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 2d64_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITTAPA DPILGLADLL RADERPGKID LGMGVYNDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPGWPTHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRVN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFTI DATA SEQUENCE KQNGMFFFGG LTKEQVLRLR EEFGVYAVAS GRLNVAGMTP DNLAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.197 176.300 -0.171 0.000 1.140 5 M CA 0.000 55.095 55.300 -0.342 0.000 0.988 5 M CB 0.000 32.224 32.600 -0.627 0.000 1.302 6 F N 0.813 120.760 119.950 -0.004 0.000 2.695 6 F HA 0.438 4.978 4.527 0.022 0.000 0.303 6 F C 1.390 177.187 175.800 -0.005 0.000 1.091 6 F CA 0.077 58.074 58.000 -0.005 0.000 1.300 6 F CB -0.698 38.299 39.000 -0.005 0.000 1.071 6 F HN 0.132 nan 8.300 nan 0.000 0.578 7 E N 0.618 120.886 120.200 0.114 0.000 2.130 7 E HA -0.184 4.179 4.350 0.022 0.000 0.196 7 E C 1.154 177.792 176.600 0.063 0.000 0.998 7 E CA 1.402 57.844 56.400 0.069 0.000 0.806 7 E CB -0.288 29.427 29.700 0.025 0.000 0.738 7 E HN 0.218 nan 8.360 nan 0.000 0.459 8 N N 0.216 118.954 118.700 0.063 0.000 2.235 8 N HA 0.128 4.881 4.740 0.022 0.000 0.209 8 N C -0.248 175.290 175.510 0.048 0.000 1.122 8 N CA 0.060 53.137 53.050 0.045 0.000 0.845 8 N CB 0.454 38.960 38.487 0.031 0.000 1.004 8 N HN 0.173 nan 8.380 nan 0.000 0.499 9 I N 1.372 121.982 120.570 0.067 0.000 2.588 9 I HA -0.025 4.158 4.170 0.022 0.000 0.283 9 I C 0.596 176.724 176.117 0.018 0.000 1.119 9 I CA 0.408 61.734 61.300 0.043 0.000 1.419 9 I CB 0.560 38.582 38.000 0.037 0.000 1.394 9 I HN -0.141 nan 8.210 nan 0.000 0.562 10 T N 4.407 118.965 114.554 0.006 0.000 2.909 10 T HA 0.144 4.507 4.350 0.022 0.000 0.289 10 T C 0.222 174.914 174.700 -0.012 0.000 1.005 10 T CA -0.441 61.657 62.100 -0.002 0.000 1.084 10 T CB 0.813 69.678 68.868 -0.004 0.000 0.975 10 T HN 0.544 nan 8.240 nan 0.000 0.509 11 T N 3.142 117.689 114.554 -0.013 0.000 2.834 11 T HA 0.404 4.768 4.350 0.022 0.000 0.298 11 T C 0.587 175.273 174.700 -0.023 0.000 0.966 11 T CA -0.573 61.515 62.100 -0.019 0.000 1.141 11 T CB 0.362 69.221 68.868 -0.015 0.000 0.905 11 T HN 0.742 nan 8.240 nan 0.000 0.535 12 A N 5.390 128.192 122.820 -0.030 0.000 2.407 12 A HA 0.515 4.848 4.320 0.022 0.000 0.248 12 A C -1.857 175.708 177.584 -0.031 0.000 1.082 12 A CA -1.257 50.760 52.037 -0.033 0.000 0.785 12 A CB -0.476 18.500 19.000 -0.041 0.000 1.020 12 A HN 0.585 nan 8.150 nan 0.000 0.489 13 P HA 0.402 nan 4.420 nan 0.000 0.271 13 P C -0.108 177.170 177.300 -0.037 0.000 1.216 13 P CA 0.041 63.122 63.100 -0.032 0.000 0.776 13 P CB 0.811 32.491 31.700 -0.034 0.000 0.881 14 A N 2.002 124.804 122.820 -0.031 0.000 2.425 14 A HA 0.101 4.434 4.320 0.022 0.000 0.242 14 A C 0.390 177.948 177.584 -0.044 0.000 1.077 14 A CA -0.180 51.838 52.037 -0.032 0.000 0.781 14 A CB -0.064 18.925 19.000 -0.018 0.000 1.020 14 A HN 0.595 nan 8.150 nan 0.000 0.494 15 D N 2.137 122.506 120.400 -0.051 0.000 2.348 15 D HA 0.158 4.811 4.640 0.022 0.000 0.253 15 D C -1.317 174.947 176.300 -0.059 0.000 1.161 15 D CA -1.403 52.553 54.000 -0.073 0.000 0.876 15 D CB 1.181 41.930 40.800 -0.084 0.000 1.160 15 D HN 0.263 nan 8.370 nan 0.000 0.459 16 P HA -0.098 nan 4.420 nan 0.000 0.221 16 P C 1.387 178.665 177.300 -0.037 0.000 1.145 16 P CA 0.914 63.983 63.100 -0.051 0.000 0.795 16 P CB 0.649 32.307 31.700 -0.069 0.000 0.775 17 I N -1.480 119.057 120.570 -0.056 0.000 3.132 17 I HA 0.001 4.184 4.170 0.022 0.000 0.255 17 I C 2.428 178.546 176.117 0.002 0.000 1.118 17 I CA 0.207 61.496 61.300 -0.019 0.000 1.463 17 I CB -0.338 37.646 38.000 -0.027 0.000 1.356 17 I HN -0.258 nan 8.210 nan 0.000 0.463 18 L N 0.924 122.135 121.223 -0.021 0.000 2.275 18 L HA -0.021 4.332 4.340 0.022 0.000 0.215 18 L C 2.407 179.270 176.870 -0.011 0.000 1.119 18 L CA 1.139 55.972 54.840 -0.011 0.000 0.790 18 L CB -0.907 41.138 42.059 -0.025 0.000 0.919 18 L HN 0.335 nan 8.230 nan 0.000 0.443 19 G N 0.017 108.810 108.800 -0.012 0.000 2.534 19 G HA2 -0.109 3.864 3.960 0.022 0.000 0.217 19 G HA3 -0.109 3.864 3.960 0.022 0.000 0.217 19 G C 1.621 176.533 174.900 0.020 0.000 1.128 19 G CA 0.071 45.170 45.100 -0.003 0.000 0.784 19 G HN 0.230 nan 8.290 nan 0.000 0.542 20 L N 0.474 121.718 121.223 0.036 0.000 2.093 20 L HA -0.055 4.298 4.340 0.022 0.000 0.208 20 L C 3.358 180.228 176.870 0.000 0.000 1.085 20 L CA 0.849 55.733 54.840 0.074 0.000 0.755 20 L CB -0.361 41.762 42.059 0.105 0.000 0.904 20 L HN 0.296 nan 8.230 nan 0.000 0.435 21 A N 0.212 123.020 122.820 -0.020 0.000 1.892 21 A HA -0.263 4.070 4.320 0.022 0.000 0.218 21 A C 1.943 179.490 177.584 -0.063 0.000 1.188 21 A CA 2.157 54.162 52.037 -0.054 0.000 0.631 21 A CB -0.559 18.419 19.000 -0.037 0.000 0.822 21 A HN 0.389 nan 8.150 nan 0.000 0.447 22 D N 0.056 120.435 120.400 -0.034 0.000 2.117 22 D HA -0.119 4.534 4.640 0.022 0.000 0.197 22 D C 2.000 178.284 176.300 -0.028 0.000 0.987 22 D CA 1.210 55.193 54.000 -0.028 0.000 0.829 22 D CB -0.378 40.414 40.800 -0.013 0.000 0.961 22 D HN 0.485 nan 8.370 nan 0.000 0.460 23 L N 0.370 121.591 121.223 -0.004 0.000 2.046 23 L HA -0.132 4.222 4.340 0.022 0.000 0.208 23 L C 2.653 179.469 176.870 -0.090 0.000 1.077 23 L CA 0.600 55.464 54.840 0.040 0.000 0.747 23 L CB -0.418 41.764 42.059 0.205 0.000 0.896 23 L HN 0.008 nan 8.230 nan 0.000 0.432 24 L N -0.509 120.539 121.223 -0.293 0.000 2.079 24 L HA -0.228 4.125 4.340 0.022 0.000 0.210 24 L C 2.825 179.559 176.870 -0.226 0.000 1.081 24 L CA 0.964 55.513 54.840 -0.486 0.000 0.752 24 L CB -0.353 41.430 42.059 -0.460 0.000 0.896 24 L HN 0.203 nan 8.230 nan 0.000 0.433 25 R N 0.130 120.549 120.500 -0.135 0.000 2.073 25 R HA -0.140 4.213 4.340 0.022 0.000 0.234 25 R C 2.261 178.529 176.300 -0.054 0.000 1.134 25 R CA 1.692 57.745 56.100 -0.080 0.000 0.952 25 R CB -0.550 29.717 30.300 -0.055 0.000 0.850 25 R HN 0.343 nan 8.270 nan 0.000 0.433 26 A N 0.480 123.278 122.820 -0.037 0.000 1.845 26 A HA -0.125 4.208 4.320 0.022 0.000 0.215 26 A C 0.741 178.324 177.584 -0.000 0.000 1.195 26 A CA 1.165 53.196 52.037 -0.009 0.000 0.616 26 A CB -0.849 18.157 19.000 0.011 0.000 0.832 26 A HN 0.447 nan 8.150 nan 0.000 0.443 27 D N 1.048 121.455 120.400 0.012 0.000 2.570 27 D HA -0.043 4.610 4.640 0.022 0.000 0.243 27 D C 0.618 176.923 176.300 0.010 0.000 1.171 27 D CA 0.604 54.629 54.000 0.042 0.000 0.879 27 D CB 0.341 41.204 40.800 0.105 0.000 1.143 27 D HN 0.663 nan 8.370 nan 0.000 0.511 28 E N 3.018 123.229 120.200 0.017 0.000 2.463 28 E HA 0.078 4.441 4.350 0.022 0.000 0.193 28 E C 0.259 176.868 176.600 0.014 0.000 1.041 28 E CA -0.415 55.989 56.400 0.007 0.000 0.879 28 E CB 0.329 30.032 29.700 0.005 0.000 0.997 28 E HN 0.272 nan 8.360 nan 0.000 0.478 29 R N 1.922 122.439 120.500 0.029 0.000 2.537 29 R HA 0.072 4.425 4.340 0.022 0.000 0.280 29 R C -1.580 174.737 176.300 0.028 0.000 1.058 29 R CA -1.206 54.914 56.100 0.034 0.000 1.057 29 R CB 0.230 30.563 30.300 0.055 0.000 0.973 29 R HN -0.029 nan 8.270 nan 0.000 0.438 30 P HA -0.174 nan 4.420 nan 0.000 0.213 30 P C 0.595 177.908 177.300 0.023 0.000 1.176 30 P CA 1.287 64.399 63.100 0.018 0.000 0.919 30 P CB 0.154 31.865 31.700 0.018 0.000 0.791 31 G N 0.056 108.877 108.800 0.035 0.000 4.198 31 G HA2 0.186 4.159 3.960 0.022 0.000 0.282 31 G HA3 0.186 4.159 3.960 0.022 0.000 0.282 31 G C -0.248 174.689 174.900 0.063 0.000 1.262 31 G CA -0.481 44.643 45.100 0.040 0.000 1.473 31 G HN 0.269 nan 8.290 nan 0.000 0.624 32 K N 0.129 120.569 120.400 0.066 0.000 2.237 32 K HA 0.483 4.816 4.320 0.022 0.000 0.270 32 K C -0.603 176.051 176.600 0.090 0.000 1.015 32 K CA -0.402 55.954 56.287 0.115 0.000 0.949 32 K CB 1.631 34.198 32.500 0.112 0.000 0.976 32 K HN 0.064 nan 8.250 nan 0.000 0.472 33 I N 2.001 122.657 120.570 0.143 0.000 2.355 33 I HA 0.058 4.241 4.170 0.022 0.000 0.288 33 I C -0.637 175.557 176.117 0.127 0.000 0.999 33 I CA -0.850 60.508 61.300 0.097 0.000 1.163 33 I CB 1.491 39.538 38.000 0.077 0.000 1.316 33 I HN 0.692 nan 8.210 nan 0.000 0.454 34 D N 8.097 128.528 120.400 0.051 0.000 2.411 34 D HA 0.269 4.922 4.640 0.022 0.000 0.225 34 D C -0.009 176.320 176.300 0.049 0.000 1.156 34 D CA 0.012 54.038 54.000 0.043 0.000 0.874 34 D CB 0.809 41.588 40.800 -0.035 0.000 1.034 34 D HN 0.456 nan 8.370 nan 0.000 0.502 35 L N 3.261 124.543 121.223 0.097 0.000 3.202 35 L HA 0.387 4.740 4.340 0.022 0.000 0.278 35 L C 1.571 178.521 176.870 0.133 0.000 1.268 35 L CA -0.562 54.330 54.840 0.085 0.000 1.034 35 L CB 1.017 43.117 42.059 0.068 0.000 1.407 35 L HN 0.411 nan 8.230 nan 0.000 0.581 36 G N 0.314 109.192 108.800 0.129 0.000 2.535 36 G HA2 0.127 4.100 3.960 0.022 0.000 0.210 36 G HA3 0.127 4.100 3.960 0.022 0.000 0.210 36 G C 0.606 175.602 174.900 0.160 0.000 1.593 36 G CA -0.401 44.781 45.100 0.137 0.000 0.948 36 G HN 0.061 nan 8.290 nan 0.000 0.476 37 M N 1.509 121.182 119.600 0.121 0.000 2.246 37 M HA 0.195 4.688 4.480 0.022 0.000 0.327 37 M C 1.136 177.565 176.300 0.214 0.000 1.090 37 M CA 0.340 55.729 55.300 0.150 0.000 1.087 37 M CB 0.531 33.173 32.600 0.070 0.000 1.587 37 M HN 0.244 nan 8.290 nan 0.000 0.444 38 G N 3.141 112.149 108.800 0.346 0.000 3.101 38 G HA2 0.427 4.401 3.960 0.022 0.000 0.272 38 G HA3 0.427 4.401 3.960 0.022 0.000 0.272 38 G C -0.506 174.476 174.900 0.136 0.000 0.801 38 G CA -0.368 44.933 45.100 0.335 0.000 1.978 38 G HN 0.488 nan 8.290 nan 0.000 0.591 39 V N 1.659 121.579 119.914 0.010 0.000 2.628 39 V HA 0.328 4.461 4.120 0.022 0.000 0.306 39 V C -0.493 175.615 176.094 0.024 0.000 1.045 39 V CA -1.266 60.970 62.300 -0.105 0.000 0.905 39 V CB 1.815 33.397 31.823 -0.401 0.000 0.997 39 V HN 0.555 nan 8.190 nan 0.000 0.436 40 Y N 4.559 124.917 120.300 0.096 0.000 2.359 40 Y HA 0.336 4.898 4.550 0.021 0.000 0.330 40 Y C 0.361 176.302 175.900 0.067 0.000 1.143 40 Y CA 0.209 58.372 58.100 0.105 0.000 1.318 40 Y CB 0.578 39.174 38.460 0.227 0.000 1.234 40 Y HN 0.639 nan 8.280 nan 0.000 0.522 41 N N 4.461 122.714 118.700 -0.746 0.000 2.272 41 N HA 0.164 4.918 4.740 0.022 0.000 0.305 41 N C -1.306 173.722 175.510 -0.803 0.000 1.103 41 N CA -0.622 52.127 53.050 -0.503 0.000 0.791 41 N CB 1.613 39.921 38.487 -0.299 0.000 1.356 41 N HN 0.729 nan 8.380 nan 0.000 0.486 42 D N -1.106 119.128 120.400 -0.276 0.000 2.506 42 D HA 0.053 4.706 4.640 0.022 0.000 0.272 42 D C 1.010 177.253 176.300 -0.094 0.000 1.214 42 D CA -0.292 53.656 54.000 -0.087 0.000 1.067 42 D CB 0.359 41.225 40.800 0.110 0.000 1.117 42 D HN 0.567 nan 8.370 nan 0.000 0.578 43 E N -1.519 118.668 120.200 -0.022 0.000 2.331 43 E HA -0.205 4.158 4.350 0.022 0.000 0.199 43 E C 0.982 177.566 176.600 -0.026 0.000 1.008 43 E CA 1.387 57.772 56.400 -0.025 0.000 0.843 43 E CB -0.721 28.980 29.700 0.002 0.000 0.761 43 E HN 0.561 nan 8.360 nan 0.000 0.507 44 T N -3.177 111.366 114.554 -0.019 0.000 3.122 44 T HA 0.375 4.738 4.350 0.022 0.000 0.250 44 T C 1.360 176.044 174.700 -0.026 0.000 1.067 44 T CA 0.110 62.202 62.100 -0.014 0.000 0.966 44 T CB 0.479 69.348 68.868 0.002 0.000 1.002 44 T HN 0.374 nan 8.240 nan 0.000 0.542 45 G N 1.656 110.425 108.800 -0.052 0.000 2.176 45 G HA2 -0.198 3.775 3.960 0.022 0.000 0.252 45 G HA3 -0.198 3.775 3.960 0.022 0.000 0.252 45 G C -0.176 174.696 174.900 -0.047 0.000 1.024 45 G CA -0.032 45.031 45.100 -0.061 0.000 0.755 45 G HN 0.603 nan 8.290 nan 0.000 0.507 46 K N -0.084 120.296 120.400 -0.032 0.000 2.267 46 K HA 0.646 4.979 4.320 0.022 0.000 0.246 46 K C -0.295 176.319 176.600 0.024 0.000 0.954 46 K CA -0.570 55.716 56.287 -0.001 0.000 0.824 46 K CB 1.720 34.233 32.500 0.023 0.000 1.167 46 K HN 0.031 nan 8.250 nan 0.000 0.431 47 T N 4.333 118.916 114.554 0.049 0.000 3.145 47 T HA 0.254 4.618 4.350 0.022 0.000 0.362 47 T C -1.897 172.902 174.700 0.165 0.000 1.340 47 T CA -1.165 61.008 62.100 0.123 0.000 1.069 47 T CB 0.450 69.354 68.868 0.059 0.000 1.129 47 T HN 0.360 nan 8.240 nan 0.000 0.585 48 P HA 0.361 nan 4.420 nan 0.000 0.276 48 P C -0.536 176.870 177.300 0.176 0.000 1.252 48 P CA -0.486 62.709 63.100 0.159 0.000 0.802 48 P CB 0.904 32.690 31.700 0.144 0.000 1.035 49 V N 2.121 122.118 119.914 0.137 0.000 2.498 49 V HA 0.052 4.185 4.120 0.022 0.000 0.279 49 V C 0.904 177.066 176.094 0.112 0.000 1.048 49 V CA -0.655 61.723 62.300 0.131 0.000 0.967 49 V CB 0.460 32.349 31.823 0.109 0.000 0.988 49 V HN 0.377 nan 8.190 nan 0.000 0.473 50 L N 4.280 125.570 121.223 0.112 0.000 2.483 50 L HA 0.100 4.453 4.340 0.022 0.000 0.276 50 L C 1.786 178.704 176.870 0.080 0.000 1.213 50 L CA 0.957 55.850 54.840 0.089 0.000 0.843 50 L CB 0.209 42.330 42.059 0.103 0.000 1.107 50 L HN 0.782 nan 8.230 nan 0.000 0.487 51 T N -0.239 114.352 114.554 0.061 0.000 2.788 51 T HA -0.153 4.210 4.350 0.022 0.000 0.268 51 T C 1.846 176.582 174.700 0.060 0.000 1.044 51 T CA 1.622 63.754 62.100 0.053 0.000 1.139 51 T CB -0.086 68.804 68.868 0.036 0.000 0.867 51 T HN 0.846 nan 8.240 nan 0.000 0.454 52 S N 1.159 116.903 115.700 0.074 0.000 2.382 52 S HA -0.075 4.408 4.470 0.022 0.000 0.228 52 S C 2.145 176.789 174.600 0.074 0.000 1.027 52 S CA 0.829 59.079 58.200 0.083 0.000 0.991 52 S CB -0.863 62.423 63.200 0.142 0.000 0.823 52 S HN 0.300 nan 8.310 nan 0.000 0.469 53 V N 2.133 122.101 119.914 0.089 0.000 2.358 53 V HA -0.090 4.044 4.120 0.022 0.000 0.246 53 V C 2.794 178.926 176.094 0.064 0.000 1.047 53 V CA 1.598 63.943 62.300 0.075 0.000 1.035 53 V CB -0.551 31.332 31.823 0.101 0.000 0.658 53 