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 2rkb_1_A DATA FIRST_RESID 11 DATA SEQUENCE QEPFHVVTPL LESWALSQVA GMPVFLKCEN VQPSGSFKIR GIGHFCQEMA DATA SEQUENCE KKGCRHLVCS SGGNAGIAAA YAARKLGIPA TIVLPESTSL QVVQRLQGEG DATA SEQUENCE AEVQLTGKVW DEANLRAQEL AKRDGWENVP PFDHPLIWKG HASLVQELKA DATA SEQUENCE VLRTPPGALV LAVGGGGLLA GVVAGLLEVG WQHVPIIAME THGAHCFNAA DATA SEQUENCE ITAGKLVTLP DITSVAKSLG AKTVAARALE CMQVCKIHSE VVEDTEAVSA DATA SEQUENCE VQQLLDDERM LVEPACGAAL AAIYSGLLRR LQAEGCLPPS LTSVVVIVCG DATA SEQUENCE GNNINSRELQ ALKTHLGQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.930 176.000 -0.117 0.000 1.003 11 Q CA 0.000 55.756 55.803 -0.079 0.000 1.022 11 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 12 E N 4.393 124.534 120.200 -0.099 0.000 2.558 12 E HA 0.016 4.366 4.350 -0.000 0.000 0.255 12 E C -2.084 174.372 176.600 -0.239 0.000 0.968 12 E CA -0.478 55.853 56.400 -0.115 0.000 0.939 12 E CB 0.050 29.720 29.700 -0.050 0.000 0.921 12 E HN 0.154 nan 8.360 nan 0.000 0.477 13 P HA 0.019 nan 4.420 nan 0.000 0.272 13 P C 0.229 177.378 177.300 -0.253 0.000 1.230 13 P CA -0.162 62.753 63.100 -0.309 0.000 0.788 13 P CB 0.409 31.997 31.700 -0.187 0.000 0.949 14 F N -1.057 118.946 119.950 0.088 0.000 2.615 14 F HA 0.004 4.530 4.527 -0.000 0.000 0.297 14 F C 1.881 177.771 175.800 0.150 0.000 1.124 14 F CA 0.225 58.317 58.000 0.155 0.000 1.451 14 F CB -1.176 37.992 39.000 0.278 0.000 1.103 14 F HN 0.377 nan 8.300 nan 0.000 0.569 15 H N 0.252 119.475 119.070 0.255 0.000 2.546 15 H HA 0.535 5.091 4.556 -0.000 0.000 0.365 15 H C -0.155 175.247 175.328 0.124 0.000 1.220 15 H CA -0.523 55.624 56.048 0.165 0.000 1.386 15 H CB 1.142 30.989 29.762 0.142 0.000 1.510 15 H HN -0.011 nan 8.280 nan 0.000 0.591 16 V N -0.637 119.359 119.914 0.137 0.000 3.019 16 V HA 0.395 4.514 4.120 -0.000 0.000 0.317 16 V C 0.016 176.206 176.094 0.160 0.000 1.094 16 V CA -1.207 61.130 62.300 0.061 0.000 1.000 16 V CB 1.552 33.413 31.823 0.062 0.000 1.060 16 V HN 0.560 nan 8.190 nan 0.000 0.443 17 V N 3.452 123.427 119.914 0.101 0.000 2.403 17 V HA 0.257 4.377 4.120 -0.000 0.000 0.265 17 V C 1.081 177.235 176.094 0.099 0.000 1.034 17 V CA 0.688 63.057 62.300 0.116 0.000 1.036 17 V CB 0.195 32.062 31.823 0.074 0.000 1.032 17 V HN 1.185 nan 8.190 nan 0.000 0.478 18 T N 5.063 119.684 114.554 0.111 0.000 2.910 18 T HA 0.434 4.784 4.350 -0.000 0.000 0.293 18 T C -2.444 172.305 174.700 0.082 0.000 1.015 18 T CA -1.844 60.311 62.100 0.092 0.000 1.094 18 T CB 1.227 70.153 68.868 0.096 0.000 0.968 18 T HN 0.396 nan 8.240 nan 0.000 0.521 19 P HA 0.250 nan 4.420 nan 0.000 0.269 19 P C -0.889 176.469 177.300 0.097 0.000 1.209 19 P CA -0.597 62.551 63.100 0.081 0.000 0.776 19 P CB 0.308 32.051 31.700 0.073 0.000 0.876 20 L N 4.514 125.807 121.223 0.116 0.000 2.387 20 L HA 0.328 4.668 4.340 -0.000 0.000 0.259 20 L C -1.126 175.884 176.870 0.232 0.000 1.050 20 L CA -0.102 54.835 54.840 0.162 0.000 0.922 20 L CB -0.434 41.705 42.059 0.133 0.000 1.280 20 L HN 0.196 nan 8.230 nan 0.000 0.449 21 L N 2.937 124.270 121.223 0.182 0.000 2.305 21 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 21 L C 0.488 177.393 176.870 0.058 0.000 1.085 21 L CA -0.311 54.609 54.840 0.133 0.000 0.813 21 L CB 1.160 43.264 42.059 0.075 0.000 1.157 21 L HN 0.516 nan 8.230 nan 0.000 0.436 22 E N 2.024 122.175 120.200 -0.083 0.000 2.194 22 E HA 0.119 4.469 4.350 -0.000 0.000 0.284 22 E C -0.717 175.743 176.600 -0.233 0.000 1.035 22 E CA -0.235 55.857 56.400 -0.513 0.000 0.836 22 E CB 1.227 30.541 29.700 -0.644 0.000 1.070 22 E HN 0.500 nan 8.360 nan 0.000 0.401 23 S N 4.638 120.206 115.700 -0.219 0.000 2.422 23 S HA 0.093 4.563 4.470 -0.000 0.000 0.298 23 S C 0.334 174.926 174.600 -0.013 0.000 1.118 23 S CA -0.700 57.459 58.200 -0.069 0.000 1.083 23 S CB 0.388 63.546 63.200 -0.069 0.000 0.971 23 S HN 0.753 nan 8.310 nan 0.000 0.478 24 W N 6.042 127.276 121.300 -0.109 0.000 2.353 24 W HA -0.057 4.603 4.660 -0.000 0.000 0.319 24 W C 2.061 178.540 176.519 -0.066 0.000 1.207 24 W CA 2.050 59.344 57.345 -0.085 0.000 1.291 24 W CB -1.014 28.413 29.460 -0.055 0.000 1.159 24 W HN 0.815 nan 8.180 nan 0.000 0.478 25 A N 0.607 123.311 122.820 -0.193 0.000 1.873 25 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 25 A C 2.076 179.488 177.584 -0.286 0.000 1.193 25 A CA 2.144 53.943 52.037 -0.397 0.000 0.629 25 A CB -1.265 17.650 19.000 -0.142 0.000 0.826 25 A HN 0.352 nan 8.150 nan 0.000 0.447 26 L N 0.038 121.145 121.223 -0.193 0.000 2.042 26 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 26 L C 2.803 179.534 176.870 -0.232 0.000 1.076 26 L CA 2.266 56.954 54.840 -0.252 0.000 0.749 26 L CB -1.662 40.258 42.059 -0.231 0.000 0.893 26 L HN 0.392 nan 8.230 nan 0.000 0.432 27 S N -0.789 114.792 115.700 -0.198 0.000 2.359 27 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 27 S C 1.856 176.349 174.600 -0.177 0.000 1.035 27 S CA 0.977 59.079 58.200 -0.163 0.000 1.018 27 S CB -0.105 63.025 63.200 -0.116 0.000 0.876 27 S HN 0.450 nan 8.310 nan 0.000 0.448 28 Q N 0.650 120.286 119.800 -0.273 0.000 2.045 28 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 28 Q C 2.486 178.367 176.000 -0.198 0.000 0.991 28 Q CA 1.355 56.990 55.803 -0.279 0.000 0.851 28 Q CB -1.026 27.411 28.738 -0.502 0.000 0.911 28 Q HN 0.448 nan 8.270 nan 0.000 0.418 29 V N 1.153 120.944 119.914 -0.205 0.000 2.295 29 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 29 V C 2.381 178.398 176.094 -0.127 0.000 1.049 29 V CA 1.864 64.078 62.300 -0.143 0.000 1.024 29 V CB -1.102 30.644 31.823 -0.129 0.000 0.648 29 V HN 0.370 nan 8.190 nan 0.000 0.447 30 A N -0.603 122.127 122.820 -0.150 0.000 2.015 30 A HA 0.217 4.537 4.320 -0.000 0.000 0.219 30 A C 2.077 179.608 177.584 -0.088 0.000 1.163 30 A CA 1.443 53.408 52.037 -0.121 0.000 0.646 30 A CB -0.723 18.199 19.000 -0.130 0.000 0.806 30 A HN 1.395 nan 8.150 nan 0.000 0.448 31 G N -1.395 107.353 108.800 -0.087 0.000 2.137 31 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.237 31 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.237 31 G C 0.049 174.921 174.900 -0.047 0.000 1.002 31 G CA 0.657 45.720 45.100 -0.062 0.000 0.702 31 G HN 1.639 nan 8.290 nan 0.000 0.515 32 M N -3.003 116.565 119.600 -0.052 0.000 2.694 32 M HA 0.579 5.059 4.480 -0.000 0.000 0.276 32 M C -3.182 173.095 176.300 -0.037 0.000 1.167 32 M CA -2.071 53.212 55.300 -0.029 0.000 0.849 32 M CB 1.573 34.161 32.600 -0.020 0.000 1.705 32 M HN -0.098 nan 8.290 nan 0.000 0.504 33 P HA 0.173 nan 4.420 nan 0.000 0.263 33 P C -0.936 176.329 177.300 -0.059 0.000 1.195 33 P CA -0.007 63.060 63.100 -0.055 0.000 0.762 33 P CB 0.683 32.416 31.700 0.055 0.000 0.799 34 V N 5.560 125.348 119.914 -0.209 0.000 2.417 34 V HA 0.375 4.495 4.120 -0.000 0.000 0.291 34 V C -0.051 175.873 176.094 -0.283 0.000 1.024 34 V CA -0.372 61.847 62.300 -0.135 0.000 0.861 34 V CB 0.805 32.547 31.823 -0.136 0.000 0.985 34 V HN 0.321 nan 8.190 nan 0.000 0.436 35 F N 4.691 124.634 119.950 -0.013 0.000 2.458 35 F HA 0.613 5.140 4.527 -0.000 0.000 0.336 35 F C 0.036 175.837 175.800 0.001 0.000 1.114 35 F CA -0.724 57.279 58.000 0.005 0.000 0.987 35 F CB 1.592 40.600 39.000 0.015 0.000 1.130 35 F HN 0.183 nan 8.300 nan 0.000 0.458 36 L N 3.693 125.005 121.223 0.149 0.000 2.265 36 L HA 0.417 4.757 4.340 -0.000 0.000 0.289 36 L C -0.196 176.741 176.870 0.112 0.000 1.033 36 L CA -1.016 53.881 54.840 0.095 0.000 0.814 36 L CB 1.242 43.333 42.059 0.054 0.000 1.203 36 L HN 0.395 nan 8.230 nan 0.000 0.423 37 K N 3.024 123.479 120.400 0.090 0.000 2.250 37 K HA 0.198 4.518 4.320 -0.000 0.000 0.285 37 K C -0.631 176.010 176.600 0.068 0.000 1.097 37 K CA -0.345 55.990 56.287 0.080 0.000 0.913 37 K CB 0.069 32.604 32.500 0.057 0.000 1.179 37 K HN 0.577 nan 8.250 nan 0.000 0.462 38 C N 5.641 124.986 119.300 0.076 0.000 2.773 38 C HA 0.125 4.585 4.460 -0.000 0.000 0.442 38 C C 1.024 176.062 174.990 0.079 0.000 1.028 38 C CA -0.667 58.394 59.018 0.072 0.000 1.164 38 C CB -1.256 26.525 27.740 0.068 0.000 1.593 38 C HN 0.728 nan 8.230 nan 0.000 0.557 39 E N 2.162 122.417 120.200 0.090 0.000 2.482 39 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 39 E C 1.809 178.471 176.600 0.103 0.000 1.047 39 E CA 0.369 56.842 56.400 0.123 0.000 0.869 39 E CB -0.123 29.692 29.700 0.192 0.000 0.836 39 E HN 0.845 nan 8.360 nan 0.000 0.520 40 N N 0.636 119.384 118.700 0.080 0.000 2.459 40 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 40 N C 1.333 176.865 175.510 0.038 0.000 1.046 40 N CA 0.877 53.962 53.050 0.057 0.000 0.904 40 N CB -0.138 38.381 38.487 0.053 0.000 0.964 40 N HN 0.086 nan 8.380 nan 0.000 0.444 41 V N -2.616 117.324 119.914 0.043 0.000 3.039 41 V HA 0.305 4.425 4.120 -0.000 0.000 0.369 41 V C 0.201 176.310 176.094 0.025 0.000 1.344 41 V CA -0.663 61.655 62.300 0.030 0.000 1.270 41 V CB -0.256 31.589 31.823 0.037 0.000 1.284 41 V HN -0.064 nan 8.190 nan 0.000 0.518 42 Q N 2.054 121.867 119.800 0.020 0.000 2.259 42 Q HA 0.374 4.714 4.340 -0.000 0.000 0.246 42 Q C -1.356 174.598 176.000 -0.076 0.000 0.920 42 Q CA -1.855 53.955 55.803 0.011 0.000 0.895 42 Q CB 2.029 30.791 28.738 0.039 0.000 1.220 42 Q HN 0.226 nan 8.270 nan 0.000 0.439 43 P HA -0.231 nan 4.420 nan 0.000 0.218 43 P C 0.935 177.931 177.300 -0.507 0.000 1.154 43 P CA 1.899 64.797 63.100 -0.336 0.000 0.872 43 P CB 0.148 31.579 31.700 -0.448 0.000 0.790 44 S N -2.609 112.815 115.700 -0.460 0.000 2.593 44 S HA 0.331 4.801 4.470 -0.000 0.000 0.217 44 S C 1.593 176.093 174.600 -0.166 0.000 0.966 44 S CA 0.580 58.573 58.200 -0.345 0.000 0.914 44 S CB -0.651 62.406 63.200 -0.239 0.000 0.776 44 S HN 0.376 nan 8.310 nan 0.000 0.523 45 G N 0.433 109.158 108.800 -0.125 0.000 2.201 45 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.212 45 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.212 45 G C 0.126 175.001 174.900 -0.042 0.000 0.994 45 G CA 0.208 45.268 45.100 -0.066 0.000 0.644 45 G HN 1.736 nan 8.290 nan 0.000 0.508 46 S N -1.167 114.494 115.700 -0.065 0.000 2.636 46 S HA 0.611 5.081 4.470 -0.000 0.000 0.268 46 S C 0.750 175.306 174.600 -0.073 0.000 1.159 46 S CA 0.101 58.274 58.200 -0.045 0.000 0.815 46 S CB 0.187 63.314 63.200 -0.122 0.000 1.130 46 S HN 1.414 nan 8.310 nan 0.000 0.471 47 F N 1.032 120.979 119.950 -0.005 0.000 2.307 47 F HA 0.202 4.729 4.527 -0.000 0.000 0.301 47 F C 1.931 177.761 175.800 0.051 0.000 1.076 47 F CA 0.837 58.830 58.000 -0.012 0.000 1.383 47 F CB -0.612 38.331 39.000 -0.096 0.000 1.055 47 F HN 0.448 nan 8.300 nan 0.000 0.526 48 K N 1.124 120.937 120.400 -0.979 0.000 2.107 48 K HA -0.253 4.067 4.320 -0.000 0.000 0.211 48 K C 2.033 178.628 176.600 -0.008 0.000 1.049 48 K CA 1.810 57.788 56.287 -0.515 0.000 0.927 48 K CB -0.985 31.246 32.500 -0.449 0.000 0.714 48 K HN 0.425 nan 8.250 nan 0.000 0.452 49 I N 1.808 122.382 120.570 0.007 0.000 2.530 49 I HA -0.264 3.906 4.170 -0.000 0.000 0.257 49 I C 2.136 178.399 176.117 0.243 0.000 1.179 49 I CA 1.204 62.592 61.300 0.147 0.000 1.440 49 I CB -0.147 37.927 38.000 0.124 0.000 1.087 49 I HN 0.095 nan 8.210 nan 0.000 0.440 50 R N -0.114 120.520 120.500 0.224 0.000 2.082 50 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 50 R C 2.328 178.721 176.300 0.156 0.000 1.140 50 R CA 1.655 57.832 56.100 0.129 0.000 0.920 50 R CB -1.339 29.034 30.300 0.122 0.000 0.828 50 R HN 0.489 