660 -0.000 0.000 0.335 349 W C -0.061 176.471 176.519 0.022 0.000 1.154 349 W CA -0.033 57.334 57.345 0.037 0.000 1.204 349 W CB 2.098 31.582 29.460 0.040 0.000 1.416 349 W HN 0.898 nan 8.180 nan 0.000 0.521 350 A N 1.756 124.713 122.820 0.228 0.000 2.312 350 A HA 0.886 5.206 4.320 -0.000 0.000 0.326 350 A C -1.370 176.310 177.584 0.161 0.000 1.172 350 A CA -0.639 51.485 52.037 0.145 0.000 0.821 350 A CB 0.969 20.014 19.000 0.076 0.000 1.166 350 A HN 0.470 nan 8.150 nan 0.000 0.493 351 V N 1.272 121.250 119.914 0.106 0.000 2.577 351 V HA 0.681 4.801 4.120 -0.000 0.000 0.303 351 V C 0.127 176.261 176.094 0.066 0.000 1.042 351 V CA -0.301 62.051 62.300 0.088 0.000 0.872 351 V CB 1.500 33.354 31.823 0.051 0.000 0.998 351 V HN 1.276 nan 8.190 nan 0.000 0.423 352 A N 6.386 129.260 122.820 0.090 0.000 2.342 352 A HA 0.966 5.286 4.320 -0.000 0.000 0.323 352 A C -0.613 177.020 177.584 0.081 0.000 1.125 352 A CA -0.602 51.469 52.037 0.056 0.000 0.785 352 A CB 1.213 20.212 19.000 -0.002 0.000 1.221 352 A HN 0.815 nan 8.150 nan 0.000 0.463 353 M N 3.579 123.200 119.600 0.035 0.000 2.142 353 M HA 0.435 4.915 4.480 -0.000 0.000 0.299 353 M C -1.173 175.144 176.300 0.029 0.000 0.960 353 M CA 0.120 55.424 55.300 0.008 0.000 0.920 353 M CB 1.435 34.011 32.600 -0.041 0.000 1.541 353 M HN 0.524 nan 8.290 nan 0.000 0.429 354 I N 2.358 122.969 120.570 0.069 0.000 2.412 354 I HA 0.352 4.522 4.170 -0.000 0.000 0.296 354 I C -0.034 176.163 176.117 0.134 0.000 0.987 354 I CA -0.793 60.559 61.300 0.086 0.000 1.180 354 I CB 1.546 39.607 38.000 0.102 0.000 1.340 354 I HN 0.592 nan 8.210 nan 0.000 0.455 355 N N 5.338 124.092 118.700 0.090 0.000 2.439 355 N HA 0.214 4.954 4.740 -0.000 0.000 0.249 355 N C 0.415 175.908 175.510 -0.028 0.000 1.003 355 N CA -0.321 52.721 53.050 -0.014 0.000 0.942 355 N CB 0.912 39.402 38.487 0.004 0.000 1.115 355 N HN 0.397 nan 8.380 nan 0.000 0.505 356 R N 1.684 122.148 120.500 -0.059 0.000 2.317 356 R HA 0.056 4.395 4.340 -0.000 0.000 0.208 356 R C 0.026 176.324 176.300 -0.003 0.000 0.914 356 R CA 0.016 56.144 56.100 0.047 0.000 1.060 356 R CB -0.013 30.314 30.300 0.045 0.000 1.015 356 R HN 0.640 nan 8.270 nan 0.000 0.498 357 Q N 1.528 121.260 119.800 -0.113 0.000 2.295 357 Q HA 0.027 4.367 4.340 -0.000 0.000 0.259 357 Q C -0.467 175.503 176.000 -0.051 0.000 0.976 357 Q CA 0.260 56.003 55.803 -0.100 0.000 0.923 357 Q CB 0.654 29.287 28.738 -0.176 0.000 1.185 357 Q HN 0.137 nan 8.270 nan 0.000 0.410 358 E N 4.882 125.075 120.200 -0.012 0.000 2.405 358 E HA 0.250 4.600 4.350 -0.000 0.000 0.214 358 E C -0.549 176.041 176.600 -0.017 0.000 1.101 358 E CA -0.036 56.361 56.400 -0.004 0.000 1.254 358 E CB 0.358 30.094 29.700 0.060 0.000 1.240 358 E HN 0.523 nan 8.360 nan 0.000 0.439 359 I N -1.178 119.376 120.570 -0.027 0.000 3.093 359 I HA 0.488 4.658 4.170 -0.000 0.000 0.308 359 I C 0.136 176.242 176.117 -0.019 0.000 1.303 359 I CA -0.147 61.142 61.300 -0.020 0.000 0.975 359 I CB 1.683 39.674 38.000 -0.014 0.000 1.286 359 I HN 0.301 nan 8.210 nan 0.000 0.459 360 G N 2.825 111.620 108.800 -0.009 0.000 2.562 360 G HA2 0.054 4.014 3.960 -0.000 0.000 0.250 360 G HA3 0.054 4.014 3.960 -0.000 0.000 0.250 360 G C -0.088 174.815 174.900 0.005 0.000 1.269 360 G CA -0.107 44.994 45.100 0.001 0.000 0.919 360 G HN 1.326 nan 8.290 nan 0.000 0.574 361 G N -0.876 107.938 108.800 0.022 0.000 3.175 361 G HA2 0.789 4.748 3.960 -0.000 0.000 0.255 361 G HA3 0.789 4.748 3.960 -0.000 0.000 0.255 361 G C -2.966 171.972 174.900 0.063 0.000 1.352 361 G CA -0.478 44.644 45.100 0.036 0.000 1.037 361 G HN 0.705 nan 8.290 nan 0.000 0.556 362 P HA 0.173 nan 4.420 nan 0.000 0.263 362 P C -0.382 177.047 177.300 0.215 0.000 1.195 362 P CA 0.414 63.605 63.100 0.152 0.000 0.762 362 P CB 0.407 32.204 31.700 0.161 0.000 0.799 363 R N 1.700 122.331 120.500 0.220 0.000 2.532 363 R HA 0.467 4.807 4.340 -0.000 0.000 0.295 363 R C 0.194 176.599 176.300 0.174 0.000 0.968 363 R CA -0.770 55.477 56.100 0.245 0.000 0.916 363 R CB 1.645 32.121 30.300 0.293 0.000 1.124 363 R HN 0.371 nan 8.270 nan 0.000 0.463 364 S N 2.046 117.729 115.700 -0.027 0.000 2.523 364 S HA 0.179 4.649 4.470 -0.000 0.000 0.275 364 S C -1.191 173.304 174.600 -0.174 0.000 1.281 364 S CA -0.291 57.701 58.200 -0.347 0.000 1.050 364 S CB 0.324 63.275 63.200 -0.415 0.000 0.937 364 S HN 0.482 nan 8.310 nan 0.000 0.492 365 Y N 3.549 123.575 120.300 -0.457 0.000 2.406 365 Y HA 0.532 5.082 4.550 -0.000 0.000 0.340 365 Y C -0.205 175.473 175.900 -0.370 0.000 0.975 365 Y CA -0.447 57.270 58.100 -0.638 0.000 1.056 365 Y CB 1.868 39.694 38.460 -1.057 0.000 1.210 365 Y HN 0.802 nan 8.280 nan 0.000 0.448 366 T N 5.356 119.314 114.554 -0.994 0.000 2.893 366 T HA 0.758 5.108 4.350 -0.000 0.000 0.291 366 T C -1.375 172.822 174.700 -0.839 0.000 1.028 366 T CA -0.689 61.002 62.100 -0.682 0.000 0.995 366 T CB 1.640 70.285 68.868 -0.371 0.000 1.051 366 T HN 0.769 nan 8.240 nan 0.000 0.470 367 I N 1.498 121.786 120.570 -0.469 0.000 2.752 367 I HA 0.667 4.836 4.170 -0.000 0.000 0.295 367 I C -0.410 175.586 176.117 -0.202 0.000 1.219 367 I CA -1.244 59.867 