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 3fj4_1_A DATA FIRST_RESID 4 DATA SEQUENCE HASAIESIET IIVDLPTIRP HKLAMHTMQN QTLVLIRLRC ADGIEGLGES DATA SEQUENCE TTIGGLAYGN ESPDSIKTNI DRFVAPLLIG QDASNINAAM LRLEQSIRGN DATA SEQUENCE TFAKSGIESA LLDAQGKRLG LPVSELLGGR VRDALPVAWT LASGDTAKDI DATA SEQUENCE AEAQKMLDLR RHRIFKLKIG AGEVDRDLAH VIAIKKALGD SASVRVDVNQ DATA SEQUENCE AWDEAVALRA CRILGGNGID LIEQPISRNN RAGMVRLNAS SPAPIMADES DATA SEQUENCE IECVEDAFNL AREGAASVFA LKIAKNGGPR ATLRTAAIAE AAGIGLYGGT DATA SEQUENCE MLEGGIGTLA SAHAFLTLNK LSWDTELFGP LLLTEDILAE PPVYRDFHLH DATA SEQUENCE VSKAPGLGLS LDEERLAFFR R 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 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.327 175.328 -0.002 0.000 0.993 4 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 4 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 5 A N 2.122 124.867 122.820 -0.125 0.000 2.024 5 A HA -0.073 4.246 4.320 -0.002 0.000 0.220 5 A C 1.281 178.993 177.584 0.213 0.000 1.164 5 A CA 1.926 53.979 52.037 0.027 0.000 0.643 5 A CB -0.132 18.811 19.000 -0.095 0.000 0.806 5 A HN 0.403 nan 8.150 nan 0.000 0.451 6 S N -0.225 115.790 115.700 0.526 0.000 2.574 6 S HA 0.530 4.999 4.470 -0.002 0.000 0.242 6 S C 0.613 175.256 174.600 0.070 0.000 0.982 6 S CA 0.032 58.345 58.200 0.189 0.000 0.977 6 S CB -0.115 63.126 63.200 0.068 0.000 0.814 6 S HN 0.729 nan 8.310 nan 0.000 0.464 7 A N 1.695 124.581 122.820 0.110 0.000 2.531 7 A HA 0.303 4.622 4.320 -0.002 0.000 0.236 7 A C 0.260 177.856 177.584 0.018 0.000 1.062 7 A CA 0.048 52.113 52.037 0.047 0.000 0.760 7 A CB -0.245 18.792 19.000 0.062 0.000 0.995 7 A HN 0.531 nan 8.150 nan 0.000 0.501 8 I N 2.121 122.691 120.570 0.000 0.000 2.471 8 I HA 0.062 4.231 4.170 -0.002 0.000 0.286 8 I C 1.002 177.121 176.117 0.004 0.000 1.079 8 I CA 0.284 61.582 61.300 -0.002 0.000 1.398 8 I CB 0.696 38.691 38.000 -0.009 0.000 1.403 8 I HN 0.876 nan 8.210 nan 0.000 0.530 9 E N 3.483 123.686 120.200 0.004 0.000 2.290 9 E HA 0.057 4.406 4.350 -0.002 0.000 0.197 9 E C 0.102 176.702 176.600 0.001 0.000 0.948 9 E CA 0.272 56.675 56.400 0.004 0.000 0.895 9 E CB 0.594 30.298 29.700 0.006 0.000 0.865 9 E HN 0.738 nan 8.360 nan 0.000 0.486 10 S N 0.113 115.813 115.700 -0.000 0.000 2.547 10 S HA 0.581 5.050 4.470 -0.002 0.000 0.270 10 S C -1.045 173.554 174.600 -0.002 0.000 1.150 10 S CA -0.917 57.282 58.200 -0.002 0.000 0.850 10 S CB 1.470 64.669 63.200 -0.001 0.000 1.118 10 S HN 0.082 nan 8.310 nan 0.000 0.461 11 I N 1.416 121.984 120.570 -0.002 0.000 2.500 11 I HA 0.444 4.613 4.170 -0.002 0.000 0.286 11 I C -0.595 175.522 176.117 -0.000 0.000 1.063 11 I CA -0.231 61.069 61.300 -0.001 0.000 1.062 11 I CB 1.921 39.922 38.000 0.001 0.000 1.223 11 I HN 0.847 nan 8.210 nan 0.000 0.435 12 E N 5.234 125.435 120.200 0.002 0.000 2.183 12 E HA 0.555 4.904 4.350 -0.002 0.000 0.271 12 E C -0.988 175.616 176.600 0.007 0.000 0.919 12 E CA -0.511 55.892 56.400 0.003 0.000 0.781 12 E CB 1.791 31.494 29.700 0.005 0.000 1.140 12 E HN 0.589 nan 8.360 nan 0.000 0.402 13 T N 2.177 116.736 114.554 0.008 0.000 2.792 13 T HA 0.615 4.963 4.350 -0.002 0.000 0.280 13 T C -0.089 174.618 174.700 0.013 0.000 0.990 13 T CA -0.737 61.370 62.100 0.012 0.000 0.960 13 T CB 0.504 69.380 68.868 0.014 0.000 0.939 13 T HN 0.359 nan 8.240 nan 0.000 0.439 14 I N 3.410 123.990 120.570 0.017 0.000 2.447 14 I HA 0.409 4.578 4.170 -0.002 0.000 0.287 14 I C -0.292 175.839 176.117 0.022 0.000 1.023 14 I CA -1.138 60.174 61.300 0.020 0.000 1.083 14 I CB 1.964 39.980 38.000 0.027 0.000 1.245 14 I HN 0.574 nan 8.210 nan 0.000 0.434 15 I N 6.652 127.234 120.570 0.019 0.000 2.371 15 I HA 0.294 4.463 4.170 -0.002 0.000 0.290 15 I C -0.417 175.716 176.117 0.027 0.000 1.028 15 I CA -0.520 60.790 61.300 0.017 0.000 1.345 15 I CB 1.142 39.147 38.000 0.009 0.000 1.407 15 I HN 0.209 nan 8.210 nan 0.000 0.501 16 V N 5.487 125.419 119.914 0.029 0.000 2.540 16 V HA 0.334 4.453 4.120 -0.002 0.000 0.302 16 V C -0.545 175.560 176.094 0.019 0.000 1.035 16 V CA -0.821 61.507 62.300 0.048 0.000 0.873 16 V CB 2.059 33.919 31.823 0.061 0.000 0.992 16 V HN 0.586 nan 8.190 nan 0.000 0.428 17 D N 5.202 125.624 120.400 0.036 0.000 2.349 17 D HA 0.587 5.226 4.640 -0.002 0.000 0.232 17 D C -0.653 175.602 176.300 -0.076 0.000 1.071 17 D CA -0.059 53.942 54.000 0.001 0.000 0.832 17 D CB 2.323 43.139 40.800 0.027 0.000 1.086 17 D HN 0.305 nan 8.370 nan 0.000 0.504 18 L N 3.409 124.532 121.223 -0.166 0.000 2.342 18 L HA 0.482 4.821 4.340 -0.002 0.000 0.271 18 L C -2.294 174.472 176.870 -0.173 0.000 1.008 18 L CA -1.977 52.655 54.840 -0.346 0.000 0.818 18 L CB 2.470 44.312 42.059 -0.362 0.000 1.296 18 L HN 0.078 nan 8.230 nan 0.000 0.427 19 P HA 0.210 nan 4.420 nan 0.000 0.282 19 P C -0.931 176.354 177.300 -0.024 0.000 1.249 19 P CA -0.267 62.814 63.100 -0.032 0.000 0.806 19 P CB 1.435 33.156 31.700 0.034 0.000 0.984 20 T N -1.586 112.975 114.554 0.010 0.000 2.949 20 T HA 0.443 4.791 4.350 -0.002 0.000 0.287 20 T C 1.537 176.270 174.700 0.055 0.000 1.034 20 T CA -0.885 61.230 62.100 0.025 0.000 1.018 20 T CB 0.789 69.668 68.868 0.019 0.000 1.135 20 T HN 0.433 nan 8.240 nan 0.000 0.532 21 I N -1.405 119.213 120.570 0.080 0.000 2.676 21 I HA 0.222 4.390 4.170 -0.002 0.000 0.259 21 I C 0.783 176.961 176.117 0.102 0.000 1.194 21 I CA -0.010 61.350 61.300 0.101 0.000 1.473 21 I CB -0.395 37.692 38.000 0.146 0.000 1.096 21 I HN 0.778 nan 8.210 nan 0.000 0.443 22 R N -0.471 120.089 120.500 0.100 0.000 2.828 22 R HA 0.494 4.832 4.340 -0.002 0.000 0.280 22 R C -3.264 173.093 176.300 0.094 0.000 1.020 22 R CA -1.428 54.729 56.100 0.095 0.000 0.855 22 R CB -0.499 29.870 30.300 0.116 0.000 1.278 22 R HN -0.292 nan 8.270 nan 0.000 0.495 23 P HA 0.053 nan 4.420 nan 0.000 0.265 23 P C -1.201 176.156 177.300 0.096 0.000 1.193 23 P CA 0.083 63.216 63.100 0.055 0.000 0.765 23 P CB 0.285 31.994 31.700 0.015 0.000 0.823 24 H N 2.626 121.678 119.070 -0.031 0.000 2.638 24 H HA 0.284 4.839 4.556 -0.002 0.000 0.303 24 H C -0.356 174.944 175.328 -0.046 0.000 1.034 24 H CA -0.491 55.537 56.048 -0.033 0.000 1.225 24 H CB 0.494 30.246 29.762 -0.017 0.000 1.394 24 H HN 0.120 nan 8.280 nan 0.000 0.477 25 K N 5.969 126.249 120.400 -0.200 0.000 2.267 25 K HA 0.228 4.546 4.320 -0.002 0.000 0.282 25 K C -0.508 176.000 176.600 -0.152 0.000 1.078 25 K CA -0.597 55.598 56.287 -0.153 0.000 0.903 25 K CB 1.109 33.533 32.500 -0.127 0.000 1.111 25 K HN 0.365 nan 8.250 nan 0.000 0.475 26 L N 1.684 122.870 121.223 -0.062 0.000 2.387 26 L HA 0.263 4.602 4.340 -0.002 0.000 0.266 26 L C 1.652 178.515 176.870 -0.012 0.000 1.059 26 L CA 0.036 54.873 54.840 -0.005 0.000 0.801 26 L CB 1.057 43.185 42.059 0.116 0.000 1.223 26 L HN 0.719 nan 8.230 nan 0.000 0.456 27 A N 2.662 125.468 122.820 -0.023 0.000 1.978 27 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 27 A C 1.593 179.173 177.584 -0.007 0.000 1.170 27 A CA 1.913 53.927 52.037 -0.038 0.000 0.636 27 A CB -0.302 18.648 19.000 -0.083 0.000 0.810 27 A HN 0.781 nan 8.150 nan 0.000 0.448 28 M N -2.324 117.293 119.600 0.028 0.000 2.313 28 M HA 0.318 4.797 4.480 -0.002 0.000 0.273 28 M C -0.029 176.359 176.300 0.147 0.000 1.049 28 M CA 0.540 55.872 55.300 0.053 0.000 1.004 28 M CB -0.871 31.742 32.600 0.021 0.000 1.461 28 M HN 0.408 nan 8.290 nan 0.000 0.514 29 H N -0.262 118.818 119.070 0.017 0.000 3.094 29 H HA 0.537 5.092 4.556 -0.002 0.000 0.335 29 H C -1.779 173.566 175.328 0.029 0.000 1.254 29 H CA -0.058 56.007 56.048 0.028 0.000 1.240 29 H CB 1.221 31.013 29.762 0.050 0.000 1.936 29 H HN 0.062 nan 8.280 nan 0.000 0.536 30 T N 5.621 119.774 114.554 -0.668 0.000 2.772 30 T HA 0.347 4.696 4.350 -0.002 0.000 0.288 30 T C 0.159 174.501 174.700 -0.596 0.000 0.994 30 T CA -0.657 61.177 62.100 -0.444 0.000 0.951 30 T CB 0.269 68.990 68.868 -0.244 0.000 0.933 30 T HN 0.422 nan 8.240 nan 0.000 0.447 31 M N 3.284 122.756 119.600 -0.213 0.000 2.185 31 M HA 0.232 4.711 4.480 -0.002 0.000 0.357 31 M C 0.961 177.261 176.300 -0.000 0.000 1.260 31 M CA -0.278 55.011 55.300 -0.019 0.000 1.124 31 M CB 1.001 33.674 32.600 0.122 0.000 1.600 31 M HN 0.435 nan 8.290 nan 0.000 0.467 32 Q N 1.745 121.557 119.800 0.020 0.000 2.246 32 Q HA 0.227 4.566 4.340 -0.002 0.000 0.222 32 Q C -0.432 175.589 176.000 0.034 0.000 0.851 32 Q CA 0.269 56.085 55.803 0.023 0.000 0.945 32 Q CB 0.555 29.304 28.738 0.017 0.000 1.122 32 Q HN 0.899 nan 8.270 nan 0.000 0.508 33 N N -0.675 118.049 118.700 0.039 0.000 3.373 33 N HA 0.143 4.882 4.740 -0.002 0.000 0.275 33 N C -1.501 174.018 175.510 0.015 0.000 1.489 33 N CA -0.441 52.621 53.050 0.021 0.000 0.872 33 N CB 1.137 39.636 38.487 0.019 0.000 1.555 33 N HN -0.163 nan 8.380 nan 0.000 0.500 34 Q N -0.491 119.300 119.800 -0.015 0.000 2.372 34 Q HA 0.663 5.002 4.340 -0.002 0.000 0.273 34 Q C -1.747 174.233 176.000 -0.033 0.000 1.078 34 Q CA -0.183 55.606 55.803 -0.024 0.000 0.806 34 Q CB 2.028 30.738 28.738 -0.046 0.000 1.332 34 Q HN 0.656 nan 8.270 nan 0.000 0.435 35 T N 3.932 118.472 114.554 -0.023 0.000 2.824 35 T HA 0.674 5.023 4.350 -0.002 0.000 0.282 35 T C -0.700 173.989 174.700 -0.018 0.000 0.993 35 T CA -0.515 61.573 62.100 -0.020 0.000 0.967 35 T CB 0.392 69.252 68.868 -0.012 0.000 0.960 35 T HN 0.505 nan 8.240 nan 0.000 0.441 36 L N 1.983 123.197 121.223 -0.014 0.000 2.303 36 L HA 0.835 5.174 4.340 -0.002 0.000 0.266 36 L C -0.710 176.165 176.870 0.008 0.000 1.011 36 L CA -1.420 53.418 54.840 -0.004 0.000 0.818 36 L CB 1.800 43.853 42.059 -0.009 0.000 1.326 36 L HN 0.270 nan 8.230 nan 0.000 0.435 37 V N 2.532 122.456 119.914 0.017 0.000 2.376 37 V HA 0.308 4.427 4.120 -0.002 0.000 0.287 37 V C -0.324 175.782 176.094 0.020 0.000 1.015 37 V CA -0.430 61.882 62.300 0.020 0.000 0.834 37 V CB 1.703 33.542 31.823 0.027 0.000 1.001 37 V HN 0.432 nan 8.190 nan 0.000 0.428 38 L N 6.841 128.076 121.223 0.020 0.000 2.326 38 L HA 0.597 4.936 4.340 -0.002 0.000 0.278 38 L C -0.395 176.484 176.870 0.015 0.000 1.092 38 L CA 0.428 55.278 54.840 0.018 0.000 0.810 38 L CB 0.865 42.938 42.059 0.024 0.000 1.153 38 L HN 0.515 nan 8.230 nan 0.000 0.439 39 I N 5.616 126.192 120.570 0.010 0.000 2.389 39 I HA 0.431 4.600 4.170 -0.002 0.000 0.288 39 I C -0.293 175.826 176.117 0.003 0.000 0.999 39 I CA -0.617 60.687 61.300 0.007 0.000 1.129 39 I CB 1.134 39.137 38.000 0.005 0.000 1.288 39 I HN 0.557 nan 8.210 nan 0.000 0.444 40 R N 6.825 127.328 120.500 0.005 0.000 2.320 40 R HA 0.529 4.868 4.340 -0.002 0.000 0.319 40 R C -1.058 175.242 176.300 -0.000 0.000 0.969 40 R CA -0.677 55.424 56.100 0.003 0.000 0.857 40 R CB 2.022 32.326 30.300 0.007 0.000 1.160 40 R HN 0.513 nan 8.270 nan 0.000 0.491 41 L N 4.088 125.309 121.223 -0.004 0.000 2.298 41 L HA 0.469 4.808 4.340 -0.002 0.000 0.284 41 L C -0.575 176.291 176.870 -0.006 0.000 1.013 41 L CA -0.599 54.238 54.840 -0.006 0.000 0.824 41 L CB 0.774 42.827 42.059 -0.010 0.000 1.221 41 L HN 0.474 nan 8.230 nan 0.000 0.418 42 R N 4.024 124.523 120.500 -0.003 0.000 2.460 42 R HA 0.565 4.904 4.340 -0.002 0.000 0.303 42 R C -0.995 175.305 176.300 0.001 0.000 0.968 42 R CA -0.663 55.437 56.100 -0.001 0.000 0.889 42 R CB 1.554 31.854 30.300 0.001 0.000 1.123 42 R HN 0.586 nan 8.270 nan 0.000 0.455 43 C N 0.832 120.134 119.300 0.003 0.000 2.401 43 C HA 0.439 4.898 4.460 -0.002 0.000 0.356 43 C C 1.936 176.936 174.990 0.016 0.000 1.192 43 C CA -0.594 58.429 59.018 0.008 0.000 2.028 43 C CB 1.355 29.099 27.740 0.007 0.000 2.344 43 C HN 0.987 nan 8.230 nan 0.000 