V HN 0.386 nan 8.190 nan 0.000 0.452 54 K N 0.440 120.884 120.400 0.072 0.000 2.057 54 K HA -0.167 4.166 4.320 0.022 0.000 0.207 54 K C 2.131 178.772 176.600 0.067 0.000 1.049 54 K CA 1.430 57.759 56.287 0.071 0.000 0.931 54 K CB -0.333 32.205 32.500 0.064 0.000 0.714 54 K HN 0.463 nan 8.250 nan 0.000 0.440 55 K N 0.328 120.764 120.400 0.060 0.000 2.057 55 K HA -0.062 4.271 4.320 0.022 0.000 0.206 55 K C 2.219 178.863 176.600 0.073 0.000 1.050 55 K CA 1.209 57.533 56.287 0.062 0.000 0.935 55 K CB -0.153 32.375 32.500 0.048 0.000 0.715 55 K HN 0.089 nan 8.250 nan 0.000 0.439 56 A N 1.741 124.585 122.820 0.040 0.000 1.902 56 A HA -0.203 4.131 4.320 0.022 0.000 0.217 56 A C 1.876 179.503 177.584 0.071 0.000 1.181 56 A CA 1.477 53.525 52.037 0.017 0.000 0.623 56 A CB -0.364 18.603 19.000 -0.056 0.000 0.818 56 A HN 0.289 nan 8.150 nan 0.000 0.443 57 E N -0.996 119.243 120.200 0.065 0.000 2.204 57 E HA -0.230 4.133 4.350 0.022 0.000 0.194 57 E C 2.177 178.851 176.600 0.124 0.000 0.989 57 E CA 1.225 57.693 56.400 0.113 0.000 0.824 57 E CB -0.071 29.725 29.700 0.160 0.000 0.756 57 E HN 0.734 nan 8.360 nan 0.000 0.477 58 Q N 0.301 120.167 119.800 0.109 0.000 2.046 58 Q HA -0.217 4.137 4.340 0.022 0.000 0.200 58 Q C 1.868 177.929 176.000 0.101 0.000 0.975 58 Q CA 1.471 57.328 55.803 0.090 0.000 0.836 58 Q CB -0.486 28.302 28.738 0.083 0.000 0.896 58 Q HN 0.387 nan 8.270 nan 0.000 0.428 59 Y N 0.235 120.539 120.300 0.007 0.000 2.165 59 Y HA -0.189 4.371 4.550 0.016 0.000 0.286 59 Y C 1.657 177.556 175.900 -0.002 0.000 1.155 59 Y CA 1.832 59.931 58.100 -0.001 0.000 1.164 59 Y CB -0.137 38.317 38.460 -0.010 0.000 0.978 59 Y HN 0.168 nan 8.280 nan 0.000 0.513 60 L N -0.798 120.547 121.223 0.203 0.000 2.046 60 L HA -0.205 4.148 4.340 0.022 0.000 0.208 60 L C 2.401 179.283 176.870 0.020 0.000 1.077 60 L CA 1.060 55.966 54.840 0.110 0.000 0.747 60 L CB -0.734 41.395 42.059 0.116 0.000 0.896 60 L HN 0.319 nan 8.230 nan 0.000 0.432 61 L N 0.048 121.290 121.223 0.031 0.000 2.079 61 L HA -0.211 4.142 4.340 0.022 0.000 0.210 61 L C 2.258 179.101 176.870 -0.044 0.000 1.081 61 L CA 1.840 56.682 54.840 0.004 0.000 0.752 61 L CB -0.406 41.663 42.059 0.016 0.000 0.896 61 L HN 0.248 nan 8.230 nan 0.000 0.433 62 E N -1.367 118.778 120.200 -0.091 0.000 2.250 62 E HA -0.036 4.327 4.350 0.022 0.000 0.192 62 E C 1.276 177.769 176.600 -0.178 0.000 0.986 62 E CA 0.821 57.144 56.400 -0.128 0.000 0.849 62 E CB 0.049 29.663 29.700 -0.144 0.000 0.797 62 E HN 0.559 nan 8.360 nan 0.000 0.482 63 N N 0.173 118.723 118.700 -0.250 0.000 2.294 63 N HA 0.038 4.791 4.740 0.022 0.000 0.186 63 N C 0.250 175.691 175.510 -0.115 0.000 1.107 63 N CA 0.031 52.937 53.050 -0.241 0.000 0.884 63 N CB 0.623 38.837 38.487 -0.455 0.000 1.030 63 N HN 0.035 nan 8.380 nan 0.000 0.482 67 T N 0.402 114.942 114.554 -0.024 0.000 2.830 67 T HA 0.572 4.935 4.350 0.022 0.000 0.322 67 T C -1.621 173.056 174.700 -0.038 0.000 1.501 67 T CA -0.618 61.463 62.100 -0.031 0.000 1.036 67 T CB 2.030 70.882 68.868 -0.026 0.000 1.379 67 T HN 0.115 nan 8.240 nan 0.000 0.493 68 K N 1.695 122.058 120.400 -0.061 0.000 2.592 68 K HA 0.248 4.581 4.320 0.022 0.000 0.203 68 K C 0.125 176.644 176.600 -0.135 0.000 1.070 68 K CA -0.544 55.696 56.287 -0.080 0.000 1.062 68 K CB 0.324 32.773 32.500 -0.084 0.000 0.814 68 K HN 0.399 nan 8.250 nan 0.000 0.502 69 N N 1.015 119.649 118.700 -0.110 0.000 2.395 69 N HA -0.092 4.661 4.740 0.022 0.000 0.246 69 N C -0.552 174.903 175.510 -0.090 0.000 1.246 69 N CA 0.296 53.267 53.050 -0.133 0.000 0.879 69 N CB 0.276 38.740 38.487 -0.037 0.000 1.098 69 N HN -0.045 nan 8.380 nan 0.000 0.444 70 Y N 1.403 121.708 120.300 0.008 0.000 2.993 70 Y HA -0.072 4.493 4.550 0.025 0.000 0.340 70 Y C 0.911 176.819 175.900 0.013 0.000 1.273 70 Y CA 0.454 58.561 58.100 0.012 0.000 1.545 70 Y CB 0.066 38.534 38.460 0.014 0.000 1.275 70 Y HN 0.290 nan 8.280 nan 0.000 0.617 71 L N 2.165 123.504 121.223 0.194 0.000 2.454 71 L HA 0.478 4.832 4.340 0.022 0.000 0.256 71 L C 1.230 178.171 176.870 0.118 0.000 1.136 71 L CA -0.623 54.286 54.840 0.115 0.000 0.804 71 L CB 0.371 42.476 42.059 0.076 0.000 1.181 71 L HN 0.809 nan 8.230 nan 0.000 0.469 72 G N -0.244 108.608 108.800 0.088 0.000 2.634 72 G HA2 0.236 4.209 3.960 0.022 0.000 0.255 72 G HA3 0.236 4.209 3.960 0.022 0.000 0.255 72 G C 0.817 175.757 174.900 0.066 0.000 1.205 72 G CA -0.454 44.688 45.100 0.071 0.000 0.884 72 G HN 0.490 nan 8.290 nan 0.000 0.549 73 I N 0.859 121.449 120.570 0.033 0.000 2.194 73 I HA -0.164 4.019 4.170 0.022 0.000 0.246 73 I C 2.318 178.468 176.117 0.054 0.000 1.093 73 I CA 1.717 63.020 61.300 0.005 0.000 1.355 73 I CB -0.225 37.739 38.000 -0.061 0.000 1.046 73 I HN 0.620 nan 8.210 nan 0.000 0.413 74 D N -0.488 119.974 120.400 0.104 0.000 2.328 74 D HA 0.228 4.881 4.640 0.022 0.000 0.226 74 D C 1.193 177.606 176.300 0.189 0.000 1.066 74 D CA 0.790 54.908 54.000 0.196 0.000 0.861 74 D CB -0.446 40.578 40.800 0.374 0.000 0.912 74 D HN 0.350 nan 8.370 nan 0.000 0.521 75 G N 0.882 109.759 108.800 0.129 0.000 2.632 75 G HA2 -0.236 3.737 3.960 0.022 0.000 0.224 75 G HA3 -0.236 3.737 3.960 0.022 0.000 0.224 75 G C -0.345 174.605 174.900 0.084 0.000 1.341 75 G CA -0.373 44.777 45.100 0.082 0.000 0.880 75 G HN 0.315 nan 8.290 nan 0.000 0.566 76 I N 3.425 124.022 120.570 0.045 0.000 2.581 76 I HA 0.104 4.287 4.170 0.022 0.000 0.285 76 I C -0.220 175.979 176.117 0.137 0.000 1.129 76 I CA -0.981 60.361 61.300 0.069 0.000 1.397 76 I CB 1.015 39.031 38.000 0.026 0.000 1.399 76 I HN 0.435 nan 8.210 nan 0.000 0.537 77 P HA -0.215 nan 4.420 nan 0.000 0.216 77 P C 1.118 178.457 177.300 0.066 0.000 1.153 77 P CA 1.418 64.566 63.100 0.080 0.000 0.858 77 P CB 0.244 31.976 31.700 0.053 0.000 0.789 78 E N -0.806 119.428 120.200 0.057 0.000 2.077 78 E HA -0.170 4.193 4.350 0.022 0.000 0.193 78 E C 1.951 178.565 176.600 0.023 0.000 0.989 78 E CA 0.780 57.194 56.400 0.024 0.000 0.800 78 E CB -0.983 28.723 29.700 0.009 0.000 0.746 78 E HN 0.278 nan 8.360 nan 0.000 0.452 79 F N 1.215 121.115 119.950 -0.083 0.000 2.126 79 F HA -0.147 4.393 4.527 0.022 0.000 0.299 79 F C 2.185 177.950 175.800 -0.059 0.000 1.096 79 F CA 2.025 59.957 58.000 -0.113 0.000 1.255 79 F CB -0.544 38.388 39.000 -0.113 0.000 0.997 79 F HN 0.017 nan 8.300 nan 0.000 0.479 80 G N 0.056 108.865 108.800 0.014 0.000 2.408 80 G HA2 -0.263 3.711 3.960 0.022 0.000 0.217 80 G HA3 -0.263 3.711 3.960 0.022 0.000 0.217 80 G C 1.801 176.632 174.900 -0.115 0.000 1.150 80 G CA 0.689 45.750 45.100 -0.066 0.000 0.776 80 G HN 0.397 nan 8.290 nan 0.000 0.542 81 R N -0.297 120.157 120.500 -0.076 0.000 2.070 81 R HA -0.099 4.255 4.340 0.022 0.000 0.233 81 R C 2.551 178.793 176.300 -0.096 0.000 1.137 81 R CA 1.875 57.937 56.100 -0.063 0.000 0.945 81 R CB -0.803 29.473 30.300 -0.040 0.000 0.845 81 R HN 0.326 nan 8.270 nan 0.000 0.430 82 C N 0.223 119.436 119.300 -0.144 0.000 2.411 82 C HA -0.058 4.416 4.460 0.022 0.000 0.279 82 C C 2.666 177.545 174.990 -0.186 0.000 1.288 82 C CA 1.260 60.179 59.018 -0.164 0.000 1.764 82 C CB -0.942 26.669 27.740 -0.216 0.000 1.974 82 C HN 0.619 nan 8.230 nan 0.000 0.498 83 T N 0.276 114.659 114.554 -0.284 0.000 2.821 83 T HA -0.179 4.184 4.350 0.022 0.000 0.267 83 T C 1.863 176.458 174.700 -0.176 0.000 1.046 83 T CA 1.330 63.288 62.100 -0.236 0.000 1.139 83 T CB -0.242 68.409 68.868 -0.362 0.000 0.871 83 T HN 0.643 nan 8.240 nan 0.000 0.454 84 Q N 0.465 120.188 119.800 -0.128 0.000 2.119 84 Q HA -0.077 4.276 4.340 0.022 0.000 0.201 84 Q C 2.371 178.357 176.000 -0.025 0.000 0.972 84 Q CA 1.097 56.867 55.803 -0.055 0.000 0.847 84 Q CB -0.042 28.745 28.738 0.081 0.000 0.903 84 Q HN 0.608 nan 8.270 nan 0.000 0.433 85 E N 0.316 120.504 120.200 -0.020 0.000 2.072 85 E HA -0.187 4.176 4.350 0.022 0.000 0.191 85 E C 1.884 178.479 176.600 -0.009 0.000 0.985 85 E CA 0.655 57.060 56.400 0.007 0.000 0.801 85 E CB 0.001 29.700 29.700 -0.002 0.000 0.750 85 E HN 0.142 nan 8.360 nan 0.000 0.452 86 L N 0.743 121.946 121.223 -0.033 0.000 2.131 86 L HA -0.150 4.203 4.340 0.022 0.000 0.210 86 L C 1.933 178.780 176.870 -0.039 0.000 1.092 86 L CA 1.416 56.256 54.840 -0.000 0.000 0.759 86 L CB -0.129 41.952 42.059 0.037 0.000 0.903 86 L HN 0.118 nan 8.230 nan 0.000 0.435 87 L N -2.801 118.307 121.223 -0.193 0.000 2.130 87 L HA -0.060 4.293 4.340 0.022 0.000 0.200 87 L C 1.787 178.411 176.870 -0.409 0.000 1.075 87 L CA 0.720 55.325 54.840 -0.393 0.000 0.768 87 L CB -0.400 41.147 42.059 -0.855 0.000 0.933 87 L HN 0.105 nan 8.230 nan 0.000 0.451 88 F N -0.033 119.897 119.950 -0.033 0.000 2.749 88 F HA 0.420 4.961 4.527 0.023 0.000 0.300 88 F C 1.117 176.898 175.800 -0.030 0.000 1.103 88 F CA -0.045 57.924 58.000 -0.051 0.000 1.342 88 F CB -0.261 38.706 39.000 -0.055 0.000 1.098 88 F HN 0.068 nan 8.300 nan 0.000 0.586 89 G N 0.530 109.401 108.800 0.119 0.000 3.067 89 G HA2 -0.184 3.789 3.960 0.022 0.000 0.686 89 G HA3 -0.184 3.789 3.960 0.022 0.000 0.686 89 G C 0.293 175.235 174.900 0.070 0.000 1.119 89 G CA -0.761 44.386 45.100 0.078 0.000 0.790 89 G HN 0.117 nan 8.290 nan 0.000 0.605 90 K N 0.686 121.113 120.400 0.045 0.000 2.207 90 K HA -0.109 4.225 4.320 0.022 0.000 0.208 90 K C 2.264 178.882 176.600 0.030 0.000 1.046 90 K CA 2.442 58.748 56.287 0.033 0.000 0.929 90 K CB -0.005 32.509 32.500 0.023 0.000 0.720 90 K HN 1.098 nan 8.250 nan 0.000 0.463 91 G N -0.404 108.413 108.800 0.029 0.000 3.863 91 G HA2 0.066 4.039 3.960 0.022 0.000 0.290 91 G HA3 0.066 4.039 3.960 0.022 0.000 0.290 91 G C -0.349 174.561 174.900 0.016 0.000 1.018 91 G CA -0.334 44.777 45.100 0.019 0.000 0.824 91 G HN 0.191 nan 8.290 nan 0.000 0.507 92 S N -0.012 115.707 115.700 0.032 0.000 2.559 92 S HA 0.308 4.791 4.470 0.022 0.000 0.282 92 S C 1.941 176.527 174.600 -0.023 0.000 1.336 92 S CA 0.484 58.694 58.200 0.016 0.000 1.037 92 S CB 0.986 64.221 63.200 0.058 0.000 0.853 92 S HN 0.624 nan 8.310 nan 0.000 0.523 93 A N 4.429 127.219 122.820 -0.050 0.000 1.968 93 A HA 0.076 4.410 4.320 0.022 0.000 0.217 93 A C 2.150 179.676 177.584 -0.097 0.000 1.169 93 A CA 1.011 53.010 52.037 -0.063 0.000 0.638 93 A CB -0.662 18.301 19.000 -0.061 0.000 0.812 93 A HN 0.861 nan 8.150 nan 0.000 0.446 94 L N -0.480 120.641 121.223 -0.169 0.000 2.042 94 L HA -0.215 4.138 4.340 0.022 0.000 0.210 94 L C 2.421 179.201 176.870 -0.151 0.000 1.076 94 L CA 1.435 56.127 54.840 -0.246 0.000 0.749 94 L CB -0.580 41.137 42.059 -0.569 0.000 0.893 94 L HN 0.408 nan 8.230 nan 0.000 0.432 95 I N -0.542 119.976 120.570 -0.086 0.000 2.286 95 I HA -0.215 3.968 4.170 0.022 0.000 0.245 95 I C 2.207 178.304 176.117 -0.032 0.000 1.104 95 I CA 0.799 62.082 61.300 -0.029 0.000 1.397 95 I CB -0.435 37.577 38.000 0.020 0.000 1.072 95 I HN 0.321 nan 8.210 nan 0.000 0.417 96 N N 1.041 119.722 118.700 -0.033 0.000 2.084 96 N HA -0.168 4.585 4.740 0.022 0.000 0.190 96 N C 1.119 176.610 175.510 -0.032 0.000 1.030 96 N CA 1.391 54.425 53.050 -0.027 0.000 0.849 96 N CB -0.370 38.103 38.487 -0.024 0.000 1.012 96 N HN 0.344 nan 8.380 nan 0.000 0.423 97 D N 1.008 121.381 120.400 -0.044 0.000 2.336 97 D HA 0.012 4.665 4.640 0.022 0.000 0.229 97 D C 0.047 176.321 176.300 -0.044 0.000 1.061 97 D CA 0.168 54.142 54.000 -0.042 0.000 0.875 97 D CB 0.065 40.836 40.800 -0.049 0.000 0.904 97 D HN 0.247 nan 8.370 nan 0.000 0.525 98 K N 0.032 120.403 120.400 -0.048 0.000 3.077 98 K HA -0.241 4.092 4.320 0.022 0.000 0.264 98 K C 0.739 177.304 176.600 -0.059 0.000 1.008 98 K CA 0.232 56.489 56.287 -0.050 0.000 0.740 98 K CB -1.061 31.418 32.500 -0.036 0.000 1.273 98 K HN 0.219 nan 8.250 nan 0.000 0.477 99 R N -0.295 120.159 120.500 -0.077 0.000 2.317 99 R HA 0.180 4.533 4.340 0.022 0.000 0.208 99 R C 0.491 176.739 176.300 -0.087 0.000 0.914 99 R CA 0.590 56.644 56.100 -0.077 0.000 1.060 99 R CB 0.647 30.890 30.300 -0.095 0.000 1.015 99 R HN 0.301 nan 8.270 nan 0.000 0.498 100 A N 0.961 123.724 122.820 -0.095 0.000 2.386 100 A HA 0.686 5.019 4.320 0.022 0.000 0.311 100 A C -0.801 176.699 177.584 -0.140 0.000 1.068 100 A CA -0.830 51.161 52.037 -0.077 0.000 0.743 100 A CB 1.387 20.384 19.000 -0.005 0.000 1.258 100 A HN -0.025 nan 8.150 nan 0.000 0.429 101 R N 0.761 121.120 120.500 -0.235 0.000 2.621 101 R HA 0.728 5.081 4.340 0.022 0.000 0.292 101 R C -1.311 174.735 176.300 -0.422 0.000 0.969 101 R CA -0.405 55.358 56.100 -0.561 0.000 0.887 101 R CB 1.832 31.399 30.300 -1.223 0.000 1.180 101 R HN 0.713 nan 8.270 nan 0.000 0.450 102 T N 0.951 115.313 114.554 -0.320 0.000 2.848 102 T HA 0.651 5.015 4.350 0.022 0.000 0.285 102 T C -0.763 174.058 174.700 0.202 0.000 0.995 102 T CA -0.604 61.493 62.100 -0.005 0.000 0.970 102 T CB 1.935 70.812 68.868 0.015 0.000 0.976 102 T HN 0.600 nan 8.240 nan 0.000 0.441 103 A N 3.006 126.046 122.820 0.366 0.000 2.303 103 A HA 0.626 4.959 4.320 0.022 0.000 0.320 103 A C 0.035 177.810 177.584 0.318 0.000 1.192 103 A CA -0.736 51.539 52.037 0.396 0.000 0.821 103 A CB 0.867 20.072 19.000 0.343 0.000 1.188 103 A HN 0.790 nan 8.150 nan 0.000 0.492 104 Q N 1.636 121.619 119.800 0.305 0.000 2.332 104 Q HA 0.434 4.787 4.340 0.022 0.000 0.263 104 Q C -0.074 176.012 176.000 0.142 0.000 0.979 104 Q CA 0.405 56.352 55.803 0.241 0.000 0.885 104 Q CB 0.537 29.248 28.738 -0.044 0.000 1.218 104 Q HN 0.837 nan 8.270 nan 0.000 0.405 105 T N 0.419 115.029 114.554 0.094 0.000 2.887 105 T HA 0.577 4.940 4.350 0.022 0.000 0.292 105 T C -2.720 171.910 174.700 -0.118 