nan 8.270 nan 0.000 0.430 51 G N 0.962 109.818 108.800 0.094 0.000 2.414 51 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 51 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 51 G C 1.510 176.408 174.900 -0.003 0.000 1.188 51 G CA 0.622 45.560 45.100 -0.270 0.000 0.783 51 G HN 0.160 nan 8.290 nan 0.000 0.537 52 I N 1.356 121.951 120.570 0.042 0.000 2.286 52 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 52 I C 3.035 179.280 176.117 0.214 0.000 1.115 52 I CA 0.945 62.301 61.300 0.093 0.000 1.392 52 I CB -0.370 37.664 38.000 0.057 0.000 1.065 52 I HN 0.271 nan 8.210 nan 0.000 0.418 53 G N -0.435 108.522 108.800 0.263 0.000 2.418 53 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 53 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 53 G C 1.627 176.670 174.900 0.238 0.000 1.158 53 G CA 0.736 46.062 45.100 0.377 0.000 0.771 53 G HN 0.450 nan 8.290 nan 0.000 0.545 54 H N -0.725 118.403 119.070 0.095 0.000 2.389 54 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 54 H C 2.229 177.557 175.328 -0.000 0.000 1.081 54 H CA 1.261 57.315 56.048 0.010 0.000 1.345 54 H CB -0.124 29.645 29.762 0.011 0.000 1.393 54 H HN 0.325 nan 8.280 nan 0.000 0.520 55 F N 1.251 121.102 119.950 -0.164 0.000 2.069 55 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 55 F C 2.713 178.381 175.800 -0.221 0.000 1.113 55 F CA 1.850 59.690 58.000 -0.267 0.000 1.214 55 F CB -0.858 37.994 39.000 -0.247 0.000 0.978 55 F HN 0.214 nan 8.300 nan 0.000 0.474 56 C N 0.419 119.761 119.300 0.070 0.000 2.429 56 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 56 C C 2.711 177.646 174.990 -0.092 0.000 1.262 56 C CA 1.230 60.262 59.018 0.024 0.000 1.733 56 C CB -1.310 26.534 27.740 0.173 0.000 2.010 56 C HN 0.563 nan 8.230 nan 0.000 0.483 57 Q N 0.272 120.014 119.800 -0.095 0.000 2.124 57 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 57 Q C 2.205 178.061 176.000 -0.240 0.000 0.977 57 Q CA 1.164 56.877 55.803 -0.150 0.000 0.850 57 Q CB -0.164 28.439 28.738 -0.225 0.000 0.901 57 Q HN 0.638 nan 8.270 nan 0.000 0.429 58 E N 0.244 120.208 120.200 -0.394 0.000 2.072 58 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 58 E C 1.954 178.346 176.600 -0.346 0.000 0.985 58 E CA 0.904 57.064 56.400 -0.400 0.000 0.801 58 E CB -0.079 29.297 29.700 -0.541 0.000 0.750 58 E HN 0.347 nan 8.360 nan 0.000 0.452 59 M N 0.274 119.613 119.600 -0.434 0.000 2.213 59 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 59 M C 2.245 178.429 176.300 -0.193 0.000 1.062 59 M CA 1.093 56.190 55.300 -0.339 0.000 1.105 59 M CB -1.245 31.133 32.600 -0.370 0.000 1.385 59 M HN 0.028 nan 8.290 nan 0.000 0.417 60 A N 0.667 123.389 122.820 -0.163 0.000 1.858 60 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 60 A C 2.305 179.832 177.584 -0.096 0.000 1.190 60 A CA 1.742 53.718 52.037 -0.102 0.000 0.617 60 A CB -0.563 18.397 19.000 -0.066 0.000 0.827 60 A HN 0.457 nan 8.150 nan 0.000 0.443 61 K N -0.411 119.922 120.400 -0.111 0.000 2.074 61 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 61 K C 2.023 178.572 176.600 -0.085 0.000 1.048 61 K CA 1.745 57.977 56.287 -0.092 0.000 0.926 61 K CB -0.176 32.262 32.500 -0.103 0.000 0.713 61 K HN 0.417 nan 8.250 nan 0.000 0.444 62 K N 0.007 120.343 120.400 -0.107 0.000 2.574 62 K HA -0.087 4.233 4.320 -0.000 0.000 0.193 62 K C 0.293 176.855 176.600 -0.064 0.000 1.035 62 K CA 0.704 56.937 56.287 -0.089 0.000 0.982 62 K CB 0.032 32.463 32.500 -0.116 0.000 0.795 62 K HN 0.399 nan 8.250 nan 0.000 0.491 63 G N 0.807 109.570 108.800 -0.062 0.000 2.203 63 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.231 63 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.231 63 G C -0.154 174.723 174.900 -0.038 0.000 1.058 63 G CA -0.050 45.025 45.100 -0.043 0.000 0.781 63 G HN 0.361 nan 8.290 nan 0.000 0.496 64 C N -0.080 119.185 119.300 -0.059 0.000 2.585 64 C HA 0.728 5.188 4.460 -0.000 0.000 0.406 64 C C 1.709 176.658 174.990 -0.068 0.000 1.312 64 C CA -0.247 58.737 59.018 -0.056 0.000 1.924 64 C CB 0.345 28.034 27.740 -0.084 0.000 2.578 64 C HN 0.563 nan 8.230 nan 0.000 0.580 65 R N 1.729 122.193 120.500 -0.060 0.000 2.365 65 R HA 0.316 4.656 4.340 -0.000 0.000 0.223 65 R C 0.032 176.222 176.300 -0.183 0.000 0.899 65 R CA 0.333 56.385 56.100 -0.082 0.000 1.059 65 R CB -0.194 30.102 30.300 -0.005 0.000 1.086 65 R HN 0.809 nan 8.270 nan 0.000 0.522 66 H N -0.375 118.448 119.070 -0.412 0.000 3.099 66 H HA 0.324 4.880 4.556 -0.000 0.000 0.342 66 H C -1.517 173.452 175.328 -0.599 0.000 1.054 66 H CA -0.594 55.014 56.048 -0.734 0.000 1.328 66 H CB 0.941 29.735 29.762 -1.613 0.000 1.876 66 H HN -0.080 nan 8.280 nan 0.000 0.495 67 L N 4.676 125.714 121.223 -0.308 0.000 2.307 67 L HA 0.530 4.870 4.340 -0.000 0.000 0.284 67 L C 0.076 176.937 176.870 -0.015 0.000 1.023 67 L CA -0.951 53.828 54.840 -0.102 0.000 0.810 67 L CB 1.957 43.969 42.059 -0.078 0.000 1.231 67 L HN 0.226 nan 8.230 nan 0.000 0.423 68 V N 2.984 122.952 119.914 0.089 0.000 2.914 68 V HA 0.705 4.825 4.120 -0.000 0.000 0.314 68 V C -1.264 174.892 176.094 0.103 0.000 1.084 68 V CA -0.384 62.005 62.300 0.150 0.000 0.963 68 V CB 2.164 34.174 31.823 0.312 0.000 1.025 68 V HN 0.933 nan 8.190 nan 0.000 0.432 69 C N 3.502 122.857 119.300 0.092 0.000 3.082 69 C HA 0.654 5.114 4.460 -0.000 0.000 0.324 69 C C 0.782 175.828 174.990 0.093 0.000 1.210 69 C CA 0.225 59.285 59.018 0.070 0.000 1.366 69 C CB 1.475 29.245 27.740 0.050 0.000 1.756 69 C HN 1.154 nan 8.230 nan 0.000 0.485 70 S N 1.754 117.529 115.700 0.125 0.000 2.568 70 S HA 0.242 4.712 4.470 -0.000 0.000 0.232 70 S C 0.216 175.048 174.600 0.387 0.000 0.975 70 S CA 0.019 58.334 58.200 0.190 0.000 0.949 70 S CB 0.115 63.363 63.200 0.080 0.000 0.829 70 S HN 1.000 nan 8.310 nan 0.000 0.479 71 S N 0.727 116.574 115.700 0.245 0.000 2.422 71 S HA 0.602 5.072 4.470 -0.000 0.000 0.308 71 S C 1.005 175.684 174.600 0.131 0.000 1.097 71 S CA -0.272 58.044 58.200 0.194 0.000 1.099 71 S CB 0.787 64.055 63.200 0.113 0.000 0.976 71 S HN 0.480 nan 8.310 nan 0.000 0.471 72 G N 3.513 112.388 108.800 0.124 0.000 3.042 72 G HA2 0.356 4.316 3.960 -0.000 0.000 0.212 72 G HA3 0.356 4.316 3.960 -0.000 0.000 0.212 72 G C 0.672 175.600 174.900 0.048 0.000 1.166 72 G CA 0.157 45.308 45.100 0.086 0.000 0.767 72 G HN 0.830 nan 8.290 nan 0.000 0.546 73 G N 0.483 109.302 108.800 0.033 0.000 2.666 73 G HA2 0.117 4.077 3.960 -0.000 0.000 0.207 73 G HA3 0.117 4.077 3.960 -0.000 0.000 0.207 73 G C 1.044 175.944 174.900 0.001 0.000 1.481 73 G CA -0.183 44.923 45.100 0.009 0.000 1.071 73 G HN 0.099 nan 8.290 nan 0.000 0.572 74 N N 0.415 119.104 118.700 -0.019 0.000 2.166 74 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 74 N C 2.378 177.855 175.510 -0.054 0.000 1.019 74 N CA 1.243 54.264 53.050 -0.048 0.000 0.856 74 N CB -0.369 38.070 38.487 -0.080 0.000 0.993 74 N HN 0.417 nan 8.380 nan 0.000 0.426 75 A N 1.031 123.831 122.820 -0.033 0.000 1.877 75 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 75 A C 2.432 180.018 177.584 0.005 0.000 1.186 75 A CA 1.927 53.953 52.037 -0.017 0.000 0.620 75 A CB -1.203 17.809 19.000 0.020 0.000 0.822 75 A HN 0.351 nan 8.150 nan 0.000 0.443 76 G N 0.015 108.828 108.800 0.022 0.000 2.421 76 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 76 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 76 G C 1.537 176.455 174.900 0.032 0.000 1.171 76 G CA 1.108 46.230 45.100 0.036 0.000 0.775 76 G HN 0.473 nan 8.290 nan 0.000 0.543 77 I N 1.411 121.994 120.570 0.021 0.000 2.163 77 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 77 I C 3.319 179.466 176.117 0.049 0.000 1.085 77 I CA 1.045 62.361 61.300 0.026 0.000 1.347 77 I CB -0.296 37.705 38.000 0.002 0.000 1.044 77 I HN 0.261 nan 8.210 nan 0.000 0.408 78 A N 0.863 123.699 122.820 0.027 0.000 1.877 78 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 78 A C 2.584 180.240 177.584 0.119 0.000 1.186 78 A CA 1.993 54.068 52.037 0.063 0.000 0.620 78 A CB -0.944 18.065 19.000 0.016 0.000 0.822 78 A HN 0.437 nan 8.150 nan 0.000 0.443 79 A N -0.024 122.838 122.820 0.070 0.000 1.873 79 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 79 A C 2.573 180.184 177.584 0.044 0.000 1.193 79 A CA 2.740 54.814 52.037 0.061 0.000 0.629 79 A CB -1.290 17.729 19.000 0.032 0.000 0.826 79 A HN 1.209 nan 8.150 nan 0.000 0.447 80 A N -1.545 121.296 122.820 0.036 0.000 1.892 80 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 80 A C 2.182 179.759 177.584 -0.012 0.000 1.188 80 A CA 1.933 53.972 52.037 0.004 0.000 0.631 80 A CB -1.008 18.003 19.000 0.019 0.000 0.822 80 A HN 0.819 nan 8.150 nan 0.000 0.447 81 Y N 0.573 120.824 120.300 -0.081 0.000 2.097 81 Y HA -0.169 4.381 4.550 -0.000 0.000 0.282 81 Y C 2.715 178.479 175.900 -0.226 0.000 1.152 81 Y CA 1.755 59.779 58.100 -0.126 0.000 1.136 81 Y CB -0.653 37.757 38.460 -0.084 0.000 0.975 81 Y HN 0.319 nan 8.280 nan 0.000 0.498 82 A N 0.589 123.371 122.820 -0.064 0.000 1.883 82 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 82 A C 2.443 179.846 177.584 -0.301 0.000 1.186 82 A CA 2.251 54.164 52.037 -0.207 0.000 0.624 82 A CB -1.641 17.492 19.000 0.222 0.000 0.822 82 A HN 0.669 nan 8.150 nan 0.000 0.444 83 A N -0.518 122.206 122.820 -0.161 0.000 1.883 83 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 83 A C 2.273 179.706 177.584 -0.252 0.000 1.186 83 A CA 1.882 53.817 52.037 -0.169 0.000 0.624 83 A CB -0.553 18.360 19.000 -0.145 0.000 0.822 83 A HN 0.554 nan 8.150 nan 0.000 0.444 84 R N -0.472 119.848 120.500 -0.301 0.000 2.080 84 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 84 R C 1.833 177.897 176.300 -0.393 0.000 1.137 84 R CA 1.650 57.562 56.100 -0.314 0.000 0.943 84 R CB -0.171 29.944 30.300 -0.307 0.000 0.846 84 R HN 0.261 nan 8.270 nan 0.000 0.431 85 K N 0.493 120.505 120.400 -0.646 0.000 2.360 85 K HA -0.122 4.198 4.320 -0.000 0.000 0.201 85 K C 1.766 178.122 176.600 -0.407 0.000 1.046 85 K CA 0.933 56.792 56.287 -0.714 0.000 0.940 85 K CB -0.024 31.605 32.500 -1.452 0.000 0.748 85 K HN 0.349 nan 8.250 nan 0.000 0.465 86 L N -0.555 120.492 121.223 -0.294 0.000 2.585 86 L HA 0.120 4.460 4.340 -0.000 0.000 0.226 86 L C 0.899 177.708 176.870 -0.102 0.000 1.113 86 L CA 0.252 55.046 54.840 -0.077 0.000 0.876 86 L CB -0.007 42.049 42.059 -0.005 0.000 1.072 86 L HN 0.282 nan 8.230 nan 0.000 0.468 87 G N 1.488 110.197 108.800 -0.151 0.000 2.198 87 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 87 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 87 G C 0.061 174.874 174.900 -0.144 0.000 1.025 87 G CA 0.141 45.161 45.100 -0.133 0.000 0.769 87 G HN 0.325 nan 8.290 nan 0.000 0.507 88 I N 0.342 120.806 120.570 -0.176 0.000 2.441 88 I HA 0.325 4.495 4.170 -0.000 0.000 0.295 88 I C -2.075 173.850 176.117 -0.319 0.000 0.994 88 I CA -2.711 58.454 61.300 -0.226 0.000 1.144 88 I CB 2.074 39.953 38.000 -0.202 0.000 1.314 88 I HN -0.177 nan 8.210 nan 0.000 0.445 89 P HA 0.072 nan 4.420 nan 0.000 0.265 89 P C -1.013 175.861 177.300 -0.710 0.000 1.193 89 P CA -0.002 62.724 63.100 -0.624 0.000 0.765 89 P CB 0.600 31.751 31.700 -0.914 0.000 0.823 90 A N 2.755 125.336 122.820 -0.398 0.000 2.331 90 A HA 0.659 4.979 4.320 -0.000 0.000 0.320 90 A C -0.415 177.118 177.584 -0.084 0.000 1.138 90 A CA -0.281 51.619 52.037 -0.228 0.000 0.790 90 A CB 0.788 19.707 19.000 -0.135 