61.300 -0.315 0.000 1.030 367 I CB 1.931 39.826 38.000 -0.175 0.000 1.259 367 I HN 1.088 nan 8.210 nan 0.000 0.423 368 A N 5.267 127.976 122.820 -0.186 0.000 2.488 368 A HA 0.302 4.622 4.320 -0.000 0.000 0.249 368 A C 1.128 178.599 177.584 -0.189 0.000 1.083 368 A CA 0.182 52.106 52.037 -0.189 0.000 0.768 368 A CB 0.509 19.374 19.000 -0.225 0.000 1.017 368 A HN 1.054 nan 8.150 nan 0.000 0.496 369 V N 0.663 120.476 119.914 -0.168 0.000 2.720 369 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 369 V C 2.087 178.070 176.094 -0.184 0.000 1.082 369 V CA 2.122 64.336 62.300 -0.144 0.000 1.101 369 V CB -1.447 30.342 31.823 -0.056 0.000 0.693 369 V HN 1.020 nan 8.190 nan 0.000 0.479 370 A N 0.345 122.941 122.820 -0.374 0.000 2.067 370 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 370 A C 2.355 179.773 177.584 -0.277 0.000 1.158 370 A CA 1.867 53.532 52.037 -0.621 0.000 0.661 370 A CB -0.678 17.529 19.000 -1.321 0.000 0.801 370 A HN 0.580 nan 8.150 nan 0.000 0.452 371 S N -0.675 114.897 115.700 -0.215 0.000 2.527 371 S HA 0.236 4.706 4.470 -0.000 0.000 0.222 371 S C 0.590 175.117 174.600 -0.123 0.000 0.985 371 S CA 0.005 58.126 58.200 -0.131 0.000 0.921 371 S CB -0.258 62.875 63.200 -0.111 0.000 0.772 371 S HN 0.458 nan 8.310 nan 0.000 0.529 372 L N 0.510 121.635 121.223 -0.164 0.000 2.379 372 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 372 L C 1.333 177.928 176.870 -0.458 0.000 1.084 372 L CA -0.436 54.258 54.840 -0.243 0.000 0.802 372 L CB 0.313 42.248 42.059 -0.206 0.000 1.175 372 L HN 0.279 nan 8.230 nan 0.000 0.448 373 G N 1.254 109.524 108.800 -0.883 0.000 2.379 373 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.297 373 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.297 373 G C 0.658 174.985 174.900 -0.956 0.000 1.004 373 G CA 0.918 44.784 45.100 -2.058 0.000 0.921 373 G HN 0.830 nan 8.290 nan 0.000 0.511 374 K N -2.731 117.430 120.400 -0.399 0.000 3.209 374 K HA -0.248 4.072 4.320 -0.000 0.000 0.289 374 K C 1.702 178.308 176.600 0.010 0.000 1.191 374 K CA 1.335 57.582 56.287 -0.066 0.000 0.851 374 K CB -1.594 30.963 32.500 0.094 0.000 1.242 374 K HN 2.224 nan 8.250 nan 0.000 0.480 375 G N -0.845 107.960 108.800 0.009 0.000 2.176 375 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.253 375 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.253 375 G C 0.531 175.561 174.900 0.217 0.000 0.979 375 G CA 0.596 45.851 45.100 0.258 0.000 0.641 375 G HN 0.650 nan 8.290 nan 0.000 0.530 376 V N -2.840 117.114 119.914 0.068 0.000 3.379 376 V HA 