0.000 1.087 105 T CA -1.995 60.120 62.100 0.025 0.000 1.009 105 T CB 1.816 70.749 68.868 0.109 0.000 1.203 105 T HN 0.497 nan 8.240 nan 0.000 0.518 106 P HA 0.414 nan 4.420 nan 0.000 0.252 106 P C 0.698 177.937 177.300 -0.102 0.000 1.727 106 P CA 0.622 63.578 63.100 -0.239 0.000 1.134 106 P CB -0.475 30.987 31.700 -0.397 0.000 1.876 107 G N 2.631 111.403 108.800 -0.046 0.000 2.795 107 G HA2 -0.134 3.839 3.960 0.022 0.000 0.664 107 G HA3 -0.134 3.839 3.960 0.022 0.000 0.664 107 G C 0.874 175.784 174.900 0.017 0.000 1.381 107 G CA -0.503 44.596 45.100 -0.002 0.000 0.853 107 G HN 0.424 nan 8.290 nan 0.000 0.545 108 G N -1.271 107.535 108.800 0.009 0.000 2.422 108 G HA2 0.090 4.063 3.960 0.022 0.000 0.218 108 G HA3 0.090 4.063 3.960 0.022 0.000 0.218 108 G C 1.839 176.783 174.900 0.073 0.000 1.140 108 G CA 2.353 47.462 45.100 0.014 0.000 0.775 108 G HN 1.227 nan 8.290 nan 0.000 0.545 109 T N 1.024 115.638 114.554 0.100 0.000 2.746 109 T HA -0.048 4.315 4.350 0.022 0.000 0.267 109 T C 2.516 177.259 174.700 0.071 0.000 1.039 109 T CA 1.415 63.596 62.100 0.136 0.000 1.142 109 T CB -0.553 68.400 68.868 0.143 0.000 0.866 109 T HN 0.340 nan 8.240 nan 0.000 0.444 110 G N 1.068 109.896 108.800 0.047 0.000 2.442 110 G HA2 -0.063 3.910 3.960 0.022 0.000 0.219 110 G HA3 -0.063 3.910 3.960 0.022 0.000 0.219 110 G C 1.805 176.759 174.900 0.090 0.000 1.141 110 G CA 0.907 46.034 45.100 0.045 0.000 0.763 110 G HN 0.585 nan 8.290 nan 0.000 0.554 111 A N 0.487 123.361 122.820 0.090 0.000 1.930 111 A HA 0.132 4.465 4.320 0.022 0.000 0.217 111 A C 2.412 180.066 177.584 0.118 0.000 1.175 111 A CA 1.144 53.251 52.037 0.116 0.000 0.627 111 A CB -0.338 18.727 19.000 0.109 0.000 0.815 111 A HN 0.360 nan 8.150 nan 0.000 0.443 112 L N -1.241 120.042 121.223 0.099 0.000 2.093 112 L HA -0.131 4.222 4.340 0.022 0.000 0.208 112 L C 2.828 179.684 176.870 -0.022 0.000 1.085 112 L CA 1.057 55.937 54.840 0.067 0.000 0.755 112 L CB -0.436 41.648 42.059 0.041 0.000 0.904 112 L HN 0.289 nan 8.230 nan 0.000 0.435 113 R N 0.174 120.667 120.500 -0.012 0.000 2.075 113 R HA -0.086 4.267 4.340 0.022 0.000 0.232 113 R C 2.123 178.464 176.300 0.067 0.000 1.126 113 R CA 1.251 57.343 56.100 -0.013 0.000 0.963 113 R CB -0.594 29.716 30.300 0.016 0.000 0.858 113 R HN 0.185 nan 8.270 nan 0.000 0.435 114 V N 1.124 121.104 119.914 0.111 0.000 2.358 114 V HA -0.208 3.925 4.120 0.022 0.000 0.246 114 V C 2.551 178.751 176.094 0.177 0.000 1.047 114 V CA 1.805 64.183 62.300 0.129 0.000 1.035 114 V CB -0.854 31.047 31.823 0.131 0.000 0.658 114 V HN 0.397 nan 8.190 nan 0.000 0.452 115 A N 0.020 122.956 122.820 0.192 0.000 1.883 115 A HA -0.161 4.173 4.320 0.022 0.000 0.217 115 A C 2.439 180.241 177.584 0.364 0.000 1.186 115 A CA 2.244 54.455 52.037 0.289 0.000 0.624 115 A CB -0.854 18.320 19.000 0.290 0.000 0.822 115 A HN 0.571 nan 8.150 nan 0.000 0.444 116 A N 0.068 123.063 122.820 0.292 0.000 1.877 116 A HA -0.206 4.127 4.320 0.022 0.000 0.216 116 A C 1.795 179.499 177.584 0.200 0.000 1.186 116 A CA 1.988 54.202 52.037 0.294 0.000 0.620 116 A CB -0.688 18.390 19.000 0.130 0.000 0.822 116 A HN 0.466 nan 8.150 nan 0.000 0.443 117 D N -1.101 119.391 120.400 0.153 0.000 2.117 117 D HA -0.131 4.522 4.640 0.022 0.000 0.197 117 D C 1.612 177.991 176.300 0.131 0.000 0.987 117 D CA 1.328 55.395 54.000 0.111 0.000 0.829 117 D CB -0.506 40.343 40.800 0.083 0.000 0.961 117 D HN 0.468 nan 8.370 nan 0.000 0.460 118 F N 1.561 121.543 119.950 0.053 0.000 2.046 118 F HA -0.182 4.359 4.527 0.023 0.000 0.297 118 F C 2.100 177.939 175.800 0.064 0.000 1.123 118 F CA 1.362 59.392 58.000 0.050 0.000 1.199 118 F CB -0.546 38.494 39.000 0.066 0.000 0.972 118 F HN -0.114 nan 8.300 nan 0.000 0.474 119 L N 0.160 121.343 121.223 -0.067 0.000 2.017 119 L HA -0.206 4.147 4.340 0.022 0.000 0.208 119 L C 2.873 179.665 176.870 -0.131 0.000 1.073 119 L CA 1.322 56.061 54.840 -0.168 0.000 0.745 119 L CB -1.414 40.695 42.059 0.083 0.000 0.894 119 L HN 0.300 nan 8.230 nan 0.000 0.432 120 A N 0.347 123.151 122.820 -0.026 0.000 1.908 120 A HA -0.233 4.100 4.320 0.022 0.000 0.218 120 A C 2.298 179.849 177.584 -0.054 0.000 1.181 120 A CA 1.980 54.007 52.037 -0.018 0.000 0.627 120 A CB -0.340 18.675 19.000 0.025 0.000 0.818 120 A HN 0.407 nan 8.150 nan 0.000 0.445 121 K N -0.941 119.413 120.400 -0.076 0.000 2.262 121 K HA 0.070 4.403 4.320 0.022 0.000 0.200 121 K C 0.834 177.360 176.600 -0.123 0.000 1.049 121 K CA 0.931 57.172 56.287 -0.077 0.000 0.979 121 K CB 0.047 32.518 32.500 -0.047 0.000 0.773 121 K HN 0.395 nan 8.250 nan 0.000 0.474 122 N N 0.717 119.272 118.700 -0.242 0.000 2.220 122 N HA -0.004 4.749 4.740 0.022 0.000 0.195 122 N C 0.328 175.698 175.510 -0.233 0.000 1.123 122 N CA 0.491 53.380 53.050 -0.267 0.000 0.874 122 N CB 1.118 39.351 38.487 -0.423 0.000 0.995 122 N HN 0.235 nan 8.380 nan 0.000 0.498 123 T N -2.531 111.898 114.554 -0.209 0.000 2.831 123 T HA 0.286 4.649 4.350 0.022 0.000 0.287 123 T C 0.964 175.627 174.700 -0.060 0.000 1.070 123 T CA -0.559 61.469 62.100 -0.120 0.000 1.010 123 T CB 1.518 70.317 68.868 -0.115 0.000 1.264 123 T HN -0.068 nan 8.240 nan 0.000 0.532 124 S N -0.585 115.102 115.700 -0.022 0.000 2.593 124 S HA 0.206 4.689 4.470 0.022 0.000 0.217 124 S C 0.704 175.309 174.600 0.008 0.000 0.966 124 S CA -0.454 57.744 58.200 -0.002 0.000 0.914 124 S CB -0.636 62.572 63.200 0.014 0.000 0.776 124 S HN 0.658 nan 8.310 nan 0.000 0.523 125 V N 3.015 122.933 119.914 0.006 0.000 2.720 125 V HA 0.150 4.283 4.120 0.022 0.000 0.307 125 V C 0.408 176.504 176.094 0.004 0.000 1.071 125 V CA 0.500 62.811 62.300 0.017 0.000 1.199 125 V CB 0.116 31.949 31.823 0.016 0.000 0.900 125 V HN 0.396 nan 8.190 nan 0.000 0.494 134 W N 4.266 125.402 121.300 -0.274 0.000 2.391 134 W HA 0.761 5.433 4.660 0.022 0.000 0.311 134 W C -0.043 176.402 176.519 -0.122 0.000 1.087 134 W CA -0.676 56.571 57.345 -0.163 0.000 1.209 134 W CB 1.915 31.273 29.460 -0.169 0.000 1.273 134 W HN 0.573 nan 8.180 nan 0.000 0.482 135 V N 0.866 120.792 119.914 0.020 0.000 2.914 135 V HA 0.755 4.889 4.120 0.022 0.000 0.314 135 V C 0.184 175.933 176.094 -0.576 0.000 1.084 135 V CA -1.251 60.961 62.300 -0.148 0.000 0.963 135 V CB 1.152 32.945 31.823 -0.050 0.000 1.025 135 V HN 0.533 nan 8.190 nan 0.000 0.432 136 S N 2.189 117.380 115.700 -0.848 0.000 2.593 136 S HA 0.478 4.961 4.470 0.022 0.000 0.269 136 S C -0.215 174.151 174.600 -0.390 0.000 1.334 136 S CA -0.129 57.443 58.200 -1.046 0.000 1.015 136 S CB 0.627 63.355 63.200 -0.787 0.000 0.912 136 S HN 1.297 nan 8.310 nan 0.000 0.541 137 N N 1.653 120.207 118.700 -0.243 0.000 2.480 137 N HA 0.477 5.230 4.740 0.022 0.000 0.289 137 N C -2.905 172.630 175.510 0.042 0.000 1.073 137 N CA -1.676 51.333 53.050 -0.068 0.000 0.885 137 N CB 1.744 40.212 38.487 -0.033 0.000 1.421 137 N HN 0.493 nan 8.380 nan 0.000 0.503 138 P HA 0.314 nan 4.420 nan 0.000 0.270 138 P C -0.170 177.080 177.300 -0.083 0.000 1.223 138 P CA -0.005 63.080 63.100 -0.025 0.000 0.785 138 P CB 1.242 32.890 31.700 -0.087 0.000 0.923 139 G N -0.367 108.374 108.800 -0.097 0.000 2.846 139 G HA2 0.375 4.348 3.960 0.022 0.000 0.299 139 G HA3 0.375 4.348 3.960 0.022 0.000 0.299 139 G C -2.323 172.590 174.900 0.021 0.000 1.242 139 G CA -0.627 44.436 45.100 -0.062 0.000 0.800 139 G HN 0.504 nan 8.290 nan 0.000 0.538 140 W N 2.914 124.158 121.300 -0.094 0.000 2.294 140 W HA 0.552 5.224 4.660 0.021 0.000 0.314 140 W C -1.355 175.059 176.519 -0.175 0.000 1.044 140 W CA -2.660 54.562 57.345 -0.205 0.000 1.284 140 W CB 1.685 30.927 29.460 -0.364 0.000 1.231 140 W HN 0.353 nan 8.180 nan 0.000 0.419 141 P HA -0.248 nan 4.420 nan 0.000 0.217 141 P C 1.285 178.301 177.300 -0.474 0.000 1.151 141 P CA 2.254 65.149 63.100 -0.342 0.000 0.849 141 P CB 0.005 31.523 31.700 -0.302 0.000 0.787 142 T N -1.236 112.731 114.554 -0.979 0.000 2.881 142 T HA -0.163 4.200 4.350 0.022 0.000 0.270 142 T C 1.592 176.027 174.700 -0.442 0.000 1.068 142 T CA 1.313 62.859 62.100 -0.923 0.000 1.131 142 T CB -0.870 66.962 68.868 -1.727 0.000 0.871 142 T HN 0.428 nan 8.240 nan 0.000 0.479 143 H N 0.577 119.527 119.070 -0.200 0.000 2.293 143 H HA -0.020 4.549 4.556 0.022 0.000 0.300 143 H C 2.582 177.984 175.328 0.122 0.000 1.082 143 H CA 1.372 57.485 56.048 0.108 0.000 1.308 143 H CB 0.062 30.008 29.762 0.306 0.000 1.375 143 H HN 0.211 nan 8.280 nan 0.000 0.495 144 K N 0.584 121.091 120.400 0.178 0.000 2.032 144 K HA -0.150 4.183 4.320 0.022 0.000 0.209 144 K C 2.373 178.993 176.600 0.034 0.000 1.048 144 K CA 1.631 57.982 56.287 0.107 0.000 0.927 144 K CB 0.047 32.557 32.500 0.015 0.000 0.712 144 K HN 0.110 nan 8.250 nan 0.000 0.441 145 S N 0.323 115.986 115.700 -0.062 0.000 2.359 145 S HA -0.135 4.348 4.470 0.022 0.000 0.224 145 S C 1.968 176.503 174.600 -0.109 0.000 1.035 145 S CA 1.448 59.589 58.200 -0.099 0.000 1.018 145 S CB -0.226 62.878 63.200 -0.160 0.000 0.876 145 S HN 0.131 nan 8.310 nan 0.000 0.448 146 V N 1.069 120.877 119.914 -0.177 0.000 2.270 146 V HA -0.125 4.008 4.120 0.022 0.000 0.245 146 V C 1.984 177.916 176.094 -0.270 0.000 1.043 146 V CA 1.673 63.811 62.300 -0.269 0.000 1.014 146 V CB -0.847 30.726 31.823 -0.417 0.000 0.645 146 V HN 0.379 nan 8.190 nan 0.000 0.447 147 F N 0.839 120.797 119.950 0.014 0.000 2.134 147 F HA -0.127 4.413 4.527 0.022 0.000 0.299 147 F C 2.255 178.044 175.800 -0.018 0.000 1.097 147 F CA 1.649 59.650 58.000 0.002 0.000 1.264 147 F CB -1.116 37.877 39.000 -0.011 0.000 1.001 147 F HN 0.195 nan 8.300 nan 0.000 0.479 148 N N -0.230 118.539 118.700 0.115 0.000 2.149 148 N HA -0.195 4.558 4.740 0.022 0.000 0.188 148 N C 2.006 177.526 175.510 0.017 0.000 1.019 148 N CA 1.369 54.446 53.050 0.044 0.000 0.857 148 N CB -0.199 38.293 38.487 0.008 0.000 0.997 148 N HN 0.286 nan 8.380 nan 0.000 0.426 149 S N 0.402 116.098 115.700 -0.006 0.000 2.423 149 S HA -0.007 4.476 4.470 0.022 0.000 0.231 149 S C 1.817 176.416 174.600 -0.000 0.000 1.014 149 S CA 0.821 59.011 58.200 -0.017 0.000 0.965 149 S CB -0.067 63.109 63.200 -0.040 0.000 0.785 149 S HN 0.311 nan 8.310 nan 0.000 0.495 150 A N 0.528 123.360 122.820 0.020 0.000 2.251 150 A HA 0.573 4.906 4.320 0.022 0.000 0.209 150 A C 1.693 179.302 177.584 0.042 0.000 1.187 150 A CA 0.500 52.560 52.037 0.039 0.000 0.823 150 A CB -1.034 18.012 19.000 0.076 0.000 0.846 150 A HN 1.560 nan 8.150 nan 0.000 0.486 151 G N -1.448 107.372 108.800 0.034 0.000 2.141 151 G HA2 -0.189 3.785 3.960 0.022 0.000 0.231 151 G HA3 -0.189 3.785 3.960 0.022 0.000 0.231 151 G C 0.092 175.005 174.900 0.023 0.000 0.984 151 G CA 0.358 45.470 45.100 0.021 0.000 0.660 151 G HN 0.407 nan 8.290 nan 0.000 0.525 155 V N 2.220 122.024 119.914 -0.183 0.000 2.417 155 V HA 0.594 4.727 4.120 0.022 0.000 0.291 155 V C -0.222 175.650 176.094 -0.369 0.000 1.024 155 V CA -0.780 61.367 62.300 -0.254 0.000 0.861 155 V CB 1.296 33.050 31.823 -0.115 0.000 0.985 155 V HN 0.565 nan 8.190 nan 0.000 0.436 156 R N 2.958 123.076 120.500 -0.637 0.000 2.732 156 R HA 0.680 5.033 4.340 0.022 0.000 0.278 156 R C -0.611 175.412 176.300 -0.461 0.000 0.976 156 R CA -0.733 54.876 56.100 -0.818 0.000 0.963 156 R CB 2.078 31.207 30.300 -1.952 0.000 1.150 156 R HN 0.732 nan 8.270 nan 0.000 0.478 157 E N 1.220 121.317 120.200 -0.170 0.000 2.207 157 E HA 0.362 4.726 4.350 0.022 0.000 0.270 157 E C -1.080 175.709 176.600 0.314 0.000 0.927 157 E CA -0.835 55.581 56.400 0.028 0.000 0.799 157 E CB 1.909 31.585 29.700 -0.039 0.000 1.172 157 E HN 0.463 nan 8.360 nan 0.000 0.404 158 Y N -0.566 119.869 120.300 0.225 0.000 2.409 158 Y HA 0.732 5.295 4.550 0.022 0.000 0.343 158 Y C -0.244 175.731 175.900 0.124 0.000 0.973 158 Y CA -1.574 56.626 58.100 0.166 0.000 1.064 158 Y CB 0.687 39.182 38.460 0.059 0.000 1.207 158 Y HN 0.559 nan 8.280 nan 0.000 0.452 159 A N 2.684 125.667 122.820 0.272 0.000 2.492 159 A HA 0.252 4.585 4.320 0.022 0.000 0.236 159 A C -0.470 177.316 177.584 0.336 0.000 1.078 159 A CA 0.838 53.002 52.037 0.211 0.000 0.773 159 A CB -0.132 18.951 19.000 0.137 0.000 1.023 159 A HN 1.162 nan 8.150 nan 0.000 0.504 160 Y N -0.879 119.482 120.300 0.101 0.000 2.510 160 Y HA 0.205 4.768 4.550 0.022 0.000 0.285 160 Y C -0.495 175.474 175.900 0.116 0.000 1.089 160 Y CA -0.049 58.107 58.100 0.093 0.000 1.007 160 Y CB 0.165 38.624 38.460 -0.000 0.000 1.372 160 Y HN 0.664 nan 8.280 nan 0.000 0.563 161 Y N 2.706 123.055 120.300 0.082 0.000 2.360 161 Y HA 0.416 4.980 4.550 0.022 0.000 0.337 161 Y C -0.575 175.321 175.900 -0.007 0.000 1.039 161 Y CA -1.452 56.666 58.100 0.029 0.000 1.109 161 Y CB 0.910 39.469 38.460 0.165 0.000 1.201 161 Y HN 0.057 nan 8.280 nan 0.000 0.458 162 D N 4.908 124.975 120.400 -0.555 0.000 2.468 162 D HA 0.231 4.885 4.640 0.022 0.000 0.218 162 D C 0.717 176.511 176.300 -0.842 0.000 1.155 162 D CA 0.304 54.002 54.000 -0.503 0.000 0.924 162 D CB 1.134 41.708 40.800 -0.378 0.000 1.029 162 D HN 0.840 nan 8.370 nan 0.000 0.515 163 A N 3.932 126.426 122.820 -0.543 0.000 2.032 163 A HA -0.227 4.107 4.320 0.022 0.000 0.221 163 A C 1.827 179.012 177.584 -0.664 0.000 1.165 163 A CA 1.795 53.567 52.037 -0.442 0.000 0.645 163 A CB -0.225 18.716 19.000 -0.098 0.000 0.807 163 A HN 0.731 nan 8.150 nan 0.000 0.453 164 E N -1.326 118.533 120.200 -0.569 0.000 2.166 164 E HA -0.027 4.336 4.350 0.022 0.000 0.192 164 E C 1.253 177.472 176.600 -0.635 0.000 0.967 164 E CA 0.831 56.901 56.400 -0.551 0.000 0.840 164 E CB -0.304 29.221 29.700 -0.292 0.000 