0.525 44 A N 0.944 123.780 122.820 0.026 0.000 2.070 44 A HA -0.138 4.181 4.320 -0.002 0.000 0.220 44 A C 1.392 178.992 177.584 0.026 0.000 1.159 44 A CA 2.059 54.112 52.037 0.028 0.000 0.656 44 A CB -0.515 18.509 19.000 0.040 0.000 0.800 44 A HN 0.967 nan 8.150 nan 0.000 0.453 45 D N -1.992 118.427 120.400 0.031 0.000 2.325 45 D HA 0.305 4.944 4.640 -0.002 0.000 0.234 45 D C 1.077 177.386 176.300 0.015 0.000 1.122 45 D CA 0.560 54.575 54.000 0.025 0.000 0.850 45 D CB -0.773 40.048 40.800 0.035 0.000 0.921 45 D HN 0.649 nan 8.370 nan 0.000 0.513 46 G N 0.255 109.063 108.800 0.012 0.000 2.162 46 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.260 46 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.260 46 G C 0.098 175.002 174.900 0.005 0.000 0.976 46 G CA 0.169 45.274 45.100 0.008 0.000 0.655 46 G HN 0.466 nan 8.290 nan 0.000 0.533 47 I N 0.660 121.233 120.570 0.006 0.000 2.385 47 I HA 0.458 4.627 4.170 -0.002 0.000 0.294 47 I C 0.373 176.488 176.117 -0.002 0.000 0.988 47 I CA -0.599 60.702 61.300 0.001 0.000 1.265 47 I CB 1.679 39.679 38.000 -0.001 0.000 1.388 47 I HN 0.222 nan 8.210 nan 0.000 0.480 48 E N 4.383 124.580 120.200 -0.005 0.000 2.183 48 E HA 0.605 4.954 4.350 -0.002 0.000 0.271 48 E C -0.690 175.903 176.600 -0.012 0.000 0.919 48 E CA -0.679 55.717 56.400 -0.006 0.000 0.781 48 E CB 1.858 31.557 29.700 -0.002 0.000 1.140 48 E HN 0.766 nan 8.360 nan 0.000 0.402 49 G N 3.886 112.677 108.800 -0.016 0.000 2.416 49 G HA2 0.559 4.518 3.960 -0.002 0.000 0.329 49 G HA3 0.559 4.518 3.960 -0.002 0.000 0.329 49 G C -0.987 173.901 174.900 -0.021 0.000 1.173 49 G CA -0.628 44.458 45.100 -0.024 0.000 0.929 49 G HN 0.464 nan 8.290 nan 0.000 0.475 50 L N 1.318 122.525 121.223 -0.026 0.000 2.346 50 L HA 0.808 5.147 4.340 -0.002 0.000 0.276 50 L C 0.619 177.472 176.870 -0.028 0.000 1.006 50 L CA -0.729 54.100 54.840 -0.020 0.000 0.817 50 L CB 2.251 44.301 42.059 -0.013 0.000 1.272 50 L HN 0.698 nan 8.230 nan 0.000 0.421 51 G N 1.181 109.969 108.800 -0.020 0.000 2.680 51 G HA2 0.616 4.574 3.960 -0.002 0.000 0.290 51 G HA3 0.616 4.574 3.960 -0.002 0.000 0.290 51 G C -1.990 172.901 174.900 -0.015 0.000 1.355 51 G CA -0.263 44.822 45.100 -0.025 0.000 0.903 51 G HN 0.526 nan 8.290 nan 0.000 0.474 52 E N -0.342 119.847 120.200 -0.019 0.000 2.290 52 E HA 0.555 4.903 4.350 -0.002 0.000 0.274 52 E C -1.373 175.227 176.600 -0.001 0.000 0.889 52 E CA -0.603 55.792 56.400 -0.008 0.000 0.760 52 E CB 1.848 31.539 29.700 -0.015 0.000 1.206 52 E HN 0.285 nan 8.360 nan 0.000 0.419 53 S N 2.406 118.125 115.700 0.030 0.000 2.640 53 S HA 0.484 4.953 4.470 -0.002 0.000 0.320 53 S C -0.982 173.683 174.600 0.108 0.000 1.097 53 S CA -0.514 57.736 58.200 0.083 0.000 1.092 53 S CB 1.738 65.003 63.200 0.109 0.000 0.988 53 S HN 0.452 nan 8.310 nan 0.000 0.470 54 T N 2.026 116.665 114.554 0.141 0.000 2.900 54 T HA 0.692 5.040 4.350 -0.002 0.000 0.295 54 T C -0.030 174.800 174.700 0.217 0.000 1.044 54 T CA -0.498 61.667 62.100 0.110 0.000 0.995 54 T CB 2.201 71.082 68.868 0.022 0.000 1.072 54 T HN 0.500 nan 8.240 nan 0.000 0.473 55 T N 1.045 115.653 114.554 0.090 0.000 2.573 55 T HA 0.826 5.175 4.350 -0.002 0.000 0.259 55 T C -1.436 173.221 174.700 -0.071 0.000 0.886 55 T CA -0.644 61.480 62.100 0.040 0.000 1.110 55 T CB 0.722 69.449 68.868 -0.234 0.000 1.421 55 T HN 0.486 nan 8.240 nan 0.000 0.523 56 I N 0.647 121.143 120.570 -0.124 0.000 2.533 56 I HA 0.511 4.680 4.170 -0.002 0.000 0.290 56 I C 0.818 176.888 176.117 -0.077 0.000 1.056 56 I CA -0.512 60.742 61.300 -0.077 0.000 1.057 56 I CB 1.965 39.899 38.000 -0.109 0.000 1.240 56 I HN 0.965 nan 8.210 nan 0.000 0.423 57 G N 4.244 112.968 108.800 -0.126 0.000 2.305 57 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.287 57 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.287 57 G C 0.887 175.573 174.900 -0.356 0.000 1.036 57 G CA 0.723 45.513 45.100 -0.517 0.000 0.887 57 G HN 1.558 nan 8.290 nan 0.000 0.505 58 G N -0.754 107.939 108.800 -0.178 0.000 3.274 58 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.313 58 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.313 58 G C 0.916 175.734 174.900 -0.137 0.000 1.295 58 G CA 0.806 45.825 45.100 -0.135 0.000 1.004 58 G HN 1.361 nan 8.290 nan 0.000 0.614 59 L N 1.601 122.748 121.223 -0.128 0.000 3.016 59 L HA 0.529 4.868 4.340 -0.002 0.000 0.267 59 L C 2.640 179.455 176.870 -0.092 0.000 1.182 59 L CA 0.786 55.563 54.840 -0.106 0.000 0.997 59 L CB 0.516 42.524 42.059 -0.085 0.000 1.354 59 L HN 0.623 nan 8.230 nan 0.000 0.569 60 A N -0.535 122.212 122.820 -0.121 0.000 2.066 60 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 60 A C 1.867 179.434 177.584 -0.027 0.000 1.157 60 A CA 1.276 53.256 52.037 -0.096 0.000 0.670 60 A CB -0.223 18.666 19.000 -0.185 0.000 0.804 60 A HN 0.499 nan 8.150 nan 0.000 0.453 61 Y N -1.135 119.093 120.300 -0.119 0.000 2.422 61 Y HA 0.425 4.974 4.550 -0.002 0.000 0.291 61 Y C 1.248 177.108 175.900 -0.066 0.000 1.144 61 Y CA 0.569 58.630 58.100 -0.065 0.000 1.208 61 Y CB 0.280 38.720 38.460 -0.034 0.000 1.195 61 Y HN 0.309 nan 8.280 nan 0.000 0.535 62 G N -0.442 108.424 108.800 0.109 0.000 2.798 62 G HA2 0.176 4.134 3.960 -0.002 0.000 0.286 62 G HA3 0.176 4.134 3.960 -0.002 0.000 0.286 62 G C -0.680 174.152 174.900 -0.113 0.000 1.389 62 G CA -0.429 44.668 45.100 -0.006 0.000 0.894 62 G HN 0.269 nan 8.290 nan 0.000 0.488 63 N N -1.035 117.599 118.700 -0.110 0.000 2.515 63 N HA 0.009 4.748 4.740 -0.002 0.000 0.185 63 N C 0.211 175.636 175.510 -0.142 0.000 1.109 63 N CA 0.466 53.455 53.050 -0.103 0.000 0.903 63 N CB 0.377 38.828 38.487 -0.060 0.000 0.969 63 N HN 0.555 nan 8.380 nan 0.000 0.450 64 E N 0.234 120.280 120.200 -0.256 0.000 2.151 64 E HA 0.326 4.675 4.350 -0.002 0.000 0.275 64 E C -0.623 175.802 176.600 -0.292 0.000 0.936 64 E CA -0.751 55.489 56.400 -0.266 0.000 0.777 64 E CB 1.369 30.870 29.700 -0.331 0.000 1.108 64 E HN 0.355 nan 8.360 nan 0.000 0.401 65 S N 1.949 117.547 115.700 -0.170 0.000 2.681 65 S HA 0.387 4.856 4.470 -0.002 0.000 0.299 65 S C -2.117 172.424 174.600 -0.098 0.000 1.113 65 S CA -1.518 56.599 58.200 -0.138 0.000 1.013 65 S CB 1.815 64.960 63.200 -0.091 0.000 1.076 65 S HN 0.140 nan 8.310 nan 0.000 0.534 66 P HA -0.085 nan 4.420 nan 0.000 0.216 66 P C 0.287 177.573 177.300 -0.022 0.000 1.150 66 P CA 1.443 64.522 63.100 -0.035 0.000 0.837 66 P CB -0.158 31.527 31.700 -0.026 0.000 0.786 67 D N -0.847 119.538 120.400 -0.026 0.000 2.084 67 D HA -0.153 4.486 4.640 -0.002 0.000 0.194 67 D C 2.096 178.391 176.300 -0.008 0.000 0.990 67 D CA 1.906 55.897 54.000 -0.015 0.000 0.826 67 D CB -0.741 40.048 40.800 -0.018 0.000 0.971 67 D HN 0.204 nan 8.370 nan 0.000 0.453 68 S N 0.058 115.747 115.700 -0.018 0.000 2.428 68 S HA -0.066 4.402 4.470 -0.002 0.000 0.230 68 S C 2.038 176.645 174.600 0.012 0.000 1.014 68 S CA 0.311 58.509 58.200 -0.003 0.000 0.957 68 S CB -0.530 62.659 63.200 -0.019 0.000 0.784 68 S HN 0.235 nan 8.310 nan 0.000 0.499 69 I N 1.840 122.411 120.570 0.001 0.000 2.252 69 I HA -0.163 4.006 4.170 -0.002 0.000 0.245 69 I C 2.770 178.909 176.117 0.037 0.000 1.102 69 I CA 1.633 62.948 61.300 0.025 0.000 1.385 69 I CB -0.278 37.737 38.000 0.026 0.000 1.064 69 I HN 0.356 nan 8.210 nan 0.000 0.414 70 K N 0.619 121.033 120.400 0.024 0.000 2.057 70 K HA -0.171 4.147 4.320 -0.002 0.000 0.207 70 K C 2.054 178.670 176.600 0.027 0.000 1.049 70 K CA 1.934 58.235 56.287 0.023 0.000 0.931 70 K CB -0.100 32.407 32.500 0.012 0.000 0.714 70 K HN 0.177 nan 8.250 nan 0.000 0.440 71 T N 0.906 115.479 114.554 0.032 0.000 2.652 71 T HA -0.127 4.222 4.350 -0.002 0.000 0.267 71 T C 1.509 176.261 174.700 0.087 0.000 1.039 71 T CA 1.909 64.035 62.100 0.042 0.000 1.153 71 T CB -0.405 68.492 68.868 0.049 0.000 0.863 71 T HN 0.435 nan 8.240 nan 0.000 0.428 72 N N 0.262 119.042 118.700 0.134 0.000 2.244 72 N HA 0.065 4.804 4.740 -0.002 0.000 0.183 72 N C 1.868 177.500 175.510 0.203 0.000 1.016 72 N CA 0.671 53.871 53.050 0.250 0.000 0.866 72 N CB -0.125 38.465 38.487 0.171 0.000 0.980 72 N HN 0.313 nan 8.380 nan 0.000 0.430 73 I N 1.138 121.772 120.570 0.107 0.000 2.202 73 I HA -0.222 3.946 4.170 -0.002 0.000 0.242 73 I C 1.515 177.657 176.117 0.041 0.000 1.091 73 I CA 1.082 62.428 61.300 0.077 0.000 1.368 73 I CB -0.228 37.801 38.000 0.050 0.000 1.058 73 I HN 0.081 nan 8.210 nan 0.000 0.410 74 D N 0.497 120.905 120.400 0.013 0.000 2.117 74 D HA -0.211 4.428 4.640 -0.002 0.000 0.197 74 D C 2.231 178.474 176.300 -0.094 0.000 0.987 74 D CA 1.257 55.239 54.000 -0.029 0.000 0.829 74 D CB -0.216 40.565 40.800 -0.031 0.000 0.961 74 D HN 0.121 nan 8.370 nan 0.000 0.460 75 R N -1.022 119.385 120.500 -0.155 0.000 2.161 75 R HA 0.067 4.406 4.340 -0.002 0.000 0.213 75 R C 1.289 177.151 176.300 -0.730 0.000 1.055 75 R CA 0.935 56.763 56.100 -0.455 0.000 0.996 75 R CB -0.039 29.911 30.300 -0.583 0.000 0.901 75 R HN 0.139 nan 8.270 nan 0.000 0.456 76 F N -2.692 117.259 119.950 0.001 0.000 2.640 76 F HA 0.224 4.749 4.527 -0.002 0.000 0.285 76 F C 1.759 177.560 175.800 0.002 0.000 1.031 76 F CA -0.051 57.950 58.000 0.001 0.000 1.240 76 F CB 0.020 39.022 39.000 0.002 0.000 1.011 76 F HN -0.262 nan 8.300 nan 0.000 0.656 77 V N 0.338 120.353 119.914 0.169 0.000 2.323 77 V HA -0.170 3.949 4.120 -0.002 0.000 0.244 77 V C 2.583 178.707 176.094 0.050 0.000 1.041 77 V CA 1.806 64.164 62.300 0.097 0.000 1.025 77 V CB -1.173 30.696 31.823 0.077 0.000 0.656 77 V HN 0.296 nan 8.190 nan 0.000 0.451 78 A N 0.830 123.666 122.820 0.026 0.000 1.859 78 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 78 A C 0.581 178.165 177.584 0.000 0.000 1.198 78 A CA 2.416 54.455 52.037 0.004 0.000 0.629 78 A CB -2.085 16.907 19.000 -0.013 0.000 0.830 78 A HN 0.520 nan 8.150 nan 0.000 0.446 79 P HA -0.141 nan 4.420 nan 0.000 0.216 79 P C 1.436 178.743 177.300 0.012 0.000 1.150 79 P CA 0.921 64.016 63.100 -0.009 0.000 0.843 79 P CB -0.109 31.575 31.700 -0.028 0.000 0.787 80 L N -1.910 119.331 121.223 0.029 0.000 2.156 80 L HA -0.088 4.251 4.340 -0.002 0.000 0.208 80 L C 2.195 179.076 176.870 0.018 0.000 1.095 80 L CA 1.147 56.006 54.840 0.032 0.000 0.770 80 L CB -0.446 41.642 42.059 0.047 0.000 0.914 80 L HN 0.004 nan 8.230 nan 0.000 0.439 81 L N -0.958 120.273 121.223 0.014 0.000 2.408 81 L HA 0.108 4.447 4.340 -0.002 0.000 0.215 81 L C 0.936 177.806 176.870 0.001 0.000 1.081 81 L CA -0.129 54.714 54.840 0.005 0.000 0.840 81 L CB 0.255 42.316 42.059 0.004 0.000 1.002 81 L HN 0.066 nan 8.230 nan 0.000 0.468 82 I N 1.173 121.744 120.570 0.001 0.000 2.662 82 I HA -0.024 4.145 4.170 -0.002 0.000 0.285 82 I C 1.313 177.431 176.117 0.003 0.000 1.161 82 I CA 1.074 62.374 61.300 0.000 0.000 1.415 82 I CB 0.282 38.281 38.000 -0.002 0.000 1.385 82 I HN 0.395 nan 8.210 nan 0.000 0.552 83 G N 4.166 112.968 108.800 0.005 0.000 2.238 83 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.217 83 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.217 83 G C 0.256 175.162 174.900 0.010 0.000 0.996 83 G CA -0.601 44.505 45.100 0.010 0.000 0.632 83 G HN 0.505 nan 8.290 nan 0.000 0.503 84 Q N 1.011 120.810 119.800 -0.001 0.000 2.306 84 Q HA 0.397 4.736 4.340 -0.002 0.000 0.241 84 Q C -0.373 175.603 176.000 -0.040 0.000 0.948 84 Q CA -0.382 55.413 55.803 -0.014 0.000 0.886 84 Q CB 1.150 29.877 28.738 -0.018 0.000 1.227 84 Q HN 0.382 nan 8.270 nan 0.000 0.457 85 D N 0.295 120.645 120.400 -0.082 0.000 2.382 85 D HA 0.129 4.768 4.640 -0.002 0.000 0.259 85 D C 0.439 