0.000 1.206 90 A HN 0.409 nan 8.150 nan 0.000 0.470 91 T N 3.733 118.304 114.554 0.027 0.000 2.840 91 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 91 T C -0.510 174.254 174.700 0.107 0.000 0.991 91 T CA -0.226 61.951 62.100 0.129 0.000 0.964 91 T CB 0.533 69.569 68.868 0.280 0.000 0.954 91 T HN 0.440 nan 8.240 nan 0.000 0.438 92 I N 3.825 124.446 120.570 0.086 0.000 2.354 92 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 92 I C 0.008 176.175 176.117 0.083 0.000 0.989 92 I CA -1.078 60.270 61.300 0.081 0.000 1.188 92 I CB 1.404 39.444 38.000 0.067 0.000 1.342 92 I HN 0.340 nan 8.210 nan 0.000 0.457 93 V N 7.887 127.848 119.914 0.078 0.000 2.376 93 V HA 0.557 4.677 4.120 -0.000 0.000 0.287 93 V C -1.041 175.080 176.094 0.045 0.000 1.015 93 V CA -0.332 61.998 62.300 0.051 0.000 0.834 93 V CB 1.431 33.272 31.823 0.029 0.000 1.001 93 V HN 0.459 nan 8.190 nan 0.000 0.428 94 L N 7.786 129.044 121.223 0.059 0.000 2.286 94 L HA 0.785 5.124 4.340 -0.000 0.000 0.265 94 L C -2.336 174.568 176.870 0.057 0.000 1.012 94 L CA -2.318 52.580 54.840 0.095 0.000 0.818 94 L CB 1.821 43.957 42.059 0.128 0.000 1.337 94 L HN 0.412 nan 8.230 nan 0.000 0.438 95 P HA 0.167 nan 4.420 nan 0.000 0.274 95 P C 0.034 177.367 177.300 0.056 0.000 1.246 95 P CA -0.281 62.854 63.100 0.059 0.000 0.795 95 P CB 0.994 32.755 31.700 0.103 0.000 1.006 96 E N 0.247 120.470 120.200 0.038 0.000 2.265 96 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 96 E C 1.772 178.396 176.600 0.040 0.000 0.996 96 E CA 1.511 57.931 56.400 0.034 0.000 0.832 96 E CB -0.297 29.417 29.700 0.024 0.000 0.756 96 E HN 0.502 nan 8.360 nan 0.000 0.491 97 S N 0.241 115.971 115.700 0.051 0.000 2.481 97 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 97 S C 1.098 175.729 174.600 0.053 0.000 0.996 97 S CA 0.140 58.370 58.200 0.051 0.000 0.942 97 S CB -0.347 62.888 63.200 0.059 0.000 0.768 97 S HN -0.028 nan 8.310 nan 0.000 0.520 98 T N 3.593 118.185 114.554 0.062 0.000 2.891 98 T HA 0.109 4.459 4.350 -0.000 0.000 0.296 98 T C 0.272 174.999 174.700 0.045 0.000 1.025 98 T CA 0.286 62.423 62.100 0.061 0.000 1.149 98 T CB 0.479 69.390 68.868 0.071 0.000 1.007 98 T HN 0.447 nan 8.240 nan 0.000 0.528 99 S N 2.976 118.700 115.700 0.040 0.000 2.562 99 S HA 0.100 4.570 4.470 -0.000 0.000 0.281 99 S C 1.438 176.056 174.600 0.030 0.000 1.333 99 S CA -0.970 57.249 58.200 0.032 0.000 1.052 99 S CB 0.201 63.417 63.200 0.027 0.000 0.884 99 S HN 0.650 nan 8.310 nan 0.000 0.506 100 L N 4.449 125.687 121.223 0.025 0.000 2.083 100 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 100 L C 2.633 179.516 176.870 0.022 0.000 1.083 100 L CA 2.435 57.289 54.840 0.023 0.000 0.752 100 L CB -1.418 40.653 42.059 0.020 0.000 0.899 100 L HN 0.997 nan 8.230 nan 0.000 0.433 101 Q N -1.436 118.376 119.800 0.020 0.000 2.181 101 Q HA -0.160 4.180 4.340 -0.000 0.000 0.205 101 Q C 1.916 177.928 176.000 0.020 0.000 0.980 101 Q CA 1.890 57.704 55.803 0.018 0.000 0.862 101 Q CB -0.734 28.014 28.738 0.016 0.000 0.905 101 Q HN 0.353 nan 8.270 nan 0.000 0.429 102 V N 1.147 121.075 119.914 0.024 0.000 2.307 102 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 102 V C 2.458 178.570 176.094 0.030 0.000 1.045 102 V CA 1.427 63.744 62.300 0.028 0.000 1.024 102 V CB -0.405 31.439 31.823 0.035 0.000 0.651 102 V HN 0.243 nan 8.190 nan 0.000 0.449 103 V N -0.152 119.781 119.914 0.032 0.000 2.287 103 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 103 V C 2.504 178.613 176.094 0.026 0.000 1.053 103 V CA 2.303 64.622 62.300 0.032 0.000 1.027 103 V CB -0.834 31.008 31.823 0.030 0.000 0.646 103 V HN 0.585 nan 8.190 nan 0.000 0.447 104 Q N -0.562 119.251 119.800 0.022 0.000 2.084 104 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 104 Q C 2.477 178.487 176.000 0.017 0.000 0.978 104 Q CA 1.855 57.669 55.803 0.018 0.000 0.844 104 Q CB -0.300 28.447 28.738 0.016 0.000 0.898 104 Q HN 0.417 nan 8.270 nan 0.000 0.426 105 R N 1.126 121.637 120.500 0.018 0.000 2.091 105 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 105 R C 1.898 178.210 176.300 0.019 0.000 1.136 105 R CA 1.482 57.592 56.100 0.017 0.000 0.959 105 R CB -0.597 29.713 30.300 0.016 0.000 0.856 105 R HN 0.263 nan 8.270 nan 0.000 0.437 106 L N 0.054 121.290 121.223 0.023 0.000 2.093 106 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 106 L C 2.475 179.356 176.870 0.018 0.000 1.085 106 L CA 1.412 56.267 54.840 0.024 0.000 0.755 106 L CB -0.443 41.635 42.059 0.031 0.000 0.904 106 L HN 0.305 nan 8.230 nan 0.000 0.435 107 Q N -0.191 119.619 119.800 0.017 0.000 2.224 107 Q HA -0.111 4.229 4.340 -0.000 0.000 0.203 107 Q C 2.289 178.292 176.000 0.006 0.000 0.970 107 Q CA 1.164 56.973 55.803 0.010 0.000 0.865 107 Q CB -0.305 28.441 28.738 0.012 0.000 0.922 107 Q HN 0.602 nan 8.270 nan 0.000 0.445 108 G N 0.887 109.693 108.800 0.010 0.000 2.470 108 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 108 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 108 G C 1.204 176.111 174.900 0.010 0.000 1.121 108 G CA 0.421 45.526 45.100 0.010 0.000 0.766 108 G HN 0.162 nan 8.290 nan 0.000 0.553 109 E N 0.082 120.290 120.200 0.013 0.000 2.479 109 E HA 0.170 4.520 4.350 -0.000 0.000 0.193 109 E C 1.737 178.324 176.600 -0.021 0.000 1.049 109 E CA 0.454 56.862 56.400 0.013 0.000 0.870 109 E CB 0.041 29.762 29.700 0.035 0.000 0.944 109 E HN 0.403 nan 8.360 nan 0.000 0.492 110 G N 1.015 109.801 108.800 -0.023 0.000 2.136 110 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.242 110 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.242 110 G C 0.389 175.261 174.900 -0.046 0.000 0.989 110 G CA 0.277 45.352 45.100 -0.042 0.000 0.682 110 G HN 0.481 nan 8.290 nan 0.000 0.522 111 A N -0.043 122.760 122.820 -0.027 0.000 2.303 111 A HA 0.774 5.094 4.320 -0.000 0.000 0.317 111 A C 0.367 177.953 177.584 0.003 0.000 1.149 111 A CA 0.183 52.206 52.037 -0.022 0.000 0.822 111 A CB 0.619 19.614 19.000 -0.008 0.000 1.131 111 A HN 1.020 nan 8.150 nan 0.000 0.493 112 E N 0.462 120.674 120.200 0.019 0.000 2.313 112 E HA 0.533 4.883 4.350 -0.000 0.000 0.272 112 E C -1.196 175.436 176.600 0.053 0.000 1.038 112 E CA -0.702 55.722 56.400 0.041 0.000 0.863 112 E CB 1.315 31.054 29.700 0.066 0.000 1.060 112 E HN 0.165 nan 8.360 nan 0.000 0.402 113 V N 2.794 122.737 119.914 0.049 0.000 2.376 113 V HA 0.161 4.281 4.120 -0.000 0.000 0.287 113 V C -0.583 175.542 176.094 0.050 0.000 1.015 113 V CA -0.705 61.626 62.300 0.052 0.000 0.834 113 V CB 1.016 32.865 31.823 0.044 0.000 1.001 113 V HN 0.682 nan 8.190 nan 0.000 0.428 114 Q N 4.797 124.631 119.800 0.056 0.000 2.303 114 Q HA 0.521 4.861 4.340 -0.000 0.000 0.257 114 Q C -1.183 174.838 176.000 0.034 0.000 0.941 114 Q CA -0.706 55.123 55.803 0.044 0.000 0.931 114 Q CB 1.972 30.739 28.738 0.049 0.000 1.215 114 Q HN 0.458 nan 8.270 nan 0.000 0.437 115 L N 3.751 124.990 121.223 0.027 0.000 2.255 115 L HA 0.430 4.770 4.340 -0.000 0.000 0.289 115 L C 0.155 177.031 176.870 0.009 0.000 1.046 115 L CA -0.033 54.821 54.840 0.023 0.000 0.816 115 L CB 0.203 42.279 42.059 0.027 0.000 1.197 115 L HN 0.674 nan 8.230 nan 0.000 0.427 116 T N -0.713 113.839 114.554 -0.003 0.000 2.952 116 T HA 0.823 5.173 4.350 -0.000 0.000 0.305 116 T C -0.044 174.638 174.700 -0.030 0.000 1.064 116 T CA -0.324 61.766 62.100 -0.018 0.000 1.008 116 T CB 2.398 71.248 68.868 -0.030 0.000 1.078 116 T HN 1.073 nan 8.240 nan 0.000 0.459 117 G N 1.740 110.525 108.800 -0.024 0.000 2.675 117 G HA2 0.039 3.999 3.960 -0.000 0.000 0.686 117 G HA3 0.039 3.999 3.960 -0.000 0.000 0.686 117 G C -0.072 174.827 174.900 -0.001 0.000 1.215 117 G CA 0.018 45.102 45.100 -0.026 0.000 0.777 117 G HN 0.982 nan 8.290 nan 0.000 0.638 118 K N -0.383 120.021 120.400 0.007 0.000 2.166 118 K HA 0.454 4.774 4.320 -0.000 0.000 0.201 118 K C 1.213 177.840 176.600 0.046 0.000 1.052 118 K CA 1.388 57.690 56.287 0.024 0.000 0.969 118 K CB 0.242 32.755 32.500 0.021 0.000 0.761 118 K HN 1.209 nan 8.250 nan 0.000 0.459 119 V N -0.085 119.858 119.914 0.048 0.000 2.881 119 V HA 0.226 4.346 4.120 -0.000 0.000 0.316 119 V C 0.160 176.322 176.094 0.112 0.000 1.070 119 V CA -1.004 61.353 62.300 0.095 0.000 0.976 119 V CB 1.395 33.272 31.823 0.090 0.000 1.038 119 V HN 0.532 nan 8.190 nan 0.000 0.446 120 W N 2.986 124.298 121.300 0.020 0.000 2.321 120 W HA -0.183 4.477 4.660 -0.000 0.000 0.306 120 W C 1.781 178.314 176.519 0.022 0.000 1.217 120 W CA 2.189 59.548 57.345 0.023 0.000 1.257 120 W CB 0.019 29.496 29.460 0.028 0.000 1.145 120 W HN 0.864 nan 8.180 nan 0.000 0.509 121 D N 0.116 120.514 120.400 -0.003 0.000 2.133 121 D HA -0.255 4.385 4.640 -0.000 0.000 0.192 121 D C 1.827 177.923 176.300 -0.341 0.000 1.001 121 D CA 2.271 56.137 54.000 -0.222 0.000 0.844 121 D CB -0.585 40.225 40.800 0.016 0.000 0.944 121 D HN 0.449 nan 8.370 nan 0.000 0.447 122 E N 0.709 120.790 120.200 -0.199 0.000 2.058 122 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 122 E C 2.169 178.626 176.600 -0.239 0.000 0.997 122 E CA 1.082 57.380 56.400 -0.170 0.000 0.801 122 E CB -0.092 29.553 29.700 -0.092 0.000 0.746 122 E HN 0.212 nan 8.360 nan 0.000 0.450 123 A N 1.532 124.168 122.820 -0.306 0.000 1.902 123 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 123 A C 1.978 179.312 177.584 -0.418 0.000 1.181 123 A CA 1.892 53.746 52.037 -0.304 0.000 0.623 123 A CB -0.673 18.163 19.000 -0.272 0.000 0.818 123 A HN 0.193 nan 8.150 nan 0.000 0.443 124 N N -0.406 117.830 118.700 -0.773 0.000 2.084 124 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 124 N C 1.414 176.706 175.510 -0.365 0.000 1.030 124 N CA 1.467 54.078 53.050 -0.733 0.000 0.849 124 N CB -0.352 37.328 38.487 -1.346 0.000 1.012 124 N HN 0.245 nan 8.380 nan 0.000 0.423 125 L N 0.633 121.669 121.223 -0.313 0.000 2.042 125 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 125 L C 2.435 179.220 176.870 -0.142 0.000 1.076 125 L CA 1.310 56.043 54.840 -0.179 0.000 0.749 125 L CB -0.923 41.050 42.059 -0.144 0.000 0.893 125 L HN 0.190 nan 8.230 nan 0.000 0.432 126 R N 0.098 120.507 120.500 -0.152 0.000 2.096 126 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 126 R C 2.146 178.392 176.300 -0.090 0.000 1.127 126 R CA 1.644 57.676 56.100 -0.114 0.000 0.968 126 R CB -0.742 29.495 30.300 -0.105 0.000 0.861 126 R HN 0.332 nan 8.270 nan 0.000 0.440 127 A N 0.257 123.024 122.820 -0.089 0.000 1.902 127 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 127 A C 2.074 179.653 177.584 -0.007 0.000 1.181 127 A CA 1.587 53.611 52.037 -0.022 0.000 0.623 127 A CB -0.478 18.507 19.000 -0.026 0.000 0.818 127 A HN 0.555 nan 8.150 nan 0.000 0.443 128 Q N -0.803 118.970 119.800 -0.045 0.000 2.119 128 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 128 Q C 1.993 177.968 176.000 -0.042 0.000 0.972 128 Q CA 1.186 56.972 55.803 -0.028 0.000 0.847 128 Q CB -0.151 28.561 28.738 -0.043 0.000 0.903 128 Q HN 0.551 nan 8.270 nan 0.000 0.433 129 E N 1.004 121.160 120.200 -0.074 0.000 2.038 129 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 129 E C 2.080 178.589 176.600 -0.151 0.000 1.000 129 E CA 1.013 57.351 56.400 -0.103 0.000 0.803 129 E CB -0.215 29.416 29.700 -0.113 0.000 0.750 129 E HN 0.365 nan 8.360 nan 0.000 0.448 130 L N 0.307 121.427 121.223 -0.171 0.000 2.079 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 130 L C 2.446 179.188 