0.795 164 E HN 0.447 nan 8.360 nan 0.000 0.470 165 N N 0.110 118.504 118.700 -0.509 0.000 2.422 165 N HA -0.009 4.745 4.740 0.022 0.000 0.181 165 N C -0.615 174.723 175.510 -0.285 0.000 1.080 165 N CA 0.538 53.397 53.050 -0.319 0.000 0.893 165 N CB 0.102 38.466 38.487 -0.204 0.000 0.973 165 N HN 0.185 nan 8.380 nan 0.000 0.456 166 H N -0.611 118.210 119.070 -0.415 0.000 2.819 166 H HA -0.129 4.441 4.556 0.022 0.000 0.323 166 H C -0.288 174.947 175.328 -0.155 0.000 1.243 166 H CA 1.236 57.056 56.048 -0.380 0.000 1.163 166 H CB -2.254 27.317 29.762 -0.319 0.000 1.493 166 H HN 0.405 nan 8.280 nan 0.000 0.434 167 T N -2.849 111.570 114.554 -0.225 0.000 2.812 167 T HA 0.575 4.938 4.350 0.022 0.000 0.294 167 T C 0.177 174.797 174.700 -0.133 0.000 1.159 167 T CA -1.155 60.905 62.100 -0.068 0.000 1.008 167 T CB 2.683 71.511 68.868 -0.065 0.000 1.289 167 T HN 0.205 nan 8.240 nan 0.000 0.514 168 L N 1.542 122.705 121.223 -0.100 0.000 2.410 168 L HA 0.318 4.671 4.340 0.022 0.000 0.273 168 L C -0.213 176.558 176.870 -0.166 0.000 1.144 168 L CA -0.193 54.506 54.840 -0.236 0.000 0.863 168 L CB 0.452 42.342 42.059 -0.282 0.000 1.140 168 L HN 0.771 nan 8.230 nan 0.000 0.463 169 D N 4.539 124.830 120.400 -0.182 0.000 2.558 169 D HA -0.045 4.608 4.640 0.022 0.000 0.221 169 D C 0.933 177.209 176.300 -0.040 0.000 1.143 169 D CA -0.089 53.857 54.000 -0.091 0.000 1.010 169 D CB 0.147 40.897 40.800 -0.083 0.000 1.068 169 D HN 0.511 nan 8.370 nan 0.000 0.511 170 F N 1.972 121.835 119.950 -0.145 0.000 2.120 170 F HA -0.247 4.293 4.527 0.022 0.000 0.300 170 F C 1.769 177.536 175.800 -0.054 0.000 1.095 170 F CA 1.562 59.497 58.000 -0.107 0.000 1.249 170 F CB 0.272 39.214 39.000 -0.096 0.000 0.995 170 F HN 0.277 nan 8.300 nan 0.000 0.480 171 D N -0.014 120.412 120.400 0.043 0.000 2.097 171 D HA -0.186 4.467 4.640 0.022 0.000 0.195 171 D C 2.355 178.612 176.300 -0.072 0.000 0.989 171 D CA 1.595 55.584 54.000 -0.020 0.000 0.827 171 D CB -0.589 40.223 40.800 0.021 0.000 0.966 171 D HN 0.369 nan 8.370 nan 0.000 0.456 172 A N 1.111 123.903 122.820 -0.048 0.000 1.972 172 A HA -0.117 4.216 4.320 0.022 0.000 0.219 172 A C 2.281 179.845 177.584 -0.034 0.000 1.169 172 A CA 0.744 52.765 52.037 -0.027 0.000 0.635 172 A CB -0.707 18.292 19.000 -0.002 0.000 0.810 172 A HN 0.270 nan 8.150 nan 0.000 0.446 173 L N -0.351 120.821 121.223 -0.086 0.000 1.994 173 L HA -0.160 4.193 4.340 0.022 0.000 0.208 173 L C 2.232 178.987 176.870 -0.193 0.000 1.071 173 L CA 1.500 56.288 54.840 -0.087 0.000 0.745 173 L CB -0.255 41.697 42.059 -0.177 0.000 0.892 173 L HN 0.289 nan 8.230 nan 0.000 0.431 174 I N 0.572 120.958 120.570 -0.305 0.000 2.264 174 I HA -0.284 3.899 4.170 0.022 0.000 0.248 174 I C 2.241 178.288 176.117 -0.116 0.000 1.111 174 I CA 1.285 62.446 61.300 -0.231 0.000 1.382 174 I CB -1.629 36.213 38.000 -0.262 0.000 1.060 174 I HN 0.461 nan 8.210 nan 0.000 0.418 175 N N 0.694 119.340 118.700 -0.090 0.000 2.142 175 N HA -0.104 4.649 4.740 0.022 0.000 0.186 175 N C 2.011 177.492 175.510 -0.048 0.000 1.023 175 N CA 1.326 54.347 53.050 -0.047 0.000 0.852 175 N CB -0.149 38.323 38.487 -0.025 0.000 0.998 175 N HN 0.270 nan 8.380 nan 0.000 0.424 176 S N 1.228 116.900 115.700 -0.047 0.000 2.355 176 S HA 0.033 4.516 4.470 0.022 0.000 0.222 176 S C 1.830 176.295 174.600 -0.225 0.000 1.031 176 S CA 0.447 58.626 58.200 -0.035 0.000 0.993 176 S CB -0.089 63.163 63.200 0.087 0.000 0.859 176 S HN 0.179 nan 8.310 nan 0.000 0.453 177 L N 2.228 123.259 121.223 -0.319 0.000 2.456 177 L HA 0.046 4.399 4.340 0.022 0.000 0.224 177 L C 1.537 178.231 176.870 -0.293 0.000 1.148 177 L CA 1.142 55.635 54.840 -0.578 0.000 0.825 177 L CB -1.767 39.950 42.059 -0.570 0.000 0.937 177 L HN 0.247 nan 8.230 nan 0.000 0.450 178 N N -0.070 118.561 118.700 -0.116 0.000 2.453 178 N HA -0.180 4.573 4.740 0.022 0.000 0.183 178 N C 1.707 177.194 175.510 -0.038 0.000 1.041 178 N CA 0.511 53.559 53.050 -0.004 0.000 0.900 178 N CB 0.079 38.563 38.487 -0.004 0.000 0.961 178 N HN 0.392 nan 8.380 nan 0.000 0.443 179 E N -0.323 119.784 120.200 -0.154 0.000 2.478 179 E HA 0.154 4.517 4.350 0.022 0.000 0.194 179 E C -0.360 176.179 176.600 -0.103 0.000 1.045 179 E CA -0.235 56.124 56.400 -0.068 0.000 0.868 179 E CB 0.180 29.905 29.700 0.042 0.000 0.885 179 E HN 0.250 nan 8.360 nan 0.000 0.505 180 A N 1.490 124.047 122.820 -0.438 0.000 2.354 180 A HA 0.231 4.564 4.320 0.022 0.000 0.281 180 A C -0.296 177.370 177.584 0.135 0.000 1.174 180 A CA -0.400 51.379 52.037 -0.429 0.000 0.828 180 A CB 0.476 18.642 19.000 -1.389 0.000 1.099 180 A HN 0.229 nan 8.150 nan 0.000 0.516 181 Q N 1.235 121.170 119.800 0.224 0.000 2.212 181 Q HA 0.573 4.926 4.340 0.022 0.000 0.238 181 Q C 0.338 176.518 176.000 0.300 0.000 0.955 181 Q CA -0.597 55.350 55.803 0.241 0.000 0.906 181 Q CB 1.296 30.139 28.738 0.175 0.000 1.215 181 Q HN 0.894 nan 8.270 nan 0.000 0.478 182 A N 0.464 123.413 122.820 0.214 0.000 2.565 182 A HA 0.358 4.691 4.320 0.022 0.000 0.237 182 A C 1.146 178.844 177.584 0.190 0.000 1.053 182 A CA 0.949 53.099 52.037 0.188 0.000 0.755 182 A CB -0.829 18.224 19.000 0.089 0.000 0.980 182 A HN 1.000 nan 8.150 nan 0.000 0.506 183 G N 1.925 110.852 108.800 0.211 0.000 2.213 183 G HA2 -0.178 3.796 3.960 0.022 0.000 0.236 183 G HA3 -0.178 3.796 3.960 0.022 0.000 0.236 183 G C -0.055 174.949 174.900 0.174 0.000 0.991 183 G CA 0.311 45.511 45.100 0.166 0.000 0.629 183 G HN 0.829 nan 8.290 nan 0.000 0.517 184 D N 0.330 120.868 120.400 0.229 0.000 2.304 184 D HA 0.528 5.181 4.640 0.022 0.000 0.247 184 D C 0.579 176.974 176.300 0.159 0.000 1.089 184 D CA -0.119 54.003 54.000 0.203 0.000 0.910 184 D CB 1.802 42.766 40.800 0.273 0.000 1.199 184 D HN 0.152 nan 8.370 nan 0.000 0.426 185 V N 2.055 122.022 119.914 0.088 0.000 2.509 185 V HA 0.325 4.458 4.120 0.022 0.000 0.284 185 V C 0.104 176.163 176.094 -0.060 0.000 1.047 185 V CA -0.586 61.722 62.300 0.013 0.000 0.952 185 V CB 1.762 33.538 31.823 -0.077 0.000 0.988 185 V HN 0.226 nan 8.190 nan 0.000 0.469 186 V N 6.121 125.941 119.914 -0.157 0.000 2.444 186 V HA 0.416 4.549 4.120 0.022 0.000 0.294 186 V C -0.302 175.479 176.094 -0.522 0.000 1.022 186 V CA -0.478 61.582 62.300 -0.401 0.000 0.850 186 V CB 1.707 33.128 31.823 -0.670 0.000 0.992 186 V HN 0.699 nan 8.190 nan 0.000 0.426 187 L N 5.699 126.644 121.223 -0.464 0.000 2.264 187 L HA 0.623 4.977 4.340 0.022 0.000 0.289 187 L C -1.278 175.323 176.870 -0.448 0.000 1.044 187 L CA -0.098 54.495 54.840 -0.411 0.000 0.807 187 L CB 0.608 42.470 42.059 -0.329 0.000 1.192 187 L HN 0.477 nan 8.230 nan 0.000 0.425 188 F N 2.705 122.508 119.950 -0.244 0.000 2.508 188 F HA 0.423 4.962 4.527 0.021 0.000 0.325 188 F C 0.353 176.164 175.800 0.019 0.000 1.090 188 F CA -0.635 57.275 58.000 -0.150 0.000 0.945 188 F CB 1.213 39.857 39.000 -0.594 0.000 1.156 188 F HN 0.370 nan 8.300 nan 0.000 0.463 189 H N 1.419 120.691 119.070 0.336 0.000 2.620 189 H HA 0.148 4.717 4.556 0.022 0.000 0.313 189 H C 1.004 176.648 175.328 0.527 0.000 1.075 189 H CA 0.141 56.407 56.048 0.363 0.000 1.397 189 H CB 1.586 31.542 29.762 0.323 0.000 1.446 189 H HN 0.956 nan 8.280 nan 0.000 0.493 190 G N 2.857 112.025 108.800 0.613 0.000 2.440 190 G HA2 -0.164 3.809 3.960 0.022 0.000 0.218 190 G HA3 -0.164 3.809 3.960 0.022 0.000 0.218 190 G C 0.530 175.830 174.900 0.666 0.000 1.154 190 G CA 1.158 46.548 45.100 0.485 0.000 0.767 190 G HN 0.779 nan 8.290 nan 0.000 0.552 191 C N -5.259 114.488 119.300 0.746 0.000 3.275 191 C HA 0.502 4.975 4.460 0.022 0.000 0.340 191 C C 0.377 175.666 174.990 0.498 0.000 1.366 191 C CA -0.969 58.420 59.018 0.618 0.000 1.227 191 C CB 0.622 28.704 27.740 0.569 0.000 1.512 191 C HN 0.890 nan 8.230 nan 0.000 0.461 192 C N 2.380 121.898 119.300 0.363 0.000 3.896 192 C HA -0.130 4.343 4.460 0.022 0.000 0.300 192 C C 0.630 175.747 174.990 0.212 0.000 1.322 192 C CA 1.198 60.328 59.018 0.188 0.000 2.130 192 C CB -3.300 24.412 27.740 -0.046 0.000 1.363 192 C HN 1.266 nan 8.230 nan 0.000 0.642 193 H N 1.807 120.998 119.070 0.202 0.000 3.167 193 H HA 0.006 4.575 4.556 0.022 0.000 0.306 193 H C 0.549 175.877 175.328 0.001 0.000 0.965 193 H CA 1.521 57.613 56.048 0.074 0.000 1.408 193 H CB 0.397 30.131 29.762 -0.046 0.000 1.406 193 H HN 0.809 nan 8.280 nan 0.000 0.576 194 N N 6.508 124.962 118.700 -0.410 0.000 2.425 194 N HA 0.137 4.890 4.740 0.022 0.000 0.268 194 N C -1.921 173.222 175.510 -0.612 0.000 0.991 194 N CA -1.839 51.024 53.050 -0.312 0.000 0.931 194 N CB 1.323 39.746 38.487 -0.107 0.000 1.130 194 N HN 0.466 nan 8.380 nan 0.000 0.493 195 P HA 0.039 nan 4.420 nan 0.000 0.264 195 P C 1.101 178.114 177.300 -0.479 0.000 1.259 195 P CA 0.363 63.106 63.100 -0.595 0.000 0.841 195 P CB 0.324 31.539 31.700 -0.809 0.000 1.232 196 T N -3.068 111.253 114.554 -0.388 0.000 2.833 196 T HA 0.001 4.364 4.350 0.022 0.000 0.269 196 T C 1.765 176.548 174.700 0.139 0.000 1.054 196 T CA 1.667 63.645 62.100 -0.202 0.000 1.135 196 T CB -1.557 67.181 68.868 -0.217 0.000 0.869 196 T HN 0.209 nan 8.240 nan 0.000 0.466 197 G N 1.111 110.038 108.800 0.212 0.000 2.168 197 G HA2 -0.182 3.791 3.960 0.022 0.000 0.263 197 G HA3 -0.182 3.791 3.960 0.022 0.000 0.263 197 G C 0.004 175.066 174.900 0.271 0.000 0.977 197 G CA 0.191 45.431 45.100 0.235 0.000 0.659 197 G HN 0.618 nan 8.290 nan 0.000 0.533 198 I N 1.612 122.363 120.570 0.302 0.000 2.339 198 I HA 0.442 4.625 4.170 0.022 0.000 0.290 198 I C -0.502 175.779 176.117 0.273 0.000 0.994 198 I CA -0.970 60.493 61.300 0.272 0.000 1.191 198 I CB 1.241 39.410 38.000 0.282 0.000 1.343 198 I HN -0.037 nan 8.210 nan 0.000 0.458 199 D N 7.584 128.123 120.400 0.233 0.000 2.299 199 D HA 0.502 5.156 4.640 0.022 0.000 0.243 199 D C -2.363 173.968 176.300 0.053 0.000 0.982 199 D CA -1.306 52.836 54.000 0.236 0.000 0.924 199 D CB 1.699 42.714 40.800 0.358 0.000 1.238 199 D HN 0.167 nan 8.370 nan 0.000 0.484 200 P HA 0.101 nan 4.420 nan 0.000 0.272 200 P C 0.081 177.270 177.300 -0.185 0.000 1.223 200 P CA -0.170 62.691 63.100 -0.398 0.000 0.784 200 P CB 0.397 31.460 31.700 -1.061 0.000 0.923 201 T N -0.449 114.036 114.554 -0.114 0.000 2.788 201 T HA 0.102 4.466 4.350 0.022 0.000 0.280 201 T C 1.081 175.873 174.700 0.154 0.000 0.984 201 T CA -0.591 61.532 62.100 0.038 0.000 0.972 201 T CB 0.221 69.076 68.868 -0.022 0.000 1.039 201 T HN 0.161 nan 8.240 nan 0.000 0.530 202 L N 0.502 121.864 121.223 0.232 0.000 2.079 202 L HA 0.016 4.369 4.340 0.022 0.000 0.210 202 L C 2.392 179.388 176.870 0.210 0.000 1.081 202 L CA 1.855 56.875 54.840 0.301 0.000 0.752 202 L CB -1.179 40.994 42.059 0.190 0.000 0.896 202 L HN 0.777 nan 8.230 nan 0.000 0.433 203 E N -0.612 119.637 120.200 0.082 0.000 2.106 203 E HA -0.200 4.163 4.350 0.022 0.000 0.192 203 E C 2.217 178.801 176.600 -0.026 0.000 0.984 203 E CA 1.296 57.706 56.400 0.017 0.000 0.806 203 E CB -0.198 29.475 29.700 -0.045 0.000 0.750 203 E HN 0.628 nan 8.360 nan 0.000 0.458 204 Q N -1.132 118.593 119.800 -0.124 0.000 2.123 204 Q HA -0.110 4.243 4.340 0.022 0.000 0.199 204 Q C 1.857 177.924 176.000 0.112 0.000 0.966 204 Q CA 1.043 56.690 55.803 -0.261 0.000 0.845 204 Q CB -0.235 28.181 28.738 -0.536 0.000 0.907 204 Q HN 0.406 nan 8.270 nan 0.000 0.439 205 W N 1.500 122.883 121.300 0.139 0.000 2.355 205 W HA -0.204 4.469 4.660 0.022 0.000 0.309 205 W C 2.363 178.997 176.519 0.191 0.000 1.206 205 W CA 0.857 58.342 57.345 0.234 0.000 1.284 205 W CB 0.060 29.653 29.460 0.222 0.000 1.145 205 W HN 0.218 nan 8.180 nan 0.000 0.502 206 Q N -0.817 119.190 119.800 0.345 0.000 2.124 206 Q HA -0.179 4.174 4.340 0.022 0.000 0.202 206 Q C 2.012 178.074 176.000 0.105 0.000 0.977 206 Q CA 2.140 58.042 55.803 0.165 0.000 0.850 206 Q CB -0.505 28.296 28.738 0.106 0.000 0.901 206 Q HN 0.199 nan 8.270 nan 0.000 0.429 207 T N 0.987 115.629 114.554 0.146 0.000 2.777 207 T HA -0.056 4.307 4.350 0.022 0.000 0.266 207 T C 1.790 176.597 174.700 0.177 0.000 1.040 207 T CA 0.741 62.933 62.100 0.153 0.000 1.141 207 T CB -0.095 68.910 68.868 0.228 0.000 0.868 207 T HN 0.172 nan 8.240 nan 0.000 0.444 208 L N 0.748 122.138 121.223 0.280 0.000 2.093 208 L HA -0.043 4.311 4.340 0.022 0.000 0.208 208 L C 3.026 179.940 176.870 0.072 0.000 1.085 208 L CA 1.042 56.063 54.840 0.302 0.000 0.755 208 L CB -0.646 41.670 42.059 0.428 0.000 0.904 208 L HN 0.234 nan 8.230 nan 0.000 0.435 209 A N -0.453 122.209 122.820 -0.263 0.000 1.877 209 A HA -0.243 4.090 4.320 0.022 0.000 0.216 209 A C 2.247 179.626 177.584 -0.343 0.000 1.186 209 A CA 1.530 53.067 52.037 -0.833 0.000 0.620 209 A CB -0.433 18.175 19.000 -0.653 0.000 0.822 209 A HN 0.457 nan 8.150 nan 0.000 0.443 210 Q N -1.271 118.415 119.800 -0.189 0.000 2.079 210 Q HA -0.135 4.218 4.340 0.022 0.000 0.200 210 Q C 2.123 178.017 176.000 -0.177 0.000 0.974 210 Q CA 1.372 57.077 55.803 -0.164 0.000 0.840 210 Q CB -0.318 28.363 28.738 -0.096 0.000 0.898 210 Q HN 0.565 nan 8.270 nan 0.000 0.430 211 L N 0.535 121.677 121.223 -0.135 0.000 2.046 211 L HA -0.172 4.181 4.340 0.022 0.000 0.208 211 L C 2.403 178.986 176.870 -0.479 0.000 1.077 211 L CA 1.873 56.577 54.840 -0.227 0.000 0.747 211 L CB -0.816 41.183 42.059 -0.099 0.000 0.896 211 L HN 0.067 nan 8.230 nan 0.000 0.432 212 S N -1.406 114.131 115.700 -0.272 0.000 2.359 212 S HA -0.178 4.305 4.470 0.022 0.000 0.224 212 S C 2.015 176.492 174.600 -0.204 0.000 1.035 212 S CA 1.642 59.739 58.200 -0.171 0.000 1.018 212 S CB -0.462 63.071 63.200 0.555 