176.628 176.300 -0.184 0.000 1.224 85 D CA 0.128 54.000 54.000 -0.214 0.000 0.894 85 D CB 0.781 41.355 40.800 -0.377 0.000 1.127 85 D HN 0.536 nan 8.370 nan 0.000 0.487 86 A N 3.106 125.835 122.820 -0.152 0.000 2.119 86 A HA -0.089 4.230 4.320 -0.002 0.000 0.217 86 A C 1.993 179.510 177.584 -0.111 0.000 1.153 86 A CA 1.225 53.202 52.037 -0.099 0.000 0.692 86 A CB -0.400 18.565 19.000 -0.058 0.000 0.799 86 A HN 0.596 nan 8.150 nan 0.000 0.458 87 S N -0.417 115.177 115.700 -0.175 0.000 2.561 87 S HA 0.003 4.472 4.470 -0.002 0.000 0.225 87 S C 0.680 175.215 174.600 -0.108 0.000 0.977 87 S CA 0.409 58.531 58.200 -0.129 0.000 0.926 87 S CB -0.266 62.855 63.200 -0.131 0.000 0.769 87 S HN 0.431 nan 8.310 nan 0.000 0.533 88 N N 1.195 119.822 118.700 -0.123 0.000 2.936 88 N HA 0.367 5.106 4.740 -0.002 0.000 0.243 88 N C 0.458 175.933 175.510 -0.059 0.000 1.149 88 N CA -0.356 52.646 53.050 -0.079 0.000 0.914 88 N CB 0.209 38.648 38.487 -0.080 0.000 1.179 88 N HN 0.311 nan 8.380 nan 0.000 0.502 89 I N 1.197 121.739 120.570 -0.047 0.000 2.226 89 I HA -0.254 3.914 4.170 -0.002 0.000 0.245 89 I C 2.089 178.189 176.117 -0.028 0.000 1.100 89 I CA 0.744 62.021 61.300 -0.038 0.000 1.374 89 I CB -0.129 37.850 38.000 -0.035 0.000 1.057 89 I HN 0.411 nan 8.210 nan 0.000 0.413 90 N N 1.506 120.192 118.700 -0.024 0.000 2.069 90 N HA -0.188 4.551 4.740 -0.002 0.000 0.191 90 N C 1.834 177.334 175.510 -0.016 0.000 1.031 90 N CA 1.980 55.020 53.050 -0.017 0.000 0.852 90 N CB -0.152 38.327 38.487 -0.013 0.000 1.018 90 N HN 0.321 nan 8.380 nan 0.000 0.423 91 A N 0.077 122.885 122.820 -0.020 0.000 1.933 91 A HA 0.067 4.386 4.320 -0.002 0.000 0.218 91 A C 2.338 179.912 177.584 -0.017 0.000 1.175 91 A CA 1.916 53.943 52.037 -0.018 0.000 0.628 91 A CB -1.188 17.799 19.000 -0.021 0.000 0.814 91 A HN 0.474 nan 8.150 nan 0.000 0.444 92 A N -0.917 121.890 122.820 -0.023 0.000 1.898 92 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 92 A C 2.137 179.714 177.584 -0.011 0.000 1.181 92 A CA 1.898 53.924 52.037 -0.019 0.000 0.620 92 A CB -0.433 18.551 19.000 -0.027 0.000 0.819 92 A HN 0.411 nan 8.150 nan 0.000 0.442 93 M N -0.413 119.180 119.600 -0.012 0.000 2.229 93 M HA 0.045 4.524 4.480 -0.002 0.000 0.264 93 M C 2.048 178.346 176.300 -0.004 0.000 1.063 93 M CA 1.058 56.353 55.300 -0.007 0.000 1.114 93 M CB -1.338 31.256 32.600 -0.010 0.000 1.387 93 M HN 0.367 nan 8.290 nan 0.000 0.420 94 L N -0.871 120.348 121.223 -0.005 0.000 2.156 94 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 94 L C 2.708 179.578 176.870 -0.001 0.000 1.095 94 L CA 0.837 55.675 54.840 -0.003 0.000 0.770 94 L CB -0.571 41.485 42.059 -0.005 0.000 0.914 94 L HN 0.299 nan 8.230 nan 0.000 0.439 95 R N 0.620 121.120 120.500 -0.000 0.000 2.096 95 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 95 R C 2.272 178.577 176.300 0.009 0.000 1.127 95 R CA 1.266 57.368 56.100 0.004 0.000 0.968 95 R CB -0.110 30.191 30.300 0.003 0.000 0.861 95 R HN 0.316 nan 8.270 nan 0.000 0.440 96 L N 0.254 121.482 121.223 0.009 0.000 2.027 96 L HA -0.132 4.207 4.340 -0.002 0.000 0.206 96 L C 2.455 179.331 176.870 0.009 0.000 1.074 96 L CA 1.269 56.118 54.840 0.015 0.000 0.745 96 L CB -0.477 41.591 42.059 0.016 0.000 0.898 96 L HN 0.204 nan 8.230 nan 0.000 0.433 97 E N 0.672 120.874 120.200 0.004 0.000 2.160 97 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 97 E C 2.117 178.716 176.600 -0.002 0.000 0.991 97 E CA 1.428 57.829 56.400 0.001 0.000 0.810 97 E CB -0.069 29.631 29.700 -0.000 0.000 0.742 97 E HN 0.616 nan 8.360 nan 0.000 0.466 98 Q N -1.507 118.293 119.800 -0.001 0.000 2.378 98 Q HA 0.092 4.431 4.340 -0.002 0.000 0.205 98 Q C 1.385 177.383 176.000 -0.003 0.000 0.954 98 Q CA 1.315 57.117 55.803 -0.002 0.000 0.901 98 Q CB 0.296 29.034 28.738 0.000 0.000 0.981 98 Q HN -0.004 nan 8.270 nan 0.000 0.483 99 S N -0.123 115.577 115.700 -0.001 0.000 2.559 99 S HA 0.373 4.842 4.470 -0.002 0.000 0.226 99 S C 0.148 174.733 174.600 -0.025 0.000 1.030 99 S CA -0.394 57.804 58.200 -0.003 0.000 0.956 99 S CB 0.684 63.895 63.200 0.019 0.000 0.900 99 S HN 0.249 nan 8.310 nan 0.000 0.510 100 I N 2.826 123.383 120.570 -0.023 0.000 2.439 100 I HA 0.400 4.568 4.170 -0.002 0.000 0.285 100 I C -0.634 175.461 176.117 -0.037 0.000 1.021 100 I CA -0.707 60.566 61.300 -0.044 0.000 1.091 100 I CB 1.368 39.358 38.000 -0.017 0.000 1.242 100 I HN -0.136 nan 8.210 nan 0.000 0.439 101 R N 4.117 124.584 120.500 -0.055 0.000 2.357 101 R HA 0.579 4.918 4.340 -0.002 0.000 0.296 101 R C 0.702 176.987 176.300 -0.026 0.000 1.052 101 R CA 0.189 56.268 56.100 -0.036 0.000 0.988 101 R CB 1.198 31.472 30.300 -0.043 0.000 1.025 101 R HN 0.913 nan 8.270 nan 0.000 0.469 102 G N 2.922 111.719 108.800 -0.004 0.000 2.574 102 G HA2 -0.405 3.554 3.960 -0.002 0.000 0.286 102 G HA3 -0.405 3.554 3.960 -0.002 0.000 0.286 102 G C -0.133 174.786 174.900 0.032 0.000 1.212 102 G CA 0.313 45.423 45.100 0.016 0.000 0.979 102 G HN 0.814 nan 8.290 nan 0.000 0.557 103 N N 0.011 118.740 118.700 0.049 0.000 2.727 103 N HA -0.253 4.486 4.740 -0.002 0.000 0.249 103 N C 1.564 177.141 175.510 0.112 0.000 1.048 103 N CA 1.948 55.043 53.050 0.075 0.000 0.714 103 N CB -1.302 37.209 38.487 0.041 0.000 0.959 103 N HN 1.522 nan 8.380 nan 0.000 0.544 104 T N -3.492 111.150 114.554 0.146 0.000 2.867 104 T HA -0.099 4.250 4.350 -0.002 0.000 0.268 104 T C 1.573 176.335 174.700 0.103 0.000 1.057 104 T CA 0.865 63.025 62.100 0.101 0.000 1.136 104 T CB -0.287 68.618 68.868 0.062 0.000 0.874 104 T HN 0.213 nan 8.240 nan 0.000 0.466 105 F N 2.471 122.421 119.950 -0.001 0.000 2.102 105 F HA 0.171 4.697 4.527 -0.002 0.000 0.298 105 F C 2.990 178.786 175.800 -0.008 0.000 1.105 105 F CA 0.752 58.748 58.000 -0.007 0.000 1.239 105 F CB -1.089 37.906 39.000 -0.008 0.000 0.991 105 F HN 0.277 nan 8.300 nan 0.000 0.474 106 A N -0.043 122.897 122.820 0.201 0.000 1.877 106 A HA -0.213 4.106 4.320 -0.002 0.000 0.216 106 A C 2.217 179.840 177.584 0.064 0.000 1.186 106 A CA 1.782 53.885 52.037 0.109 0.000 0.620 106 A CB -0.671 18.384 19.000 0.091 0.000 0.822 106 A HN 0.337 nan 8.150 nan 0.000 0.443 107 K N -0.363 120.070 120.400 0.054 0.000 2.097 107 K HA -0.117 4.202 4.320 -0.002 0.000 0.206 107 K C 2.420 179.019 176.600 -0.001 0.000 1.049 107 K CA 1.348 57.649 56.287 0.023 0.000 0.933 107 K CB -0.224 32.287 32.500 0.018 0.000 0.717 107 K HN 0.448 nan 8.250 nan 0.000 0.442 108 S N 0.240 115.930 115.700 -0.017 0.000 2.368 108 S HA -0.119 4.350 4.470 -0.002 0.000 0.225 108 S C 2.093 176.668 174.600 -0.042 0.000 1.030 108 S CA 1.544 59.711 58.200 -0.055 0.000 0.999 108 S CB -0.493 62.637 63.200 -0.117 0.000 0.844 108 S HN 0.489 nan 8.310 nan 0.000 0.459 109 G N 1.781 110.572 108.800 -0.015 0.000 2.418 109 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.217 109 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.217 109 G C 1.405 176.298 174.900 -0.013 0.000 1.158 109 G CA 0.842 45.936 45.100 -0.010 0.000 0.771 109 G HN 0.489 nan 8.290 nan 0.000 0.545 110 I N 0.985 121.553 120.570 -0.004 0.000 2.179 110 I HA -0.120 4.049 4.170 -0.002 0.000 0.242 110 I C 2.511 178.617 176.117 -0.019 0.000 1.088 110 I CA 1.341 62.638 61.300 -0.006 0.000 1.357 110 I CB -1.048 36.955 38.000 0.004 0.000 1.051 110 I HN 0.342 nan 8.210 nan 0.000 0.409 111 E N 0.658 120.843 120.200 -0.025 0.000 2.110 111 E HA -0.166 4.183 4.350 -0.002 0.000 0.193 111 E C 2.278 178.850 176.600 -0.047 0.000 0.988 111 E CA 1.313 57.692 56.400 -0.034 0.000 0.804 111 E CB 0.237 29.916 29.700 -0.035 0.000 0.745 111 E HN 0.342 nan 8.360 nan 0.000 0.458 112 S N 0.364 116.032 115.700 -0.053 0.000 2.368 112 S HA -0.165 4.304 4.470 -0.002 0.000 0.225 112 S C 2.010 176.572 174.600 -0.062 0.000 1.030 112 S CA 0.994 59.154 58.200 -0.067 0.000 0.999 112 S CB -0.192 62.967 63.200 -0.069 0.000 0.844 112 S HN 0.458 nan 8.310 nan 0.000 0.459 113 A N 1.438 124.231 122.820 -0.045 0.000 1.902 113 A HA 0.002 4.321 4.320 -0.002 0.000 0.217 113 A C 2.124 179.683 177.584 -0.042 0.000 1.181 113 A CA 1.138 53.152 52.037 -0.038 0.000 0.623 113 A CB -0.745 18.240 19.000 -0.024 0.000 0.818 113 A HN 0.444 nan 8.150 nan 0.000 0.443 114 L N -0.723 120.476 121.223 -0.040 0.000 2.083 114 L HA -0.179 4.159 4.340 -0.002 0.000 0.209 114 L C 2.565 179.405 176.870 -0.050 0.000 1.083 114 L CA 1.021 55.837 54.840 -0.041 0.000 0.752 114 L CB -0.482 41.554 42.059 -0.038 0.000 0.899 114 L HN 0.377 nan 8.230 nan 0.000 0.433 115 L N -0.518 120.669 121.223 -0.060 0.000 2.056 115 L HA -0.231 4.108 4.340 -0.002 0.000 0.207 115 L C 2.268 179.084 176.870 -0.089 0.000 1.078 115 L CA 1.278 56.074 54.840 -0.074 0.000 0.749 115 L CB -0.494 41.512 42.059 -0.087 0.000 0.901 115 L HN 0.286 nan 8.230 nan 0.000 0.433 116 D N 0.077 120.421 120.400 -0.093 0.000 2.097 116 D HA -0.195 4.444 4.640 -0.002 0.000 0.195 116 D C 2.139 178.399 176.300 -0.067 0.000 0.989 116 D CA 1.508 55.450 54.000 -0.096 0.000 0.827 116 D CB 0.136 40.887 40.800 -0.081 0.000 0.966 116 D HN 0.245 nan 8.370 nan 0.000 0.456 117 A N -0.148 122.642 122.820 -0.050 0.000 1.902 117 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 117 A C 2.208 179.772 177.584 -0.034 0.000 1.181 117 A CA 1.946 53.961 52.037 -0.036 0.000 0.623 117 A CB -0.908 18.074 19.000 -0.029 0.000 0.818 117 A HN 0.317 nan 8.150 nan 0.000 0.443 118 Q N -0.010 119.767 119.800 -0.040 0.000 2.167 118 Q HA -0.008 4.330 4.340 -0.002 0.000 0.202 118 Q C 1.846 177.826 176.000 -0.033 0.000 0.970 118 Q CA 1.904 57.687 55.803 -0.034 0.000 0.855 118 Q CB -0.871 27.844 28.738 -0.038 0.000 0.911 118 Q HN 0.506 nan 8.270 nan 0.000 0.438 119 G N 0.229 109.000 108.800 -0.047 0.000 2.402 119 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.216 119 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.216 119 G C 1.273 176.153 174.900 -0.033 0.000 1.162 119 G CA 0.721 45.792 45.100 -0.048 0.000 0.777 119 G HN 0.354 nan 8.290 nan 0.000 0.539 120 K N -0.077 120.303 120.400 -0.033 0.000 2.057 120 K HA -0.018 4.301 4.320 -0.002 0.000 0.206 120 K C 2.532 179.125 176.600 -0.011 0.000 1.050 120 K CA 0.926 57.200 56.287 -0.020 0.000 0.935 120 K CB -0.150 32.338 32.500 -0.020 0.000 0.715 120 K HN 0.171 nan 8.250 nan 0.000 0.439 121 R N 1.153 121.646 120.500 -0.010 0.000 2.091 121 R HA -0.107 4.232 4.340 -0.002 0.000 0.238 121 R C 1.752 178.053 176.300 0.001 0.000 1.136 121 R CA 1.340 57.440 56.100 -0.001 0.000 0.959 121 R CB -0.067 30.233 30.300 0.001 0.000 0.856 121 R HN 0.156 nan 8.270 nan 0.000 0.437 122 L N -0.688 120.534 121.223 -0.003 0.000 2.607 122 L HA 0.272 4.611 4.340 -0.002 0.000 0.228 122 L C 0.884 177.754 176.870 -0.000 0.000 1.123 122 L CA 0.323 55.164 54.840 0.000 0.000 0.890 122 L CB 0.555 42.613 42.059 -0.001 0.000 1.103 122 L HN 0.562 nan 8.230 nan 0.000 0.468 123 G N 1.281 110.079 108.800 -0.003 0.000 2.246 123 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.273 123 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.273 123 G C -0.543 174.358 174.900 0.001 0.000 1.055 123 G CA -0.026 45.074 45.100 -0.001 0.000 0.851 123 G HN 0.127 nan 8.290 nan 0.000 0.500 124 L N 0.585 121.807 121.223 -0.002 0.000 2.388 124 L HA 0.692 5.031 4.340 -0.002 0.000 0.264 124 L C -1.923 174.947 176.870 -0.001 0.000 0.998 124 L CA -2.298 52.545 54.840 0.004 0.000 0.817 124 L CB 2.331 44.393 42.059 0.005 0.000 1.338 124 L HN -0.064 nan 8.230 nan 0.000 0.414 125 P HA 0.102 nan 4.420 nan 0.000 0.274 125 P C 0.910 178.210 177.300 0.001 0.000 1.237 125 P CA -0.252 62.870 