176.870 -0.213 0.000 1.081 130 L CA 1.125 55.760 54.840 -0.341 0.000 0.752 130 L CB -0.492 41.422 42.059 -0.241 0.000 0.896 130 L HN 0.056 nan 8.230 nan 0.000 0.433 131 A N -0.188 122.649 122.820 0.028 0.000 2.125 131 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 131 A C 2.257 179.874 177.584 0.056 0.000 1.156 131 A CA 1.267 53.389 52.037 0.142 0.000 0.671 131 A CB -0.310 18.764 19.000 0.124 0.000 0.794 131 A HN 0.346 nan 8.150 nan 0.000 0.459 132 K N -0.123 120.250 120.400 -0.045 0.000 2.211 132 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 132 K C 0.626 177.178 176.600 -0.080 0.000 1.050 132 K CA 0.364 56.618 56.287 -0.055 0.000 0.945 132 K CB -0.066 32.386 32.500 -0.081 0.000 0.732 132 K HN 0.455 nan 8.250 nan 0.000 0.451 133 R N 1.445 121.830 120.500 -0.192 0.000 2.817 133 R HA -0.094 4.246 4.340 -0.000 0.000 0.264 133 R C 0.773 177.061 176.300 -0.020 0.000 1.009 133 R CA -0.046 55.906 56.100 -0.246 0.000 1.133 133 R CB 0.196 30.055 30.300 -0.735 0.000 1.013 133 R HN 0.116 nan 8.270 nan 0.000 0.453 134 D N 1.333 121.746 120.400 0.022 0.000 2.144 134 D HA -0.155 4.485 4.640 -0.000 0.000 0.247 134 D C 1.573 177.983 176.300 0.182 0.000 1.166 134 D CA 2.138 56.194 54.000 0.092 0.000 1.014 134 D CB -0.470 40.375 40.800 0.076 0.000 1.532 134 D HN 0.660 nan 8.370 nan 0.000 0.551 135 G N -1.495 107.446 108.800 0.235 0.000 2.843 135 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.205 135 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.205 135 G C -0.460 174.580 174.900 0.233 0.000 1.160 135 G CA -0.177 45.040 45.100 0.196 0.000 0.819 135 G HN 0.179 nan 8.290 nan 0.000 0.516 136 W N 0.521 121.834 121.300 0.022 0.000 2.365 136 W HA 0.597 5.257 4.660 -0.000 0.000 0.316 136 W C -0.005 176.536 176.519 0.036 0.000 1.164 136 W CA -0.827 56.541 57.345 0.037 0.000 1.204 136 W CB 1.109 30.560 29.460 -0.015 0.000 1.213 136 W HN -0.138 nan 8.180 nan 0.000 0.539 137 E N 1.921 122.252 120.200 0.220 0.000 2.256 137 E HA 0.130 4.480 4.350 -0.000 0.000 0.268 137 E C -1.113 175.608 176.600 0.203 0.000 0.877 137 E CA -1.006 55.501 56.400 0.180 0.000 0.757 137 E CB 2.042 31.806 29.700 0.106 0.000 1.183 137 E HN 0.497 nan 8.360 nan 0.000 0.418 138 N N 1.693 120.506 118.700 0.188 0.000 2.444 138 N HA 0.191 4.931 4.740 -0.000 0.000 0.271 138 N C -0.708 174.828 175.510 0.043 0.000 1.069 138 N CA -0.353 52.769 53.050 0.119 0.000 0.965 138 N CB 0.878 39.410 38.487 0.075 0.000 1.092 138 N HN 0.055 nan 8.380 nan 0.000 0.476 139 V N 6.230 126.124 119.914 -0.032 0.000 2.389 139 V HA 0.259 4.379 4.120 -0.000 0.000 0.264 139 V C -1.766 174.099 176.094 -0.381 0.000 1.049 139 V CA -1.243 60.880 62.300 -0.295 0.000 0.932 139 V CB 0.632 32.390 31.823 -0.109 0.000 1.011 139 V HN 0.689 nan 8.190 nan 0.000 0.475 140 P HA 0.275 nan 4.420 nan 0.000 0.285 140 P C -2.125 174.970 177.300 -0.343 0.000 1.259 140 P CA -1.822 61.016 63.100 -0.437 0.000 0.794 140 P CB 1.469 32.881 31.700 -0.481 0.000 0.940 141 P HA -0.093 nan 4.420 nan 0.000 0.221 141 P C 0.676 178.079 177.300 0.171 0.000 1.150 141 P CA 1.390 64.495 63.100 0.009 0.000 0.800 141 P CB -0.095 31.689 31.700 0.140 0.000 0.787 142 F N -2.985 117.012 119.950 0.078 0.000 2.706 142 F HA 0.414 4.941 4.527 -0.000 0.000 0.370 142 F C 0.026 176.014 175.800 0.313 0.000 0.828 142 F CA -0.554 57.578 58.000 0.219 0.000 1.028 142 F CB -0.768 38.373 39.000 0.236 0.000 0.981 142 F HN -0.353 nan 8.300 nan 0.000 0.617 143 D N 2.387 122.567 120.400 -0.368 0.000 2.517 143 D HA 0.206 4.846 4.640 -0.000 0.000 0.220 143 D C -1.005 175.238 176.300 -0.093 0.000 1.158 143 D CA 0.840 54.868 54.000 0.047 0.000 0.992 143 D CB -0.449 40.251 40.800 -0.166 0.000 1.058 143 D HN 0.506 nan 8.370 nan 0.000 0.516 144 H N 2.357 121.069 119.070 -0.596 0.000 3.136 144 H HA 0.123 4.679 4.556 -0.000 0.000 0.313 144 H C -2.418 171.936 175.328 -1.622 0.000 1.103 144 H CA -0.906 54.623 56.048 -0.866 0.000 1.437 144 H CB 1.772 31.263 29.762 -0.452 0.000 2.063 144 H HN 0.016 nan 8.280 nan 0.000 0.495 145 P HA -0.133 nan 4.420 nan 0.000 0.216 145 P C 1.851 179.029 177.300 -0.202 0.000 1.154 145 P CA 1.309 63.935 63.100 -0.790 0.000 0.865 145 P CB 0.351 31.818 31.700 -0.388 0.000 0.789 146 L N -1.631 119.713 121.223 0.202 0.000 2.131 146 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 146 L C 2.267 179.238 176.870 0.168 0.000 1.092 146 L CA 1.029 56.019 54.840 0.249 0.000 0.759 146 L CB -0.716 41.461 42.059 0.196 0.000 0.903 146 L HN -0.022 nan 8.230 nan 0.000 0.435 147 I N -0.834 119.707 120.570 -0.048 0.000 2.202 147 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 147 I C 2.417 178.426 176.117 -0.181 0.000 1.091 147 I CA 1.524 62.701 61.300 -0.205 0.000 1.368 147 I CB -1.164 36.681 38.000 -0.258 0.000 1.058 147 I HN 0.410 nan 8.210 nan 0.000 0.410 148 W N 1.265 122.579 121.300 0.024 0.000 2.358 148 W HA -0.144 4.516 4.660 -0.000 0.000 0.303 148 W C 2.504 179.050 176.519 0.045 0.000 1.208 148 W CA 0.354 57.742 57.345 0.072 0.000 1.274 148 W CB -1.397 28.122 29.460 0.099 0.000 1.138 148 W HN 0.112 nan 8.180 nan 0.000 0.515 149 K N 0.653 121.184 120.400 0.219 0.000 2.063 149 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 149 K C 2.228 178.791 176.600 -0.062 0.000 1.048 149 K CA 1.844 58.177 56.287 0.077 0.000 0.928 149 K CB -1.095 31.445 32.500 0.066 0.000 0.713 149 K HN 0.198 nan 8.250 nan 0.000 0.442 150 G N 0.520 109.292 108.800 -0.047 0.000 2.433 150 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 150 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 150 G C 1.380 176.279 174.900 -0.003 0.000 1.186 150 G CA 0.817 45.865 45.100 -0.087 0.000 0.779 150 G HN 0.372 nan 8.290 nan 0.000 0.543 151 H N 1.136 120.258 119.070 0.087 0.000 2.387 151 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 151 H C 2.918 178.249 175.328 0.005 0.000 1.099 151 H CA 0.994 57.096 56.048 0.090 0.000 1.315 151 H CB -0.899 28.985 29.762 0.204 0.000 1.380 151 H HN 0.365 nan 8.280 nan 0.000 0.513 152 A N 1.002 123.905 122.820 0.138 0.000 2.009 152 A HA -0.274 4.046 4.320 -0.000 0.000 0.222 152 A C 2.696 180.264 177.584 -0.026 0.000 1.175 152 A CA 2.439 54.499 52.037 0.039 0.000 0.651 152 A CB -0.916 18.095 19.000 0.018 0.000 0.815 152 A HN 0.615 nan 8.150 nan 0.000 0.459 153 S N -0.145 115.521 115.700 -0.057 0.000 2.402 153 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 153 S C 1.877 176.444 174.600 -0.055 0.000 1.030 153 S CA 1.498 59.652 58.200 -0.077 0.000 1.003 153 S CB -0.844 62.252 63.200 -0.172 0.000 0.813 153 S HN 0.626 nan 8.310 nan 0.000 0.477 154 L N 1.170 122.363 121.223 -0.049 0.000 2.042 154 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 154 L C 2.443 179.296 176.870 -0.028 0.000 1.076 154 L CA 1.542 56.369 54.840 -0.021 0.000 0.749 154 L CB -0.374 41.674 42.059 -0.018 0.000 0.893 154 L HN 0.261 nan 8.230 nan 0.000 0.432 155 V N -0.288 119.594 119.914 -0.054 0.000 2.427 155 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 155 V C 2.606 178.576 176.094 -0.207 0.000 1.051 155 V CA 1.451 63.690 62.300 -0.101 0.000 1.048 155 V CB -0.634 31.117 31.823 -0.119 0.000 0.666 155 V HN 0.517 nan 8.190 nan 0.000 0.456 156 Q N 0.228 119.928 119.800 -0.167 0.000 2.061 156 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 156 Q C 2.242 178.168 176.000 -0.123 0.000 0.984 156 Q CA 1.912 57.610 55.803 -0.175 0.000 0.846 156 Q CB -0.364 28.314 28.738 -0.100 0.000 0.902 156 Q HN 0.731 nan 8.270 nan 0.000 0.421 157 E N 0.028 120.198 120.200 -0.050 0.000 2.153 157 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 157 E C 1.990 178.591 176.600 0.002 0.000 0.988 157 E CA 0.447 56.845 56.400 -0.003 0.000 0.811 157 E CB -0.002 29.722 29.700 0.040 0.000 0.746 157 E HN 0.099 nan 8.360 nan 0.000 0.466 158 L N 1.487 122.709 121.223 -0.002 0.000 2.027 158 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 158 L C 2.244 179.190 176.870 0.127 0.000 1.074 158 L CA 1.641 56.531 54.840 0.083 0.000 0.745 158 L CB -0.621 41.541 42.059 0.173 0.000 0.898 158 L HN -0.035 nan 8.230 nan 0.000 0.433 159 K N -0.380 119.950 120.400 -0.116 0.000 2.147 159 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 159 K C 1.921 178.524 176.600 0.005 0.000 1.049 159 K CA 1.296 57.479 56.287 -0.174 0.000 0.936 159 K CB -0.002 32.114 32.500 -0.640 0.000 0.722 159 K HN 0.316 nan 8.250 nan 0.000 0.446 160 A N 0.387 123.192 122.820 -0.024 0.000 1.873 160 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 160 A C 2.382 179.984 177.584 0.030 0.000 1.186 160 A CA 1.544 53.582 52.037 0.002 0.000 0.616 160 A CB -0.511 18.486 19.000 -0.005 0.000 0.823 160 A HN 0.103 nan 8.150 nan 0.000 0.442 161 V N 0.092 120.028 119.914 0.036 0.000 2.256 161 V HA -0.047 4.073 4.120 -0.000 0.000 0.240 161 V C 1.164 177.269 176.094 0.018 0.000 1.036 161 V CA 0.972 63.289 62.300 0.029 0.000 1.008 161 V CB -0.731 31.107 31.823 0.025 0.000 0.648 161 V HN 0.456 nan 8.190 nan 0.000 0.453 162 L N 3.165 124.402 121.223 0.023 0.000 2.401 162 L HA 0.196 4.536 4.340 -0.000 0.000 0.283 162 L C 1.958 178.896 176.870 0.114 0.000 1.151 162 L CA -0.347 54.484 54.840 -0.014 0.000 0.942 162 L CB 0.286 42.288 42.059 -0.096 0.000 1.283 162 L HN 0.395 nan 8.230 nan 0.000 0.442 163 R N 0.959 121.505 120.500 0.077 0.000 2.153 163 R HA -0.142 4.198 4.340 -0.000 0.000 0.252 163 R C 0.629 177.040 176.300 0.183 0.000 1.158 163 R CA 1.585 57.756 56.100 0.117 0.000 0.975 163 R CB -1.633 28.705 30.300 0.063 0.000 0.871 163 R HN 0.550 nan 8.270 nan 0.000 0.450 164 T N -1.208 113.389 114.554 0.071 0.000 2.895 164 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 164 T C -2.782 171.723 174.700 -0.325 0.000 1.014 164 T CA -2.653 59.425 62.100 -0.036 0.000 1.037 164 T CB 2.437 71.258 68.868 -0.078 0.000 1.006 164 T HN -0.070 nan 8.240 nan 0.000 0.468 165 P HA 0.184 nan 4.420 nan 0.000 0.265 165 P C -2.207 174.653 177.300 -0.735 0.000 1.187 165 P CA -0.768 61.484 63.100 -1.413 0.000 0.766 165 P CB -0.222 30.734 31.700 -1.239 0.000 0.820 166 P HA 0.097 nan 4.420 nan 0.000 0.278 166 P C 0.767 177.933 177.300 -0.223 0.000 1.258 166 P CA -0.259 62.649 63.100 -0.321 0.000 0.811 166 P CB 0.937 32.502 31.700 -0.225 0.000 1.063 167 G N 0.325 109.053 108.800 -0.120 0.000 2.422 167 G HA2 0.217 4.177 3.960 -0.000 0.000 0.218 167 G HA3 0.217 4.177 3.960 -0.000 0.000 0.218 167 G C 0.445 175.316 174.900 -0.048 0.000 1.140 167 G CA 0.903 45.957 45.100 -0.077 0.000 0.775 167 G HN 0.899 nan 8.290 nan 0.000 0.545 168 A N -1.627 121.172 122.820 -0.035 0.000 2.601 168 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 168 A C -2.167 175.419 177.584 0.004 0.000 1.075 168 A CA -0.540 51.495 52.037 -0.002 0.000 0.671 168 A CB 1.323 20.332 19.000 0.014 0.000 1.277 168 A HN 0.498 nan 8.150 nan 0.000 0.417 169 L N 0.881 122.116 121.223 0.020 0.000 2.385 169 L HA 0.764 5.104 4.340 -0.000 0.000 0.273 169 L C -1.243 175.635 176.870 0.012 0.000 0.990 169 L CA -0.438 54.414 54.840 0.019 0.000 0.821 169 L CB 2.064 44.139 42.059 0.027 0.000 1.279 169 L HN 0.549 nan 8.230 nan 0.000 0.412 170 V N 6.063 125.977 119.914 -0.001 0.000 2.409 170 V HA 0.634 4.754 4.120 -0.000 0.000 0.291 170 V C -0.487 175.583 176.094 -0.040 0.000 1.020 170 V CA -0.623 61.671 62.300 -0.011 0.000 0.848 170 V CB 1.518 33.333 31.823 -0.013 0.000 0.990 170 V HN 0.670 nan 8.190 nan 0.000 0.430 171 L N 2.743 123.932 121.223 -0.056 0.000 2.415 171 L HA 1.042 5.382 4.340 -0.000 0.000 0.256 171 L C -0.333 176.483 176.870 -0.091 0.000 1.010 171 L CA -0.766 54.008 54.840 -0.110 0.000 0.826 171 L CB 1.573 43.521 42.059 -0.184 0.000 1.405 171 L HN 0.622 nan 8.230 nan 0.000 0.410 172 A N 1.105 123.858 122.820 -0.112 0.000 2.264 172 A HA 0.788 5.108 4.320 -0.000 0.000 0.304 172 A C -0.518 176.997 177.584 -0.114 0.000 1.100 172 A CA -0.535 51.460 52.037 -0.071 0.000 0.839 172 A CB 1.336 20.312 19.000 -0.041 0.000 1.121 172 A HN 0.622 nan 8.150 nan 0.000 0.496 173 V N 0.911 120.776 119.914 -0.082 0.000 2.482 173 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 173 V C 0.914 176.930 176.094 -0.131 0.000 1.026 173 V CA 0.207 62.417 62.300 -0.150 0.000 0.856 173 V CB 1.061 32.772 31.823 -0.186 0.000 1.001 173 V HN 1.196 nan 8.190 nan 0.000 0.424 174 G N 3.332 112.021 108.800 -0.186 0.000 2.680 174 G HA2 0.289 4.249 3.960 -0.000 0.000 0.224 174 G HA3 0.289 4.249 3.960 -0.000 0.000 0.224 174 G C 1.154 175.791 174.900 -0.438 0.000 1.454 174 G CA 0.796 45.763 45.100 -0.221 0.000 0.900 174 G HN 0.890 nan 8.290 nan 0.000 0.570 175 G N -1.188 107.105 108.800 -0.845 0.000 3.044 175 G HA2 0.414 4.373 3.960 -0.000 0.000 0.223 175 G HA3 0.414 4.373 3.960 -0.000 0.000 0.223 175 G C 1.030 175.419 174.900 -0.852 0.000 1.123 175 G CA 0.769 44.920 45.100 -1.582 0.000 0.765 175 G HN 1.712 nan 8.290 nan 0.000 0.546 176 G N -0.778 107.723 108.800 -0.497 0.000 2.163 176 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.213 176 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.213 176 G C 1.297 176.152 174.900 -0.075 0.000 0.991 176 G CA 0.618 45.518 45.100 -0.333 0.000 0.653 176 G HN 0.921 nan 8.290 nan 0.000 0.518 177 G N 0.754 109.675 108.800 0.201 0.000 2.480 177 G HA2 0.020 3.980 3.960 -0.000 0.000 0.216 177 G HA3 0.020 3.980 3.960 -0.000 0.000 0.216 177 G C 1.763 176.921 174.900 0.431 0.000 1.200 177 G CA 1.705 47.150 45.100 0.575 0.000 0.782 177 G HN 1.081 nan 8.290 nan 0.000 0.554 178 L N 0.382 121.691 121.223 0.144 0.000 2.083 178 L HA 0.088 4.428 4.340 -0.000 0.000 0.209 178 L C 2.543 179.303 176.870 -0.183 0.000 1.083 178 L CA 1.291 56.002 54.840 -0.216 0.000 0.752 178 L CB -0.442 41.206 42.059 -0.686 0.000 0.899 178 L HN 0.253 nan 8.230 nan 0.000 0.433 179 L N -0.855 120.239 121.223 -0.215 0.000 1.976 179 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 179 L C 2.553 179.282 176.870 -0.234 0.000 1.071 179 L CA 1.678 56.363 54.840 -0.258 0.000 0.746 179 L CB -0.634 41.184 42.059 -0.402 0.000 0.890 179 L HN 0.383 nan 8.230 nan 0.000 0.432 180 A N -0.211 122.408 122.820 -0.336 0.000 1.948 180 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 180 A C 2.226 179.679 177.584 -0.219 0.000 1.177 180 A CA 1.838 53.568 52.037 -0.511 0.000 0.636 180 A CB -1.316 16.883 19.000 -1.335 0.000 0.815 180 A HN 0.597 nan 8.150 nan 0.000 0.449 181 G N -0.266 108.542 108.800 0.013 0.000 2.414 181 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 181 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 181 G C 1.654 176.593 174.900 0.065 0.000 1.188 181 G CA 1.978 47.199 45.100 0.201 0.000 0.783 181 G HN 1.044 nan 8.290 nan 0.000 0.537 182 V N -0.883 119.020 119.914 -0.018 0.000 2.427 182 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 182 V C 2.676 178.752 176.094 -0.031 0.000 1.051 182 V CA 1.678 63.958 62.300 -0.033 0.000 1.048 182 V CB -0.759 31.027 31.823 -0.062 0.000 0.666 182 V HN 0.134 nan 8.190 nan 0.000 0.456 183 V N 1.235 121.113 119.914 -0.060 0.000 2.343 183 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 183 V C 3.156 179.224 176.094 -0.043 0.000 1.051 183 V CA 2.340 64.603 62.300 -0.062 0.000 1.036 183 V CB -1.369 30.390 31.823 -0.106 0.000 0.654 183 V HN 0.689 nan 8.190 nan 0.000 0.451 184 A N 0.517 123.321 122.820 -0.027 0.000 1.865 184 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 184 A C 2.462 180.038 177.584 -0.013 0.000 1.191 184 A CA 2.133 54.175 52.037 0.009 0.000 0.623 184 A CB -1.429 17.621 19.000 0.084 0.000 0.826 184 A HN 0.524 nan 8.150 nan 0.000 0.444 185 G N -0.178 108.611 108.800 -0.018 0.000 2.446 185 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 185 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 185 G C 1.574 176.411 174.900 -0.105 0.000 1.168 185 G CA 1.131 46.192 45.100 -0.065 0.000 0.771 185 G HN 0.435 nan 8.290 nan 0.000 0.551 186 L N -0.113 121.078 121.223 -0.053 0.000 2.012 186 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 186 L C 2.974 179.814 176.870 -0.050 0.000 1.073 186 L CA 0.749 55.581 54.840 -0.012 0.000 0.748 186 L CB -0.475 41.620 42.059 0.059 0.000 0.891 186 L HN 0.202 nan 8.230 nan 0.000 0.431 187 L N -0.566 120.626 121.223 -0.052 0.000 2.046 187 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 187 L C 2.606 179.435 176.870 -0.068 0.000 1.077 187 L CA 1.358 56.165 54.840 -0.054 0.000 0.747 187 L CB -0.529 41.507 42.059 -0.038 0.000 0.896 187 L HN 0.314 nan 8.230 nan 0.000 0.432 188 E N -0.202 119.948 120.200 -0.085 0.000 2.058 188 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 188 E C 1.939 178.447 176.600 -0.154 0.000 0.997 188 E CA 1.829 58.168 56.400 -0.101 0.000 0.801 188 E CB -0.103 29.536 29.700 -0.102 0.000 0.746 188 E HN 0.490 nan 8.360 nan 0.000 0.450 189 V N -2.532 117.224 119.914 -0.263 0.000 3.623 189 V HA 0.341 4.461 4.120 -0.000 0.000 0.271 189 V C 1.120 177.023 176.094 -0.318 0.000 1.248 189 V CA 0.510 62.562 62.300 -0.413 0.000 1.156 189 V CB -0.278 31.033 31.823 -0.854 0.000 0.870 189 V HN 0.325 nan 8.190 nan 0.000 0.453 190 G N -0.622 108.105 108.800 -0.122 0.000 2.182 190 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 190 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 190 G C -0.291 174.773 174.900 0.272 0.000 1.042 190 G CA 0.300 45.428 45.100 0.047 0.000 0.775 190 G HN 0.626 nan 8.290 nan 0.000 0.501 191 W N 0.447 121.701 121.300 -0.077 0.000 2.764 191 W HA 0.453 5.113 4.660 -0.000 0.000 0.427 191 W C 1.404 177.828 176.519 -0.158 0.000 0.896 191 W CA -0.650 56.650 57.345 -0.076 0.000 2.307 191 W CB -0.226 29.206 29.460 -0.046 0.000 1.192 191 W HN 0.381 nan 8.180 nan 0.000 0.731 192 Q N -0.885 118.849 119.800 -0.110 0.000 2.376 192 Q HA -0.208 4.132 4.340 -0.000 0.000 0.211 192 Q C 0.932 176.729 176.000 -0.338 0.000 0.986 192 Q CA 1.628 57.262 55.803 -0.283 0.000 0.886 192 Q CB -0.591 27.891 28.738 -0.428 0.000 0.927 192 Q HN 0.488 nan 8.270 nan 0.000 0.457 193 H N -1.721 117.387 119.070 0.064 0.000 2.551 193 H HA 0.238 4.794 4.556 -0.000 0.000 0.271 193 H C -0.286 175.041 175.328 -0.001 0.000 0.984 193 H CA -0.474 55.586 56.048 0.020 0.000 1.164 193 H CB 0.656 30.421 29.762 0.005 0.000 1.437 193 H HN -0.064 nan 8.280 nan 0.000 0.550 194 V N 5.417 125.370 119.914 0.065 0.000 2.479 194 V HA 0.051 4.171 4.120 -0.000 0.000 0.281 194 V C -1.738 174.376 176.094 0.035 0.000 1.031 194 V CA -1.526 60.786 62.300 0.020 0.000 1.038 194 V CB 0.585 32.411 31.823 0.004 0.000 0.981 194 V HN 0.184 nan 8.190 nan 0.000 0.478 195 P HA 0.299 nan 4.420 nan 0.000 0.271 195 P C -0.694 176.644 177.300 0.062 0.000 1.218 195 P CA -0.101 63.032 63.100 0.055 0.000 0.780 195 P CB 1.178 32.953 31.700 0.125 0.000 0.901 196 I N 2.884 123.482 120.570 0.046 0.000 2.406 196 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 196 I C 0.076 176.255 176.117 0.105 0.000 0.999 196 I CA -1.022 60.309 61.300 0.051 0.000 1.124 196 I CB 1.451 39.458 38.000 0.013 0.000 1.289 196 I HN 0.123 nan 8.210 nan 0.000 0.441 197 I N 6.275 126.907 120.570 0.103 0.000 2.287 197 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 197 I C 0.547 176.712 176.117 0.080 0.000 1.069 197 I CA 0.012 61.385 61.300 0.121 0.000 1.237 197 I CB 1.171 39.214 38.000 0.071 0.000 1.418 197 I HN 0.538 nan 8.210 nan 0.000 0.481 198 A N 8.045 130.937 122.820 0.119 0.000 2.343 198 A HA 0.646 4.966 4.320 -0.000 0.000 0.305 198 A C 0.069 177.723 177.584 0.118 0.000 1.308 198 A CA -0.528 51.583 52.037 0.122 0.000 0.949 198 A CB -0.082 19.085 19.000 0.278 0.000 1.148 198 A HN 0.510 nan 8.150 nan 0.000 0.545 199 M N 1.940 121.576 119.600 0.061 0.000 2.277 199 M HA 0.486 4.966 4.480 -0.000 0.000 0.350 199 M C 0.176 176.514 176.300 0.064 0.000 1.180 199 M CA 0.261 55.594 55.300 0.055 0.000 1.103 199 M CB 0.554 33.170 32.600 0.028 0.000 1.577 199 M HN 0.760 nan 8.290 nan 0.000 0.459 200 E N 0.173 120.419 120.200 0.077 0.000 2.413 200 E HA 0.470 4.820 4.350 -0.000 0.000 0.277 200 E C -0.998 175.657 176.600 0.092 0.000 0.958 200 E CA -0.630 55.825 56.400 0.093 0.000 0.779 200 E CB 2.493 32.281 29.700 0.146 0.000 1.278 200 E HN 0.705 nan 8.360 nan 0.000 0.456 201 T N -1.748 112.869 114.554 0.105 0.000 2.859 201 T HA 0.271 4.620 4.350 -0.000 0.000 0.281 201 T C -0.112 174.710 174.700 0.204 0.000 1.005 201 T CA -0.713 61.455 62.100 0.114 0.000 1.025 201 T CB 1.007 69.920 68.868 0.076 0.000 0.977 201 T HN 0.525 nan 8.240 nan 0.000 0.458 202 H N 0.868 119.959 119.070 0.036 0.000 3.046 202 H HA 0.347 4.903 4.556 -0.000 0.000 0.303 202 H C 1.517 176.929 175.328 0.140 0.000 1.002 202 H CA 0.994 57.042 56.048 -0.000 0.000 1.460 202 H CB -0.336 29.377 29.762 -0.081 0.000 1.493 202 H HN 1.155 nan 8.280 nan 0.000 0.559 203 G N 2.733 111.782 108.800 0.416 0.000 2.231 203 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.206 203 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.206 203 G C 0.273 175.235 174.900 0.104 0.000 0.996 203 G CA -0.104 45.080 45.100 0.141 0.000 0.645 203 G HN 0.953 nan 8.290 nan 0.000 0.498 204 A N 0.946 123.871 122.820 0.175 0.000 2.897 204 A HA 0.587 4.907 4.320 -0.000 0.000 0.230 204 A C 0.332 177.947 177.584 0.052 0.000 0.896 204 A CA 0.504 52.554 52.037 0.021 0.000 1.114 204 A CB -0.347 18.662 19.000 0.015 0.000 1.230 204 A HN 1.099 nan 8.150 nan 0.000 0.481 205 H N -0.981 118.124 119.070 0.058 0.000 2.533 205 H HA 0.138 4.694 4.556 -0.000 0.000 0.281 205 H C 1.262 176.631 175.328 0.069 0.000 1.238 205 H CA 0.259 56.350 56.048 0.071 0.000 1.024 205 H CB -1.301 28.512 29.762 0.085 0.000 1.604 205 H HN 0.563 nan 8.280 nan 0.000 0.531 206 C N -1.225 118.012 119.300 -0.105 0.000 2.413 206 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 206 C C 2.355 177.400 174.990 0.092 0.000 1.265 206 C CA 0.206 59.191 59.018 -0.055 0.000 1.752 206 C CB -1.822 25.889 27.740 -0.049 0.000 1.998 206 C HN 0.538 nan 8.230 nan 0.000 0.489 207 F N 3.431 123.354 119.950 -0.044 0.000 2.075 207 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 207 F C 2.304 178.108 175.800 0.007 0.000 1.113 207 F CA 2.080 60.063 58.000 -0.028 0.000 1.218 207 F CB -1.264 37.710 39.000 -0.043 0.000 0.984 207 F HN 0.293 nan 8.300 nan 0.000 0.472 208 N N 0.274 118.955 118.700 -0.032 0.000 2.069 208 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 208 N C 1.944 177.420 175.510 -0.057 0.000 1.031 208 N CA 1.916 54.886 53.050 -0.133 0.000 0.852 208 N CB -0.541 37.954 38.487 0.014 0.000 1.018 208 N HN 0.333 nan 8.380 nan 0.000 0.423 209 A N 0.313 123.180 122.820 0.079 0.000 1.892 209 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 209 A C 2.359 179.947 177.584 0.008 0.000 1.188 209 A CA 2.236 54.322 52.037 0.082 0.000 0.631 209 A CB -1.437 17.611 19.000 0.080 0.000 0.822 209 A HN 0.500 nan 8.150 nan 0.000 0.447 210 A N -0.063 122.753 122.820 -0.008 0.000 1.877 210 