0.000 0.876 212 S HN 0.306 nan 8.310 nan 0.000 0.448 213 V N 1.822 121.602 119.914 -0.223 0.000 2.287 213 V HA -0.183 3.950 4.120 0.022 0.000 0.248 213 V C 2.502 178.441 176.094 -0.258 0.000 1.053 213 V CA 2.307 64.419 62.300 -0.314 0.000 1.027 213 V CB -0.777 30.799 31.823 -0.410 0.000 0.646 213 V HN 0.561 nan 8.190 nan 0.000 0.447 214 E N -0.473 119.554 120.200 -0.288 0.000 2.150 214 E HA -0.173 4.190 4.350 0.022 0.000 0.193 214 E C 2.101 178.518 176.600 -0.306 0.000 0.985 214 E CA 0.763 57.010 56.400 -0.255 0.000 0.814 214 E CB -0.042 29.522 29.700 -0.227 0.000 0.752 214 E HN 0.424 nan 8.360 nan 0.000 0.466 215 K N -0.619 119.462 120.400 -0.532 0.000 2.400 215 K HA 0.047 4.380 4.320 0.022 0.000 0.194 215 K C 1.027 177.380 176.600 -0.412 0.000 1.033 215 K CA 0.743 56.664 56.287 -0.609 0.000 1.021 215 K CB 0.752 32.477 32.500 -1.291 0.000 0.808 215 K HN 0.249 nan 8.250 nan 0.000 0.505 216 G N 1.779 110.401 108.800 -0.298 0.000 2.182 216 G HA2 -0.171 3.802 3.960 0.022 0.000 0.248 216 G HA3 -0.171 3.802 3.960 0.022 0.000 0.248 216 G C -0.381 174.612 174.900 0.155 0.000 1.042 216 G CA -0.175 44.901 45.100 -0.039 0.000 0.775 216 G HN 0.066 nan 8.290 nan 0.000 0.501 217 W N -1.184 120.203 121.300 0.144 0.000 2.215 217 W HA 0.685 5.358 4.660 0.022 0.000 0.342 217 W C 0.286 176.921 176.519 0.194 0.000 1.237 217 W CA -1.560 55.871 57.345 0.143 0.000 1.283 217 W CB 0.598 30.137 29.460 0.133 0.000 1.131 217 W HN 0.210 nan 8.180 nan 0.000 0.606 218 L N 4.944 126.401 121.223 0.389 0.000 2.283 218 L HA 0.459 4.812 4.340 0.022 0.000 0.281 218 L C -2.415 174.602 176.870 0.244 0.000 1.033 218 L CA -2.210 52.799 54.840 0.283 0.000 0.848 218 L CB 0.555 42.743 42.059 0.215 0.000 1.226 218 L HN -0.032 nan 8.230 nan 0.000 0.429 219 P HA 0.246 nan 4.420 nan 0.000 0.276 219 P C -1.231 176.201 177.300 0.221 0.000 1.230 219 P CA -0.059 63.202 63.100 0.267 0.000 0.776 219 P CB 0.879 32.822 31.700 0.406 0.000 0.888 220 L N 4.212 125.493 121.223 0.097 0.000 2.372 220 L HA 0.533 4.886 4.340 0.022 0.000 0.274 220 L C -1.349 175.559 176.870 0.062 0.000 0.988 220 L CA -0.738 54.178 54.840 0.127 0.000 0.833 220 L CB 0.548 42.636 42.059 0.049 0.000 1.236 220 L HN 0.165 nan 8.230 nan 0.000 0.410 221 F N 2.950 122.924 119.950 0.040 0.000 2.420 221 F HA 0.339 4.879 4.527 0.022 0.000 0.342 221 F C 0.301 176.128 175.800 0.045 0.000 1.113 221 F CA -0.409 57.602 58.000 0.017 0.000 1.059 221 F CB 1.335 40.252 39.000 -0.137 0.000 1.128 221 F HN 0.377 nan 8.300 nan 0.000 0.475 222 D N 3.698 124.210 120.400 0.187 0.000 2.373 222 D HA 0.156 4.809 4.640 0.022 0.000 0.227 222 D C -1.447 175.012 176.300 0.266 0.000 1.091 222 D CA -0.177 53.914 54.000 0.151 0.000 0.840 222 D CB 0.463 41.289 40.800 0.043 0.000 1.060 222 D HN 0.197 nan 8.370 nan 0.000 0.502 223 F N 3.503 123.469 119.950 0.027 0.000 2.451 223 F HA 0.490 5.032 4.527 0.024 0.000 0.367 223 F C 0.400 176.139 175.800 -0.101 0.000 1.100 223 F CA -1.267 56.742 58.000 0.015 0.000 1.171 223 F CB 0.936 39.928 39.000 -0.013 0.000 1.405 223 F HN 0.469 nan 8.300 nan 0.000 0.482 224 A N 3.231 125.989 122.820 -0.104 0.000 2.343 224 A HA 0.182 4.516 4.320 0.022 0.000 0.223 224 A C -0.120 177.078 177.584 -0.643 0.000 1.214 224 A CA 0.309 52.078 52.037 -0.447 0.000 0.900 224 A CB -0.235 18.382 19.000 -0.638 0.000 0.942 224 A HN 0.526 nan 8.150 nan 0.000 0.507 225 Y N 0.008 120.235 120.300 -0.120 0.000 2.698 225 Y HA 0.295 4.859 4.550 0.023 0.000 0.261 225 Y C 0.586 176.487 175.900 0.000 0.000 1.104 225 Y CA -0.786 57.327 58.100 0.022 0.000 1.145 225 Y CB -0.030 38.458 38.460 0.047 0.000 1.191 225 Y HN 0.385 nan 8.280 nan 0.000 0.564 226 Q N 0.920 120.524 119.800 -0.327 0.000 2.247 226 Q HA 0.308 4.661 4.340 0.022 0.000 0.288 226 Q C 1.195 177.148 176.000 -0.078 0.000 1.079 226 Q CA 1.616 57.161 55.803 -0.429 0.000 0.932 226 Q CB 0.197 28.458 28.738 -0.796 0.000 1.133 226 Q HN 0.797 nan 8.270 nan 0.000 0.377 227 G N 3.338 112.116 108.800 -0.038 0.000 2.238 227 G HA2 -0.271 3.702 3.960 0.022 0.000 0.217 227 G HA3 -0.271 3.702 3.960 0.022 0.000 0.217 227 G C 0.216 174.979 174.900 -0.229 0.000 0.996 227 G CA 0.078 45.083 45.100 -0.159 0.000 0.632 227 G HN 0.658 nan 8.290 nan 0.000 0.503 228 F N 1.584 121.543 119.950 0.016 0.000 2.789 228 F HA 0.557 5.096 4.527 0.020 0.000 0.300 228 F C 2.464 178.285 175.800 0.034 0.000 1.132 228 F CA 1.243 59.258 58.000 0.026 0.000 1.404 228 F CB 0.314 39.360 39.000 0.077 0.000 1.114 228 F HN 0.387 nan 8.300 nan 0.000 0.584 229 A N 0.395 123.333 122.820 0.197 0.000 1.896 229 A HA 0.168 4.501 4.320 0.022 0.000 0.213 229 A C 2.011 179.662 177.584 0.111 0.000 1.306 229 A CA 0.752 52.892 52.037 0.172 0.000 0.626 229 A CB -0.055 19.074 19.000 0.215 0.000 0.994 229 A HN 0.240 nan 8.150 nan 0.000 0.475 230 R N -2.355 118.198 120.500 0.089 0.000 2.437 230 R HA 0.428 4.781 4.340 0.022 0.000 0.184 230 R C 0.677 176.977 176.300 0.001 0.000 0.850 230 R CA 0.655 56.786 56.100 0.051 0.000 1.073 230 R CB 0.912 31.256 30.300 0.074 0.000 1.336 230 R HN 0.621 nan 8.270 nan 0.000 0.640 234 E N 1.356 121.576 120.200 0.034 0.000 2.046 234 E HA -0.152 4.211 4.350 0.022 0.000 0.190 234 E C 1.622 178.259 176.600 0.061 0.000 0.982 234 E CA 1.499 57.927 56.400 0.048 0.000 0.800 234 E CB 0.124 29.842 29.700 0.030 0.000 0.756 234 E HN 0.440 nan 8.360 nan 0.000 0.449 235 E N 1.199 121.434 120.200 0.059 0.000 2.085 235 E HA -0.164 4.199 4.350 0.022 0.000 0.194 235 E C 1.612 178.283 176.600 0.119 0.000 0.994 235 E CA 1.283 57.730 56.400 0.078 0.000 0.801 235 E CB -0.147 29.596 29.700 0.071 0.000 0.743 235 E HN 0.161 nan 8.360 nan 0.000 0.453 236 D N -0.355 120.136 120.400 0.151 0.000 2.310 236 D HA -0.057 4.597 4.640 0.022 0.000 0.212 236 D C 1.066 177.563 176.300 0.328 0.000 0.965 236 D CA 1.090 55.241 54.000 0.252 0.000 0.879 236 D CB -0.027 40.919 40.800 0.243 0.000 0.921 236 D HN 0.222 nan 8.370 nan 0.000 0.510 237 A N 0.615 123.566 122.820 0.219 0.000 2.387 237 A HA 0.056 4.389 4.320 0.022 0.000 0.234 237 A C 1.747 179.260 177.584 -0.118 0.000 1.253 237 A CA -0.057 52.026 52.037 0.078 0.000 0.894 237 A CB -0.279 18.795 19.000 0.123 0.000 0.963 237 A HN 0.274 nan 8.150 nan 0.000 0.508 238 E N -0.416 119.742 120.200 -0.069 0.000 2.150 238 E HA -0.063 4.300 4.350 0.022 0.000 0.193 238 E C 1.734 178.182 176.600 -0.253 0.000 0.985 238 E CA 1.060 57.404 56.400 -0.093 0.000 0.814 238 E CB -0.499 29.206 29.700 0.008 0.000 0.752 238 E HN 0.314 nan 8.360 nan 0.000 0.466 239 G N 2.021 110.472 108.800 -0.580 0.000 2.414 239 G HA2 -0.247 3.726 3.960 0.022 0.000 0.215 239 G HA3 -0.247 3.726 3.960 0.022 0.000 0.215 239 G C 1.551 175.933 174.900 -0.864 0.000 1.188 239 G CA 0.872 45.188 45.100 -1.305 0.000 0.783 239 G HN 0.269 nan 8.290 nan 0.000 0.537 240 L N 0.784 121.426 121.223 -0.968 0.000 2.013 240 L HA -0.050 4.303 4.340 0.022 0.000 0.212 240 L C 2.808 179.405 176.870 -0.454 0.000 1.073 240 L CA 1.943 56.118 54.840 -1.109 0.000 0.753 240 L CB -0.558 40.788 42.059 -1.188 0.000 0.890 240 L HN 0.154 nan 8.230 nan 0.000 0.432 241 R N -0.494 119.850 120.500 -0.261 0.000 2.120 241 R HA -0.075 4.278 4.340 0.022 0.000 0.234 241 R C 2.255 178.551 176.300 -0.008 0.000 1.123 241 R CA 1.102 57.169 56.100 -0.055 0.000 0.975 241 R CB -0.602 29.683 30.300 -0.024 0.000 0.866 241 R HN 0.579 nan 8.270 nan 0.000 0.446 242 A N 0.497 123.314 122.820 -0.005 0.000 1.930 242 A HA -0.134 4.199 4.320 0.022 0.000 0.217 242 A C 1.793 179.450 177.584 0.121 0.000 1.175 242 A CA 1.073 53.151 52.037 0.069 0.000 0.627 242 A CB -0.448 18.628 19.000 0.125 0.000 0.815 242 A HN 0.174 nan 8.150 nan 0.000 0.443 243 F N 0.145 120.086 119.950 -0.016 0.000 2.113 243 F HA -0.020 4.520 4.527 0.022 0.000 0.297 243 F C 2.775 178.660 175.800 0.142 0.000 1.103 243 F CA 0.946 59.029 58.000 0.138 0.000 1.248 243 F CB -0.584 38.462 39.000 0.077 0.000 0.999 243 F HN 0.241 nan 8.300 nan 0.000 0.475 244 A N -0.299 122.628 122.820 0.178 0.000 2.076 244 A HA -0.057 4.276 4.320 0.022 0.000 0.220 244 A C 2.305 179.896 177.584 0.012 0.000 1.160 244 A CA 1.584 53.654 52.037 0.056 0.000 0.653 244 A CB -1.162 17.812 19.000 -0.044 0.000 0.801 244 A HN 0.311 nan 8.150 nan 0.000 0.455 245 A N -1.045 121.790 122.820 0.024 0.000 2.016 245 A HA 0.142 4.476 4.320 0.022 0.000 0.217 245 A C 2.036 179.603 177.584 -0.027 0.000 1.162 245 A CA 1.436 53.465 52.037 -0.013 0.000 0.662 245 A CB -0.292 18.702 19.000 -0.011 0.000 0.812 245 A HN 0.519 nan 8.150 nan 0.000 0.450 246 M N -1.355 118.231 119.600 -0.023 0.000 2.367 246 M HA 0.188 4.682 4.480 0.022 0.000 0.256 246 M C -0.119 176.064 176.300 -0.195 0.000 1.091 246 M CA 0.096 55.322 55.300 -0.123 0.000 1.049 246 M CB 0.313 32.792 32.600 -0.203 0.000 1.406 246 M HN 0.243 nan 8.290 nan 0.000 0.498 247 H N 1.821 120.885 119.070 -0.009 0.000 2.467 247 H HA 0.188 4.758 4.556 0.022 0.000 0.331 247 H C 0.536 175.876 175.328 0.020 0.000 1.120 247 H CA -0.015 56.055 56.048 0.035 0.000 1.270 247 H CB 1.567 31.408 29.762 0.132 0.000 1.466 247 H HN 0.058 nan 8.280 nan 0.000 0.504 248 K N 2.052 122.529 120.400 0.127 0.000 2.211 248 K HA 0.057 4.390 4.320 0.022 0.000 0.201 248 K C -0.063 176.604 176.600 0.111 0.000 1.052 248 K CA 0.889 57.224 56.287 0.079 0.000 0.973 248 K CB 0.650 33.182 32.500 0.054 0.000 0.766 248 K HN 0.614 nan 8.250 nan 0.000 0.466 249 E N 0.605 120.916 120.200 0.184 0.000 2.314 249 E HA 0.567 4.930 4.350 0.022 0.000 0.272 249 E C -1.048 175.677 176.600 0.209 0.000 0.884 249 E CA -1.070 55.436 56.400 0.177 0.000 0.753 249 E CB 1.915 31.722 29.700 0.179 0.000 1.213 249 E HN 0.151 nan 8.360 nan 0.000 0.432 250 L N -1.276 120.056 121.223 0.182 0.000 2.940 250 L HA 0.656 5.009 4.340 0.022 0.000 0.270 250 L C -1.728 175.262 176.870 0.199 0.000 1.030 250 L CA -0.785 54.174 54.840 0.199 0.000 0.928 250 L CB 1.053 43.228 42.059 0.193 0.000 1.506 250 L HN 0.579 nan 8.230 nan 0.000 0.405 251 I N 0.744 121.448 120.570 0.225 0.000 2.582 251 I HA 0.744 4.927 4.170 0.022 0.000 0.292 251 I C -1.190 175.059 176.117 0.221 0.000 1.066 251 I CA -1.088 60.336 61.300 0.206 0.000 1.053 251 I CB 2.386 40.513 38.000 0.211 0.000 1.241 251 I HN 0.426 nan 8.210 nan 0.000 0.421 252 V N 4.434 124.452 119.914 0.175 0.000 2.525 252 V HA 0.619 4.752 4.120 0.022 0.000 0.299 252 V C -0.087 176.083 176.094 0.127 0.000 1.034 252 V CA -0.583 61.804 62.300 0.144 0.000 0.863 252 V CB 1.700 33.542 31.823 0.032 0.000 0.999 252 V HN 0.812 nan 8.190 nan 0.000 0.423 253 A N 3.905 126.814 122.820 0.149 0.000 2.256 253 A HA 0.822 5.155 4.320 0.022 0.000 0.317 253 A C 0.249 177.890 177.584 0.094 0.000 1.318 253 A CA -0.302 51.809 52.037 0.124 0.000 0.894 253 A CB 0.681 19.771 19.000 0.150 0.000 1.165 253 A HN 1.000 nan 8.150 nan 0.000 0.525 254 S N 1.452 117.168 115.700 0.027 0.000 2.648 254 S HA 0.869 5.352 4.470 0.022 0.000 0.305 254 S C -0.136 174.350 174.600 -0.191 0.000 1.094 254 S CA -0.473 57.684 58.200 -0.071 0.000 0.983 254 S CB 1.775 64.890 63.200 -0.141 0.000 1.101 254 S HN 1.237 nan 8.310 nan 0.000 0.514 255 S N -0.273 115.227 115.700 -0.333 0.000 2.549 255 S HA 0.618 5.101 4.470 0.022 0.000 0.280 255 S C -1.481 172.854 174.600 -0.443 0.000 1.109 255 S CA -0.586 57.427 58.200 -0.311 0.000 0.905 255 S CB 0.906 63.977 63.200 -0.215 0.000 1.081 255 S HN 0.694 nan 8.310 nan 0.000 0.477 256 Y N 1.922 122.189 120.300 -0.055 0.000 2.531 256 Y HA 0.308 4.874 4.550 0.026 0.000 0.249 256 Y C 2.212 178.084 175.900 -0.046 0.000 1.168 256 Y CA -0.149 57.936 58.100 -0.025 0.000 1.226 256 Y CB 0.155 38.504 38.460 -0.184 0.000 1.177 256 Y HN 0.600 nan 8.280 nan 0.000 0.527 257 S N 0.321 116.007 115.700 -0.025 0.000 2.359 257 S HA -0.212 4.271 4.470 0.022 0.000 0.224 257 S C 1.846 176.177 174.600 -0.450 0.000 1.035 257 S CA 1.847 59.934 58.200 -0.188 0.000 1.018 257 S CB -0.006 63.152 63.200 -0.071 0.000 0.876 257 S HN 0.335 nan 8.310 nan 0.000 0.448 258 K N 1.728 122.004 120.400 -0.207 0.000 2.099 258 K HA 0.082 4.415 4.320 0.022 0.000 0.203 258 K C 1.663 178.409 176.600 0.244 0.000 1.047 258 K CA 1.114 57.352 56.287 -0.081 0.000 0.963 258 K CB -0.329 32.077 32.500 -0.157 0.000 0.759 258 K HN 0.421 nan 8.250 nan 0.000 0.451 259 N N -0.243 118.691 118.700 0.391 0.000 2.520 259 N HA -0.103 4.650 4.740 0.022 0.000 0.185 259 N C 0.602 176.307 175.510 0.325 0.000 1.068 259 N CA 1.042 54.344 53.050 0.420 0.000 0.911 259 N CB -0.192 38.530 38.487 0.392 0.000 0.961 259 N HN 0.102 nan 8.380 nan 0.000 0.446 260 F N -0.864 119.190 119.950 0.173 0.000 2.706 260 F HA 0.431 4.968 4.527 0.017 0.000 0.313 260 F C 1.517 177.304 175.800 -0.021 0.000 1.096 260 F CA -0.150 57.910 58.000 0.100 0.000 1.219 260 F CB 0.444 39.396 39.000 -0.079 0.000 1.051 260 F HN 0.128 nan 8.300 nan 0.000 0.568 261 G N 1.574 110.361 108.800 -0.022 0.000 2.305 261 G HA2 -0.307 3.667 3.960 0.022 0.000 0.287 261 G HA3 -0.307 3.667 3.960 0.022 0.000 0.287 261 G C 0.455 175.251 174.900 -0.174 0.000 1.036 261 G CA 0.358 45.334 45.100 -0.208 0.000 0.887 261 G HN 0.417 nan 8.290 nan 0.000 0.505 262 L N -0.465 120.623 121.223 -0.226 0.000 2.984 262 L HA 0.284 4.637 4.340 0.022 0.000 0.246 262 L C 2.106 178.947 176.870 -0.048 0.000 1.268 262 L CA -0.870 53.933 54.840 -0.062 0.000 1.054 262 L CB -0.319 41.721 42.059 -0.032 0.000 1.393 262 L HN 0.302 nan 8.230 nan 0.000 0.532 263 Y N 0.870 121.226 120.300 0.093 0.000 2.003 263 Y HA -0.444 4.119 4.550 0.020 0.000 0.261 263 Y C 2.357 178.283 175.900 0.045 0.000 1.211 263 Y CA 2.424 