63.100 0.036 0.000 0.793 125 P CB 1.114 32.918 31.700 0.173 0.000 0.977 126 V N 1.552 121.359 119.914 -0.177 0.000 2.469 126 V HA -0.259 3.860 4.120 -0.002 0.000 0.251 126 V C 2.701 178.829 176.094 0.056 0.000 1.064 126 V CA 2.849 65.060 62.300 -0.148 0.000 1.066 126 V CB -1.678 29.927 31.823 -0.364 0.000 0.667 126 V HN 0.732 nan 8.190 nan 0.000 0.461 127 S N 0.053 115.935 115.700 0.303 0.000 2.399 127 S HA -0.209 4.260 4.470 -0.002 0.000 0.231 127 S C 1.724 176.376 174.600 0.088 0.000 1.022 127 S CA 1.355 59.667 58.200 0.186 0.000 0.983 127 S CB -0.335 62.946 63.200 0.135 0.000 0.803 127 S HN 0.639 nan 8.310 nan 0.000 0.480 128 E N 1.607 121.853 120.200 0.077 0.000 2.230 128 E HA 0.192 4.541 4.350 -0.002 0.000 0.192 128 E C 2.091 178.706 176.600 0.025 0.000 0.987 128 E CA 0.371 56.796 56.400 0.042 0.000 0.841 128 E CB -0.550 29.171 29.700 0.035 0.000 0.783 128 E HN 0.530 nan 8.360 nan 0.000 0.481 129 L N 0.263 121.496 121.223 0.017 0.000 2.141 129 L HA -0.065 4.273 4.340 -0.002 0.000 0.209 129 L C 2.058 178.932 176.870 0.006 0.000 1.094 129 L CA 0.725 55.566 54.840 0.002 0.000 0.763 129 L CB -0.282 41.767 42.059 -0.016 0.000 0.908 129 L HN 0.080 nan 8.230 nan 0.000 0.437 130 L N -0.798 120.434 121.223 0.015 0.000 2.627 130 L HA 0.129 4.468 4.340 -0.002 0.000 0.233 130 L C 1.430 178.314 176.870 0.023 0.000 1.144 130 L CA 0.648 55.498 54.840 0.017 0.000 0.892 130 L CB -0.174 41.898 42.059 0.022 0.000 1.039 130 L HN 0.474 nan 8.230 nan 0.000 0.442 131 G N -0.865 107.948 108.800 0.022 0.000 2.545 131 G HA2 0.003 3.962 3.960 -0.002 0.000 0.195 131 G HA3 0.003 3.962 3.960 -0.002 0.000 0.195 131 G C 0.473 175.386 174.900 0.023 0.000 1.009 131 G CA -0.358 44.755 45.100 0.022 0.000 0.703 131 G HN 0.699 nan 8.290 nan 0.000 0.479 132 G N -0.142 108.674 108.800 0.027 0.000 2.931 132 G HA2 0.510 4.469 3.960 -0.002 0.000 0.675 132 G HA3 0.510 4.469 3.960 -0.002 0.000 0.675 132 G C -0.285 174.630 174.900 0.025 0.000 1.339 132 G CA 0.363 45.478 45.100 0.025 0.000 0.866 132 G HN 1.430 nan 8.290 nan 0.000 0.616 133 R N 0.184 120.697 120.500 0.021 0.000 2.582 133 R HA 0.647 4.986 4.340 -0.002 0.000 0.271 133 R C 1.025 177.332 176.300 0.011 0.000 1.078 133 R CA -0.105 56.003 56.100 0.012 0.000 1.127 133 R CB 1.247 31.544 30.300 -0.006 0.000 1.038 133 R HN 1.294 nan 8.270 nan 0.000 0.500 134 V N -1.713 118.208 119.914 0.012 0.000 3.477 134 V HA 0.288 4.407 4.120 -0.002 0.000 0.297 134 V C 0.146 176.243 176.094 0.004 0.000 1.433 134 V CA -0.079 62.227 62.300 0.010 0.000 1.052 134 V CB -1.133 30.698 31.823 0.015 0.000 0.895 134 V HN 0.943 nan 8.190 nan 0.000 0.438 135 R N -1.694 118.805 120.500 -0.001 0.000 2.712 135 R HA 0.509 4.848 4.340 -0.002 0.000 0.272 135 R C -1.079 175.208 176.300 -0.022 0.000 1.032 135 R CA -0.443 55.652 56.100 -0.009 0.000 0.874 135 R CB 0.964 31.263 30.300 -0.001 0.000 1.256 135 R HN -0.055 nan 8.270 nan 0.000 0.468 136 D N -0.219 120.164 120.400 -0.028 0.000 2.423 136 D HA 0.234 4.873 4.640 -0.002 0.000 0.208 136 D C -0.118 176.142 176.300 -0.067 0.000 1.068 136 D CA 0.583 54.561 54.000 -0.037 0.000 0.860 136 D CB 1.281 42.079 40.800 -0.003 0.000 0.992 136 D HN 0.561 nan 8.370 nan 0.000 0.504 137 A N 0.614 123.380 122.820 -0.090 0.000 2.413 137 A HA 0.733 5.052 4.320 -0.002 0.000 0.307 137 A C -1.095 176.488 177.584 -0.001 0.000 1.087 137 A CA -0.496 51.436 52.037 -0.175 0.000 0.750 137 A CB 1.418 20.160 19.000 -0.429 0.000 1.296 137 A HN 0.054 nan 8.150 nan 0.000 0.423 138 L N 2.563 123.809 121.223 0.038 0.000 2.385 138 L HA 0.487 4.826 4.340 -0.002 0.000 0.273 138 L C -2.346 174.550 176.870 0.044 0.000 0.990 138 L CA -2.133 52.764 54.840 0.095 0.000 0.821 138 L CB 2.743 44.844 42.059 0.069 0.000 1.279 138 L HN 0.504 nan 8.230 nan 0.000 0.412 139 P HA 0.089 nan 4.420 nan 0.000 0.271 139 P C -0.944 176.306 177.300 -0.084 0.000 1.216 139 P CA -0.123 62.736 63.100 -0.402 0.000 0.771 139 P CB 1.519 33.045 31.700 -0.291 0.000 0.864 140 V N 3.202 123.131 119.914 0.025 0.000 2.444 140 V HA 0.506 4.625 4.120 -0.002 0.000 0.294 140 V C 0.679 176.955 176.094 0.303 0.000 1.022 140 V CA -0.797 61.646 62.300 0.239 0.000 0.850 140 V CB 1.279 33.371 31.823 0.448 0.000 0.992 140 V HN 0.737 nan 8.190 nan 0.000 0.426 141 A N 5.193 128.145 122.820 0.220 0.000 2.259 141 A HA 0.717 5.036 4.320 -0.002 0.000 0.278 141 A C -0.677 176.903 177.584 -0.007 0.000 1.107 141 A CA -0.499 51.601 52.037 0.105 0.000 0.828 141 A CB 0.941 20.043 19.000 0.169 0.000 1.111 141 A HN 0.962 nan 8.150 nan 0.000 0.498 142 W N 0.445 121.457 121.300 -0.479 0.000 2.883 142 W HA 0.443 5.101 4.660 -0.002 0.000 0.335 142 W C -1.456 174.812 176.519 -0.417 0.000 1.083 142 W CA -0.312 56.548 57.345 -0.808 0.000 1.233 142 W CB 1.978 30.980 29.460 -0.763 0.000 1.412 142 W HN 0.612 nan 8.180 nan 0.000 0.490 143 T N 6.374 120.149 114.554 -1.299 0.000 2.771 143 T HA 0.390 4.739 4.350 -0.002 0.000 0.291 143 T C 0.064 174.425 174.700 -0.566 0.000 0.954 143 T CA -0.239 61.500 62.100 -0.601 0.000 1.045 143 T CB 0.666 69.409 68.868 -0.209 0.000 0.917 143 T HN 0.212 nan 8.240 nan 0.000 0.484 144 L N 3.107 124.230 121.223 -0.167 0.000 2.257 144 L HA 0.638 4.976 4.340 -0.002 0.000 0.290 144 L C 0.508 177.317 176.870 -0.102 0.000 1.044 144 L CA -0.636 54.172 54.840 -0.054 0.000 0.810 144 L CB 0.913 42.996 42.059 0.040 0.000 1.193 144 L HN 0.774 nan 8.230 nan 0.000 0.425 145 A N 1.267 123.992 122.820 -0.160 0.000 3.339 145 A HA 0.232 4.551 4.320 -0.002 0.000 0.219 145 A C 0.806 178.300 177.584 -0.149 0.000 0.974 145 A CA 0.011 51.906 52.037 -0.235 0.000 1.050 145 A CB 0.213 18.848 19.000 -0.608 0.000 1.271 145 A HN 0.670 nan 8.150 nan 0.000 0.565 146 S N -0.972 114.703 115.700 -0.041 0.000 2.478 146 S HA 0.380 4.849 4.470 -0.002 0.000 0.222 146 S C 1.517 176.097 174.600 -0.034 0.000 1.008 146 S CA 1.121 59.316 58.200 -0.009 0.000 0.928 146 S CB -0.012 63.210 63.200 0.036 0.000 0.781 146 S HN 2.196 nan 8.310 nan 0.000 0.518 147 G N 0.544 109.308 108.800 -0.059 0.000 2.132 147 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.234 147 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.234 147 G C -0.373 174.465 174.900 -0.103 0.000 0.989 147 G CA 0.146 45.178 45.100 -0.113 0.000 0.676 147 G HN 0.758 nan 8.290 nan 0.000 0.522 148 D N -1.536 118.848 120.400 -0.026 0.000 2.855 148 D HA 0.613 5.252 4.640 -0.002 0.000 0.241 148 D C 1.472 177.850 176.300 0.131 0.000 1.277 148 D CA 0.262 54.274 54.000 0.019 0.000 0.918 148 D CB 0.897 41.708 40.800 0.019 0.000 1.462 148 D HN -0.102 nan 8.370 nan 0.000 0.559 149 T N 1.814 116.482 114.554 0.190 0.000 2.652 149 T HA -0.178 4.170 4.350 -0.002 0.000 0.267 149 T C 1.942 176.692 174.700 0.083 0.000 1.039 149 T CA 1.667 63.909 62.100 0.236 0.000 1.153 149 T CB -0.271 68.729 68.868 0.220 0.000 0.863 149 T HN 0.553 nan 8.240 nan 0.000 0.428 150 A N 1.770 124.622 122.820 0.055 0.000 1.908 150 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 150 A C 2.264 179.859 177.584 0.018 0.000 1.181 150 A CA 1.830 53.881 52.037 0.024 0.000 0.627 150 A CB -0.494 18.518 19.000 0.020 0.000 0.818 150 A HN 0.512 nan 8.150 nan 0.000 0.445 151 K N -0.583 119.837 120.400 0.033 0.000 2.057 151 K HA -0.130 4.189 4.320 -0.002 0.000 0.206 151 K C 1.551 178.170 176.600 0.031 0.000 1.050 151 K CA 1.376 57.682 56.287 0.032 0.000 0.935 151 K CB -0.254 32.269 32.500 0.040 0.000 0.715 151 K HN 0.369 nan 8.250 nan 0.000 0.439 152 D N 1.074 121.499 120.400 0.043 0.000 2.117 152 D HA -0.113 4.526 4.640 -0.002 0.000 0.197 152 D C 1.874 178.134 176.300 -0.066 0.000 0.987 152 D CA 0.972 54.983 54.000 0.018 0.000 0.829 152 D CB -0.140 40.688 40.800 0.046 0.000 0.961 152 D HN 0.155 nan 8.370 nan 0.000 0.460 153 I N 0.971 121.499 120.570 -0.071 0.000 2.179 153 I HA -0.259 3.910 4.170 -0.002 0.000 0.242 153 I C 2.445 178.502 176.117 -0.100 0.000 1.088 153 I CA 1.019 62.253 61.300 -0.111 0.000 1.357 153 I CB -0.217 37.738 38.000 -0.075 0.000 1.051 153 I HN -0.068 nan 8.210 nan 0.000 0.409 154 A N 0.347 123.136 122.820 -0.051 0.000 1.902 154 A HA -0.284 4.035 4.320 -0.002 0.000 0.217 154 A C 2.301 179.860 177.584 -0.041 0.000 1.181 154 A CA 2.081 54.097 52.037 -0.036 0.000 0.623 154 A CB -0.681 18.313 19.000 -0.011 0.000 0.818 154 A HN 0.516 nan 8.150 nan 0.000 0.443 155 E N -0.186 119.999 120.200 -0.026 0.000 2.077 155 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 155 E C 2.116 178.673 176.600 -0.071 0.000 0.989 155 E CA 1.076 57.475 56.400 -0.002 0.000 0.800 155 E CB -0.284 29.480 29.700 0.107 0.000 0.746 155 E HN 0.523 nan 8.360 nan 0.000 0.452 156 A N 0.913 123.603 122.820 -0.216 0.000 1.902 156 A HA -0.218 4.101 4.320 -0.002 0.000 0.217 156 A C 2.185 179.620 177.584 -0.250 0.000 1.181 156 A CA 1.423 53.108 52.037 -0.587 0.000 0.623 156 A CB -0.510 17.849 19.000 -1.068 0.000 0.818 156 A HN 0.280 nan 8.150 nan 0.000 0.443 157 Q N -0.414 119.296 119.800 -0.150 0.000 2.124 157 Q HA -0.196 4.143 4.340 -0.002 0.000 0.202 157 Q C 2.117 178.118 176.000 0.003 0.000 0.977 157 Q CA 1.847 57.624 55.803 -0.044 0.000 0.850 157 Q CB -0.285 28.428 28.738 -0.040 0.000 0.901 157 Q HN 0.819 nan 8.270 nan 0.000 0.429 158 K N -0.058 120.331 120.400 -0.018 0.000 2.025 158 K HA -0.112 4.207 4.320 -0.002 0.000 0.207 158 K C 2.020 178.618 176.600 -0.004 0.000 1.049 158 K CA 1.098 57.375 56.287 -0.017 0.000 0.933 158 K CB 0.068 32.545 32.500 -0.038 0.000 0.714 158 K HN 0.043 nan 8.250 nan 0.000 0.438 159 M N 0.999 120.606 119.600 0.013 0.000 2.159 159 M HA -0.130 4.349 4.480 -0.002 0.000 0.263 159 M C 2.199 178.616 176.300 0.194 0.000 1.063 159 M CA 1.352 56.687 55.300 0.058 0.000 1.110 159 M CB -0.896 31.782 32.600 0.129 0.000 1.374 159 M HN 0.222 nan 8.290 nan 0.000 0.411 160 L N -0.004 121.398 121.223 0.298 0.000 1.994 160 L HA -0.239 4.100 4.340 -0.002 0.000 0.208 160 L C 2.043 179.054 176.870 0.235 0.000 1.071 160 L CA 1.217 56.268 54.840 0.352 0.000 0.745 160 L CB -0.668 41.563 42.059 0.286 0.000 0.892 160 L HN 0.250 nan 8.230 nan 0.000 0.431 161 D N -0.142 120.331 120.400 0.122 0.000 2.264 161 D HA -0.118 4.521 4.640 -0.002 0.000 0.208 161 D C 2.157 178.462 176.300 0.008 0.000 0.966 161 D CA 1.039 55.078 54.000 0.064 0.000 0.864 161 D CB 0.010 40.832 40.800 0.036 0.000 0.933 161 D HN 0.313 nan 8.370 nan 0.000 0.499 162 L N -0.237 120.971 121.223 -0.026 0.000 2.554 162 L HA 0.154 4.493 4.340 -0.002 0.000 0.226 162 L C 0.403 177.156 176.870 -0.196 0.000 1.137 162 L CA 0.076 54.858 54.840 -0.096 0.000 0.863 162 L CB 0.027 42.019 42.059 -0.111 0.000 0.985 162 L HN -0.090 nan 8.230 nan 0.000 0.451 163 R N -0.603 119.758 120.500 -0.233 0.000 3.531 163 R HA -0.190 4.149 4.340 -0.002 0.000 0.280 163 R C 1.297 177.081 176.300 -0.860 0.000 1.130 163 R CA 0.128 55.768 56.100 -0.766 0.000 0.757 163 R CB -1.212 28.687 30.300 -0.669 0.000 1.218 163 R HN 0.287 nan 8.270 nan 0.000 0.454 164 R N 0.188 120.426 120.500 -0.436 0.000 2.074 164 R HA 0.150 4.489 4.340 -0.002 0.000 0.218 164 R C 0.492 176.390 176.300 -0.670 0.000 1.137 164 R CA 1.257 57.022 56.100 -0.558 0.000 0.998 164 R CB 0.292 30.281 30.300 -0.518 0.000 0.895 164 R HN 0.352 nan 8.270 nan 0.000 0.442 165 H N -0.564 118.632 119.070 0.210 0.000 2.996 165 H HA 0.276 4.831 4.556 -0.002 0.000 0.368 165 H C 0.009 175.370 175.328 0.054 0.000 1.185 165 H CA -0.443 55.701 56.048 0.160 0.000 1.160 165 H CB 1.884 31.583 29.762 -0.104 0.000 1.820 165 H HN 0.100 nan 8.280 nan 0.000 0.547 166 R N 1.068 121.451 120.500 -0.196 0.000 2.549 166 R HA 0.411 4.750 