0.658 4.778 4.120 -0.000 0.000 0.249 376 V C 2.736 178.888 176.094 0.097 0.000 1.184 376 V CA 1.275 63.622 62.300 0.078 0.000 1.106 376 V CB -0.472 31.434 31.823 0.139 0.000 0.826 376 V HN 1.202 nan 8.190 nan 0.000 0.465 377 A N -0.014 122.780 122.820 -0.043 0.000 1.927 377 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 377 A C 1.851 179.507 177.584 0.120 0.000 1.185 377 A CA 2.478 54.506 52.037 -0.015 0.000 0.639 377 A CB -1.018 17.747 19.000 -0.391 0.000 0.820 377 A HN 0.710 nan 8.150 nan 0.000 0.451 378 c N -0.458 118.236 118.600 0.156 0.000 2.741 378 c HA 0.370 4.940 4.570 -0.000 0.000 0.267 378 c C 0.356 174.655 174.090 0.349 0.000 1.549 378 c CA -0.848 55.624 56.329 0.239 0.000 1.772 378 c CB -1.913 40.719 42.510 0.204 0.000 2.962 378 c HN 0.607 nan 8.230 nan 0.000 0.514 379 N N 1.717 120.536 118.700 0.198 0.000 2.446 379 N HA 0.261 5.001 4.740 -0.000 0.000 0.265 379 N C -1.614 173.875 175.510 -0.035 0.000 0.975 379 N CA -1.244 51.780 53.050 -0.043 0.000 0.928 379 N CB 2.035 40.236 38.487 -0.475 0.000 1.160 379 N HN 0.080 nan 8.380 nan 0.000 0.495 380 P HA 0.129 nan 4.420 nan 0.000 0.227 380 P C -0.493 176.901 177.300 0.157 0.000 1.161 380 P CA 0.567 63.675 63.100 0.014 0.000 0.788 380 P CB 0.511 32.209 31.700 -0.003 0.000 0.822 381 A N -0.913 122.013 122.820 0.176 0.000 2.599 381 A HA 0.655 4.974 4.320 -0.000 0.000 0.290 381 A C -1.233 176.518 177.584 0.279 0.000 1.101 381 A CA -0.250 51.933 52.037 0.244 0.000 0.674 381 A CB 1.049 20.177 19.000 0.213 0.000 1.277 381 A HN 0.281 nan 8.150 nan 0.000 0.419 382 c N -1.720 117.085 118.600 0.342 0.000 2.985 382 c HA 0.837 5.406 4.570 -0.000 0.000 0.314 382 c C -0.846 173.471 174.090 0.378 0.000 1.215 382 c CA -0.996 55.530 56.329 0.329 0.000 1.414 382 c CB 0.349 42.990 42.510 0.217 0.000 1.842 382 c HN 1.065 nan 8.230 nan 0.000 0.477 383 F N 2.334 122.375 119.950 0.152 0.000 2.404 383 F HA 0.776 5.303 4.527 -0.000 0.000 0.345 383 F C -0.051 175.741 175.800 -0.013 0.000 1.110 383 F CA -0.747 57.209 58.000 -0.074 0.000 1.130 383 F CB 0.681 39.496 39.000 -0.309 0.000 1.129 383 F HN 0.570 nan 8.300 nan 0.000 0.500 384 I N 5.283 125.623 120.570 -0.382 0.000 2.389 384 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 384 I C -0.710 175.301 176.117 -0.176 0.000 0.999 384 I CA -0.495 60.676 61.300 -0.215 0.000 1.129 384 I CB 1.841 39.610 38.000 -0.385 0.000 1.288 384 I HN 0.483 nan 8.210 nan 0.000 0.444 385 T N 5.377 119.952 114.554 0.035 0.000 2.792 385 T HA 0.235 4.585 4.350 -0.000 0.000 0.280 385 T C -0.377 174.347 174.700 