60.564 58.100 0.066 0.000 1.098 263 Y CB -0.935 37.567 38.460 0.069 0.000 0.925 263 Y HN 0.543 nan 8.280 nan 0.000 0.498 264 N N -0.458 118.380 118.700 0.231 0.000 2.521 264 N HA -0.103 4.650 4.740 0.022 0.000 0.188 264 N C 0.817 176.370 175.510 0.072 0.000 1.146 264 N CA 0.636 53.761 53.050 0.124 0.000 0.893 264 N CB -0.059 38.491 38.487 0.105 0.000 0.975 264 N HN 0.396 nan 8.380 nan 0.000 0.451 265 E N 0.817 121.055 120.200 0.064 0.000 2.474 265 E HA 0.032 4.395 4.350 0.022 0.000 0.195 265 E C -0.187 176.404 176.600 -0.015 0.000 1.039 265 E CA -0.081 56.338 56.400 0.033 0.000 0.881 265 E CB 0.222 29.952 29.700 0.050 0.000 0.970 265 E HN 0.252 nan 8.360 nan 0.000 0.486 266 R N -0.013 120.483 120.500 -0.006 0.000 2.992 266 R HA -0.124 4.229 4.340 0.022 0.000 0.263 266 R C -0.723 175.537 176.300 -0.066 0.000 0.902 266 R CA 0.220 56.300 56.100 -0.033 0.000 0.667 266 R CB -3.063 27.199 30.300 -0.064 0.000 1.504 266 R HN -0.087 nan 8.270 nan 0.000 0.489 267 V N 0.826 120.721 119.914 -0.031 0.000 2.313 267 V HA 0.811 4.944 4.120 0.022 0.000 0.278 267 V C 1.158 177.335 176.094 0.139 0.000 1.017 267 V CA 0.065 62.358 62.300 -0.012 0.000 0.823 267 V CB 1.911 33.714 31.823 -0.033 0.000 1.010 267 V HN 0.700 nan 8.190 nan 0.000 0.443 268 G N 2.909 111.794 108.800 0.142 0.000 2.866 268 G HA2 0.936 4.909 3.960 0.022 0.000 0.289 268 G HA3 0.936 4.909 3.960 0.022 0.000 0.289 268 G C -1.337 173.740 174.900 0.295 0.000 1.396 268 G CA -0.297 44.901 45.100 0.163 0.000 0.848 268 G HN 1.126 nan 8.290 nan 0.000 0.515 269 A N -1.641 121.295 122.820 0.193 0.000 2.566 269 A HA 0.584 4.917 4.320 0.022 0.000 0.297 269 A C -1.264 176.404 177.584 0.139 0.000 1.059 269 A CA -0.340 51.836 52.037 0.232 0.000 0.691 269 A CB 1.296 20.426 19.000 0.216 0.000 1.282 269 A HN 1.717 nan 8.150 nan 0.000 0.401 270 C N 2.119 121.518 119.300 0.164 0.000 2.293 270 C HA 0.802 5.275 4.460 0.022 0.000 0.323 270 C C 0.079 175.157 174.990 0.146 0.000 1.240 270 C CA 0.099 59.203 59.018 0.143 0.000 1.497 270 C CB -0.370 27.457 27.740 0.144 0.000 2.171 270 C HN 0.821 nan 8.230 nan 0.000 0.465 271 T N 6.465 121.088 114.554 0.115 0.000 2.794 271 T HA 0.530 4.893 4.350 0.022 0.000 0.280 271 T C -0.715 174.056 174.700 0.118 0.000 0.987 271 T CA -0.226 61.939 62.100 0.108 0.000 0.993 271 T CB 1.219 70.144 68.868 0.096 0.000 0.939 271 T HN 0.597 nan 8.240 nan 0.000 0.449 272 L N 4.894 126.168 121.223 0.085 0.000 2.322 272 L HA 0.743 5.096 4.340 0.022 0.000 0.281 272 L C -1.050 175.855 176.870 0.059 0.000 1.014 272 L CA -0.492 54.391 54.840 0.071 0.000 0.815 272 L CB 1.525 43.609 42.059 0.043 0.000 1.247 272 L HN 0.426 nan 8.230 nan 0.000 0.421 273 V N 4.483 124.446 119.914 0.081 0.000 2.540 273 V HA 0.945 5.078 4.120 0.022 0.000 0.302 273 V C -0.058 176.072 176.094 0.060 0.000 1.035 273 V CA -0.234 62.087 62.300 0.035 0.000 0.873 273 V CB 1.259 33.083 31.823 0.001 0.000 0.992 273 V HN 0.984 nan 8.190 nan 0.000 0.428 274 A N 2.943 125.784 122.820 0.035 0.000 2.486 274 A HA 0.911 5.244 4.320 0.022 0.000 0.289 274 A C 1.075 178.677 177.584 0.030 0.000 1.176 274 A CA 0.053 52.125 52.037 0.059 0.000 0.757 274 A CB 1.368 20.413 19.000 0.074 0.000 1.337 274 A HN 1.215 nan 8.150 nan 0.000 0.423 275 A N -0.198 122.647 122.820 0.041 0.000 1.917 275 A HA 0.125 4.458 4.320 0.022 0.000 0.219 275 A C 0.669 178.256 177.584 0.005 0.000 1.182 275 A CA 2.549 54.599 52.037 0.022 0.000 0.633 275 A CB -0.822 18.195 19.000 0.028 0.000 0.819 275 A HN 1.096 nan 8.150 nan 0.000 0.448 276 D N -4.741 115.666 120.400 0.011 0.000 2.610 276 D HA 0.428 5.081 4.640 0.022 0.000 0.271 276 D C 0.561 176.863 176.300 0.003 0.000 1.174 276 D CA 0.082 54.083 54.000 0.002 0.000 0.949 276 D CB 0.713 41.517 40.800 0.006 0.000 1.430 276 D HN -0.135 nan 8.370 nan 0.000 0.467 277 S N -0.997 114.700 115.700 -0.004 0.000 2.382 277 S HA -0.215 4.268 4.470 0.022 0.000 0.228 277 S C 1.516 176.124 174.600 0.014 0.000 1.027 277 S CA 1.496 59.694 58.200 -0.004 0.000 0.991 277 S CB -0.488 62.707 63.200 -0.008 0.000 0.823 277 S HN 0.506 nan 8.310 nan 0.000 0.469 278 E N 0.523 120.735 120.200 0.020 0.000 2.051 278 E HA -0.109 4.254 4.350 0.022 0.000 0.192 278 E C 2.037 178.666 176.600 0.047 0.000 0.991 278 E CA 1.767 58.185 56.400 0.031 0.000 0.799 278 E CB -0.768 28.948 29.700 0.027 0.000 0.748 278 E HN 0.560 nan 8.360 nan 0.000 0.449 279 T N 0.943 115.526 114.554 0.048 0.000 2.708 279 T HA -0.120 4.243 4.350 0.022 0.000 0.266 279 T C 1.940 176.694 174.700 0.091 0.000 1.037 279 T CA 1.320 63.461 62.100 0.068 0.000 1.146 279 T CB -0.462 68.445 68.868 0.065 0.000 0.865 279 T HN 0.061 nan 8.240 nan 0.000 0.435 280 V N 1.760 121.717 119.914 0.072 0.000 2.407 280 V HA -0.201 3.932 4.120 0.022 0.000 0.248 280 V C 1.911 178.075 176.094 0.118 0.000 1.055 280 V CA 2.124 64.473 62.300 0.080 0.000 1.049 280 V CB -0.574 31.259 31.823 0.017 0.000 0.662 280 V HN 0.405 nan 8.190 nan 0.000 0.455 281 D N -0.625 119.831 120.400 0.093 0.000 2.144 281 D HA -0.153 4.500 4.640 0.022 0.000 0.200 281 D C 2.314 178.712 176.300 0.164 0.000 0.978 281 D CA 1.351 55.429 54.000 0.129 0.000 0.833 281 D CB -0.204 40.645 40.800 0.081 0.000 0.961 281 D HN 0.387 nan 8.370 nan 0.000 0.470 282 R N 0.234 120.812 120.500 0.131 0.000 2.062 282 R HA -0.005 4.348 4.340 0.022 0.000 0.229 282 R C 2.057 178.456 176.300 0.165 0.000 1.128 282 R CA 1.278 57.452 56.100 0.124 0.000 0.960 282 R CB -0.130 30.229 30.300 0.098 0.000 0.855 282 R HN 0.138 nan 8.270 nan 0.000 0.432 283 A N 0.303 123.245 122.820 0.204 0.000 1.877 283 A HA -0.184 4.149 4.320 0.022 0.000 0.216 283 A C 1.977 179.725 177.584 0.273 0.000 1.186 283 A CA 1.185 53.401 52.037 0.297 0.000 0.620 283 A CB -0.810 18.387 19.000 0.329 0.000 0.822 283 A HN 0.488 nan 8.150 nan 0.000 0.443 284 F N 1.974 121.947 119.950 0.040 0.000 2.202 284 F HA -0.206 4.334 4.527 0.021 0.000 0.301 284 F C 2.765 178.574 175.800 0.016 0.000 1.082 284 F CA 1.659 59.642 58.000 -0.029 0.000 1.313 284 F CB -0.305 38.683 39.000 -0.020 0.000 1.024 284 F HN 0.342 nan 8.300 nan 0.000 0.495 285 S N -0.670 115.073 115.700 0.071 0.000 2.399 285 S HA -0.225 4.258 4.470 0.022 0.000 0.231 285 S C 1.899 176.470 174.600 -0.048 0.000 1.022 285 S CA 1.129 59.318 58.200 -0.018 0.000 0.983 285 S CB -0.548 62.684 63.200 0.053 0.000 0.803 285 S HN 0.484 nan 8.310 nan 0.000 0.480 286 Q N 0.345 120.178 119.800 0.055 0.000 2.245 286 Q HA 0.136 4.489 4.340 0.022 0.000 0.201 286 Q C 2.083 178.153 176.000 0.117 0.000 0.955 286 Q CA 1.105 56.980 55.803 0.119 0.000 0.870 286 Q CB -0.387 28.496 28.738 0.240 0.000 0.945 286 Q HN 0.747 nan 8.270 nan 0.000 0.461 287 M N 0.492 120.077 119.600 -0.025 0.000 2.132 287 M HA -0.150 4.343 4.480 0.022 0.000 0.263 287 M C 1.713 177.845 176.300 -0.281 0.000 1.065 287 M CA 1.450 56.634 55.300 -0.193 0.000 1.122 287 M CB 0.117 32.396 32.600 -0.536 0.000 1.365 287 M HN -0.043 nan 8.290 nan 0.000 0.411 288 K N 0.176 120.311 120.400 -0.441 0.000 2.097 288 K HA -0.103 4.231 4.320 0.022 0.000 0.206 288 K C 1.951 178.431 176.600 -0.201 0.000 1.049 288 K CA 1.358 57.429 56.287 -0.359 0.000 0.933 288 K CB -0.291 31.989 32.500 -0.367 0.000 0.717 288 K HN 0.443 nan 8.250 nan 0.000 0.442 289 A N 1.508 124.249 122.820 -0.132 0.000 1.972 289 A HA -0.081 4.252 4.320 0.022 0.000 0.219 289 A C 2.336 179.870 177.584 -0.083 0.000 1.169 289 A CA 1.704 53.690 52.037 -0.085 0.000 0.635 289 A CB -0.479 18.498 19.000 -0.039 0.000 0.810 289 A HN 0.325 nan 8.150 nan 0.000 0.446 290 A N -0.288 122.496 122.820 -0.060 0.000 1.968 290 A HA 0.030 4.363 4.320 0.022 0.000 0.217 290 A C 2.053 179.558 177.584 -0.132 0.000 1.169 290 A CA 1.316 53.326 52.037 -0.045 0.000 0.638 290 A CB -0.470 18.556 19.000 0.043 0.000 0.812 290 A HN 0.495 nan 8.150 nan 0.000 0.446 291 I N -1.158 119.286 120.570 -0.209 0.000 2.333 291 I HA -0.188 3.995 4.170 0.022 0.000 0.246 291 I C 2.666 178.517 176.117 -0.444 0.000 1.106 291 I CA 0.913 61.965 61.300 -0.412 0.000 1.411 291 I CB -0.298 37.474 38.000 -0.380 0.000 1.082 291 I HN 0.242 nan 8.210 nan 0.000 0.420 292 R N 0.514 120.850 120.500 -0.273 0.000 2.117 292 R HA -0.152 4.201 4.340 0.022 0.000 0.243 292 R C 1.937 178.129 176.300 -0.179 0.000 1.143 292 R CA 1.812 57.786 56.100 -0.211 0.000 0.968 292 R CB -0.415 29.798 30.300 -0.145 0.000 0.863 292 R HN 0.396 nan 8.270 nan 0.000 0.444 293 V N -1.047 118.777 119.914 -0.151 0.000 3.620 293 V HA 0.097 4.230 4.120 0.022 0.000 0.286 293 V C 0.929 176.961 176.094 -0.103 0.000 1.288 293 V CA 0.534 62.772 62.300 -0.104 0.000 1.178 293 V CB -0.239 31.543 31.823 -0.068 0.000 0.986 293 V HN 0.190 nan 8.190 nan 0.000 0.431 294 N N 1.843 120.436 118.700 -0.179 0.000 2.784 294 N HA 0.110 4.863 4.740 0.022 0.000 0.227 294 N C 1.322 176.785 175.510 -0.078 0.000 1.109 294 N CA 1.403 54.376 53.050 -0.129 0.000 1.184 294 N CB 0.049 38.435 38.487 -0.169 0.000 1.554 294 N HN 0.575 nan 8.380 nan 0.000 0.589 295 Y N -1.078 119.216 120.300 -0.011 0.000 2.531 295 Y HA 0.574 5.138 4.550 0.023 0.000 0.249 295 Y C 1.360 177.252 175.900 -0.013 0.000 1.168 295 Y CA 0.337 58.433 58.100 -0.007 0.000 1.226 295 Y CB -0.093 38.367 38.460 -0.000 0.000 1.177 295 Y HN 0.205 nan 8.280 nan 0.000 0.527 296 S N 0.671 116.220 115.700 -0.253 0.000 3.686 296 S HA -0.272 4.211 4.470 0.022 0.000 0.247 296 S C 0.445 174.986 174.600 -0.099 0.000 1.674 296 S CA 1.832 59.932 58.200 -0.168 0.000 3.746 296 S CB -1.854 61.289 63.200 -0.094 0.000 0.692 296 S HN 1.214 nan 8.310 nan 0.000 0.466 297 S N 2.611 118.387 115.700 0.127 0.000 2.595 297 S HA 0.819 5.302 4.470 0.022 0.000 0.281 297 S C -3.181 171.633 174.600 0.356 0.000 1.117 297 S CA -0.900 57.422 58.200 0.204 0.000 0.873 297 S CB 2.589 65.871 63.200 0.138 0.000 1.108 297 S HN 0.654 nan 8.310 nan 0.000 0.477 298 P HA 0.440 nan 4.420 nan 0.000 0.278 298 P C -2.792 174.498 177.300 -0.016 0.000 1.258 298 P CA -1.705 61.423 63.100 0.047 0.000 0.811 298 P CB -0.463 31.233 31.700 -0.008 0.000 1.063 299 P HA 0.112 nan 4.420 nan 0.000 0.276 299 P C 0.403 177.648 177.300 -0.093 0.000 1.235 299 P CA -0.043 63.017 63.100 -0.068 0.000 0.772 299 P CB 0.780 32.432 31.700 -0.081 0.000 0.871 300 A N 3.460 126.249 122.820 -0.053 0.000 1.872 300 A HA -0.213 4.120 4.320 0.022 0.000 0.214 300 A C 2.151 179.684 177.584 -0.086 0.000 1.187 300 A CA 1.692 53.685 52.037 -0.073 0.000 0.614 300 A CB -1.698 17.283 19.000 -0.031 0.000 0.826 300 A HN 0.663 nan 8.150 nan 0.000 0.442 301 H N -0.248 118.758 119.070 -0.106 0.000 2.261 301 H HA -0.165 4.392 4.556 0.002 0.000 0.290 301 H C 2.258 177.507 175.328 -0.133 0.000 1.081 301 H CA 2.648 58.638 56.048 -0.097 0.000 1.196 301 H CB -0.828 28.893 29.762 -0.069 0.000 1.350 301 H HN 0.349 nan 8.280 nan 0.000 0.498 302 G N -0.324 108.382 108.800 -0.157 0.000 2.529 302 G HA2 -0.343 3.630 3.960 0.022 0.000 0.219 302 G HA3 -0.343 3.630 3.960 0.022 0.000 0.219 302 G C 1.920 176.599 174.900 -0.368 0.000 1.177 302 G CA 1.776 46.732 45.100 -0.240 0.000 0.773 302 G HN 0.687 nan 8.290 nan 0.000 0.573 303 A N 0.270 122.832 122.820 -0.429 0.000 1.933 303 A HA 0.045 4.379 4.320 0.022 0.000 0.218 303 A C 2.708 180.051 177.584 -0.402 0.000 1.175 303 A CA 2.233 53.887 52.037 -0.639 0.000 0.628 303 A CB -0.544 17.831 19.000 -1.042 0.000 0.814 303 A HN 0.334 nan 8.150 nan 0.000 0.444 304 S N -0.467 115.040 115.700 -0.322 0.000 2.368 304 S HA -0.132 4.352 4.470 0.022 0.000 0.225 304 S C 1.910 176.356 174.600 -0.256 0.000 1.030 304 S CA 1.391 59.454 58.200 -0.228 0.000 0.999 304 S CB -0.456 62.635 63.200 -0.182 0.000 0.844 304 S HN 0.360 nan 8.310 nan 0.000 0.459 305 V N 1.542 121.245 119.914 -0.352 0.000 2.255 305 V HA -0.172 3.961 4.120 0.022 0.000 0.247 305 V C 2.339 178.222 176.094 -0.352 0.000 1.051 305 V CA 1.619 63.724 62.300 -0.324 0.000 1.018 305 V CB -0.803 30.813 31.823 -0.345 0.000 0.641 305 V HN 0.336 nan 8.190 nan 0.000 0.445 306 V N 0.303 119.909 119.914 -0.512 0.000 2.287 306 V HA -0.312 3.821 4.120 0.022 0.000 0.248 306 V C 2.703 178.504 176.094 -0.487 0.000 1.053 306 V CA 2.261 64.086 62.300 -0.792 0.000 1.027 306 V CB -1.227 29.965 31.823 -1.053 0.000 0.646 306 V HN 0.582 nan 8.190 nan 0.000 0.447 307 A N -0.606 122.057 122.820 -0.261 0.000 1.933 307 A HA -0.219 4.115 4.320 0.022 0.000 0.218 307 A C 2.386 179.860 177.584 -0.183 0.000 1.175 307 A CA 2.453 54.389 52.037 -0.168 0.000 0.628 307 A CB -0.919 18.050 19.000 -0.051 0.000 0.814 307 A HN 0.518 nan 8.150 nan 0.000 0.444 308 T N 0.285 114.719 114.554 -0.200 0.000 2.708 308 T HA -0.082 4.281 4.350 0.022 0.000 0.266 308 T C 1.812 176.386 174.700 -0.209 0.000 1.037 308 T CA 1.515 63.481 62.100 -0.224 0.000 1.146 308 T CB -0.375 68.346 68.868 -0.245 0.000 0.865 308 T HN 0.425 nan 8.240 nan 0.000 0.435 309 I N 0.714 121.173 120.570 -0.186 0.000 2.179 309 I HA -0.115 4.069 4.170 0.022 0.000 0.242 309 I C 2.172 178.226 176.117 -0.105 0.000 1.088 309 I CA 1.272 62.500 61.300 -0.120 0.000 1.357 309 I CB -0.339 37.618 38.000 -0.072 0.000 1.051 309 I HN 0.186 nan 8.210 nan 0.000 0.409 310 L N 0.298 121.420 121.223 -0.167 0.000 2.362 310 L HA -0.122 4.231 4.340 0.022 0.000 0.219 310 L C 2.362 179.182 176.870 -0.083 0.000 1.134 310 L CA 1.183 55.948 54.840 -0.124 0.000 0.807 310 L CB -0.457 41.482 42.059 -0.200 0.000 0.927 310 L HN 0.361 nan 8.230 nan 0.000 0.447 311 S N -2.306 113.332 115.700 -0.104 0.000 2.535 311 S HA 0.026 4.509 4.470 0.022 0.000 0.214 311 S C 0.769 175.324 174.600 -0.076 0.000 0.980 311 S CA -0.436 57.714 58.200 -0.083 0.000 0.907 311 S CB -0.120 63.026 63.200 -0.091 0.000 0.790 311 S HN 0.337 nan 8.310 nan 0.000 0.510 312 N N 1.514 120.162 118.700 -0.085 0.000 2.476 312 N HA 0.190 4.943 4.740 0.022 0.000 0.257 312 N C -0.529 174.960 175.510 -0.034 0.000 0.970 312 N CA -0.143 52.861 53.050 -0.078 0.000 0.938 312 N CB 1.537 39.946 38.487 -0.130 0.000 1.144 312 N HN -0.101 nan 8.380 nan 0.000 0.500 313 D N 3.164 123.551 120.400 -0.020 0.000 2.133 313 D HA -0.200 4.453 4.640 0.022 0.000 0.192 313 D C 1.597 177.900 176.300 0.005 0.000 1.001 313 D CA 1.757 55.755 54.000 -0.002 0.000 0.844 313 D CB -0.067 40.730 40.800 -0.004 0.000 0.944 313 D HN 0.720 nan 8.370 nan 0.000 0.447 314 A N 0.588 123.406 122.820 -0.004 0.000 1.858 314 A HA -0.116 4.217 4.320 0.022 0.000 0.216 314 A C 2.485 180.076 177.584 0.012 0.000 1.190 314 A CA 1.015 53.053 52.037 0.001 0.000 0.617 314 A CB -0.872 18.126 19.000 -0.003 0.000 0.827 314 A HN 0.221 nan 8.150 nan 0.000 0.443 315 L N -1.129 120.096 121.223 0.004 0.000 2.083 315 L HA -0.193 4.160 4.340 0.022 0.000 0.209 315 L C 2.821 179.743 176.870 0.086 0.000 1.083 315 L CA 1.794 56.649 54.840 0.025 0.000 0.752 315 L CB -0.469 41.579 42.059 -0.018 0.000 0.899 315 L HN 0.493 nan 8.230 nan 0.000 0.433 316 R N 0.292 120.844 120.500 0.087 0.000 2.081 316 R HA -0.171 4.182 4.340 0.022 0.000 0.235 316 R C 2.370 178.766 176.300 0.159 0.000 1.131 316 R CA 1.425 57.637 56.100 0.186 0.000 0.960 316 R CB -0.228 30.154 30.300 0.138 0.000 0.856 316 R HN 0.324 nan 8.270 nan 0.000 0.436 317 A N 1.122 123.979 122.820 0.062 0.000 1.883 317 A HA -0.171 4.162 4.320 0.022 0.000 0.217 317 A C 2.168 179.738 177.584 -0.023 0.000 1.186 317 A CA 1.685 53.725 52.037 0.004 0.000 0.624 317 A CB -0.605 18.392 19.000 -0.005 0.000 0.822 317 A HN 0.380 nan 8.150 nan 0.000 0.444 318 I N -2.393 118.182 120.570 0.009 0.000 2.127 318 I HA -0.283 3.900 4.170 0.022 0.000 0.241 318 I C 2.466 178.565 176.117 -0.030 0.000 1.075 318 I CA 1.844 63.139 61.300 -0.008 0.000 1.334 318 I CB -0.474 37.540 38.000 0.023 0.000 1.040 318 I HN 0.742 nan 8.210 nan 0.000 0.405 319 W N 2.386 123.605 121.300 -0.135 0.000 2.335 319 W HA -0.220 4.453 4.660 0.022 0.000 0.311 319 W C 2.341 178.704 176.519 -0.260 0.000 1.213 319 W CA 1.613 58.825 57.345 -0.222 0.000 1.274 319 W CB -0.361 28.939 29.460 -0.266 0.000 1.148 319 W HN 0.080 nan 8.180 nan 0.000 0.498 320 E N -0.394 119.422 120.200 -0.641 0.000 2.153 320 E HA -0.308 4.056 4.350 0.022 0.000 0.194 320 E C 1.989 178.224 176.600 -0.608 0.000 0.988 320 E CA 1.498 57.375 56.400 -0.872 0.000 0.811 320 E CB -0.209 29.221 29.700 -0.451 0.000 0.746 320 E HN 0.266 nan 8.360 nan 0.000 0.466 321 Q N 1.103 120.669 119.800 -0.390 0.000 2.137 321 Q HA -0.128 4.225 4.340 0.022 0.000 0.198 321 Q C 1.527 177.341 176.000 -0.310 0.000 0.960 321 Q CA 1.401 57.034 55.803 -0.283 0.000 0.847 321 Q CB 0.137 28.771 28.738 -0.173 0.000 0.915 321 Q HN 0.260 nan 8.270 nan 0.000 0.448 322 E N -0.195 119.803 120.200 -0.337 0.000 2.110 322 E HA -0.181 4.182 4.350 0.022 0.000 0.193 322 E C 1.854 178.195 176.600 -0.431 0.000 0.988 322 E CA 1.058 57.276 56.400 -0.304 0.000 0.804 322 E CB -0.202 29.362 29.700 -0.227 0.000 0.745 322 E HN 0.271 nan 8.360 nan 0.000 0.458 323 L N 1.139 121.967 121.223 -0.658 0.000 2.017 323 L HA -0.144 4.209 4.340 0.022 0.000 0.208 323 L C 2.253 178.773 176.870 -0.584 0.000 1.073 323 L CA 1.942 56.338 54.840 -0.740 0.000 0.745 323 L CB -0.774 40.658 42.059 -1.045 0.000 0.894 323 L HN -0.004 nan 8.230 nan 0.000 0.432 324 T N -0.388 113.877 114.554 -0.481 0.000 2.759 324 T HA -0.167 4.196 4.350 0.022 0.000 0.269 324 T C 1.462 176.020 174.700 -0.238 0.000 1.042 324 T CA 1.572 63.475 62.100 -0.329 0.000 1.140 324 T CB -0.341 68.368 68.868 -0.265 0.000 0.864 324 T HN 0.409 nan 8.240 nan 0.000 0.455 325 D N 0.785 121.049 120.400 -0.227 0.000 2.144 325 D HA 0.023 4.676 4.640 0.022 0.000 0.200 325 D C 2.116 178.351 176.300 -0.108 0.000 0.978 325 D CA 0.884 54.803 54.000 -0.137 0.000 0.833 325 D CB -0.246 40.486 40.800 -0.114 0.000 0.961 325 D HN 0.401 nan 8.370 nan 0.000 0.470 326 M N 0.033 119.491 119.600 -0.238 0.000 2.086 326 M HA -0.122 4.371 4.480 0.022 0.000 0.261 326 M C 2.376 178.690 176.300 0.024 0.000 1.067 326 M CA 1.132 56.282 55.300 -0.250 0.000 1.116 326 M CB -0.233 31.990 32.600 -0.627 0.000 1.348 326 M HN -0.093 nan 8.290 nan 0.000 0.407 327 R N 0.641 121.066 120.500 -0.124 0.000 2.083 327 R HA -0.201 4.152 4.340 0.022 0.000 0.237 327 R C 2.069 178.392 176.300 0.038 0.000 1.137 327 R CA 1.907 57.995 56.100 -0.020 0.000 0.951 327 R CB -0.172 30.029 30.300 -0.164 0.000 0.851 327 R HN 0.481 nan 8.270 nan 0.000 0.434 328 Q N -0.474 119.321 119.800 -0.009 0.000 2.167 328 Q HA -0.164 4.189 4.340 0.022 0.000 0.202 328 Q C 2.227 178.257 176.000 0.051 0.000 0.970 328 Q CA 1.332 57.142 55.803 0.012 0.000 0.855 328 Q CB -0.100 28.627 28.738 -0.018 0.000 0.911 328 Q HN 0.312 nan 8.270 nan 0.000 0.438 329 R N 0.723 121.278 120.500 0.091 0.000 2.092 329 R HA -0.107 4.246 4.340 0.022 0.000 0.231 329 R C 2.095 178.456 176.300 0.102 0.000 1.119 329 R CA 0.979 57.146 56.100 0.111 0.000 0.970 329 R CB -0.095 30.319 30.300 0.190 0.000 0.864 329 R HN 0.240 nan 8.270 nan 0.000 0.440 330 I N 0.808 121.466 120.570 0.147 0.000 2.142 330 I HA -0.309 3.874 4.170 0.022 0.000 0.240 330 I C 2.345 178.500 176.117 0.065 0.000 1.078 330 I CA 1.492 62.854 61.300 0.103 0.000 1.343 330 I CB -0.411 37.678 38.000 0.148 0.000 1.046 330 I HN 0.289 nan 8.210 nan 0.000 0.405 331 Q N 0.208 120.051 119.800 0.072 0.000 2.181 331 Q HA -0.240 4.113 4.340 0.022 0.000 0.205 331 Q C 2.324 178.351 176.000 0.045 0.000 0.980 331 Q CA 1.346 57.184 55.803 0.059 0.000 0.862 331 Q CB -0.235 28.535 28.738 0.054 0.000 0.905 331 Q HN 0.421 nan 8.270 nan 0.000 0.429 332 R N 0.055 120.579 120.500 0.039 0.000 2.073 332 R HA -0.059 4.294 4.340 0.022 0.000 0.229 332 R C 2.080 178.395 176.300 0.025 0.000 1.120 332 R CA 1.015 57.132 56.100 0.029 0.000 0.967 332 R CB 0.105 30.420 30.300 0.026 0.000 0.862 332 R HN 0.201 nan 8.270 nan 0.000 0.436 333 M N 0.155 119.767 119.600 0.020 0.000 2.296 333 M HA -0.113 4.380 4.480 0.022 0.000 0.265 333 M C 1.993 178.309 176.300 0.028 0.000 1.064 333 M CA 1.437 56.741 55.300 0.006 0.000 1.109 333 M CB -0.660 31.922 32.600 -0.030 0.000 1.396 333 M HN 0.147 nan 8.290 nan 0.000 0.430 334 R N -0.391 120.130 120.500 0.035 0.000 2.073 334 R HA -0.143 4.210 4.340 0.022 0.000 0.234 334 R C 2.333 178.678 176.300 0.075 0.000 1.134 334 R CA 1.080 57.219 56.100 0.066 0.000 0.952 334 R CB -0.163 30.178 30.300 0.069 0.000 0.850 334 R HN 0.387 nan 8.270 nan 0.000 0.433 335 Q N 0.450 120.276 119.800 0.044 0.000 2.050 335 Q HA -0.144 4.209 4.340 0.022 0.000 0.202 335 Q C 2.214 178.218 176.000 0.007 0.000 0.980 335 Q CA 1.394 57.209 55.803 0.020 0.000 0.840 335 Q CB -0.245 28.503 28.738 0.016 0.000 0.898 335 Q HN 0.194 nan 8.270 nan 0.000 0.424 336 L N -0.098 121.137 121.223 0.020 0.000 2.042 336 L HA -0.169 4.184 4.340 0.022 0.000 0.210 336 L C 2.168 179.047 176.870 0.016 0.000 1.076 336 L CA 1.411 56.257 54.840 0.010 0.000 0.749 336 L CB -0.995 41.074 42.059 0.016 0.000 0.893 336 L HN 0.169 nan 8.230 nan 0.000 0.432 337 F N -0.309 119.558 119.950 -0.137 0.000 2.069 337 F HA -0.219 4.322 4.527 0.023 0.000 0.298 337 F C 2.323 177.980 175.800 -0.238 0.000 1.113 337 F CA 1.654 59.528 58.000 -0.209 0.000 1.214 337 F CB -0.618 38.223 39.000 -0.265 0.000 0.978 337 F HN -0.123 nan 8.300 nan 0.000 0.474 338 V N 1.110 120.850 119.914 -0.291 0.000 2.295 338 V HA -0.343 3.790 4.120 0.022 0.000 0.246 338 V C 2.347 178.280 176.094 -0.267 0.000 1.049 338 V CA 2.198 64.279 62.300 -0.364 0.000 1.024 338 V CB -0.924 30.799 31.823 -0.166 0.000 0.648 338 V HN 0.372 nan 8.190 nan 0.000 0.447 339 N N 0.264 118.870 118.700 -0.157 0.000 2.084 339 N HA -0.147 4.606 4.740 0.022 0.000 0.190 339 N C 1.911 177.340 175.510 -0.135 0.000 1.030 339 N CA 2.107 55.089 53.050 -0.113 0.000 0.849 339 N CB -0.660 37.788 38.487 -0.066 0.000 1.012 339 N HN 0.474 nan 8.380 nan 0.000 0.423 340 T N 1.780 116.243 114.554 -0.152 0.000 2.833 340 T HA -0.056 4.307 4.350 0.022 0.000 0.269 340 T C 1.939 176.512 174.700 -0.212 0.000 1.054 340 T CA 0.366 62.379 62.100 -0.146 0.000 1.135 340 T CB -0.158 68.643 68.868 -0.111 0.000 0.869 340 T HN 0.009 nan 8.240 nan 0.000 0.466 341 L N 1.239 122.252 121.223 -0.350 0.000 2.046 341 L HA -0.045 4.308 4.340 0.022 0.000 0.208 341 L C 2.548 179.283 176.870 -0.225 0.000 1.077 341 L CA 1.674 56.269 54.840 -0.408 0.000 0.747 341 L CB -0.890 40.741 42.059 -0.713 0.000 0.896 341 L HN 0.298 nan 8.230 nan 0.000 0.432 342 Q N -0.612 119.086 119.800 -0.170 0.000 2.046 342 Q HA -0.228 4.125 4.340 0.022 0.000 0.200 342 Q C 1.800 177.756 176.000 -0.073 0.000 0.975 342 Q CA 1.727 57.477 55.803 -0.089 0.000 0.836 342 Q CB -0.208 28.490 28.738 -0.067 0.000 0.896 342 Q HN 0.694 nan 8.270 nan 0.000 0.428 343 E N 0.182 120.334 120.200 -0.080 0.000 2.516 343 E HA -0.111 4.253 4.350 0.022 0.000 0.199 343 E C 1.233 177.796 176.600 -0.062 0.000 1.069 343 E CA 0.543 56.907 56.400 -0.060 0.000 0.876 343 E CB 0.141 29.808 29.700 -0.055 0.000 0.843 343 E HN 0.013 nan 8.360 nan 0.000 0.530 344 K N -0.074 120.276 120.400 -0.083 0.000 2.367 344 K HA 0.116 4.449 4.320 0.022 0.000 0.194 344 K C 1.050 177.612 176.600 -0.064 0.000 1.027 344 K CA 0.702 56.941 56.287 -0.080 0.000 1.075 344 K CB 1.253 33.685 32.500 -0.113 0.000 0.845 344 K HN 0.360 nan 8.250 nan 0.000 0.529 345 G N 0.956 109.724 108.800 -0.054 0.000 2.168 345 G HA2 -0.214 3.759 3.960 0.022 0.000 0.197 345 G HA3 -0.214 3.759 3.960 0.022 0.000 0.197 345 G C 0.204 175.093 174.900 -0.019 0.000 0.997 345 G CA -0.067 45.014 45.100 -0.031 0.000 0.658 345 G HN 0.381 nan 8.290 nan 0.000 0.513 346 A N 1.059 123.860 122.820 -0.031 0.000 2.561 346 A HA 0.418 4.751 4.320 0.022 0.000 0.251 346 A C 1.584 179.206 177.584 0.064 0.000 1.062 346 A CA 1.004 53.053 52.037 0.021 0.000 0.761 346 A CB 0.105 19.112 19.000 0.012 0.000 0.986 346 A HN 0.920 nan 8.150 nan 0.000 0.510 347 N N 2.872 121.621 118.700 0.081 0.000 2.409 347 N HA -0.074 4.679 4.740 0.022 0.000 0.179 347 N C 0.683 176.236 175.510 0.072 0.000 1.032 347 N CA 0.534 53.622 53.050 0.064 0.000 0.898 347 N CB 0.173 38.692 38.487 0.054 0.000 0.971 347 N HN 0.730 nan 8.380 nan 0.000 0.441 348 R N 0.666 121.242 120.500 0.127 0.000 2.598 348 R HA 0.176 4.529 4.340 0.022 0.000 0.279 348 R C -1.509 174.812 176.300 0.035 0.000 0.984 348 R CA -0.599 55.520 56.100 0.033 0.000 0.999 348 R CB 1.161 31.418 30.300 -0.072 0.000 1.114 348 R HN -0.075 nan 8.270 nan 0.000 0.493 349 D N 2.146 122.500 120.400 -0.076 0.000 2.274 349 D HA 0.138 4.791 4.640 0.022 0.000 0.239 349 D C -0.653 175.563 176.300 -0.139 0.000 1.104 349 D CA -0.252 53.741 54.000 -0.011 0.000 0.840 349 D CB 0.516 41.331 40.800 0.026 0.000 1.100 349 D HN 0.414 nan 8.370 nan 0.000 0.477 350 F N 1.713 121.585 119.950 -0.129 0.000 2.647 350 F HA 0.103 4.644 4.527 0.022 0.000 0.300 350 F C 2.297 177.786 175.800 -0.518 0.000 1.106 350 F CA -0.256 57.495 58.000 -0.415 0.000 1.313 350 F CB -0.102 38.616 39.000 -0.470 0.000 1.007 350 F HN 0.395 nan 8.300 nan 0.000 0.536 351 S N 0.412 116.057 115.700 -0.090 0.000 2.440 351 S HA -0.299 4.185 4.470 0.022 0.000 0.238 351 S C 1.965 176.556 174.600 -0.014 0.000 1.010 351 S CA 1.294 59.469 58.200 -0.041 0.000 0.972 351 S CB -1.379 61.841 63.200 0.032 0.000 0.774 351 S HN 0.521 nan 8.310 nan 0.000 0.501 352 F N 2.158 122.157 119.950 0.082 0.000 2.494 352 F HA 0.085 4.625 4.527 0.022 0.000 0.298 352 F C 1.878 177.772 175.800 0.157 0.000 1.106 352 F CA 0.879 58.928 58.000 0.081 0.000 1.452 352 F CB -1.849 37.124 39.000 -0.044 0.000 1.085 352 F HN 0.058 nan 8.300 nan 0.000 0.569 353 T N 1.879 116.298 114.554 -0.225 0.000 2.833 353 T HA -0.113 4.250 4.350 0.022 0.000 0.269 353 T C 2.002 176.802 174.700 0.167 0.000 1.054 353 T CA 1.460 63.602 62.100 0.070 0.000 1.135 353 T CB -0.280 68.611 68.868 0.038 0.000 0.869 353 T HN 0.242 nan 8.240 nan 0.000 0.466 354 I N 1.615 122.250 120.570 0.110 0.000 2.335 354 I HA -0.129 4.054 4.170 0.022 0.000 0.251 354 I C 2.150 178.355 176.117 0.147 0.000 1.129 354 I CA 1.389 62.757 61.300 0.114 0.000 1.402 354 I CB -0.925 37.124 38.000 0.082 0.000 1.069 354 I HN 0.346 nan 8.210 nan 0.000 0.424 355 K N 0.569 121.082 120.400 0.187 0.000 2.217 355 K HA -0.071 4.262 4.320 0.022 0.000 0.202 355 K C 0.725 177.453 176.600 0.213 0.000 1.051 355 K CA 0.282 56.685 56.287 0.194 0.000 0.952 355 K CB -0.107 32.525 32.500 0.220 0.000 0.736 355 K HN 0.491 nan 8.250 nan 0.000 0.453 356 Q N 1.790 121.741 119.800 0.252 0.000 2.311 356 Q HA 0.056 4.409 4.340 0.022 0.000 0.272 356 Q C -0.432 175.684 176.000 0.194 0.000 1.012 356 Q CA -0.032 55.924 55.803 0.256 0.000 0.891 356 Q CB 0.503 29.432 28.738 0.317 0.000 1.201 356 Q HN 0.115 nan 8.270 nan 0.000 0.391 357 N N 1.061 119.870 118.700 0.181 0.000 2.492 357 N HA 0.563 5.316 4.740 0.022 0.000 0.289 357 N C 0.280 175.837 175.510 0.078 0.000 1.133 357 N CA 0.511 53.648 53.050 0.144 0.000 0.961 357 N CB 1.692 40.282 38.487 0.171 0.000 1.186 357 N HN 0.832 nan 8.380 nan 0.000 0.493 358 G N 0.323 109.143 108.800 0.034 0.000 2.451 358 G HA2 -0.213 3.760 3.960 0.022 0.000 0.208 358 G HA3 -0.213 3.760 3.960 0.022 0.000 0.208 358 G C 0.273 175.031 174.900 -0.236 0.000 1.248 358 G CA -0.108 44.896 45.100 -0.160 0.000 0.989 