4.340 -0.002 0.000 0.361 166 R C -0.682 175.340 176.300 -0.464 0.000 0.969 166 R CA -0.001 55.888 56.100 -0.353 0.000 1.158 166 R CB 0.552 30.463 30.300 -0.648 0.000 1.456 166 R HN 0.243 nan 8.270 nan 0.000 0.540 167 I N 1.710 121.887 120.570 -0.655 0.000 2.418 167 I HA 0.433 4.601 4.170 -0.002 0.000 0.287 167 I C -1.222 174.510 176.117 -0.641 0.000 1.008 167 I CA -1.014 60.043 61.300 -0.405 0.000 1.104 167 I CB 1.609 39.524 38.000 -0.141 0.000 1.264 167 I HN -0.107 nan 8.210 nan 0.000 0.438 168 F N 4.999 125.009 119.950 0.101 0.000 2.507 168 F HA 0.480 5.005 4.527 -0.002 0.000 0.325 168 F C 0.107 175.938 175.800 0.052 0.000 1.116 168 F CA -0.836 57.216 58.000 0.086 0.000 0.930 168 F CB 1.796 40.846 39.000 0.084 0.000 1.146 168 F HN 0.267 nan 8.300 nan 0.000 0.447 169 K N 3.770 124.279 120.400 0.182 0.000 2.265 169 K HA 0.655 4.974 4.320 -0.002 0.000 0.267 169 K C -1.777 174.861 176.600 0.064 0.000 0.994 169 K CA -0.630 55.720 56.287 0.105 0.000 0.860 169 K CB 0.819 33.387 32.500 0.114 0.000 1.099 169 K HN 0.528 nan 8.250 nan 0.000 0.448 170 L N 4.804 126.056 121.223 0.047 0.000 2.287 170 L HA 0.368 4.707 4.340 -0.002 0.000 0.287 170 L C -0.327 176.546 176.870 0.006 0.000 1.022 170 L CA -0.528 54.331 54.840 0.032 0.000 0.814 170 L CB 1.278 43.359 42.059 0.037 0.000 1.217 170 L HN 0.491 nan 8.230 nan 0.000 0.420 171 K N 5.579 125.966 120.400 -0.021 0.000 2.258 171 K HA 0.616 4.935 4.320 -0.002 0.000 0.284 171 K C -0.185 176.390 176.600 -0.042 0.000 1.051 171 K CA -0.115 56.139 56.287 -0.055 0.000 0.923 171 K CB 1.244 33.686 32.500 -0.098 0.000 1.046 171 K HN 0.684 nan 8.250 nan 0.000 0.474 172 I N -3.529 116.992 120.570 -0.082 0.000 3.343 172 I HA 0.759 4.928 4.170 -0.002 0.000 0.315 172 I C 0.675 176.702 176.117 -0.150 0.000 1.153 172 I CA -0.897 60.365 61.300 -0.063 0.000 0.952 172 I CB 2.229 40.237 38.000 0.014 0.000 1.287 172 I HN 0.577 nan 8.210 nan 0.000 0.472 173 G N 0.767 109.527 108.800 -0.066 0.000 2.231 173 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.206 173 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.206 173 G C 0.809 175.713 174.900 0.007 0.000 0.996 173 G CA 0.475 45.523 45.100 -0.086 0.000 0.645 173 G HN 1.262 nan 8.290 nan 0.000 0.498 174 A N 0.310 123.125 122.820 -0.009 0.000 2.072 174 A HA 0.652 4.971 4.320 -0.002 0.000 0.216 174 A C 1.680 179.273 177.584 0.014 0.000 1.156 174 A CA 2.132 54.166 52.037 -0.005 0.000 0.701 174 A CB -0.238 18.743 19.000 -0.032 0.000 0.816 174 A HN 1.708 nan 8.150 nan 0.000 0.458 175 G N -0.875 107.942 108.800 0.028 0.000 2.938 175 G HA2 0.500 4.459 3.960 -0.002 0.000 0.258 175 G HA3 0.500 4.459 3.960 -0.002 0.000 0.258 175 G C -0.803 174.137 174.900 0.067 0.000 1.356 175 G CA -0.690 44.427 45.100 0.029 0.000 1.052 175 G HN 0.350 nan 8.290 nan 0.000 0.550 176 E N -0.627 119.599 120.200 0.043 0.000 2.384 176 E HA 0.082 4.431 4.350 -0.002 0.000 0.266 176 E C 1.315 177.951 176.600 0.061 0.000 1.012 176 E CA -0.338 56.087 56.400 0.040 0.000 0.901 176 E CB 2.145 31.854 29.700 0.015 0.000 0.967 176 E HN 0.181 nan 8.360 nan 0.000 0.435 177 V N 4.069 124.008 119.914 0.042 0.000 2.250 177 V HA -0.319 3.800 4.120 -0.002 0.000 0.250 177 V C 1.243 177.347 176.094 0.016 0.000 1.060 177 V CA 2.371 64.683 62.300 0.020 0.000 1.030 177 V CB -0.164 31.535 31.823 -0.207 0.000 0.643 177 V HN 0.715 nan 8.190 nan 0.000 0.445 178 D N -0.908 119.483 120.400 -0.016 0.000 2.218 178 D HA -0.175 4.464 4.640 -0.002 0.000 0.204 178 D C 2.237 178.555 176.300 0.030 0.000 0.976 178 D CA 1.439 55.437 54.000 -0.004 0.000 0.853 178 D CB -0.216 40.574 40.800 -0.018 0.000 0.939 178 D HN 0.498 nan 8.370 nan 0.000 0.481 179 R N 0.622 121.144 120.500 0.037 0.000 2.073 179 R HA -0.099 4.239 4.340 -0.002 0.000 0.229 179 R C 1.449 177.798 176.300 0.082 0.000 1.120 179 R CA 1.150 57.276 56.100 0.044 0.000 0.967 179 R CB 0.190 30.503 30.300 0.022 0.000 0.862 179 R HN -0.075 nan 8.270 nan 0.000 0.436 180 D N 0.518 120.981 120.400 0.105 0.000 2.144 180 D HA -0.130 4.509 4.640 -0.002 0.000 0.200 180 D C 1.934 178.358 176.300 0.208 0.000 0.978 180 D CA 1.004 55.102 54.000 0.163 0.000 0.833 180 D CB -0.044 40.881 40.800 0.209 0.000 0.961 180 D HN 0.260 nan 8.370 nan 0.000 0.470 181 L N 0.596 121.915 121.223 0.160 0.000 2.046 181 L HA -0.128 4.211 4.340 -0.002 0.000 0.208 181 L C 2.547 179.476 176.870 0.098 0.000 1.077 181 L CA 1.101 56.018 54.840 0.127 0.000 0.747 181 L CB -0.474 41.626 42.059 0.069 0.000 0.896 181 L HN -0.027 nan 8.230 nan 0.000 0.432 182 A N -0.355 122.518 122.820 0.089 0.000 1.908 182 A HA -0.312 4.007 4.320 -0.002 0.000 0.218 182 A C 2.113 179.753 177.584 0.094 0.000 1.181 182 A CA 2.093 54.173 52.037 0.072 0.000 0.627 182 A CB -0.866 18.171 19.000 0.060 0.000 0.818 182 A HN 0.563 nan 8.150 nan 0.000 0.445 183 H N -0.141 118.944 119.070 0.024 0.000 2.290 183 H HA -0.107 4.448 4.556 -0.002 0.000 0.298 183 H C 1.817 177.156 175.328 0.018 0.000 1.087 183 H CA 2.307 58.366 56.048 0.017 0.000 1.291 183 H CB -0.419 29.355 29.762 0.019 0.000 1.369 183 H HN 0.107 nan 8.280 nan 0.000 0.492 184 V N 0.731 120.614 119.914 -0.053 0.000 2.295 184 V HA -0.242 3.877 4.120 -0.002 0.000 0.246 184 V C 2.713 178.763 176.094 -0.073 0.000 1.049 184 V CA 2.048 64.283 62.300 -0.107 0.000 1.024 184 V CB -0.573 31.270 31.823 0.033 0.000 0.648 184 V HN 0.458 nan 8.190 nan 0.000 0.447 185 I N 0.420 120.980 120.570 -0.017 0.000 2.286 185 I HA -0.223 3.945 4.170 -0.002 0.000 0.248 185 I C 2.657 178.757 176.117 -0.028 0.000 1.115 185 I CA 1.404 62.699 61.300 -0.009 0.000 1.392 185 I CB -0.592 37.414 38.000 0.011 0.000 1.065 185 I HN 0.291 nan 8.210 nan 0.000 0.418 186 A N 1.078 123.875 122.820 -0.039 0.000 1.933 186 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 186 A C 2.294 179.835 177.584 -0.071 0.000 1.175 186 A CA 1.457 53.469 52.037 -0.041 0.000 0.628 186 A CB -0.733 18.253 19.000 -0.024 0.000 0.814 186 A HN 0.373 nan 8.150 nan 0.000 0.444 187 I N -0.722 119.770 120.570 -0.130 0.000 2.202 187 I HA -0.231 3.938 4.170 -0.002 0.000 0.242 187 I C 2.526 178.592 176.117 -0.085 0.000 1.091 187 I CA 1.799 63.012 61.300 -0.144 0.000 1.368 187 I CB -0.195 37.665 38.000 -0.232 0.000 1.058 187 I HN 0.259 nan 8.210 nan 0.000 0.410 188 K N 1.812 122.178 120.400 -0.055 0.000 2.057 188 K HA -0.231 4.088 4.320 -0.002 0.000 0.207 188 K C 2.033 178.626 176.600 -0.011 0.000 1.049 188 K CA 1.704 57.983 56.287 -0.014 0.000 0.931 188 K CB -0.299 32.203 32.500 0.004 0.000 0.714 188 K HN 0.106 nan 8.250 nan 0.000 0.440 189 K N -0.526 119.864 120.400 -0.017 0.000 2.097 189 K HA -0.085 4.234 4.320 -0.002 0.000 0.206 189 K C 1.854 178.446 176.600 -0.014 0.000 1.049 189 K CA 1.312 57.593 56.287 -0.011 0.000 0.933 189 K CB -0.262 32.232 32.500 -0.010 0.000 0.717 189 K HN 0.219 nan 8.250 nan 0.000 0.442 190 A N 0.823 123.627 122.820 -0.027 0.000 1.929 190 A HA -0.046 4.273 4.320 -0.002 0.000 0.216 190 A C 1.989 179.558 177.584 -0.025 0.000 1.176 190 A CA 1.038 53.057 52.037 -0.029 0.000 0.628 190 A CB -0.320 18.652 19.000 -0.046 0.000 0.816 190 A HN 0.298 nan 8.150 nan 0.000 0.444 191 L N -1.691 119.517 121.223 -0.026 0.000 2.249 191 L HA 0.232 4.571 4.340 -0.002 0.000 0.207 191 L C 1.854 178.735 176.870 0.018 0.000 1.090 191 L CA 0.420 55.256 54.840 -0.005 0.000 0.802 191 L CB -1.004 41.054 42.059 -0.002 0.000 0.947 191 L HN 0.606 nan 8.230 nan 0.000 0.453 192 G N 0.848 109.657 108.800 0.016 0.000 2.566 192 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.280 192 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.280 192 G C 0.290 175.207 174.900 0.028 0.000 1.225 192 G CA 0.337 45.449 45.100 0.019 0.000 0.966 192 G HN 0.286 nan 8.290 nan 0.000 0.560 193 D N 1.114 121.527 120.400 0.022 0.000 2.363 193 D HA 0.029 4.668 4.640 -0.002 0.000 0.220 193 D C 2.614 178.925 176.300 0.018 0.000 0.994 193 D CA 1.329 55.340 54.000 0.019 0.000 0.890 193 D CB -0.150 40.657 40.800 0.011 0.000 0.906 193 D HN 0.555 nan 8.370 nan 0.000 0.530 194 S N -0.246 115.472 115.700 0.030 0.000 2.515 194 S HA 0.206 4.674 4.470 -0.002 0.000 0.231 194 S C 0.831 175.458 174.600 0.044 0.000 0.987 194 S CA 0.028 58.248 58.200 0.033 0.000 0.936 194 S CB 0.339 63.570 63.200 0.052 0.000 0.766 194 S HN 0.197 nan 8.310 nan 0.000 0.528 195 A N 0.530 123.395 122.820 0.076 0.000 2.587 195 A HA 0.739 5.058 4.320 -0.002 0.000 0.293 195 A C -0.584 177.062 177.584 0.104 0.000 1.087 195 A CA -0.487 51.624 52.037 0.123 0.000 0.692 195 A CB 1.353 20.567 19.000 0.357 0.000 1.291 195 A HN 0.275 nan 8.150 nan 0.000 0.407 196 S N 0.261 116.011 115.700 0.084 0.000 2.442 196 S HA 0.620 5.089 4.470 -0.002 0.000 0.297 196 S C -0.808 173.881 174.600 0.148 0.000 1.131 196 S CA -0.381 57.869 58.200 0.084 0.000 1.092 196 S CB 0.525 63.750 63.200 0.042 0.000 0.998 196 S HN 1.016 nan 8.310 nan 0.000 0.478 197 V N 6.438 126.436 119.914 0.139 0.000 2.495 197 V HA 0.638 4.757 4.120 -0.002 0.000 0.298 197 V C -0.061 176.095 176.094 0.103 0.000 1.031 197 V CA -0.707 61.681 62.300 0.147 0.000 0.871 197 V CB 1.586 33.473 31.823 0.107 0.000 0.988 197 V HN 0.941 nan 8.190 nan 0.000 0.432 198 R N 2.521 123.076 120.500 0.092 0.000 2.867 198 R HA 0.891 5.229 4.340 -0.002 0.000 0.268 198 R C -1.142 175.170 176.300 0.020 0.000 1.014 198 R CA -0.848 55.276 56.100 0.040 0.000 0.946 198 R CB 2.425 32.734 30.300 0.015 0.000 1.208 198 R HN 0.607 nan 8.270 nan 0.000 0.477 199 V N -2.193 117.709 119.914 -0.021 0.000 3.001 199 V HA 0.690 4.808 4.120 -0.002 0.000 0.314 199 V C -1.250 174.789 176.094 -0.091 0.000 1.099 199 V CA -0.722 61.556 62.300 -0.037 0.000 0.989 199 V CB 2.176 33.983 31.823 -0.027 0.000 1.040 199 V HN 0.737 nan 8.190 nan 0.000 0.434 200 D N 0.998 121.334 120.400 -0.107 0.000 2.788 200 D HA 0.521 5.160 4.640 -0.002 0.000 0.247 200 D C 0.064 176.237 176.300 -0.212 0.000 1.236 200 D CA -0.295 53.626 54.000 -0.131 0.000 0.898 200 D CB 2.234 43.005 40.800 -0.048 0.000 1.401 200 D HN 0.386 nan 8.370 nan 0.000 0.549 201 V N 2.769 122.485 119.914 -0.330 0.000 3.660 201 V HA 0.121 4.240 4.120 -0.002 0.000 0.276 201 V C 0.653 176.545 176.094 -0.336 0.000 1.317 201 V CA -0.038 61.958 62.300 -0.506 0.000 1.097 201 V CB -1.424 29.812 31.823 -0.977 0.000 0.863 201 V HN 0.776 nan 8.190 nan 0.000 0.438 202 N N 1.402 119.978 118.700 -0.208 0.000 2.716 202 N HA -0.309 4.430 4.740 -0.002 0.000 0.250 202 N C 0.532 175.938 175.510 -0.175 0.000 1.033 202 N CA 0.777 53.737 53.050 -0.150 0.000 0.727 202 N CB -0.897 37.532 38.487 -0.096 0.000 0.950 202 N HN 0.729 nan 8.380 nan 0.000 0.541 203 Q N -4.699 114.993 119.800 -0.180 0.000 2.362 203 Q HA -0.350 3.989 4.340 -0.002 0.000 0.220 203 Q C 1.331 177.264 176.000 -0.111 0.000 0.713 203 Q CA 1.020 56.743 55.803 -0.133 0.000 1.345 203 Q CB -1.589 27.079 28.738 -0.117 0.000 1.570 203 Q HN 0.699 nan 8.270 nan 0.000 0.701 204 A N -0.270 122.444 122.820 -0.178 0.000 2.019 204 A HA -0.104 4.215 4.320 -0.002 0.000 0.219 204 A C 0.482 178.107 177.584 0.070 0.000 1.164 204 A CA 0.847 52.822 52.037 -0.103 0.000 0.644 204 A CB -0.107 18.795 19.000 -0.163 0.000 0.805 204 A HN 0.397 nan 8.150 nan 0.000 0.449 205 W N 0.508 121.793 121.300 -0.024 0.000 2.375 205 W HA 0.474 5.133 4.660 -0.002 0.000 0.336 205 W C -0.647 175.858 176.519 -0.023 0.000 1.160 205 W CA -1.530 55.802 57.345 -0.022 0.000 1.266 205 W CB 0.052 29.500 29.460 -0.020 0.000 1.195 205 W HN 0.063 nan 8.180 nan 0.000 0.599 206 D N 0.256 120.784 120.400 0.213 0.000 2.283 206 D HA -0.008 4.631 4.640 -0.002 0.000 0.248 206 