0.040 0.000 0.990 385 T CA -0.498 61.656 62.100 0.089 0.000 0.960 385 T CB 1.665 70.642 68.868 0.181 0.000 0.939 385 T HN 0.528 nan 8.240 nan 0.000 0.439 386 Q N 3.249 123.068 119.800 0.031 0.000 2.286 386 Q HA 0.364 4.704 4.340 -0.000 0.000 0.257 386 Q C 0.031 176.058 176.000 0.045 0.000 0.941 386 Q CA -0.327 55.494 55.803 0.029 0.000 0.912 386 Q CB 0.591 29.347 28.738 0.029 0.000 1.192 386 Q HN 0.707 nan 8.270 nan 0.000 0.410 387 L N 3.374 124.621 121.223 0.040 0.000 2.467 387 L HA 0.291 4.631 4.340 -0.000 0.000 0.213 387 L C 0.084 176.982 176.870 0.047 0.000 1.053 387 L CA 0.230 55.096 54.840 0.044 0.000 0.847 387 L CB 0.400 42.482 42.059 0.038 0.000 1.075 387 L HN 0.508 nan 8.230 nan 0.000 0.479 388 L N -0.126 121.118 121.223 0.036 0.000 2.388 388 L HA 0.353 4.693 4.340 -0.000 0.000 0.264 388 L C -1.825 175.066 176.870 0.035 0.000 0.998 388 L CA -1.543 53.318 54.840 0.034 0.000 0.817 388 L CB 2.563 44.615 42.059 -0.013 0.000 1.338 388 L HN -0.310 nan 8.230 nan 0.000 0.414 389 P HA -0.058 nan 4.420 nan 0.000 0.221 389 P C 0.056 177.474 177.300 0.196 0.000 1.150 389 P CA 0.843 64.020 63.100 0.127 0.000 0.800 389 P CB 0.295 32.108 31.700 0.189 0.000 0.787 390 V N -4.036 115.956 119.914 0.131 0.000 3.102 390 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 390 V C -0.329 175.811 176.094 0.076 0.000 1.135 390 V CA -1.862 60.502 62.300 0.107 0.000 1.022 390 V CB 2.192 34.067 31.823 0.086 0.000 1.056 390 V HN -0.273 nan 8.190 nan 0.000 0.436 391 K N 2.131 122.570 120.400 0.065 0.000 2.312 391 K HA 0.519 4.839 4.320 -0.000 0.000 0.287 391 K C -0.411 176.221 176.600 0.054 0.000 1.062 391 K CA -0.373 55.948 56.287 0.057 0.000 0.934 391 K CB 0.521 33.052 32.500 0.051 0.000 1.027 391 K HN 0.820 nan 8.250 nan 0.000 0.478 392 R N 3.919 124.454 120.500 0.058 0.000 2.522 392 R HA 0.162 4.502 4.340 -0.000 0.000 0.283 392 R C -1.137 175.204 176.300 0.068 0.000 1.074 392 R CA -0.756 55.378 56.100 0.058 0.000 0.925 392 R CB 1.370 31.699 30.300 0.048 0.000 1.205 392 R HN 0.566 nan 8.270 nan 0.000 0.436 393 K N 4.400 124.857 120.400 0.094 0.000 2.379 393 K HA 0.137 4.457 4.320 -0.000 0.000 0.284 393 K C 0.964 177.573 176.600 0.015 0.000 1.044 393 K CA 0.041 56.406 56.287 0.130 0.000 0.974 393 K CB 0.922 33.578 32.500 0.261 0.000 0.962 393 K HN 0.475 nan 8.250 nan 0.000 0.474 394 L N 1.821 122.984 121.223 -0.099 0.000 2.416 394 L HA 0.129 4.468 4.340 -0.000 0.000 0.216 394 L C 1.117 177.900 176.870 -0.146 0.000 1.098 394 L CA 0.305 55.116 54.840 -0.048 0.000 0.840 394 L CB -0.254 41.836 42.059 