358 G HN 0.470 nan 8.290 nan 0.000 0.559 359 M N -0.121 119.119 119.600 -0.600 0.000 2.441 359 M HA 0.391 4.885 4.480 0.022 0.000 0.244 359 M C 0.037 175.972 176.300 -0.610 0.000 1.122 359 M CA 0.573 55.487 55.300 -0.644 0.000 1.041 359 M CB 0.283 32.344 32.600 -0.897 0.000 1.438 359 M HN 0.200 nan 8.290 nan 0.000 0.484 360 F N -0.252 119.681 119.950 -0.029 0.000 2.497 360 F HA 0.532 5.072 4.527 0.022 0.000 0.331 360 F C -0.435 175.469 175.800 0.174 0.000 1.060 360 F CA -1.565 56.466 58.000 0.052 0.000 0.989 360 F CB 0.740 39.754 39.000 0.022 0.000 1.245 360 F HN -0.173 nan 8.300 nan 0.000 0.486 361 F N 2.925 123.047 119.950 0.287 0.000 2.467 361 F HA 0.677 5.217 4.527 0.021 0.000 0.336 361 F C -1.811 174.213 175.800 0.373 0.000 1.123 361 F CA -1.994 56.149 58.000 0.239 0.000 0.964 361 F CB 1.114 40.157 39.000 0.071 0.000 1.136 361 F HN 0.304 nan 8.300 nan 0.000 0.447 362 F N 4.274 123.984 119.950 -0.399 0.000 2.631 362 F HA 0.604 5.144 4.527 0.022 0.000 0.308 362 F C 0.335 176.016 175.800 -0.198 0.000 1.097 362 F CA 0.002 57.775 58.000 -0.379 0.000 0.952 362 F CB 2.382 41.285 39.000 -0.161 0.000 1.307 362 F HN 0.804 nan 8.300 nan 0.000 0.450 363 G N 2.075 110.223 108.800 -1.087 0.000 2.195 363 G HA2 -0.151 3.822 3.960 0.022 0.000 0.224 363 G HA3 -0.151 3.822 3.960 0.022 0.000 0.224 363 G C 0.746 175.595 174.900 -0.084 0.000 0.990 363 G CA 0.097 44.914 45.100 -0.471 0.000 0.639 363 G HN 1.617 nan 8.290 nan 0.000 0.514 364 G N -0.632 108.168 108.800 0.001 0.000 3.192 364 G HA2 0.559 4.532 3.960 0.022 0.000 0.239 364 G HA3 0.559 4.532 3.960 0.022 0.000 0.239 364 G C -0.008 175.062 174.900 0.282 0.000 1.084 364 G CA 0.193 45.496 45.100 0.340 0.000 0.784 364 G HN 0.436 nan 8.290 nan 0.000 0.540 365 L N 1.177 122.452 121.223 0.088 0.000 2.370 365 L HA 0.594 4.947 4.340 0.022 0.000 0.266 365 L C 0.505 177.380 176.870 0.009 0.000 1.002 365 L CA -0.774 54.124 54.840 0.096 0.000 0.818 365 L CB 2.029 44.161 42.059 0.123 0.000 1.325 365 L HN 0.088 nan 8.230 nan 0.000 0.418 366 T N -2.099 112.476 114.554 0.036 0.000 2.912 366 T HA 0.396 4.759 4.350 0.022 0.000 0.280 366 T C 0.929 175.641 174.700 0.021 0.000 0.989 366 T CA -0.391 61.720 62.100 0.018 0.000 0.995 366 T CB 1.189 70.075 68.868 0.029 0.000 1.077 366 T HN 0.621 nan 8.240 nan 0.000 0.531 367 K N 0.367 120.777 120.400 0.017 0.000 2.148 367 K HA -0.051 4.283 4.320 0.022 0.000 0.204 367 K C 1.632 178.243 176.600 0.018 0.000 1.050 367 K CA 1.484 57.781 56.287 0.017 0.000 0.942 367 K CB -0.399 32.110 32.500 0.014 0.000 0.724 367 K HN 0.605 nan 8.250 nan 0.000 0.446 368 E N 1.185 121.398 120.200 0.022 0.000 2.072 368 E HA -0.116 4.247 4.350 0.022 0.000 0.191 368 E C 2.136 178.757 176.600 0.034 0.000 0.985 368 E CA 1.503 57.916 56.400 0.023 0.000 0.801 368 E CB -0.168 29.546 29.700 0.025 0.000 0.750 368 E HN 0.488 nan 8.360 nan 0.000 0.452 369 Q N -0.044 119.784 119.800 0.047 0.000 2.084 369 Q HA -0.128 4.225 4.340 0.022 0.000 0.202 369 Q C 2.225 178.262 176.000 0.063 0.000 0.978 369 Q CA 1.445 57.289 55.803 0.067 0.000 0.844 369 Q CB -0.101 28.687 28.738 0.083 0.000 0.898 369 Q HN 0.164 nan 8.270 nan 0.000 0.426 370 V N 1.170 121.111 119.914 0.045 0.000 2.343 370 V HA -0.261 3.872 4.120 0.022 0.000 0.247 370 V C 2.200 178.292 176.094 -0.004 0.000 1.051 370 V CA 1.510 63.827 62.300 0.029 0.000 1.036 370 V CB -0.529 31.308 31.823 0.023 0.000 0.654 370 V HN 0.353 nan 8.190 nan 0.000 0.451 371 L N -0.400 120.819 121.223 -0.006 0.000 2.017 371 L HA -0.210 4.143 4.340 0.022 0.000 0.208 371 L C 2.762 179.615 176.870 -0.028 0.000 1.073 371 L CA 2.011 56.833 54.840 -0.030 0.000 0.745 371 L CB -0.591 41.459 42.059 -0.016 0.000 0.894 371 L HN 0.265 nan 8.230 nan 0.000 0.432 372 R N 0.410 120.919 120.500 0.015 0.000 2.096 372 R HA -0.158 4.195 4.340 0.022 0.000 0.235 372 R C 2.338 178.697 176.300 0.099 0.000 1.127 372 R CA 1.177 57.300 56.100 0.039 0.000 0.968 372 R CB -0.168 30.181 30.300 0.081 0.000 0.861 372 R HN 0.312 nan 8.270 nan 0.000 0.440 373 L N 0.301 121.602 121.223 0.130 0.000 2.083 373 L HA -0.189 4.165 4.340 0.022 0.000 0.209 373 L C 2.895 179.809 176.870 0.073 0.000 1.083 373 L CA 1.400 56.361 54.840 0.200 0.000 0.752 373 L CB -0.392 41.725 42.059 0.096 0.000 0.899 373 L HN 0.287 nan 8.230 nan 0.000 0.433 374 R N -0.068 120.367 120.500 -0.108 0.000 2.051 374 R HA -0.123 4.230 4.340 0.022 0.000 0.225 374 R C 2.186 178.362 176.300 -0.206 0.000 1.155 374 R CA 1.151 57.042 56.100 -0.348 0.000 0.945 374 R CB -0.056 29.935 30.300 -0.515 0.000 0.840 374 R HN 0.229 nan 8.270 nan 0.000 0.432 375 E N 0.758 120.873 120.200 -0.140 0.000 2.038 375 E HA -0.244 4.119 4.350 0.022 0.000 0.195 375 E C 1.815 178.337 176.600 -0.130 0.000 1.000 375 E CA 1.541 57.879 56.400 -0.103 0.000 0.803 375 E CB -0.245 29.406 29.700 -0.082 0.000 0.750 375 E HN 0.523 nan 8.360 nan 0.000 0.448 376 E N -1.062 119.019 120.200 -0.199 0.000 2.170 376 E HA -0.047 4.316 4.350 0.022 0.000 0.191 376 E C 1.034 177.259 176.600 -0.626 0.000 0.981 376 E CA 0.329 56.462 56.400 -0.446 0.000 0.830 376 E CB 0.193 29.508 29.700 -0.641 0.000 0.775 376 E HN 0.129 nan 8.360 nan 0.000 0.470 377 F N -1.183 118.756 119.950 -0.019 0.000 2.706 377 F HA 0.348 4.888 4.527 0.022 0.000 0.313 377 F C 1.293 177.103 175.800 0.016 0.000 1.096 377 F CA 0.402 58.401 58.000 -0.001 0.000 1.219 377 F CB 1.369 40.368 39.000 -0.002 0.000 1.051 377 F HN 0.082 nan 8.300 nan 0.000 0.568 378 G N 1.216 110.094 108.800 0.130 0.000 2.153 378 G HA2 -0.257 3.716 3.960 0.022 0.000 0.252 378 G HA3 -0.257 3.716 3.960 0.022 0.000 0.252 378 G C -0.099 174.943 174.900 0.237 0.000 0.994 378 G CA 0.258 45.466 45.100 0.180 0.000 0.698 378 G HN 0.168 nan 8.290 nan 0.000 0.521 379 V N 0.709 120.700 119.914 0.129 0.000 2.383 379 V HA 0.542 4.676 4.120 0.022 0.000 0.275 379 V C -0.087 176.013 176.094 0.010 0.000 1.036 379 V CA -0.835 61.547 62.300 0.137 0.000 0.889 379 V CB 0.934 32.815 31.823 0.097 0.000 0.985 379 V HN 0.223 nan 8.190 nan 0.000 0.459 380 Y N 3.344 123.675 120.300 0.051 0.000 2.328 380 Y HA 0.746 5.310 4.550 0.023 0.000 0.337 380 Y C 0.433 176.362 175.900 0.049 0.000 1.008 380 Y CA -0.261 57.867 58.100 0.046 0.000 1.129 380 Y CB 1.734 40.213 38.460 0.032 0.000 1.185 380 Y HN 0.770 nan 8.280 nan 0.000 0.476 381 A N 1.813 124.706 122.820 0.122 0.000 2.564 381 A HA 0.814 5.147 4.320 0.022 0.000 0.288 381 A C -1.411 176.224 177.584 0.085 0.000 1.164 381 A CA -0.845 51.259 52.037 0.111 0.000 0.712 381 A CB 0.711 19.769 19.000 0.097 0.000 1.303 381 A HN 0.388 nan 8.150 nan 0.000 0.418 382 V N 1.086 121.044 119.914 0.073 0.000 2.686 382 V HA 0.396 4.530 4.120 0.022 0.000 0.295 382 V C 1.782 177.900 176.094 0.041 0.000 1.055 382 V CA 0.444 62.772 62.300 0.046 0.000 1.050 382 V CB 0.877 32.710 31.823 0.017 0.000 0.984 382 V HN 1.382 nan 8.190 nan 0.000 0.482 383 A N 3.284 126.121 122.820 0.028 0.000 2.084 383 A HA -0.160 4.173 4.320 0.022 0.000 0.221 383 A C 2.253 179.859 177.584 0.036 0.000 1.161 383 A CA 2.090 54.142 52.037 0.024 0.000 0.653 383 A CB -0.636 18.372 19.000 0.013 0.000 0.802 383 A HN 1.130 nan 8.150 nan 0.000 0.457 384 S N -2.038 113.698 115.700 0.060 0.000 2.515 384 S HA 0.317 4.800 4.470 0.022 0.000 0.231 384 S C 1.451 176.105 174.600 0.090 0.000 0.987 384 S CA 1.146 59.417 58.200 0.119 0.000 0.936 384 S CB -0.383 62.935 63.200 0.198 0.000 0.766 384 S HN 1.964 nan 8.310 nan 0.000 0.528 385 G N 0.979 109.806 108.800 0.045 0.000 2.144 385 G HA2 -0.239 3.734 3.960 0.022 0.000 0.218 385 G HA3 -0.239 3.734 3.960 0.022 0.000 0.218 385 G C -0.008 174.888 174.900 -0.006 0.000 0.988 385 G CA -0.113 44.966 45.100 -0.036 0.000 0.659 385 G HN 0.655 nan 8.290 nan 0.000 0.522 386 R N 0.502 121.081 120.500 0.132 0.000 2.234 386 R HA 0.606 4.960 4.340 0.022 0.000 0.324 386 R C 0.039 176.425 176.300 0.143 0.000 1.054 386 R CA -0.362 55.834 56.100 0.160 0.000 0.912 386 R CB 0.135 30.436 30.300 0.001 0.000 1.030 386 R HN 0.266 nan 8.270 nan 0.000 0.455 387 L N 3.530 124.894 121.223 0.234 0.000 2.329 387 L HA 0.318 4.671 4.340 0.022 0.000 0.279 387 L C -0.105 176.962 176.870 0.329 0.000 1.014 387 L CA -1.141 53.849 54.840 0.249 0.000 0.814 387 L CB 1.696 43.907 42.059 0.255 0.000 1.257 387 L HN 0.572 nan 8.230 nan 0.000 0.424 388 N N 1.716 120.574 118.700 0.263 0.000 2.415 388 N HA 0.111 4.864 4.740 0.022 0.000 0.250 388 N C 0.613 176.114 175.510 -0.015 0.000 1.127 388 N CA -0.143 53.025 53.050 0.196 0.000 0.945 388 N CB 1.264 39.848 38.487 0.162 0.000 1.196 388 N HN 0.424 nan 8.380 nan 0.000 0.499 389 V N 3.200 123.073 119.914 -0.067 0.000 2.490 389 V HA -0.211 3.922 4.120 0.022 0.000 0.250 389 V C 2.152 178.156 176.094 -0.151 0.000 1.061 389 V CA 2.051 64.256 62.300 -0.158 0.000 1.064 389 V CB -0.998 30.753 31.823 -0.121 0.000 0.670 389 V HN 0.776 nan 8.190 nan 0.000 0.461 390 A N 0.367 123.094 122.820 -0.154 0.000 2.172 390 A HA 0.027 4.360 4.320 0.022 0.000 0.216 390 A C 2.166 179.615 177.584 -0.225 0.000 1.154 390 A CA 1.429 53.362 52.037 -0.173 0.000 0.701 390 A CB -0.612 18.308 19.000 -0.134 0.000 0.789 390 A HN 0.557 nan 8.150 nan 0.000 0.465 391 G N -1.379 107.327 108.800 -0.158 0.000 3.042 391 G HA2 0.335 4.308 3.960 0.022 0.000 0.212 391 G HA3 0.335 4.308 3.960 0.022 0.000 0.212 391 G C 0.531 175.355 174.900 -0.126 0.000 1.166 391 G CA -0.349 44.670 45.100 -0.135 0.000 0.767 391 G HN 0.443 nan 8.290 nan 0.000 0.546 392 M N 2.117 121.632 119.600 -0.142 0.000 2.216 392 M HA 0.374 4.867 4.480 0.022 0.000 0.356 392 M C 0.279 176.518 176.300 -0.103 0.000 1.205 392 M CA -0.076 55.149 55.300 -0.125 0.000 1.122 392 M CB 1.525 34.025 32.600 -0.167 0.000 1.571 392 M HN 0.109 nan 8.290 nan 0.000 0.464 393 T N -0.677 113.833 114.554 -0.073 0.000 2.916 393 T HA 0.514 4.877 4.350 0.022 0.000 0.292 393 T C -2.495 172.185 174.700 -0.034 0.000 1.064 393 T CA -1.882 60.184 62.100 -0.057 0.000 1.011 393 T CB 1.716 70.552 68.868 -0.053 0.000 1.152 393 T HN 0.285 nan 8.240 nan 0.000 0.510 394 P HA 0.029 nan 4.420 nan 0.000 0.225 394 P C 0.723 178.015 177.300 -0.013 0.000 1.148 394 P CA 0.744 63.835 63.100 -0.015 0.000 0.779 394 P CB 0.112 31.806 31.700 -0.011 0.000 0.780 395 D N -0.840 119.551 120.400 -0.015 0.000 2.183 395 D HA -0.058 4.595 4.640 0.022 0.000 0.205 395 D C 1.294 177.587 176.300 -0.010 0.000 0.962 395 D CA 1.061 55.054 54.000 -0.011 0.000 0.849 395 D CB -0.391 40.402 40.800 -0.011 0.000 0.978 395 D HN 0.317 nan 8.370 nan 0.000 0.488 396 N N 0.585 119.276 118.700 -0.015 0.000 2.280 396 N HA -0.040 4.713 4.740 0.022 0.000 0.192 396 N C 1.559 177.062 175.510 -0.012 0.000 1.109 396 N CA -0.010 53.033 53.050 -0.011 0.000 0.855 396 N CB -0.302 38.178 38.487 -0.013 0.000 0.974 396 N HN 0.022 nan 8.380 nan 0.000 0.482 397 L N 0.394 121.610 121.223 -0.012 0.000 2.093 397 L HA 0.165 4.518 4.340 0.022 0.000 0.208 397 L C 2.228 179.096 176.870 -0.003 0.000 1.085 397 L CA 1.418 56.259 54.840 0.001 0.000 0.755 397 L CB -0.921 41.143 42.059 0.008 0.000 0.904 397 L HN 0.265 nan 8.230 nan 0.000 0.435 398 A N 0.752 123.563 122.820 -0.015 0.000 1.845 398 A HA -0.081 4.252 4.320 0.022 0.000 0.215 398 A C -0.017 177.546 177.584 -0.034 0.000 1.195 398 A CA 1.825 53.846 52.037 -0.026 0.000 0.616 398 A CB -2.157 16.831 19.000 -0.020 0.000 0.832 398 A HN 0.469 nan 8.150 nan 0.000 0.443 399 P HA -0.138 nan 4.420 nan 0.000 0.218 399 P C 1.668 178.935 177.300 -0.056 0.000 1.149 399 P CA 1.201 64.286 63.100 -0.025 0.000 0.817 399 P CB -0.159 31.546 31.700 0.008 0.000 0.785 400 L N 0.481 121.682 121.223 -0.036 0.000 2.017 400 L HA -0.116 4.237 4.340 0.022 0.000 0.208 400 L C 2.439 179.268 176.870 -0.069 0.000 1.073 400 L CA 1.974 56.791 54.840 -0.037 0.000 0.745 400 L CB -1.501 40.556 42.059 -0.003 0.000 0.894 400 L HN -0.038 nan 8.230 nan 0.000 0.432 401 C N -0.027 119.238 119.300 -0.059 0.000 2.440 401 C HA -0.089 4.384 4.460 0.022 0.000 0.278 401 C C 2.535 177.418 174.990 -0.180 0.000 1.295 401 C CA 0.776 59.720 59.018 -0.124 0.000 1.738 401 C CB -0.973 26.679 27.740 -0.147 0.000 1.987 401 C HN 0.600 nan 8.230 nan 0.000 0.492 402 E N 1.234 121.336 120.200 -0.164 0.000 2.110 402 E HA -0.168 4.196 4.350 0.022 0.000 0.193 402 E C 2.355 178.752 176.600 -0.339 0.000 0.988 402 E CA 1.375 57.665 56.400 -0.183 0.000 0.804 402 E CB -0.245 29.383 29.700 -0.119 0.000 0.745 402 E HN 0.694 nan 8.360 nan 0.000 0.458 403 A N 1.279 123.803 122.820 -0.494 0.000 1.898 403 A HA -0.140 4.193 4.320 0.022 0.000 0.216 403 A C 2.178 179.367 177.584 -0.658 0.000 1.181 403 A CA 0.908 52.305 52.037 -1.068 0.000 0.620 403 A CB -0.488 17.959 19.000 -0.922 0.000 0.819 403 A HN 0.115 nan 8.150 nan 0.000 0.442 404 I N -0.304 120.066 120.570 -0.333 0.000 2.179 404 I HA -0.211 3.972 4.170 0.022 0.000 0.242 404 I C 2.317 178.342 176.117 -0.153 0.000 1.088 404 I CA 1.150 62.338 61.300 -0.186 0.000 1.357 404 I CB -0.297 37.612 38.000 -0.152 0.000 1.051 404 I HN 0.147 nan 8.210 nan 0.000 0.409 405 V N 1.230 121.038 119.914 -0.177 0.000 2.392 405 V HA -0.210 3.923 4.120 0.022 0.000 0.249 405 V C 1.646 177.703 176.094 -0.062 0.000 1.059 405 V CA 1.263 63.500 62.300 -0.105 0.000 1.051 405 V CB -1.181 30.578 31.823 -0.108 0.000 0.658 405 V HN 0.437 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.268 121.223 0.075 0.000 2.949 409 L HA 0.000 4.353 4.340 0.022 0.000 0.249 409 L CA 0.000 54.903 54.840 0.106 0.000 0.813 409 L CB 0.000 42.138 42.059 0.132 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502