D C 1.219 177.571 176.300 0.087 0.000 1.072 206 D CA -0.202 53.858 54.000 0.100 0.000 0.929 206 D CB 1.065 41.891 40.800 0.044 0.000 1.182 206 D HN 0.502 nan 8.370 nan 0.000 0.433 207 E N 1.310 121.543 120.200 0.056 0.000 2.118 207 E HA -0.252 4.097 4.350 -0.002 0.000 0.195 207 E C 1.577 178.176 176.600 -0.001 0.000 0.992 207 E CA 1.260 57.683 56.400 0.038 0.000 0.804 207 E CB 0.088 29.802 29.700 0.023 0.000 0.741 207 E HN 0.492 nan 8.360 nan 0.000 0.458 208 A N 0.370 123.180 122.820 -0.016 0.000 1.978 208 A HA -0.151 4.168 4.320 -0.002 0.000 0.220 208 A C 2.331 179.860 177.584 -0.092 0.000 1.170 208 A CA 1.570 53.581 52.037 -0.045 0.000 0.636 208 A CB -0.429 18.549 19.000 -0.038 0.000 0.810 208 A HN 0.252 nan 8.150 nan 0.000 0.448 209 V N -0.807 119.032 119.914 -0.125 0.000 2.446 209 V HA -0.073 4.046 4.120 -0.002 0.000 0.244 209 V C 2.990 178.854 176.094 -0.385 0.000 1.039 209 V CA 1.495 63.627 62.300 -0.280 0.000 1.045 209 V CB -0.913 30.689 31.823 -0.368 0.000 0.681 209 V HN 0.583 nan 8.190 nan 0.000 0.459 210 A N 1.205 123.901 122.820 -0.207 0.000 1.933 210 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 210 A C 2.120 179.662 177.584 -0.071 0.000 1.175 210 A CA 2.107 54.098 52.037 -0.076 0.000 0.628 210 A CB -0.626 18.517 19.000 0.238 0.000 0.814 210 A HN 0.638 nan 8.150 nan 0.000 0.444 211 L N -1.266 119.921 121.223 -0.060 0.000 2.187 211 L HA -0.050 4.289 4.340 -0.002 0.000 0.213 211 L C 2.153 178.981 176.870 -0.070 0.000 1.100 211 L CA 2.498 57.312 54.840 -0.045 0.000 0.765 211 L CB -0.625 41.412 42.059 -0.036 0.000 0.904 211 L HN 0.412 nan 8.230 nan 0.000 0.437 212 R N 0.307 120.733 120.500 -0.123 0.000 2.087 212 R HA 0.175 4.514 4.340 -0.002 0.000 0.216 212 R C 2.306 178.517 176.300 -0.149 0.000 1.114 212 R CA 0.957 56.982 56.100 -0.125 0.000 1.002 212 R CB -0.412 29.802 30.300 -0.142 0.000 0.903 212 R HN 0.391 nan 8.270 nan 0.000 0.445 213 A N 0.875 123.533 122.820 -0.269 0.000 1.908 213 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 213 A C 2.388 179.928 177.584 -0.074 0.000 1.181 213 A CA 1.646 53.501 52.037 -0.304 0.000 0.627 213 A CB -1.011 17.451 19.000 -0.895 0.000 0.818 213 A HN 0.597 nan 8.150 nan 0.000 0.445 214 C N -1.149 118.147 119.300 -0.007 0.000 2.425 214 C HA -0.053 4.405 4.460 -0.002 0.000 0.277 214 C C 2.852 177.859 174.990 0.027 0.000 1.280 214 C CA 0.988 60.047 59.018 0.070 0.000 1.744 214 C CB -1.318 26.468 27.740 0.076 0.000 1.989 214 C HN 0.597 nan 8.230 nan 0.000 0.491 215 R N 0.528 121.025 120.500 -0.005 0.000 2.081 215 R HA -0.044 4.295 4.340 -0.002 0.000 0.235 215 R C 2.027 178.325 176.300 -0.003 0.000 1.131 215 R CA 1.323 57.419 56.100 -0.007 0.000 0.960 215 R CB -0.327 29.961 30.300 -0.020 0.000 0.856 215 R HN 0.540 nan 8.270 nan 0.000 0.436 216 I N 0.873 121.435 120.570 -0.013 0.000 2.179 216 I HA -0.300 3.869 4.170 -0.002 0.000 0.242 216 I C 2.277 178.405 176.117 0.018 0.000 1.088 216 I CA 1.342 62.639 61.300 -0.005 0.000 1.357 216 I CB -0.305 37.682 38.000 -0.021 0.000 1.051 216 I HN 0.146 nan 8.210 nan 0.000 0.409 217 L N 0.468 121.714 121.223 0.039 0.000 2.017 217 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 217 L C 2.695 179.590 176.870 0.042 0.000 1.073 217 L CA 1.730 56.605 54.840 0.057 0.000 0.745 217 L CB -1.210 40.907 42.059 0.098 0.000 0.894 217 L HN 0.327 nan 8.230 nan 0.000 0.432 218 G N -0.594 108.228 108.800 0.036 0.000 2.448 218 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.219 218 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.219 218 G C 1.448 176.364 174.900 0.025 0.000 1.127 218 G CA 0.704 45.822 45.100 0.029 0.000 0.766 218 G HN 0.514 nan 8.290 nan 0.000 0.552 219 G N -0.536 108.275 108.800 0.020 0.000 2.985 219 G HA2 0.033 3.992 3.960 -0.002 0.000 0.209 219 G HA3 0.033 3.992 3.960 -0.002 0.000 0.209 219 G C 0.948 175.858 174.900 0.017 0.000 1.165 219 G CA -0.132 44.978 45.100 0.015 0.000 0.776 219 G HN 0.373 nan 8.290 nan 0.000 0.541 220 N N 0.319 119.032 118.700 0.022 0.000 2.351 220 N HA 0.171 4.909 4.740 -0.002 0.000 0.254 220 N C 1.224 176.749 175.510 0.026 0.000 1.241 220 N CA 0.524 53.587 53.050 0.021 0.000 0.883 220 N CB 1.062 39.561 38.487 0.020 0.000 1.202 220 N HN 0.273 nan 8.380 nan 0.000 0.512 221 G N 0.982 109.801 108.800 0.031 0.000 2.143 221 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.248 221 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.248 221 G C -0.046 174.882 174.900 0.048 0.000 0.991 221 G CA -0.265 44.858 45.100 0.037 0.000 0.689 221 G HN 0.236 nan 8.290 nan 0.000 0.522 222 I N 1.401 122.000 120.570 0.048 0.000 2.342 222 I HA 0.273 4.441 4.170 -0.002 0.000 0.291 222 I C 0.745 176.900 176.117 0.063 0.000 1.010 222 I CA -0.849 60.483 61.300 0.054 0.000 1.308 222 I CB 1.258 39.286 38.000 0.048 0.000 1.400 222 I HN -0.028 nan 8.210 nan 0.000 0.488 223 D N 4.783 125.236 120.400 0.088 0.000 2.289 223 D HA 0.078 4.717 4.640 -0.002 0.000 0.207 223 D C 0.338 176.681 176.300 0.070 0.000 0.966 223 D CA 0.954 55.042 54.000 0.147 0.000 0.868 223 D CB 0.661 41.610 40.800 0.250 0.000 0.943 223 D HN 0.259 nan 8.370 nan 0.000 0.514 224 L N 0.108 121.310 121.223 -0.036 0.000 2.545 224 L HA 0.385 4.724 4.340 -0.002 0.000 0.258 224 L C -1.893 174.883 176.870 -0.158 0.000 0.942 224 L CA -0.514 54.194 54.840 -0.219 0.000 0.855 224 L CB 2.336 44.167 42.059 -0.379 0.000 1.374 224 L HN -0.240 nan 8.230 nan 0.000 0.411 225 I N 3.391 123.857 120.570 -0.174 0.000 2.390 225 I HA 0.384 4.553 4.170 -0.002 0.000 0.283 225 I C -0.336 175.685 176.117 -0.160 0.000 1.016 225 I CA -0.459 60.770 61.300 -0.119 0.000 1.151 225 I CB 1.651 39.628 38.000 -0.038 0.000 1.293 225 I HN 0.617 nan 8.210 nan 0.000 0.458 226 E N 5.869 125.965 120.200 -0.174 0.000 2.229 226 E HA 0.092 4.441 4.350 -0.002 0.000 0.283 226 E C -0.085 176.425 176.600 -0.149 0.000 1.030 226 E CA -0.605 55.695 56.400 -0.168 0.000 0.836 226 E CB 0.745 30.349 29.700 -0.160 0.000 1.068 226 E HN 0.456 nan 8.360 nan 0.000 0.401 227 Q N 4.106 123.836 119.800 -0.117 0.000 2.417 227 Q HA -0.174 4.165 4.340 -0.002 0.000 0.368 227 Q C -1.947 173.967 176.000 -0.143 0.000 1.359 227 Q CA 0.623 56.363 55.803 -0.106 0.000 1.122 227 Q CB -0.117 28.564 28.738 -0.094 0.000 1.295 227 Q HN 0.494 nan 8.270 nan 0.000 0.337 228 P HA -0.096 nan 4.420 nan 0.000 0.218 228 P C 0.650 177.931 177.300 -0.032 0.000 1.149 228 P CA 1.624 64.652 63.100 -0.120 0.000 0.817 228 P CB -0.066 31.692 31.700 0.096 0.000 0.785 229 I N -4.951 115.623 120.570 0.006 0.000 3.206 229 I HA 0.551 4.720 4.170 -0.002 0.000 0.313 229 I C -0.049 176.058 176.117 -0.017 0.000 1.103 229 I CA -1.523 59.795 61.300 0.031 0.000 0.985 229 I CB 1.907 39.949 38.000 0.070 0.000 1.240 229 I HN -0.333 nan 8.210 nan 0.000 0.464 230 S N 1.108 116.801 115.700 -0.011 0.000 2.552 230 S HA 0.069 4.538 4.470 -0.002 0.000 0.289 230 S C 1.377 175.956 174.600 -0.034 0.000 1.304 230 S CA 0.002 58.183 58.200 -0.031 0.000 1.063 230 S CB 0.446 63.633 63.200 -0.022 0.000 0.848 230 S HN 0.845 nan 8.310 nan 0.000 0.499 231 R N 3.791 124.261 120.500 -0.050 0.000 2.241 231 R HA -0.103 4.236 4.340 -0.002 0.000 0.224 231 R C 1.191 177.469 176.300 -0.036 0.000 1.101 231 R CA 2.035 58.106 56.100 -0.049 0.000 0.995 231 R CB -0.740 29.524 30.300 -0.059 0.000 0.870 231 R HN 0.702 nan 8.270 nan 0.000 0.463 232 N N 0.666 119.348 118.700 -0.031 0.000 2.409 232 N HA -0.089 4.650 4.740 -0.002 0.000 0.179 232 N C 0.206 175.707 175.510 -0.016 0.000 1.032 232 N CA 0.307 53.344 53.050 -0.023 0.000 0.898 232 N CB 0.014 38.488 38.487 -0.021 0.000 0.971 232 N HN 0.133 nan 8.380 nan 0.000 0.441 233 N N 1.605 120.297 118.700 -0.013 0.000 3.188 233 N HA 0.112 4.851 4.740 -0.002 0.000 0.279 233 N C 0.412 175.916 175.510 -0.009 0.000 1.213 233 N CA -0.072 52.974 53.050 -0.007 0.000 1.138 233 N CB 0.083 38.571 38.487 0.002 0.000 1.417 233 N HN 0.157 nan 8.380 nan 0.000 0.526 234 R N 0.849 121.342 120.500 -0.012 0.000 2.073 234 R HA -0.107 4.232 4.340 -0.002 0.000 0.234 234 R C 1.770 178.063 176.300 -0.011 0.000 1.134 234 R CA 1.764 57.855 56.100 -0.015 0.000 0.952 234 R CB -0.320 29.971 30.300 -0.017 0.000 0.850 234 R HN 0.412 nan 8.270 nan 0.000 0.433 235 A N 0.971 123.786 122.820 -0.008 0.000 1.972 235 A HA -0.060 4.258 4.320 -0.002 0.000 0.219 235 A C 2.401 179.983 177.584 -0.004 0.000 1.169 235 A CA 1.657 53.690 52.037 -0.007 0.000 0.635 235 A CB -0.974 18.023 19.000 -0.006 0.000 0.810 235 A HN 0.483 nan 8.150 nan 0.000 0.446 236 G N -1.091 107.708 108.800 -0.001 0.000 2.408 236 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.217 236 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.217 236 G C 1.518 176.422 174.900 0.006 0.000 1.150 236 G CA 1.061 46.163 45.100 0.004 0.000 0.776 236 G HN 0.321 nan 8.290 nan 0.000 0.542 237 M N 0.502 120.103 119.600 0.003 0.000 2.117 237 M HA -0.048 4.431 4.480 -0.002 0.000 0.262 237 M C 2.761 179.062 176.300 0.002 0.000 1.065 237 M CA 0.848 56.149 55.300 0.003 0.000 1.114 237 M CB -0.815 31.783 32.600 -0.004 0.000 1.361 237 M HN 0.133 nan 8.290 nan 0.000 0.408 238 V N -0.001 119.912 119.914 -0.002 0.000 2.295 238 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 238 V C 2.421 178.512 176.094 -0.003 0.000 1.049 238 V CA 1.695 63.992 62.300 -0.004 0.000 1.024 238 V CB -0.713 31.105 31.823 -0.008 0.000 0.648 238 V HN 0.447 nan 8.190 nan 0.000 0.447 239 R N -0.376 120.123 120.500 -0.002 0.000 2.096 239 R HA -0.099 4.240 4.340 -0.002 0.000 0.235 239 R C 2.276 178.577 176.300 0.000 0.000 1.127 239 R CA 1.354 57.453 56.100 -0.002 0.000 0.968 239 R CB -0.424 29.875 30.300 -0.002 0.000 0.861 239 R HN 0.428 nan 8.270 nan 0.000 0.440 240 L N 0.664 121.890 121.223 0.005 0.000 2.141 240 L HA -0.153 4.186 4.340 -0.002 0.000 0.209 240 L C 2.039 178.911 176.870 0.003 0.000 1.094 240 L CA 0.954 55.800 54.840 0.010 0.000 0.763 240 L CB -0.464 41.610 42.059 0.024 0.000 0.908 240 L HN 0.298 nan 8.230 nan 0.000 0.437 241 N N 0.107 118.806 118.700 -0.002 0.000 2.223 241 N HA -0.169 4.570 4.740 -0.002 0.000 0.185 241 N C 1.836 177.341 175.510 -0.009 0.000 1.016 241 N CA 1.409 54.453 53.050 -0.010 0.000 0.863 241 N CB 0.081 38.560 38.487 -0.012 0.000 0.983 241 N HN 0.333 nan 8.380 nan 0.000 0.429 242 A N 0.799 123.616 122.820 -0.006 0.000 1.897 242 A HA -0.078 4.241 4.320 -0.002 0.000 0.215 242 A C 2.352 179.934 177.584 -0.004 0.000 1.181 242 A CA 1.652 53.686 52.037 -0.005 0.000 0.620 242 A CB -0.420 18.577 19.000 -0.005 0.000 0.821 242 A HN 0.424 nan 8.150 nan 0.000 0.443 243 S N -1.065 114.634 115.700 -0.003 0.000 2.470 243 S HA 0.087 4.556 4.470 -0.002 0.000 0.225 243 S C 1.092 175.691 174.600 -0.001 0.000 1.006 243 S CA 0.633 58.831 58.200 -0.003 0.000 0.934 243 S CB -0.513 62.683 63.200 -0.005 0.000 0.778 243 S HN 0.355 nan 8.310 nan 0.000 0.517 244 S N 3.503 119.204 115.700 0.001 0.000 2.505 244 S HA 0.338 4.806 4.470 -0.002 0.000 0.276 244 S C -1.363 173.238 174.600 0.002 0.000 1.274 244 S CA -1.389 56.813 58.200 0.004 0.000 1.053 244 S CB 1.018 64.222 63.200 0.007 0.000 0.919 244 S HN 0.311 nan 8.310 nan 0.000 0.490 245 P HA 0.205 nan 4.420 nan 0.000 0.245 245 P C -0.185 177.123 177.300 0.013 0.000 1.206 245 P CA 0.143 63.249 63.100 0.009 0.000 0.781 245 P CB 0.113 31.820 31.700 0.011 0.000 0.994 246 A N 1.827 124.650 122.820 0.005 0.000 2.330 246 A HA 0.647 4.966 4.320 -0.002 0.000 0.327 246 A C -2.570 174.986 177.584 -0.046 0.000 1.155 246 A CA -2.156 49.878 52.037 -0.004 0.000 0.803 246 A CB 0.652 19.653 19.000 0.001 0.000 1.208 246 