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 210 A C 2.044 179.587 177.584 -0.068 0.000 1.186 210 A CA 1.585 53.617 52.037 -0.010 0.000 0.620 210 A CB -0.539 18.489 19.000 0.047 0.000 0.822 210 A HN 0.428 nan 8.150 nan 0.000 0.443 211 I N 0.304 120.764 120.570 -0.183 0.000 2.118 211 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 211 I C 2.571 178.615 176.117 -0.121 0.000 1.070 211 I CA 2.265 63.434 61.300 -0.219 0.000 1.327 211 I CB -2.077 35.698 38.000 -0.376 0.000 1.034 211 I HN 0.267 nan 8.210 nan 0.000 0.405 212 T N 1.424 115.919 114.554 -0.099 0.000 2.652 212 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 212 T C 1.902 176.582 174.700 -0.033 0.000 1.039 212 T CA 1.789 63.854 62.100 -0.057 0.000 1.153 212 T CB -0.365 68.481 68.868 -0.036 0.000 0.863 212 T HN 0.494 nan 8.240 nan 0.000 0.428 213 A N 0.332 123.139 122.820 -0.021 0.000 2.168 213 A HA 0.426 4.746 4.320 -0.000 0.000 0.215 213 A C 2.002 179.581 177.584 -0.009 0.000 1.152 213 A CA 1.116 53.149 52.037 -0.006 0.000 0.716 213 A CB -0.980 18.024 19.000 0.007 0.000 0.794 213 A HN 0.857 nan 8.150 nan 0.000 0.465 214 G N -0.448 108.340 108.800 -0.021 0.000 2.179 214 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 214 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 214 G C 0.032 174.932 174.900 -0.001 0.000 1.010 214 G CA 1.045 46.136 45.100 -0.016 0.000 0.736 214 G HN 1.377 nan 8.290 nan 0.000 0.513 215 K N -1.665 118.738 120.400 0.006 0.000 2.685 215 K HA 0.576 4.896 4.320 -0.000 0.000 0.290 215 K C -0.224 176.396 176.600 0.033 0.000 1.018 215 K CA -1.434 54.866 56.287 0.022 0.000 0.860 215 K CB 0.622 33.135 32.500 0.022 0.000 1.498 215 K HN 0.131 nan 8.250 nan 0.000 0.390 216 L N 1.735 122.987 121.223 0.048 0.000 2.525 216 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 216 L C -0.285 176.615 176.870 0.050 0.000 1.218 216 L CA -0.140 54.737 54.840 0.062 0.000 0.878 216 L CB 0.484 42.589 42.059 0.075 0.000 1.127 216 L HN 0.357 nan 8.230 nan 0.000 0.492 217 V N 1.779 121.722 119.914 0.049 0.000 2.962 217 V HA 0.463 4.583 4.120 -0.000 0.000 0.313 217 V C -0.200 175.915 176.094 0.035 0.000 1.099 217 V CA -0.616 61.706 62.300 0.037 0.000 0.971 217 V CB 2.437 34.276 31.823 0.027 0.000 1.028 217 V HN 0.750 nan 8.190 nan 0.000 0.430 218 T N 4.048 118.620 114.554 0.029 0.000 2.833 218 T HA 0.519 4.869 4.350 -0.000 0.000 0.297 218 T C -0.596 174.108 174.700 0.006 0.000 1.015 218 T CA -0.386 61.730 62.100 0.026 0.000 0.963 218 T CB 0.900 69.796 68.868 0.046 0.000 0.955 218 T HN 0.260 nan 8.240 nan 0.000 0.449 219 L N 6.804 128.010 121.223 -0.028 0.000 2.455 219 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 219 L C -0.599 176.264 176.870 -0.012 0.000 1.174 219 L CA -1.474 53.338 54.840 -0.047 0.000 0.869 219 L CB 0.169 42.153 42.059 -0.126 0.000 1.130 219 L HN 0.378 nan 8.230 nan 0.000 0.474 220 P HA -0.133 nan 4.420 nan 0.000 0.216 220 P C -0.647 176.662 177.300 0.015 0.000 1.150 220 P CA 1.243 64.354 63.100 0.017 0.000 0.837 220 P CB 0.161 31.874 31.700 0.022 0.000 0.786 221 D N -2.113 118.287 120.400 0.001 0.000 2.663 221 D HA 0.292 4.932 4.640 -0.000 0.000 0.233 221 D C -0.835 175.452 176.300 -0.022 0.000 1.240 221 D CA -0.710 53.288 54.000 -0.003 0.000 0.774 221 D CB 0.274 41.079 40.800 0.008 0.000 1.443 221 D HN -0.250 nan 8.370 nan 0.000 0.441 222 I N 1.758 122.310 120.570 -0.030 0.000 2.337 222 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 222 I C 1.470 177.570 176.117 -0.028 0.000 1.046 222 I CA -0.222 61.053 61.300 -0.041 0.000 1.324 222 I CB 0.523 38.489 38.000 -0.057 0.000 1.409 222 I HN 0.797 nan 8.210 nan 0.000 0.494 223 T N 0.739 115.277 114.554 -0.026 0.000 3.001 223 T HA 0.065 4.415 4.350 -0.000 0.000 0.251 223 T C 0.958 175.638 174.700 -0.034 0.000 1.040 223 T CA -0.157 61.927 62.100 -0.028 0.000 0.985 223 T CB 0.184 69.026 68.868 -0.043 0.000 1.011 223 T HN 0.442 nan 8.240 nan 0.000 0.509 224 S N 0.368 116.052 115.700 -0.027 0.000 2.572 224 S HA 0.241 4.711 4.470 -0.000 0.000 0.279 224 S C 1.355 175.928 174.600 -0.046 0.000 1.341 224 S CA -0.550 57.636 58.200 -0.023 0.000 1.043 224 S CB 0.980 64.187 63.200 0.012 0.000 0.887 224 S HN 0.152 nan 8.310 nan 0.000 0.516 225 V N 3.792 123.666 119.914 -0.066 0.000 2.809 225 V HA 0.065 4.185 4.120 -0.000 0.000 0.256 225 V C 1.641 177.697 176.094 -0.063 0.000 1.080 225 V CA 1.553 63.793 62.300 -0.100 0.000 1.102 225 V CB -0.785 30.947 31.823 -0.151 0.000 0.705 225 V HN 0.919 nan 8.190 nan 0.000 0.475 226 A N 0.542 123.340 122.820 -0.036 0.000 3.026 226 A HA 0.168 4.488 4.320 -0.000 0.000 0.272 226 A C 1.606 179.174 177.584 -0.027 0.000 1.782 226 A CA -0.217 51.807 52.037 -0.022 0.000 1.451 226 A CB -0.366 18.631 19.000 -0.003 0.000 1.081 226 A HN 0.304 nan 8.150 nan 0.000 0.611 227 K N 0.467 120.846 120.400 -0.036 0.000 2.144 227 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 227 K C 1.725 178.297 176.600 -0.047 0.000 1.047 227 K CA 1.784 58.043 56.287 -0.046 0.000 0.927 227 K CB -0.541 31.933 32.500 -0.044 0.000 0.716 227 K HN 0.530 nan 8.250 nan 0.000 0.454 228 S N 0.877 116.561 115.700 -0.027 0.000 2.500 228 S HA -0.008 4.462 4.470 -0.000 0.000 0.239 228 S C 1.572 176.159 174.600 -0.023 0.000 0.989 228 S CA 0.630 58.821 58.200 -0.016 0.000 0.951 228 S CB -0.065 63.143 63.200 0.014 0.000 0.759 228 S HN 0.240 nan 8.310 nan 0.000 0.523 229 L N -0.023 121.180 121.223 -0.034 0.000 2.728 229 L HA 0.271 4.611 4.340 -0.000 0.000 0.238 229 L C 1.930 178.754 176.870 -0.076 0.000 1.143 229 L CA -0.087 54.723 54.840 -0.050 0.000 0.937 229 L CB -0.156 41.892 42.059 -0.019 0.000 1.225 229 L HN 0.248 nan 8.230 nan 0.000 0.507 230 G N 0.774 109.524 108.800 -0.083 0.000 3.028 230 G HA2 0.094 4.054 3.960 -0.000 0.000 0.205 230 G HA3 0.094 4.054 3.960 -0.000 0.000 0.205 230 G C 0.823 175.647 174.900 -0.127 0.000 1.182 230 G CA 0.216 45.255 45.100 -0.101 0.000 0.860 230 G HN 0.365 nan 8.290 nan 0.000 0.507 231 A N 0.249 122.984 122.820 -0.141 0.000 2.522 231 A HA 0.306 4.626 4.320 -0.000 0.000 0.256 231 A C 1.404 178.937 177.584 -0.085 0.000 1.086 231 A CA 0.029 51.993 52.037 -0.123 0.000 0.763 231 A CB 0.330 19.172 19.000 -0.263 0.000 1.024 231 A HN 0.403 nan 8.150 nan 0.000 0.502 232 K N 0.935 121.309 120.400 -0.044 0.000 2.283 232 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 232 K C -0.122 176.479 176.600 0.002 0.000 1.048 232 K CA 1.271 57.543 56.287 -0.026 0.000 0.948 232 K CB 0.041 32.545 32.500 0.007 0.000 0.742 232 K HN 0.716 nan 8.250 nan 0.000 0.458 233 T N 0.463 115.048 114.554 0.050 0.000 2.928 233 T HA 0.184 4.534 4.350 -0.000 0.000 0.296 233 T C -0.947 173.812 174.700 0.098 0.000 1.000 233 T CA -0.626 61.522 62.100 0.081 0.000 0.989 233 T CB 2.511 71.452 68.868 0.121 0.000 1.005 233 T HN -0.175 nan 8.240 nan 0.000 0.442 234 V N 2.907 122.866 119.914 0.074 0.000 2.924 234 V HA 0.655 4.775 4.120 -0.000 0.000 0.305 234 V C 0.678 176.870 176.094 0.163 0.000 1.073 234 V CA -0.384 61.944 62.300 0.047 0.000 1.098 234 V CB 0.710 32.600 31.823 0.113 0.000 1.000 234 V HN 1.123 nan 8.190 nan 0.000 0.484 235 A N 5.026 127.977 122.820 0.219 0.000 2.498 235 A HA 0.540 4.860 4.320 -0.000 0.000 0.239 235 A C 1.482 179.177 177.584 0.185 0.000 1.068 235 A CA 0.424 52.673 52.037 0.353 0.000 0.766 235 A CB 0.301 19.614 19.000 0.521 0.000 1.003 235 A HN 1.756 nan 8.150 nan 0.000 0.497 236 A N 2.002 124.934 122.820 0.186 0.000 1.908 236 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 236 A C 2.135 179.755 177.584 0.061 0.000 1.181 236 A CA 2.209 54.320 52.037 0.124 0.000 0.627 236 A CB -0.460 18.617 19.000 0.128 0.000 0.818 236 A HN 0.937 nan 8.150 nan 0.000 0.445 237 R N 0.134 120.644 120.500 0.017 0.000 2.127 237 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 237 R C 2.088 178.257 176.300 -0.219 0.000 1.134 237 R CA 1.837 57.823 56.100 -0.189 0.000 0.975 237 R CB -0.773 29.125 30.300 -0.669 0.000 0.865 237 R HN 0.434 nan 8.270 nan 0.000 0.447 238 A N 0.329 123.044 122.820 -0.176 0.000 1.877 238 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 238 A C 2.023 179.641 177.584 0.057 0.000 1.186 238 A CA 1.517 53.432 52.037 -0.204 0.000 0.620 238 A CB -0.760 18.057 19.000 -0.306 0.000 0.822 238 A HN 0.358 nan 8.150 nan 0.000 0.443 239 L N 0.143 121.464 121.223 0.163 0.000 2.083 239 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 239 L C 2.290 179.220 176.870 0.101 0.000 1.083 239 L CA 2.530 57.496 54.840 0.211 0.000 0.752 239 L CB -0.585 41.556 42.059 0.138 0.000 0.899 239 L HN 0.644 nan 8.230 nan 0.000 0.433 240 E N -1.451 118.772 120.200 0.038 0.000 2.150 240 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 240 E C 2.156 178.750 176.600 -0.010 0.000 0.985 240 E CA 1.314 57.717 56.400 0.006 0.000 0.814 240 E CB -0.159 29.531 29.700 -0.016 0.000 0.752 240 E HN 0.607 nan 8.360 nan 0.000 0.466 241 C N 1.138 120.418 119.300 -0.033 0.000 2.409 241 C HA -0.078 4.382 4.460 -0.000 0.000 0.288 241 C C 2.369 177.361 174.990 0.003 0.000 1.395 241 C CA 0.297 59.287 59.018 -0.046 0.000 1.792 241 C CB -0.887 26.791 27.740 -0.104 0.000 1.847 241 C HN 0.558 nan 8.230 nan 0.000 0.534 242 M N 0.326 119.954 119.600 0.046 0.000 2.358 242 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 242 M C 2.020 178.319 176.300 -0.002 0.000 1.064 242 M CA 1.444 56.762 55.300 0.031 0.000 1.093 242 M CB -0.866 31.749 32.600 0.024 0.000 1.401 242 M HN 0.471 nan 8.290 nan 0.000 0.440 243 Q N -1.189 118.609 119.800 -0.002 0.000 2.376 243 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 243 Q C 2.176 178.171 176.000 -0.008 0.000 0.921 243 Q CA 0.820 56.620 55.803 -0.005 0.000 0.911 243 Q CB -0.497 28.240 28.738 -0.001 0.000 1.032 243 Q HN 0.488 nan 8.270 nan 0.000 0.510 244 V N -1.363 118.541 119.914 -0.017 0.000 3.125 244 V HA 0.164 4.284 4.120 -0.000 0.000 0.249 244 V C 0.371 176.448 176.094 -0.028 0.000 1.113 244 V CA 0.494 62.780 62.300 -0.023 0.000 1.106 244 V CB 0.513 32.315 31.823 -0.034 0.000 0.768 244 V HN 0.228 nan 8.190 nan 0.000 0.468 245 C N 0.574 119.857 119.300 -0.028 0.000 2.898 245 C HA 0.597 5.057 4.460 -0.000 0.000 0.304 245 C C -0.471 174.496 174.990 -0.039 0.000 1.237 245 C CA -1.099 57.901 59.018 -0.029 0.000 1.529 245 C CB 1.621 29.341 27.740 -0.033 0.000 2.021 245 C HN 0.456 nan 8.230 nan 0.000 0.474 246 K N 2.326 122.697 120.400 -0.049 0.000 2.338 246 K HA 0.561 4.881 4.320 -0.000 0.000 0.290 246 K C -1.035 175.451 176.600 -0.190 0.000 1.069 246 K CA 0.421 56.634 56.287 -0.124 0.000 0.941 246 K CB -0.397 32.041 32.500 -0.103 0.000 1.023 246 K HN 0.537 nan 8.250 nan 0.000 0.477 247 I N 4.975 125.417 120.570 -0.213 0.000 2.433 247 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 247 I C -0.227 175.738 176.117 -0.254 0.000 1.001 247 I CA -0.951 60.261 61.300 -0.147 0.000 1.119 247 I CB 1.499 39.526 38.000 0.045 0.000 1.289 247 I HN 0.493 nan 8.210 nan 0.000 0.438 248 H N 4.180 123.270 119.070 0.034 0.000 2.581 248 H HA 0.229 4.785 4.556 -0.000 0.000 0.308 248 H C -0.302 175.038 175.328 0.019 0.000 1.040 248 H CA -0.295 55.757 56.048 0.007 0.000 1.231 248 H CB 1.893 31.655 29.762 -0.000 0.000 1.396 248 H HN 0.435 nan 8.280 nan 0.000 0.467 249 S N 3.963 119.701 115.700 0.063 0.000 2.465 249 S HA 0.164 4.634 4.470 -0.000 0.000 0.279 249 S C -0.182 174.433 174.600 0.025 0.000 1.201 249 S CA -0.598 57.616 58.200 0.022 0.000 1.053 249 S CB 0.215 