0.051 0.000 0.981 394 L HN 1.046 nan 8.230 nan 0.000 0.462 395 G N -0.149 108.273 108.800 -0.629 0.000 2.466 395 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.316 395 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.316 395 G C -0.900 173.481 174.900 -0.865 0.000 1.270 395 G CA -0.901 43.730 45.100 -0.782 0.000 0.982 395 G HN -0.123 nan 8.290 nan 0.000 0.506 396 F N 0.418 120.217 119.950 -0.252 0.000 2.396 396 F HA 0.677 5.204 4.527 -0.000 0.000 0.343 396 F C 0.254 175.982 175.800 -0.120 0.000 1.104 396 F CA 0.120 58.104 58.000 -0.028 0.000 1.161 396 F CB 1.124 40.174 39.000 0.084 0.000 1.146 396 F HN 0.381 nan 8.300 nan 0.000 0.522 397 Y N 2.012 122.405 120.300 0.155 0.000 2.350 397 Y HA 0.335 4.885 4.550 -0.000 0.000 0.338 397 Y C 0.158 176.137 175.900 0.131 0.000 0.961 397 Y CA -1.128 57.023 58.100 0.084 0.000 1.100 397 Y CB 1.117 39.584 38.460 0.013 0.000 1.179 397 Y HN 0.455 nan 8.280 nan 0.000 0.454 398 E N 2.083 122.397 120.200 0.189 0.000 2.345 398 E HA -0.097 4.252 4.350 -0.000 0.000 0.259 398 E C 1.023 177.765 176.600 0.237 0.000 1.117 398 E CA -0.336 56.178 56.400 0.190 0.000 0.913 398 E CB 0.544 30.316 29.700 0.119 0.000 1.057 398 E HN 0.960 nan 8.360 nan 0.000 0.432 399 W N 2.323 123.657 121.300 0.057 0.000 2.292 399 W HA -0.276 4.384 4.660 -0.000 0.000 0.304 399 W C 1.282 177.816 176.519 0.025 0.000 1.228 399 W CA 2.367 59.733 57.345 0.036 0.000 1.241 399 W CB 0.105 29.578 29.460 0.023 0.000 1.142 399 W HN 0.517 nan 8.180 nan 0.000 0.520 400 T N -1.464 113.080 114.554 -0.016 0.000 3.113 400 T HA 0.044 4.394 4.350 -0.000 0.000 0.256 400 T C 0.962 175.594 174.700 -0.114 0.000 1.131 400 T CA 0.385 62.401 62.100 -0.141 0.000 1.074 400 T CB -0.216 68.636 68.868 -0.027 0.000 0.944 400 T HN -0.116 nan 8.240 nan 0.000 0.516 401 S N 1.354 117.031 115.700 -0.037 0.000 2.614 401 S HA 0.452 4.922 4.470 -0.000 0.000 0.265 401 S C 0.246 174.846 174.600 -0.000 0.000 1.303 401 S CA -0.686 57.527 58.200 0.021 0.000 1.000 401 S CB 0.646 63.936 63.200 0.150 0.000 0.935 401 S HN 0.422 nan 8.310 nan 0.000 0.551 402 R N 0.935 121.454 120.500 0.032 0.000 2.494 402 R HA 0.432 4.772 4.340 -0.000 0.000 0.305 402 R C -0.992 175.363 176.300 0.093 0.000 0.959 402 R CA -0.625 55.472 56.100 -0.006 0.000 0.864 402 R CB 1.293 31.552 30.300 -0.069 0.000 1.159 402 R HN 0.484 nan 8.270 nan 0.000 0.446 403 L N 4.672 125.890 121.223 -0.008 0.000 2.305 403 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 403 L C -0.326 176.505 176.870 -0.064 0.000 1.085 403 L CA -0.369 54.446 54.840 -0.041 0.000 0.813 403 L CB 0.421 42.360 42.059 -0.201 0.000 1.157 403 L HN 0.579 nan 8.230 nan 0.000 0.436 404 R N 3.127 123.626 120.500 -0.002 0.000 2.513 404 R HA 0.669 5.008 4.340 -0.000 0.000 0.301 404 R C -1.309 174.997 176.300 0.011 0.000 0.968 404 R CA -0.749 55.327 56.100 -0.041 0.000 0.872 404 R CB 1.785 32.070 30.300 -0.026 0.000 1.177 404 R HN 0.447 nan 8.270 nan 0.000 0.444 405 S N 1.079 116.769 115.700 -0.017 0.000 2.588 405 S HA 0.398 4.868 4.470 -0.000 0.000 0.275 405 S C -1.312 173.285 174.600 -0.005 0.000 1.130 405 S CA -0.926 57.310 58.200 0.059 0.000 0.855 405 S CB 1.435 64.674 63.200 0.066 0.000 1.116 405 S HN 0.616 nan 8.310 nan 0.000 0.472 406 H N 0.529 119.639 119.070 0.066 0.000 2.476 406 H HA 0.622 5.177 4.556 -0.000 0.000 0.328 406 H C -0.759 174.630 175.328 0.102 0.000 1.073 406 H CA -0.276 55.828 56.048 0.093 0.000 1.229 406 H CB 0.594 30.401 29.762 0.074 0.000 1.432 406 H HN 0.374 nan 8.280 nan 0.000 0.477 407 I N 2.893 123.597 120.570 0.222 0.000 2.406 407 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 407 I C -0.212 175.992 176.117 0.145 0.000 0.999 407 I CA -0.978 60.428 61.300 0.177 0.000 1.124 407 I CB 1.286 39.407 38.000 0.202 0.000 1.289 407 I HN 0.536 nan 8.210 nan 0.000 0.441 408 N N 6.731 125.479 118.700 0.081 0.000 2.479 408 N HA 0.185 4.925 4.740 -0.000 0.000 0.257 408 N C -2.479 173.019 175.510 -0.021 0.000 1.232 408 N CA -1.534 51.536 53.050 0.034 0.000 0.920 408 N CB 0.119 38.614 38.487 0.014 0.000 1.105 408 N HN 0.230 nan 8.380 nan 0.000 0.444 409 P HA -0.066 nan 4.420 nan 0.000 0.258 409 P C 0.544 177.724 177.300 -0.201 0.000 1.172 409 P CA 0.947 63.989 63.100 -0.097 0.000 0.762 409 P CB -0.001 31.650 31.700 -0.082 0.000 0.764 410 T N -0.729 113.685 114.554 -0.232 0.000 7.578 410 T HA -0.184 4.166 4.350 -0.000 0.000 0.299 410 T C 0.658 175.079 174.700 -0.466 0.000 2.097 410 T CA 0.929 62.717 62.100 -0.520 0.000 3.248 410 T CB -2.308 65.869 68.868 -1.151 0.000 2.014 410 T HN 0.640 nan 8.240 nan 0.000 1.198 411 G N -0.427 108.224 108.800 -0.248 0.000 2.522 411 G HA2 0.603 4.563 3.960 -0.000 0.000 0.304 411 G HA3 0.603 4.563 3.960 -0.000 0.000 0.304 411 G C -0.630 174.208 174.900 -0.104 0.000 1.210 411 G CA -0.029 44.951 45.100 -0.200 0.000 0.960 411 G HN 0.604 nan 8.290 nan 0.000 0.497 412 T N -0.464 114.026 114.554 -0.107 0.000 2.886 412 T HA 0.451 4.800 4.350 -0.000 0.000 0.292 412 T C -0.576 174.100 174.700 -0.039 0.000 1.012 412 T CA -0.289 61.776 62.100 -0.058 0.000 0.982 412 T CB 1.933 70.752 68.868 -0.081 0.000 1.018 412 T