63.306 63.200 -0.183 0.000 0.953 249 S HN 0.492 nan 8.310 nan 0.000 0.488 250 E N 3.249 123.479 120.200 0.050 0.000 2.248 250 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 250 E C -1.151 175.463 176.600 0.024 0.000 0.877 250 E CA -0.657 55.755 56.400 0.021 0.000 0.759 250 E CB 2.044 31.756 29.700 0.020 0.000 1.182 250 E HN 0.412 nan 8.360 nan 0.000 0.418 251 V N 2.436 122.344 119.914 -0.010 0.000 2.495 251 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 251 V C 0.071 176.151 176.094 -0.022 0.000 1.031 251 V CA -0.845 61.450 62.300 -0.009 0.000 0.871 251 V CB 1.750 33.529 31.823 -0.073 0.000 0.988 251 V HN 0.523 nan 8.190 nan 0.000 0.432 252 V N 0.991 120.913 119.914 0.014 0.000 3.001 252 V HA 0.729 4.849 4.120 -0.000 0.000 0.314 252 V C -0.253 175.869 176.094 0.047 0.000 1.099 252 V CA -0.928 61.381 62.300 0.016 0.000 0.989 252 V CB 2.065 33.902 31.823 0.023 0.000 1.040 252 V HN 0.700 nan 8.190 nan 0.000 0.434 253 E N 1.272 121.499 120.200 0.045 0.000 2.408 253 E HA 0.118 4.468 4.350 -0.000 0.000 0.259 253 E C 0.406 177.036 176.600 0.051 0.000 1.110 253 E CA -0.028 56.414 56.400 0.070 0.000 0.929 253 E CB 0.902 30.635 29.700 0.054 0.000 0.971 253 E HN 0.790 nan 8.360 nan 0.000 0.438 254 D N 0.806 121.233 120.400 0.045 0.000 2.149 254 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 254 D C 1.828 178.135 176.300 0.011 0.000 0.990 254 D CA 2.058 56.069 54.000 0.018 0.000 0.839 254 D CB -0.252 40.544 40.800 -0.007 0.000 0.948 254 D HN 0.609 nan 8.370 nan 0.000 0.460 255 T N -1.002 113.563 114.554 0.019 0.000 2.759 255 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 255 T C 1.784 176.487 174.700 0.005 0.000 1.042 255 T CA 1.243 63.350 62.100 0.012 0.000 1.140 255 T CB -0.370 68.508 68.868 0.018 0.000 0.864 255 T HN 0.234 nan 8.240 nan 0.000 0.455 256 E N 1.406 121.615 120.200 0.014 0.000 2.152 256 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 256 E C 2.609 179.222 176.600 0.022 0.000 0.983 256 E CA 0.802 57.211 56.400 0.016 0.000 0.818 256 E CB -0.305 29.410 29.700 0.025 0.000 0.758 256 E HN 0.693 nan 8.360 nan 0.000 0.467 257 A N 0.820 123.653 122.820 0.022 0.000 1.872 257 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 257 A C 2.465 180.054 177.584 0.009 0.000 1.187 257 A CA 0.964 53.016 52.037 0.024 0.000 0.614 257 A CB -0.540 18.472 19.000 0.021 0.000 0.826 257 A HN 0.105 nan 8.150 nan 0.000 0.442 258 V N -0.168 119.742 119.914 -0.006 0.000 2.358 258 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 258 V C 2.830 178.902 176.094 -0.037 0.000 1.047 258 V CA 2.229 64.518 62.300 -0.019 0.000 1.035 258 V CB -0.832 30.979 31.823 -0.021 0.000 0.658 258 V HN 0.695 nan 8.190 nan 0.000 0.452 259 S N 0.419 116.093 115.700 -0.043 0.000 2.365 259 S HA -0.278 4.192 4.470 -0.000 0.000 0.225 259 S C 2.102 176.610 174.600 -0.154 0.000 1.039 259 S CA 2.069 60.218 58.200 -0.085 0.000 1.033 259 S CB -0.392 62.769 63.200 -0.065 0.000 0.887 259 S HN 0.627 nan 8.310 nan 0.000 0.447 260 A N 0.619 123.384 122.820 -0.091 0.000 1.930 260 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 260 A C 2.389 179.939 177.584 -0.056 0.000 1.175 260 A CA 1.610 53.602 52.037 -0.076 0.000 0.627 260 A CB -1.026 18.074 19.000 0.167 0.000 0.815 260 A HN 0.475 nan 8.150 nan 0.000 0.443 261 V N 0.077 119.978 119.914 -0.021 0.000 2.287 261 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 261 V C 2.795 178.865 176.094 -0.039 0.000 1.053 261 V CA 2.517 64.813 62.300 -0.006 0.000 1.027 261 V CB -0.767 31.053 31.823 -0.005 0.000 0.646 261 V HN 0.741 nan 8.190 nan 0.000 0.447 262 Q N 0.192 119.945 119.800 -0.078 0.000 2.050 262 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 262 Q C 2.206 178.128 176.000 -0.129 0.000 0.980 262 Q CA 2.046 57.795 55.803 -0.089 0.000 0.840 262 Q CB -0.381 28.301 28.738 -0.094 0.000 0.898 262 Q HN 0.718 nan 8.270 nan 0.000 0.424 263 Q N -0.494 119.147 119.800 -0.266 0.000 2.119 263 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 263 Q C 2.015 177.937 176.000 -0.129 0.000 0.972 263 Q CA 1.041 56.623 55.803 -0.367 0.000 0.847 263 Q CB -0.245 27.878 28.738 -1.026 0.000 0.903 263 Q HN 0.375 nan 8.270 nan 0.000 0.433 264 L N 1.042 122.259 121.223 -0.010 0.000 2.083 264 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 264 L C 2.202 179.115 176.870 0.073 0.000 1.083 264 L CA 1.129 56.062 54.840 0.155 0.000 0.752 264 L CB -0.392 41.772 42.059 0.174 0.000 0.899 264 L HN 0.310 nan 8.230 nan 0.000 0.433 265 L N 0.238 121.475 121.223 0.024 0.000 2.017 265 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 265 L C 2.181 179.063 176.870 0.021 0.000 1.073 265 L CA 1.959 56.810 54.840 0.019 0.000 0.745 265 L CB -0.783 41.277 42.059 0.001 0.000 0.894 265 L HN 0.225 nan 8.230 nan 0.000 0.432 266 D N -0.409 119.994 120.400 0.004 0.000 2.117 266 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 266 D C 1.711 178.035 176.300 0.040 0.000 0.982 266 D CA 1.421 55.428 54.000 0.011 0.000 0.828 266 D CB -0.118 40.674 40.800 -0.013 0.000 0.967 266 D HN 0.459 nan 8.370 nan 0.000 0.464 267 D N 0.556 120.991 120.400 0.058 0.000 2.137 267 D HA -0.064 4.576 4.640 -0.000 0.000 0.202 267 D C 1.273 177.629 176.300 0.093 0.000 0.970 267 D CA 0.863 54.917 54.000 0.090 0.000 0.837 267 D CB 0.139 41.017 40.800 0.131 0.000 0.981 267 D HN 0.165 nan 8.370 nan 0.000 0.475 268 E N 0.526 120.777 120.200 0.085 0.000 2.603 268 E HA 0.046 4.396 4.350 -0.000 0.000 0.211 268 E C -0.142 176.493 176.600 0.058 0.000 0.995 268 E CA -0.163 56.280 56.400 0.073 0.000 0.990 268 E CB 0.286 30.028 29.700 0.070 0.000 1.036 268 E HN 0.342 nan 8.360 nan 0.000 0.475 269 R N 1.416 121.948 120.500 0.052 0.000 3.034 269 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 269 R C -0.256 176.066 176.300 0.037 0.000 0.861 269 R CA 0.793 56.917 56.100 0.040 0.000 0.588 269 R CB -2.586 27.736 30.300 0.037 0.000 1.035 269 R HN 0.189 nan 8.270 nan 0.000 0.488 270 M N -0.934 118.690 119.600 0.040 0.000 2.224 270 M HA 0.416 4.896 4.480 -0.000 0.000 0.281 270 M C -1.271 175.050 176.300 0.035 0.000 1.025 270 M CA -1.381 53.941 55.300 0.037 0.000 0.954 270 M CB 1.998 34.624 32.600 0.043 0.000 1.639 270 M HN 0.050 nan 8.290 nan 0.000 0.461 271 L N 5.399 126.638 121.223 0.027 0.000 2.278 271 L HA 0.699 5.039 4.340 -0.000 0.000 0.287 271 L C -0.603 176.282 176.870 0.026 0.000 1.072 271 L CA -0.167 54.687 54.840 0.023 0.000 0.819 271 L CB 1.207 43.276 42.059 0.016 0.000 1.176 271 L HN 0.695 nan 8.230 nan 0.000 0.435 272 V N 1.589 121.520 119.914 0.029 0.000 3.019 272 V HA 0.639 4.759 4.120 -0.000 0.000 0.317 272 V C 0.091 176.200 176.094 0.025 0.000 1.094 272 V CA -0.992 61.327 62.300 0.033 0.000 1.000 272 V CB 1.562 33.412 31.823 0.045 0.000 1.060 272 V HN 0.759 nan 8.190 nan 0.000 0.443 273 E N 2.060 122.277 120.200 0.027 0.000 2.392 273 E HA 0.219 4.569 4.350 -0.000 0.000 0.259 273 E C -1.852 174.758 176.600 0.018 0.000 1.108 273 E CA -1.317 55.093 56.400 0.018 0.000 0.916 273 E CB 1.107 30.819 29.700 0.020 0.000 0.989 273 E HN 0.581 nan 8.360 nan 0.000 0.432 274 P HA -0.251 nan 4.420 nan 0.000 0.216 274 P C 0.837 178.146 177.300 0.014 0.000 1.150 274 P CA 1.746 64.848 63.100 0.004 0.000 0.843 274 P CB 0.137 31.828 31.700 -0.014 0.000 0.787 275 A N -1.183 121.647 122.820 0.016 0.000 1.908 275 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 275 A C 2.466 180.068 177.584 0.030 0.000 1.181 275 A CA 1.993 54.043 52.037 0.022 0.000 0.627 275 A CB -1.838 17.178 19.000 0.027 0.000 0.818 275 A HN 0.330 nan 8.150 nan 0.000 0.445 276 C N -0.746 118.577 119.300 0.038 0.000 2.450 276 C HA 0.170 4.630 4.460 -0.000 0.000 0.279 276 C C 2.858 177.873 174.990 0.042 0.000 1.335 276 C CA 0.776 59.819 59.018 0.041 0.000 1.749 276 C CB -1.582 26.189 27.740 0.052 0.000 1.963 276 C HN 0.617 nan 8.230 nan 0.000 0.501 277 G N 0.126 108.952 108.800 0.044 0.000 2.448 277 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 277 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 277 G C 1.930 176.865 174.900 0.058 0.000 1.127 277 G CA 0.965 46.100 45.100 0.057 0.000 0.766 277 G HN 0.695 nan 8.290 nan 0.000 0.552 278 A N 1.173 124.018 122.820 0.040 0.000 1.933 278 A HA 0.250 4.570 4.320 -0.000 0.000 0.218 278 A C 2.801 180.405 177.584 0.033 0.000 1.175 278 A CA 2.190 54.249 52.037 0.038 0.000 0.628 278 A CB -0.707 18.312 19.000 0.033 0.000 0.814 278 A HN 0.705 nan 8.150 nan 0.000 0.444 279 A N -0.273 122.561 122.820 0.024 0.000 1.858 279 A HA -0.026 4.293 4.320 -0.000 0.000 0.216 279 A C 2.091 179.682 177.584 0.011 0.000 1.190 279 A CA 1.500 53.542 52.037 0.008 0.000 0.617 279 A CB -0.656 18.339 19.000 -0.009 0.000 0.827 279 A HN 0.452 nan 8.150 nan 0.000 0.443 280 L N -0.478 120.767 121.223 0.037 0.000 2.362 280 L HA -0.130 4.210 4.340 -0.000 0.000 0.219 280 L C 2.847 179.761 176.870 0.074 0.000 1.134 280 L CA 0.676 55.540 54.840 0.040 0.000 0.807 280 L CB -0.344 41.800 42.059 0.141 0.000 0.927 280 L HN 0.433 nan 8.230 nan 0.000 0.447 281 A N -0.006 122.872 122.820 0.097 0.000 2.070 281 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 281 A C 2.549 180.158 177.584 0.042 0.000 1.159 281 A CA 1.416 53.514 52.037 0.102 0.000 0.656 281 A CB -0.505 18.537 19.000 0.069 0.000 0.800 281 A HN 0.393 nan 8.150 nan 0.000 0.453 282 A N 0.102 122.924 122.820 0.003 0.000 1.933 282 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 282 A C 1.969 179.518 177.584 -0.058 0.000 1.175 282 A CA 1.681 53.703 52.037 -0.024 0.000 0.628 282 A CB -0.364 18.619 19.000 -0.028 0.000 0.814 282 A HN 0.431 nan 8.150 nan 0.000 0.444 283 I N -1.942 118.559 120.570 -0.114 0.000 2.272 283 I HA -0.108 4.062 4.170 -0.000 0.000 0.235 283 I C 2.351 178.379 176.117 -0.149 0.000 1.071 283 I CA 0.997 62.175 61.300 -0.203 0.000 1.374 283 I CB -1.947 35.809 38.000 -0.406 0.000 1.121 283 I HN 0.416 nan 8.210 nan 0.000 0.420 284 Y N 1.383 121.660 120.300 -0.039 0.000 2.228 284 Y HA -0.215 4.335 4.550 -0.000 0.000 0.285 284 Y C 2.566 178.444 175.900 -0.037 0.000 1.178 284 Y CA 1.287 59.363 58.100 -0.041 0.000 1.202 284 Y CB -0.339 38.101 38.460 -0.035 0.000 0.974 284 Y HN 0.149 nan 8.280 nan 0.000 0.527 285 S N -1.215 114.551 115.700 0.111 0.000 2.605 285 S HA 0.203 4.673 4.470 -0.000 0.000 0.217 285 S C 1.559 176.168 174.600 0.015 0.000 0.958 285 S CA 0.584 58.817 58.200 0.054 0.000 0.919 285 S CB 0.101 63.325 63.200 0.040 0.000 0.780 285 S HN 0.700 nan 8.310 nan 0.000 0.507 286 G N 1.405 110.205 108.800 -0.001 0.000 2.162 286 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 286 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 286 G C 0.788 175.666 174.900 -0.036 0.000 0.976 286 G CA 0.325 45.411 45.100 -0.024 0.000 0.655 286 G HN 0.423 nan 8.290 nan 0.000 0.533 287 L N -0.744 120.458 121.223 -0.035 0.000 2.013 287 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 287 L C 3.029 179.859 176.870 -0.066 0.000 1.073 287 L CA 2.343 57.155 54.840 -0.047 0.000 0.753 287 L CB -1.106 40.931 42.059 -0.037 0.000 0.890 287 L HN 0.386 nan 8.230 nan 0.000 0.432 288 L N -0.613 120.571 121.223 -0.066 0.000 2.079 288 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 288 L C 2.828 179.655 176.870 -0.073 0.000 1.081 288 L CA 1.546 56.341 54.840 -0.075 0.000 0.752 288 L CB -0.662 41.354 42.059 -0.071 0.000 0.896 288 L HN 0.184 nan 8.230 nan 0.000 0.433 289 R N -1.046 119.416 120.500 -0.063 0.000 2.066 289 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 289 R C 2.399 178.664 176.300 -0.058 0.000 1.131 289 R CA 1.198 57.264 56.100 -0.056 0.000 0.955 289 R CB -0.343 29.929 30.300 -0.048 0.000 0.851 289 R HN 0.323 nan 8.270 nan 0.000 0.432 290 R N 0.823 121.287 120.500 -0.059 0.000 2.080 290 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 290 R C 2.433 178.686 176.300 -0.078 0.000 1.137 290 R CA 1.329 57.393 56.100 -0.060 0.000 0.943 290 R CB -0.372 29.895 30.300 -0.056 0.000 0.846 290 R HN 0.175 nan 8.270 nan 0.000 0.431 291 L N 0.466 121.625 121.223 -0.107 0.000 2.079 291 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 291 L C 2.694 179.490 176.870 -0.123 0.000 1.081 291 L CA 1.496 56.242 54.840 -0.158 0.000 0.752 291 L CB -0.432 41.482 42.059 -0.242 0.000 0.896 291 L HN 0.377 nan 8.230 nan 0.000 0.433 292 Q N -0.573 119.172 119.800 -0.092 0.000 2.079 292 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 292 Q C 2.452 178.419 176.000 -0.054 0.000 0.974 292 Q CA 1.493 57.255 55.803 -0.067 0.000 0.840 292 Q CB -0.130 28.575 28.738 -0.055 0.000 0.898 292 Q HN 0.568 nan 8.270 nan 0.000 0.430 293 A N 1.359 124.147 122.820 -0.052 0.000 1.858 293 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 293 A C 1.721 179.280 177.584 -0.041 0.000 1.190 293 A CA 1.506 53.518 52.037 -0.042 0.000 0.617 293 A CB -0.512 18.465 19.000 -0.039 0.000 0.827 293 A HN 0.341 nan 8.150 nan 0.000 0.443 294 E N -1.579 118.591 120.200 -0.050 0.000 2.401 294 E HA 0.068 4.418 4.350 -0.000 0.000 0.199 294 E C 1.263 177.840 176.600 -0.039 0.000 1.023 294 E CA 0.438 56.811 56.400 -0.045 0.000 0.859 294 E CB -0.258 29.408 29.700 -0.056 0.000 0.780 294 E HN 0.836 nan 8.360 nan 0.000 0.523 295 G N 0.296 109.070 108.800 -0.044 0.000 2.176 295 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 295 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 295 G C 0.847 175.729 174.900 -0.029 0.000 0.979 295 G CA 0.222 45.303 45.100 -0.032 0.000 0.641 295 G HN 0.393 nan 8.290 nan 0.000 0.530 296 C N 0.804 120.069 119.300 -0.059 0.000 2.536 296 C HA 0.657 5.117 4.460 -0.000 0.000 0.285 296 C C 0.854 175.805 174.990 -0.064 0.000 1.371 296 C CA 0.196 59.180 59.018 -0.057 0.000 1.675 296 C CB -1.802 25.821 27.740 -0.195 0.000 1.689 296 C HN 0.451 nan 8.230 nan 0.000 0.589 297 L N 0.888 122.080 121.223 -0.052 0.000 2.545 297 L HA 0.373 4.713 4.340 -0.000 0.000 0.258 297 L C -2.420 174.434 176.870 -0.027 0.000 0.942 297 L CA -1.489 53.330 54.840 -0.034 0.000 0.855 297 L CB 2.301 44.319 42.059 -0.067 0.000 1.374 297 L HN -0.209 nan 8.230 nan 0.000 0.411 298 P HA 0.059 nan 4.420 nan 0.000 0.264 298 P C -2.389 174.897 177.300 -0.024 0.000 1.183 298 P CA -0.859 62.229 63.100 -0.020 0.000 0.763 298 P CB 0.367 32.054 31.700 -0.021 0.000 0.807 299 P HA -0.101 nan 4.420 nan 0.000 0.218 299 P C 0.575 177.863 177.300 -0.021 0.000 1.146 299 P CA 1.586 64.672 63.100 -0.022 0.000 0.813 299 P CB 0.242 31.930 31.700 -0.019 0.000 0.778 300 S N -0.867 114.822 115.700 -0.019 0.000 2.594 300 S HA 0.576 5.046 4.470 -0.000 0.000 0.296 300 S C -1.520 173.070 174.600 -0.017 0.000 1.124 300 S CA -0.682 57.508 58.200 -0.016 0.000 1.011 300 S CB 0.164 63.356 63.200 -0.013 0.000 1.016 300 S HN -0.256 nan 8.310 nan 0.000 0.485 301 L N 3.857 125.072 121.223 -0.013 0.000 2.356 301 L HA 0.510 4.850 4.340 -0.000 0.000 0.277 301 L C 1.493 178.364 176.870 0.001 0.000 0.996 301 L CA -0.398 54.433 54.840 -0.014 0.000 0.822 301 L CB 1.465 43.516 42.059 -0.014 0.000 1.256 301 L HN 0.725 nan 8.230 nan 0.000 0.413 302 T N 0.414 114.962 114.554 -0.012 0.000 2.869 302 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 302 T C 0.579 175.318 174.700 0.065 0.000 1.082 302 T CA 1.582 63.686 62.100 0.006 0.000 1.123 302 T CB -0.047 68.798 68.868 -0.039 0.000 0.856 302 T HN 0.875 nan 8.240 nan 0.000 0.499 303 S N -1.906 113.828 115.700 0.057 0.000 2.701 303 S HA 0.420 4.890 4.470 -0.000 0.000 0.267 303 S C -1.579 173.072 174.600 0.086 0.000 1.034 303 S CA -0.570 57.724 58.200 0.156 0.000 0.867 303 S CB 1.267 64.629 63.200 0.271 0.000 1.123 303 S HN 0.418 nan 8.310 nan 0.000 0.470 304 V N 0.942 120.944 119.914 0.147 0.000 2.668 304 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 304 V C -1.403 174.770 176.094 0.133 0.000 1.071 304 V CA -0.438 61.909 62.300 0.078 0.000 0.894 304 V CB 1.592 33.433 31.823 0.030 0.000 1.008 304 V HN 1.118 nan 8.190 nan 0.000 0.425 305 V N 7.270 127.234 119.914 0.084 0.000 2.370 305 V HA 0.478 4.598 4.120 -0.000 0.000 0.279 305 V C -0.076 176.051 176.094 0.054 0.000 1.029 305 V CA -0.446 61.915 62.300 0.102 0.000 0.870 305 V CB 1.648 33.514 31.823 0.070 0.000 0.984 305 V HN 0.687 nan 8.190 nan 0.000 0.451 306 V N 6.684 126.629 119.914 0.052 0.000 2.347 306 V HA 0.403 4.523 4.120 -0.000 0.000 0.280 306 V C 0.206 176.306 176.094 0.009 0.000 1.021 306 V CA -0.447 61.860 62.300 0.011 0.000 0.847 306 V CB 1.546 33.362 31.823 -0.011 0.000 0.990 306 V HN 0.668 nan 8.190 nan 0.000 0.444 307 I N 5.376 125.931 120.570 -0.024 0.000 2.421 307 I HA 0.093 4.263 4.170 -0.000 0.000 0.291 307 I C 0.145 176.242 176.117 -0.034 0.000 1.089 307 I CA -0.012 61.261 61.300 -0.046 0.000 1.354 307 I CB 1.117 39.038 38.000 -0.133 0.000 1.413 307 I HN 0.327 nan 8.210 nan 0.000 0.513 308 V N 7.075 126.994 119.914 0.009 0.000 2.223 308 V HA -0.039 4.081 4.120 -0.000 0.000 0.249 308 V C 1.316 177.447 176.094 0.060 0.000 1.233 308 V CA -0.414 61.905 62.300 0.032 0.000 1.131 308 V CB -0.150 31.702 31.823 0.047 0.000 1.298 308 V HN 1.066 nan 8.190 nan 0.000 0.498 309 C N 1.665 121.001 119.300 0.059 0.000 2.403 309 C HA 0.123 4.583 4.460 -0.000 0.000 0.279 309 C C 2.085 177.202 174.990 0.211 0.000 1.269 309 C CA 0.380 59.524 59.018 0.209 0.000 1.774 309 C CB -1.615 26.249 27.740 0.207 0.000 1.993 309 C HN 1.178 nan 8.230 nan 0.000 0.496 310 G N 0.964 109.834 108.800 0.117 0.000 2.720 310 G HA2 0.314 4.274 3.960 -0.000 0.000 0.293 310 G HA3 0.314 4.274 3.960 -0.000 0.000 0.293 310 G C 0.623 175.561 174.900 0.064 0.000 1.256 310 G CA 0.988 46.136 45.100 0.081 0.000 0.974 310 G HN 2.802 nan 8.290 nan 0.000 0.551 311 G N -1.175 107.652 108.800 0.045 0.000 2.697 311 G HA2 0.191 4.151 3.960 -0.000 0.000 0.686 311 G HA3 0.191 4.151 3.960 -0.000 0.000 0.686 311 G C 0.157 175.061 174.900 0.007 0.000 1.179 311 G CA 0.705 45.817 45.100 0.020 0.000 0.765 311 G HN 1.231 nan 8.290 nan 0.000 0.649 312 N N 0.102 118.799 118.700 -0.004 0.000 2.387 312 N HA -0.053 4.687 4.740 -0.000 0.000 0.176 312 N C 1.223 176.733 175.510 0.000 0.000 1.022 312 N CA 0.484 53.531 53.050 -0.005 0.000 0.883 312 N CB 0.072 38.553 38.487 -0.011 0.000 1.019 312 N HN 0.528 nan 8.380 nan 0.000 0.435 313 N N 1.413 120.113 118.700 -0.000 0.000 2.892 313 N HA 0.099 4.839 4.740 -0.000 0.000 0.300 313 N C -1.229 174.281 175.510 0.000 0.000 1.211 313 N CA 0.144 53.194 53.050 0.000 0.000 1.158 313 N CB -0.544 37.941 38.487 -0.003 0.000 1.455 313 N HN 0.138 nan 8.380 nan 0.000 0.524 314 I N 1.224 121.795 120.570 0.002 0.000 2.793 314 I HA 0.415 4.585 4.170 -0.000 0.000 0.295 314 I C -1.950 174.170 176.117 0.004 0.000 1.610 314 I CA -0.445 60.856 61.300 0.002 0.000 0.986 314 I CB 1.533 39.535 38.000 0.004 0.000 1.402 314 I HN 0.552 nan 8.210 nan 0.000 0.500 315 N N 2.426 121.128 118.700 0.003 0.000 3.227 315 N HA 0.382 5.122 4.740 -0.000 0.000 0.241 315 N C -0.265 175.247 175.510 0.003 0.000 1.480 315 N CA -0.213 52.840 53.050 0.005 0.000 0.886 315 N CB 0.544 39.035 38.487 0.005 0.000 1.406 315 N HN 0.246 nan 8.380 nan 0.000 0.514 316 S N 0.131 115.833 115.700 0.004 0.000 2.380 316 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 316 S C 1.483 176.085 174.600 0.003 0.000 1.050 316 S CA 1.863 60.065 58.200 0.003 0.000 1.100 316 S CB -0.554 62.649 63.200 0.004 0.000 0.984 316 S HN 0.578 nan 8.310 nan 0.000 0.434 317 R N 0.812 121.315 120.500 0.005 0.000 2.091 317 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 317 R C 2.414 178.718 176.300 0.006 0.000 1.136 317 R CA 1.136 57.240 56.100 0.006 0.000 0.959 317 R CB -0.319 29.985 30.300 0.007 0.000 0.856 317 R HN 0.327 nan 8.270 nan 0.000 0.437 318 E N 1.005 121.208 120.200 0.004 0.000 2.077 318 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 318 E C 1.966 178.564 176.600 -0.002 0.000 0.989 318 E CA 0.906 57.306 56.400 0.001 0.000 0.800 318 E CB -0.177 29.522 29.700 -0.002 0.000 0.746 318 E HN 0.106 nan 8.360 nan 0.000 0.452 319 L N 1.444 122.665 121.223 -0.003 0.000 2.042 319 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 319 L C 2.250 179.119 176.870 -0.002 0.000 1.076 319 L CA 1.751 56.587 54.840 -0.006 0.000 0.749 319 L CB -0.608 41.447 42.059 -0.007 0.000 0.893 319 L HN 0.038 nan 8.230 nan 0.000 0.432 320 Q N -0.297 119.505 119.800 0.002 0.000 2.061 320 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 320 Q C 2.288 178.298 176.000 0.017 0.000 0.984 320 Q CA 1.922 57.729 55.803 0.007 0.000 0.846 320 Q CB -0.621 28.122 28.738 0.007 0.000 0.902 320 Q HN 0.662 nan 8.270 nan 0.000 0.421 321 A N 0.842 123.674 122.820 0.020 0.000 1.873 321 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 321 A C 2.312 179.927 177.584 0.051 0.000 1.193 321 A CA 1.626 53.685 52.037 0.037 0.000 0.629 321 A CB -0.956 18.061 19.000 0.029 0.000 0.826 321 A HN 0.374 nan 8.150 nan 0.000 0.447 322 L N -0.832 120.398 121.223 0.011 0.000 1.989 322 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 322 L C 2.636 179.520 176.870 0.023 0.000 1.071 322 L CA 2.103 56.933 54.840 -0.016 0.000 0.749 322 L CB -0.553 41.480 42.059 -0.042 0.000 0.890 322 L HN 0.361 nan 8.230 nan 0.000 0.431 323 K N -0.798 119.613 120.400 0.018 0.000 2.097 323 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 323 K C 2.120 178.744 176.600 0.040 0.000 1.049 323 K CA 1.759 58.057 56.287 0.019 0.000 0.933 323 K CB -0.287 32.215 32.500 0.003 0.000 0.717 323 K HN 0.279 nan 8.250 nan 0.000 0.442 324 T N 0.028 114.612 114.554 0.051 0.000 2.698 324 T HA -0.164 4.186 4.350 -0.000 0.000 0.260 324 T C 1.644 176.396 174.700 0.086 0.000 1.044 324 T CA 1.092 63.223 62.100 0.052 0.000 1.149 324 T CB -0.353 68.540 68.868 0.042 0.000 0.864 324 T HN 0.327 nan 8.240 nan 0.000 0.419 325 H N 0.640 119.707 119.070 -0.004 0.000 2.496 325 H HA -0.062 4.494 4.556 -0.000 0.000 0.296 325 H C 0.969 176.294 175.328 -0.004 0.000 1.107 325 H CA 1.055 57.101 56.048 -0.004 0.000 1.263 325 H CB -0.147 29.613 29.762 -0.003 0.000 1.369 325 H HN 0.200 nan 8.280 nan 0.000 0.541 326 L N -0.173 121.176 121.223 0.211 0.000 2.910 326 L HA 0.281 4.621 4.340 -0.000 0.000 0.252 326 L C 1.022 177.929 176.870 0.062 0.000 1.195 326 L CA 0.676 55.600 54.840 0.140 0.000 1.003 326 L CB 0.215 42.332 42.059 0.096 0.000 1.328 326 L HN 0.355 nan 8.230 nan 0.000 0.540 327 G N 0.745 109.571 108.800 0.043 0.000 2.387 327 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.270 327 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.270 327 G C -0.021 174.887 174.900 0.013 0.000 0.957 327 G CA 0.263 45.374 45.100 0.019 0.000 1.352 327 G HN 0.401 nan 8.290 nan 0.000 0.457 328 Q N 0.000 119.806 119.800 0.010 0.000 2.315 328 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 328 Q CA 0.000 55.803 55.803 -0.001 0.000 1.022 328 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 328 Q HN 0.000 nan 8.270 nan 0.000 0.481