HN 0.316 nan 8.240 nan 0.000 0.451 413 V N 3.798 123.711 119.914 -0.003 0.000 2.394 413 V HA 0.536 4.656 4.120 -0.000 0.000 0.282 413 V C -0.489 175.608 176.094 0.004 0.000 1.031 413 V CA -0.706 61.600 62.300 0.010 0.000 0.881 413 V CB 1.338 33.181 31.823 0.034 0.000 0.982 413 V HN 0.664 nan 8.190 nan 0.000 0.451 414 L N 7.169 128.393 121.223 0.003 0.000 2.333 414 L HA 0.703 5.043 4.340 -0.000 0.000 0.280 414 L C -0.847 176.033 176.870 0.017 0.000 1.004 414 L CA 0.156 55.001 54.840 0.008 0.000 0.820 414 L CB 1.310 43.369 42.059 -0.000 0.000 1.247 414 L HN 0.535 nan 8.230 nan 0.000 0.416 415 L N 4.111 125.346 121.223 0.020 0.000 2.354 415 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 415 L C -0.584 176.310 176.870 0.039 0.000 1.005 415 L CA -0.611 54.237 54.840 0.014 0.000 0.819 415 L CB 1.965 44.011 42.059 -0.023 0.000 1.311 415 L HN 0.588 nan 8.230 nan 0.000 0.423 416 Q N 1.750 121.579 119.800 0.049 0.000 2.316 416 Q HA 0.625 4.965 4.340 -0.000 0.000 0.264 416 Q C -1.740 174.316 176.000 0.093 0.000 0.987 416 Q CA -0.794 55.058 55.803 0.081 0.000 0.852 416 Q CB 1.812 30.599 28.738 0.082 0.000 1.287 416 Q HN 0.419 nan 8.270 nan 0.000 0.448 417 L N 3.692 124.994 121.223 0.133 0.000 2.305 417 L HA 0.405 4.745 4.340 -0.000 0.000 0.284 417 L C -0.665 176.326 176.870 0.202 0.000 1.013 417 L CA -0.230 54.695 54.840 0.143 0.000 0.819 417 L CB 1.739 43.874 42.059 0.126 0.000 1.227 417 L HN 0.558 nan 8.230 nan 0.000 0.417 418 E N 2.923 123.249 120.200 0.210 0.000 2.129 418 E HA 0.208 4.557 4.350 -0.000 0.000 0.268 418 E C -0.551 176.191 176.600 0.236 0.000 0.900 418 E CA -0.488 56.038 56.400 0.209 0.000 0.755 418 E CB 1.763 31.572 29.700 0.181 0.000 1.117 418 E HN 0.436 nan 8.360 nan 0.000 0.410 419 N N 1.714 120.548 118.700 0.223 0.000 2.454 419 N HA -0.038 4.702 4.740 -0.000 0.000 0.254 419 N C 0.505 176.138 175.510 0.205 0.000 1.228 419 N CA 0.472 53.650 53.050 0.213 0.000 0.900 419 N CB 0.820 39.422 38.487 0.193 0.000 1.089 419 N HN 0.325 nan 8.380 nan 0.000 0.449 420 T N 1.443 116.129 114.554 0.219 0.000 3.278 420 T HA 0.165 4.515 4.350 -0.000 0.000 0.251 420 T C 0.630 175.407 174.700 0.127 0.000 1.039 420 T CA -0.538 61.690 62.100 0.213 0.000 0.935 420 T CB -0.317 68.705 68.868 0.257 0.000 1.034 420 T HN 0.550 nan 8.240 nan 0.000 0.575 421 M N 0.000 119.664 119.600 0.106 0.000 2.572 421 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 421 M CA 0.000 55.342 55.300 0.070 0.000 0.988 421 M CB 0.000 32.635 32.600 0.058 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411