A HN -0.075 nan 8.150 nan 0.000 0.477 247 P HA 0.241 nan 4.420 nan 0.000 0.269 247 P C -0.778 176.392 177.300 -0.216 0.000 1.209 247 P CA 0.358 63.357 63.100 -0.169 0.000 0.776 247 P CB 0.676 32.214 31.700 -0.270 0.000 0.876 248 I N 2.992 123.458 120.570 -0.174 0.000 2.377 248 I HA 0.401 4.570 4.170 -0.002 0.000 0.293 248 I C 0.627 176.640 176.117 -0.173 0.000 0.987 248 I CA -0.863 60.348 61.300 -0.149 0.000 1.185 248 I CB 1.596 39.554 38.000 -0.070 0.000 1.341 248 I HN 0.266 nan 8.210 nan 0.000 0.455 249 M N 5.824 125.309 119.600 -0.192 0.000 2.336 249 M HA 0.669 5.148 4.480 -0.002 0.000 0.342 249 M C -0.742 175.518 176.300 -0.065 0.000 1.128 249 M CA -0.435 54.772 55.300 -0.155 0.000 1.016 249 M CB 1.589 34.019 32.600 -0.283 0.000 1.665 249 M HN 0.669 nan 8.290 nan 0.000 0.445 250 A N 3.276 126.110 122.820 0.023 0.000 2.301 250 A HA 0.432 4.751 4.320 -0.002 0.000 0.298 250 A C -0.487 177.064 177.584 -0.054 0.000 1.185 250 A CA -0.404 51.610 52.037 -0.038 0.000 0.830 250 A CB 0.635 19.570 19.000 -0.108 0.000 1.112 250 A HN 0.974 nan 8.150 nan 0.000 0.508 251 D N 0.925 121.295 120.400 -0.051 0.000 3.106 251 D HA 0.023 4.662 4.640 -0.002 0.000 0.216 251 D C 1.248 177.542 176.300 -0.011 0.000 1.540 251 D CA 0.468 54.468 54.000 -0.001 0.000 1.389 251 D CB -0.211 40.622 40.800 0.054 0.000 1.080 251 D HN 0.412 nan 8.370 nan 0.000 0.270 252 E N 0.214 120.404 120.200 -0.016 0.000 2.265 252 E HA -0.017 4.332 4.350 -0.002 0.000 0.196 252 E C 1.907 178.472 176.600 -0.059 0.000 0.996 252 E CA 0.823 57.201 56.400 -0.037 0.000 0.832 252 E CB -0.111 29.520 29.700 -0.116 0.000 0.756 252 E HN 0.069 nan 8.360 nan 0.000 0.491 253 S N -0.042 115.608 115.700 -0.084 0.000 2.442 253 S HA -0.017 4.452 4.470 -0.002 0.000 0.236 253 S C 0.701 175.225 174.600 -0.127 0.000 1.007 253 S CA 0.496 58.635 58.200 -0.103 0.000 0.965 253 S CB -0.059 63.070 63.200 -0.118 0.000 0.773 253 S HN 0.185 nan 8.310 nan 0.000 0.504 254 I N 1.754 122.239 120.570 -0.142 0.000 2.291 254 I HA 0.196 4.365 4.170 -0.002 0.000 0.290 254 I C 0.450 176.535 176.117 -0.054 0.000 1.050 254 I CA 0.059 61.270 61.300 -0.148 0.000 1.245 254 I CB 0.986 38.851 38.000 -0.224 0.000 1.405 254 I HN 0.111 nan 8.210 nan 0.000 0.478 255 E N 5.038 125.220 120.200 -0.029 0.000 2.603 255 E HA 0.208 4.556 4.350 -0.002 0.000 0.211 255 E C -0.537 176.073 176.600 0.017 0.000 0.995 255 E CA -0.125 56.286 56.400 0.018 0.000 0.990 255 E CB 0.802 30.520 29.700 0.030 0.000 1.036 255 E HN 0.792 nan 8.360 nan 0.000 0.475 256 C N -4.096 115.203 119.300 -0.003 0.000 3.197 256 C HA 0.190 4.649 4.460 -0.002 0.000 0.343 256 C C 1.507 176.502 174.990 0.009 0.000 1.291 256 C CA -0.946 58.076 59.018 0.008 0.000 1.191 256 C CB 0.298 28.049 27.740 0.017 0.000 1.444 256 C HN -0.038 nan 8.230 nan 0.000 0.468 257 V N 1.176 121.106 119.914 0.026 0.000 2.407 257 V HA -0.161 3.958 4.120 -0.002 0.000 0.248 257 V C 2.506 178.649 176.094 0.081 0.000 1.055 257 V CA 2.803 65.133 62.300 0.050 0.000 1.049 257 V CB -0.803 31.050 31.823 0.051 0.000 0.662 257 V HN 0.990 nan 8.190 nan 0.000 0.455 258 E N 0.137 120.382 120.200 0.075 0.000 2.118 258 E HA -0.208 4.141 4.350 -0.002 0.000 0.195 258 E C 1.951 178.630 176.600 0.132 0.000 0.992 258 E CA 1.395 57.868 56.400 0.121 0.000 0.804 258 E CB -0.354 29.396 29.700 0.085 0.000 0.741 258 E HN 0.567 nan 8.360 nan 0.000 0.458 259 D N 0.081 120.511 120.400 0.049 0.000 2.123 259 D HA -0.149 4.490 4.640 -0.002 0.000 0.196 259 D C 1.856 178.129 176.300 -0.045 0.000 0.992 259 D CA 1.434 55.429 54.000 -0.008 0.000 0.833 259 D CB -0.353 40.413 40.800 -0.056 0.000 0.954 259 D HN 0.220 nan 8.370 nan 0.000 0.455 260 A N 0.525 123.321 122.820 -0.041 0.000 1.883 260 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 260 A C 2.126 179.826 177.584 0.192 0.000 1.186 260 A CA 1.265 53.276 52.037 -0.044 0.000 0.624 260 A CB -1.023 18.025 19.000 0.080 0.000 0.822 260 A HN 0.282 nan 8.150 nan 0.000 0.444 261 F N 1.397 121.408 119.950 0.101 0.000 2.102 261 F HA -0.192 4.334 4.527 -0.002 0.000 0.298 261 F C 1.852 177.708 175.800 0.094 0.000 1.105 261 F CA 2.142 60.206 58.000 0.107 0.000 1.239 261 F CB -0.776 38.263 39.000 0.065 0.000 0.991 261 F HN 0.318 nan 8.300 nan 0.000 0.474 262 N N 0.329 118.915 118.700 -0.190 0.000 2.166 262 N HA -0.170 4.569 4.740 -0.002 0.000 0.186 262 N C 1.915 177.305 175.510 -0.201 0.000 1.019 262 N CA 1.573 54.462 53.050 -0.268 0.000 0.856 262 N CB -0.270 38.190 38.487 -0.045 0.000 0.993 262 N HN 0.317 nan 8.380 nan 0.000 0.426 263 L N 0.319 121.492 121.223 -0.083 0.000 2.046 263 L HA -0.111 4.228 4.340 -0.002 0.000 0.208 263 L C 2.485 179.405 176.870 0.083 0.000 1.077 263 L CA 0.938 55.784 54.840 0.011 0.000 0.747 263 L CB -0.520 41.536 42.059 -0.004 0.000 0.896 263 L HN 0.230 nan 8.230 nan 0.000 0.432 264 A N 0.114 123.004 122.820 0.118 0.000 1.898 264 A HA -0.227 4.092 4.320 -0.002 0.000 0.216 264 A C 2.446 179.943 177.584 -0.146 0.000 1.181 264 A CA 1.639 53.686 52.037 0.016 0.000 0.620 264 A CB -0.552 18.465 19.000 0.027 0.000 0.819 264 A HN 0.357 nan 8.150 nan 0.000 0.442 265 R N -0.019 120.268 120.500 -0.355 0.000 2.081 265 R HA -0.157 4.182 4.340 -0.002 0.000 0.235 265 R C 1.821 178.021 176.300 -0.167 0.000 1.131 265 R CA 1.899 57.790 56.100 -0.348 0.000 0.960 265 R CB -0.258 29.673 30.300 -0.616 0.000 0.856 265 R HN 0.652 nan 8.270 nan 0.000 0.436 266 E N -1.214 118.903 120.200 -0.138 0.000 2.216 266 E HA 0.045 4.394 4.350 -0.002 0.000 0.192 266 E C 0.599 177.173 176.600 -0.042 0.000 0.988 266 E CA 0.554 56.911 56.400 -0.072 0.000 0.834 266 E CB 0.327 29.992 29.700 -0.059 0.000 0.772 266 E HN 0.636 nan 8.360 nan 0.000 0.479 267 G N 0.789 109.570 108.800 -0.033 0.000 2.203 267 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.231 267 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.231 267 G C 0.694 175.596 174.900 0.004 0.000 1.058 267 G CA 0.203 45.292 45.100 -0.017 0.000 0.781 267 G HN 0.370 nan 8.290 nan 0.000 0.496 268 A N -1.273 121.565 122.820 0.030 0.000 2.119 268 A HA 0.744 5.063 4.320 -0.002 0.000 0.216 268 A C 1.451 179.069 177.584 0.057 0.000 1.152 268 A CA 2.001 54.060 52.037 0.035 0.000 0.708 268 A CB 0.096 19.112 19.000 0.026 0.000 0.805 268 A HN 2.443 nan 8.150 nan 0.000 0.460 269 A N -1.632 121.247 122.820 0.098 0.000 2.599 269 A HA 0.537 4.856 4.320 -0.002 0.000 0.294 269 A C 0.464 178.051 177.584 0.005 0.000 1.055 269 A CA 0.315 52.398 52.037 0.078 0.000 0.683 269 A CB -0.066 19.035 19.000 0.169 0.000 1.278 269 A HN 0.792 nan 8.150 nan 0.000 0.412 270 S N -0.539 115.118 115.700 -0.071 0.000 2.556 270 S HA 0.439 4.908 4.470 -0.002 0.000 0.216 270 S C 0.164 174.655 174.600 -0.181 0.000 0.970 270 S CA 0.491 58.615 58.200 -0.127 0.000 0.912 270 S CB -0.154 62.990 63.200 -0.093 0.000 0.790 270 S HN 1.226 nan 8.310 nan 0.000 0.504 271 V N 2.055 121.867 119.914 -0.170 0.000 2.808 271 V HA 0.555 4.674 4.120 -0.002 0.000 0.308 271 V C -1.511 174.664 176.094 0.135 0.000 1.099 271 V CA -0.859 61.343 62.300 -0.164 0.000 0.920 271 V CB 1.843 33.386 31.823 -0.466 0.000 1.014 271 V HN 0.260 nan 8.190 nan 0.000 0.425 272 F N 2.251 122.181 119.950 -0.033 0.000 2.482 272 F HA 0.803 5.329 4.527 -0.002 0.000 0.331 272 F C 0.577 176.413 175.800 0.061 0.000 1.115 272 F CA -1.545 56.456 58.000 0.003 0.000 0.955 272 F CB 1.859 40.875 39.000 0.026 0.000 1.136 272 F HN 0.599 nan 8.300 nan 0.000 0.452 273 A N 4.735 127.702 122.820 0.244 0.000 2.363 273 A HA 0.664 4.983 4.320 -0.002 0.000 0.270 273 A C -0.679 177.008 177.584 0.173 0.000 1.121 273 A CA -0.433 51.769 52.037 0.275 0.000 0.800 273 A CB 0.212 19.366 19.000 0.256 0.000 1.052 273 A HN 0.733 nan 8.150 nan 0.000 0.493 274 L N 2.888 124.184 121.223 0.122 0.000 2.298 274 L HA 0.421 4.760 4.340 -0.002 0.000 0.284 274 L C -0.139 176.841 176.870 0.184 0.000 1.013 274 L CA -0.141 54.780 54.840 0.135 0.000 0.824 274 L CB 1.245 43.380 42.059 0.127 0.000 1.221 274 L HN 0.675 nan 8.230 nan 0.000 0.418 275 K N 4.133 124.602 120.400 0.115 0.000 2.463 275 K HA 0.330 4.649 4.320 -0.002 0.000 0.255 275 K C 1.017 177.594 176.600 -0.038 0.000 0.942 275 K CA -0.541 55.773 56.287 0.045 0.000 0.814 275 K CB 2.707 35.193 32.500 -0.024 0.000 1.122 275 K HN 0.594 nan 8.250 nan 0.000 0.425 276 I N -0.379 120.148 120.570 -0.072 0.000 2.361 276 I HA -0.201 3.968 4.170 -0.002 0.000 0.251 276 I C 1.826 177.813 176.117 -0.217 0.000 1.133 276 I CA 1.480 62.705 61.300 -0.125 0.000 1.413 276 I CB -0.188 37.722 38.000 -0.150 0.000 1.073 276 I HN 0.543 nan 8.210 nan 0.000 0.424 277 A N 1.564 124.165 122.820 -0.366 0.000 1.969 277 A HA -0.082 4.237 4.320 -0.002 0.000 0.218 277 A C 2.236 179.373 177.584 -0.746 0.000 1.169 277 A CA 1.218 52.810 52.037 -0.742 0.000 0.635 277 A CB -0.333 17.907 19.000 -1.267 0.000 0.810 277 A HN 0.343 nan 8.150 nan 0.000 0.445 278 K N 0.130 120.280 120.400 -0.417 0.000 2.305 278 K HA 0.073 4.392 4.320 -0.002 0.000 0.199 278 K C 0.945 177.499 176.600 -0.078 0.000 1.047 278 K CA 0.636 56.819 56.287 -0.173 0.000 0.976 278 K CB -0.227 32.238 32.500 -0.059 0.000 0.765 278 K HN 0.505 nan 8.250 nan 0.000 0.474 279 N N -0.289 118.361 118.700 -0.084 0.000 2.368 279 N HA 0.002 4.741 4.740 -0.002 0.000 0.178 279 N C 0.679 176.170 175.510 -0.032 0.000 1.076 279 N CA 0.977 54.007 53.050 -0.034 0.000 0.889 279 N CB 1.144 39.625 38.487 -0.010 0.000 1.040 279 N HN 0.304 nan 8.380 nan 0.000 0.463 280 G N 0.277 109.040 108.800 -0.061 0.000 2.155 280 G HA2 0.122 4.081 3.960 -0.002 0.000 0.135 280 G HA3 0.122 4.081 3.960 -0.002 0.000 0.135 280 G C 0.249 175.121 174.900 -0.045 0.000 1.023 280 G CA 0.053 45.129 45.100 -0.041 0.000 0.688 280 G HN 0.676 nan 8.290 nan 0.000 0.499 281 G N -1.526 107.233 108.800 -0.069 0.000 2.423 281 G HA2 0.362 4.321 3.960 -0.002 0.000 0.684 281 G HA3 0.362 4.321 3.960 -0.002 0.000 0.684 281 G C -1.359 173.504 174.900 -0.062 0.000 1.309 281 G CA 0.143 45.203 45.100 -0.067 0.000 0.950 281 G HN 0.315 nan 8.290 nan 0.000 0.587 282 P HA -0.087 nan 4.420 nan 0.000 0.216 282 P C 2.016 179.299 177.300 -0.029 0.000 1.153 282 P CA 1.662 64.717 63.100 -0.074 0.000 0.858 282 P CB 0.008 31.655 31.700 -0.089 0.000 0.789 283 R N -0.628 119.859 120.500 -0.022 0.000 2.075 283 R HA -0.001 4.338 4.340 -0.002 0.000 0.232 283 R C 2.339 178.645 176.300 0.010 0.000 1.126 283 R CA 1.473 57.571 56.100 -0.003 0.000 0.963 283 R CB -1.088 29.208 30.300 -0.008 0.000 0.858 283 R HN 0.132 nan 8.270 nan 0.000 0.435 284 A N 0.444 123.266 122.820 0.004 0.000 1.933 284 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 284 A C 2.086 179.689 177.584 0.033 0.000 1.175 284 A CA 1.763 53.808 52.037 0.014 0.000 0.628 284 A CB -0.682 18.320 19.000 0.002 0.000 0.814 284 A HN 0.261 nan 8.150 nan 0.000 0.444 285 T N 0.407 114.981 114.554 0.033 0.000 2.867 285 T HA -0.023 4.326 4.350 -0.002 0.000 0.268 285 T C 1.683 176.446 174.700 0.107 0.000 1.057 285 T CA 1.203 63.348 62.100 0.074 0.000 1.136 285 T CB -0.297 68.621 68.868 0.084 0.000 0.874 285 T HN 0.375 nan 8.240 nan 0.000 0.466 286 L N 0.251 121.524 121.223 0.084 0.000 2.217 286 L HA 0.022 4.361 4.340 -0.002 0.000 0.211 286 L C 2.828 179.748 176.870 0.083 0.000 1.107 286 L CA 0.984 55.879 54.840 0.092 0.000 0.783 286 L CB -0.360 41.739 42.059 0.067 0.000 0.919 286 L HN 0.162 nan 8.230 nan 0.000 0.442 287 R N -0.800 119.742 120.500 0.070 0.000 2.090 287 R HA -0.078 4.261 4.340 -0.002 0.000 0.228 287 R C 2.245 178.604 176.300 0.098 0.000 1.110 287 R CA 1.581 57.723 56.100 0.069 0.000 0.973 287 R CB -0.454 29.877 30.300 0.050 0.000 0.869 287 R HN 0.247 nan 8.270 nan 0.000 0.440 288 T N 1.036 115.656 114.554 0.110 0.000 2.788 288 T HA -0.116 4.233 4.350 -0.002 0.000 0.268 288 T C 1.885 176.700 174.700 0.192 0.000 1.044 288 T CA 1.403 63.594 62.100 0.153 0.000 1.139 288 T CB -0.140 68.806 68.868 0.130 0.000 0.867 288 T HN 0.357 nan 8.240 nan 0.000 0.454 289 A N 1.259 124.175 122.820 0.159 0.000 1.930 289 A HA 0.190 4.509 4.320 -0.002 0.000 0.217 289 A C 2.606 180.258 177.584 0.113 0.000 1.175 289 A CA 1.728 53.852 52.037 0.146 0.000 0.627 289 A CB -0.962 18.119 19.000 0.134 0.000 0.815 289 A HN 0.499 nan 8.150 nan 0.000 0.443 290 A N -0.050 122.831 122.820 0.102 0.000 1.930 290 A HA -0.051 4.267 4.320 -0.002 0.000 0.217 290 A C 2.101 179.739 177.584 0.089 0.000 1.175 290 A CA 1.447 53.532 52.037 0.080 0.000 0.627 290 A CB -0.561 18.480 19.000 0.068 0.000 0.815 290 A HN 0.493 nan 8.150 nan 0.000 0.443 291 I N -0.288 120.357 120.570 0.126 0.000 2.179 291 I HA -0.278 3.891 4.170 -0.002 0.000 0.242 291 I C 2.998 179.187 176.117 0.120 0.000 1.088 291 I CA 1.054 62.450 61.300 0.160 0.000 1.357 291 I CB -0.361 37.782 38.000 0.240 0.000 1.051 291 I HN 0.360 nan 8.210 nan 0.000 0.409 292 A N 0.652 123.536 122.820 0.107 0.000 1.877 292 A HA -0.243 4.076 4.320 -0.002 0.000 0.216 292 A C 2.196 179.738 177.584 -0.069 0.000 1.186 292 A CA 1.861 53.853 52.037 -0.075 0.000 0.620 292 A CB -0.685 18.269 19.000 -0.077 0.000 0.822 292 A HN 0.463 nan 8.150 nan 0.000 0.443 293 E N -0.210 119.990 120.200 -0.001 0.000 2.085 293 E HA -0.139 4.210 4.350 -0.002 0.000 0.194 293 E C 2.222 178.824 176.600 0.003 0.000 0.994 293 E CA 1.027 57.429 56.400 0.003 0.000 0.801 293 E CB -0.328 29.388 29.700 0.026 0.000 0.743 293 E HN 0.623 nan 8.360 nan 0.000 0.453 294 A N 1.115 123.949 122.820 0.023 0.000 2.019 294 A HA -0.006 4.313 4.320 -0.002 0.000 0.219 294 A C 2.201 179.797 177.584 0.020 0.000 1.164 294 A CA 1.450 53.505 52.037 0.031 0.000 0.644 294 A CB -0.247 18.786 19.000 0.056 0.000 0.805 294 A HN 0.264 nan 8.150 nan 0.000 0.449 295 A N -1.983 120.835 122.820 -0.004 0.000 2.308 295 A HA 0.449 4.768 4.320 -0.002 0.000 0.217 295 A C 1.625 179.172 177.584 -0.061 0.000 1.216 295 A CA 1.014 53.033 52.037 -0.030 0.000 0.864 295 A CB -0.708 18.258 19.000 -0.056 0.000 0.902 295 A HN 1.808 nan 8.150 nan 0.000 0.499 296 G N -0.425 108.342 108.800 -0.055 0.000 2.147 296 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.244 296 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.244 296 G C 0.021 174.872 174.900 -0.082 0.000 1.005 296 G CA 0.383 45.454 45.100 -0.049 0.000 0.713 296 G HN 0.467 nan 8.290 nan 0.000 0.515 297 I N 1.223 121.698 120.570 -0.158 0.000 2.385 297 I HA 0.501 4.670 4.170 -0.002 0.000 0.294 297 I C 1.409 177.441 176.117 -0.142 0.000 0.988 297 I CA -0.327 60.820 61.300 -0.256 0.000 1.265 297 I CB 1.393 39.011 38.000 -0.636 0.000 1.388 297 I HN 0.150 nan 8.210 nan 0.000 0.480 298 G N 6.421 115.202 108.800 -0.032 0.000 2.594 298 G HA2 0.451 4.410 3.960 -0.002 0.000 0.243 298 G HA3 0.451 4.410 3.960 -0.002 0.000 0.243 298 G C -0.509 174.478 174.900 0.146 0.000 1.229 298 G CA -0.473 44.723 45.100 0.160 0.000 0.843 298 G HN 0.459 nan 8.290 nan 0.000 0.578 299 L N 0.275 121.632 121.223 0.223 0.000 2.342 299 L HA 0.500 4.839 4.340 -0.002 0.000 0.271 299 L C -1.047 175.983 176.870 0.267 0.000 1.008 299 L CA -1.072 53.877 54.840 0.181 0.000 0.818 299 L CB 2.185 44.291 42.059 0.079 0.000 1.296 299 L HN 0.562 nan 8.230 nan 0.000 0.427 300 Y N 0.501 120.812 120.300 0.020 0.000 2.421 300 Y HA 0.581 5.130 4.550 -0.002 0.000 0.339 300 Y C 0.176 175.935 175.900 -0.235 0.000 0.996 300 Y CA -0.991 57.095 58.100 -0.022 0.000 1.046 300 Y CB 2.154 40.645 38.460 0.051 0.000 1.226 300 Y HN 0.551 nan 8.280 nan 0.000 0.445 301 G N 3.846 112.162 108.800 -0.806 0.000 2.519 301 G HA2 0.441 4.399 3.960 -0.002 0.000 0.306 301 G HA3 0.441 4.399 3.960 -0.002 0.000 0.306 301 G C 0.224 174.687 174.900 -0.728 0.000 0.965 301 G CA 0.102 44.479 45.100 -1.205 0.000 1.291 301 G HN 0.972 nan 8.290 nan 0.000 0.450 302 G N 0.375 108.981 108.800 -0.322 0.000 2.547 302 G HA2 0.591 4.549 3.960 -0.002 0.000 0.291 302 G HA3 0.591 4.549 3.960 -0.002 0.000 0.291 302 G C -0.403 174.492 174.900 -0.008 0.000 1.211 302 G CA -0.217 44.805 45.100 -0.130 0.000 0.950 302 G HN 0.702 nan 8.290 nan 0.000 0.504 303 T N -0.768 113.751 114.554 -0.059 0.000 2.868 303 T HA 0.448 4.796 4.350 -0.002 0.000 0.306 303 T C -0.024 174.586 174.700 -0.150 0.000 1.224 303 T CA -0.673 61.354 62.100 -0.121 0.000 1.012 303 T CB 1.464 70.190 68.868 -0.238 0.000 1.221 303 T HN 0.193 nan 8.240 nan 0.000 0.499 304 M N 3.552 123.047 119.600 -0.175 0.000 2.673 304 M HA 0.400 4.879 4.480 -0.002 0.000 0.334 304 M C 0.300 176.487 176.300 -0.189 0.000 1.211 304 M CA 0.090 55.274 55.300 -0.194 0.000 0.962 304 M CB -0.916 31.604 32.600 -0.133 0.000 1.343 304 M HN 0.715 nan 8.290 nan 0.000 0.511 305 L N 0.494 121.571 121.223 -0.243 0.000 3.598 305 L HA -0.251 4.088 4.340 -0.002 0.000 0.422 305 L C -0.243 176.524 176.870 -0.171 0.000 1.262 305 L CA 0.207 54.887 54.840 -0.267 0.000 0.889 305 L CB -1.779 40.139 42.059 -0.234 0.000 1.857 305 L HN 0.308 nan 8.230 nan 0.000 0.858 306 E N 0.168 120.281 120.200 -0.145 0.000 2.392 306 E HA 0.435 4.784 4.350 -0.002 0.000 0.259 306 E C 1.023 177.582 176.600 -0.068 0.000 1.108 306 E CA 0.713 57.060 56.400 -0.089 0.000 0.916 306 E CB 0.554 30.206 29.700 -0.082 0.000 0.989 306 E HN 0.281 nan 8.360 nan 0.000 0.432 307 G N 0.153 108.930 108.800 -0.039 0.000 2.489 307 G HA2 0.237 4.196 3.960 -0.002 0.000 0.271 307 G HA3 0.237 4.196 3.960 -0.002 0.000 0.271 307 G C 1.035 175.940 174.900 0.009 0.000 1.427 307 G CA -0.218 44.874 45.100 -0.013 0.000 1.057 307 G HN 0.580 nan 8.290 nan 0.000 0.532 308 G N -0.572 108.247 108.800 0.032 0.000 2.469 308 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.219 308 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.219 308 G C 1.698 176.609 174.900 0.018 0.000 1.150 308 G CA 1.113 46.239 45.100 0.043 0.000 0.763 308 G HN 0.461 nan 8.290 nan 0.000 0.561 309 I N 1.060 121.632 120.570 0.005 0.000 2.142 309 I HA -0.094 4.075 4.170 -0.002 0.000 0.240 309 I C 3.116 179.215 176.117 -0.030 0.000 1.078 309 I CA 1.210 62.503 61.300 -0.011 0.000 1.343 309 I CB -0.598 37.396 38.000 -0.011 0.000 1.046 309 I HN 0.250 nan 8.210 nan 0.000 0.405 310 G N -0.197 108.581 108.800 -0.037 0.000 2.422 310 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.218 310 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.218 310 G C 1.650 176.505 174.900 -0.076 0.000 1.140 310 G CA 1.249 46.312 45.100 -0.062 0.000 0.775 310 G HN 0.285 nan 8.290 nan 0.000 0.545 311 T N 1.112 115.637 114.554 -0.048 0.000 2.777 311 T HA 0.029 4.378 4.350 -0.002 0.000 0.266 311 T C 2.389 177.063 174.700 -0.042 0.000 1.040 311 T CA 0.617 62.694 62.100 -0.038 0.000 1.141 311 T CB -0.129 68.751 68.868 0.020 0.000 0.868 311 T HN 0.139 nan 8.240 nan 0.000 0.444 312 L N 0.622 121.838 121.223 -0.012 0.000 2.156 312 L HA 0.022 4.361 4.340 -0.002 0.000 0.208 312 L C 2.984 179.889 176.870 0.059 0.000 1.095 312 L CA 0.858 55.724 54.840 0.042 0.000 0.770 312 L CB -0.567 41.538 42.059 0.077 0.000 0.914 312 L HN 0.230 nan 8.230 nan 0.000 0.439 313 A N -0.543 122.251 122.820 -0.044 0.000 1.902 313 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 313 A C 2.503 179.975 177.584 -0.187 0.000 1.181 313 A CA 2.132 54.110 52.037 -0.098 0.000 0.623 313 A CB -0.545 18.388 19.000 -0.113 0.000 0.818 313 A HN 0.372 nan 8.150 nan 0.000 0.443 314 S N -0.114 115.419 115.700 -0.279 0.000 2.355 314 S HA -0.014 4.455 4.470 -0.002 0.000 0.222 314 S C 2.366 176.437 174.600 -0.881 0.000 1.031 314 S CA 1.158 58.981 58.200 -0.628 0.000 0.993 314 S CB -0.555 62.357 63.200 -0.480 0.000 0.859 314 S HN 0.809 nan 8.310 nan 0.000 0.453 315 A N 1.449 124.031 122.820 -0.397 0.000 1.883 315 A HA -0.211 4.108 4.320 -0.002 0.000 0.217 315 A C 1.791 179.255 177.584 -0.201 0.000 1.186 315 A CA 2.046 53.952 52.037 -0.219 0.000 0.624 315 A CB -1.075 17.862 19.000 -0.106 0.000 0.822 315 A HN 0.565 nan 8.150 nan 0.000 0.444 316 H N -0.543 118.417 119.070 -0.184 0.000 2.422 316 H HA 0.032 4.587 4.556 -0.002 0.000 0.298 316 H C 2.381 177.642 175.328 -0.111 0.000 1.098 316 H CA 1.645 57.624 56.048 -0.115 0.000 1.315 316 H CB -0.114 29.588 29.762 -0.099 0.000 1.382 316 H HN 0.539 nan 8.280 nan 0.000 0.523 317 A N 0.206 122.963 122.820 -0.106 0.000 1.897 317 A HA -0.098 4.221 4.320 -0.002 0.000 0.215 317 A C 1.622 179.244 177.584 0.063 0.000 1.181 317 A CA 1.103 53.094 52.037 -0.076 0.000 0.620 317 A CB -0.588 18.306 19.000 -0.177 0.000 0.821 317 A HN 0.294 nan 8.150 nan 0.000 0.443 318 F N 0.394 120.345 119.950 0.001 0.000 2.293 318 F HA -0.022 4.504 4.527 -0.002 0.000 0.300 318 F C 1.920 177.711 175.800 -0.015 0.000 1.086 318 F CA 0.064 58.059 58.000 -0.008 0.000 1.375 318 F CB -1.039 37.947 39.000 -0.024 0.000 1.045 318 F HN 0.096 nan 8.300 nan 0.000 0.516 319 L N -0.075 121.223 121.223 0.126 0.000 2.265 319 L HA -0.172 4.167 4.340 -0.002 0.000 0.215 319 L C 2.349 179.251 176.870 0.052 0.000 1.117 319 L CA 1.708 56.577 54.840 0.049 0.000 0.782 319 L CB -1.056 40.981 42.059 -0.038 0.000 0.914 319 L HN 0.287 nan 8.230 nan 0.000 0.441 320 T N -3.005 111.592 114.554 0.072 0.000 3.081 320 T HA 0.118 4.467 4.350 -0.002 0.000 0.255 320 T C 0.790 175.530 174.700 0.065 0.000 1.113 320 T CA -0.169 61.967 62.100 0.060 0.000 1.082 320 T CB -0.240 68.663 68.868 0.058 0.000 0.939 320 T HN 0.063 nan 8.240 nan 0.000 0.506 321 L N 2.792 124.068 121.223 0.088 0.000 2.410 321 L HA 0.299 4.638 4.340 -0.002 0.000 0.273 321 L C 1.865 178.763 176.870 0.046 0.000 1.152 321 L CA -0.482 54.401 54.840 0.073 0.000 0.855 321 L CB 0.355 42.465 42.059 0.086 0.000 1.129 321 L HN 0.126 nan 8.230 nan 0.000 0.463 322 N N 2.135 120.856 118.700 0.035 0.000 2.094 322 N HA -0.184 4.555 4.740 -0.002 0.000 0.191 322 N C 0.101 175.619 175.510 0.014 0.000 1.023 322 N CA 1.600 54.663 53.050 0.022 0.000 0.857 322 N CB 0.222 38.720 38.487 0.018 0.000 1.013 322 N HN 0.530 nan 8.380 nan 0.000 0.426 323 K N -0.799 119.609 120.400 0.013 0.000 2.550 323 K HA 0.376 4.695 4.320 -0.002 0.000 0.252 323 K C -1.954 174.646 176.600 -0.001 0.000 0.943 323 K CA -0.250 56.037 56.287 -0.001 0.000 0.806 323 K CB 0.995 33.489 32.500 -0.011 0.000 1.289 323 K HN 0.003 nan 8.250 nan 0.000 0.435 324 L N 4.143 125.357 121.223 -0.016 0.000 2.504 324 L HA 0.297 4.635 4.340 -0.002 0.000 0.249 324 L C 0.635 177.486 176.870 -0.030 0.000 1.120 324 L CA -0.296 54.533 54.840 -0.018 0.000 0.997 324 L CB 1.140 43.163 42.059 -0.060 0.000 1.349 324 L HN 0.753 nan 8.230 nan 0.000 0.439 325 S N 0.596 116.268 115.700 -0.047 0.000 2.402 325 S HA -0.182 4.287 4.470 -0.002 0.000 0.233 325 S C 0.849 175.142 174.600 -0.511 0.000 1.030 325 S CA 1.788 59.834 58.200 -0.257 0.000 1.003 325 S CB -0.154 62.897 63.200 -0.249 0.000 0.813 325 S HN 0.655 nan 8.310 nan 0.000 0.477 326 W N 1.947 123.278 121.300 0.052 0.000 3.102 326 W HA 0.303 4.962 4.660 -0.002 0.000 0.401 326 W C 0.217 176.861 176.519 0.209 0.000 1.070 326 W CA -0.545 56.862 57.345 0.103 0.000 1.921 326 W CB -0.218 29.286 29.460 0.073 0.000 1.118 326 W HN 0.130 nan 8.180 nan 0.000 0.647 327 D N -0.529 119.969 120.400 0.163 0.000 3.496 327 D HA -0.200 4.439 4.640 -0.002 0.000 0.238 327 D C 0.329 176.609 176.300 -0.032 0.000 1.707 327 D CA 1.725 55.768 54.000 0.072 0.000 1.150 327 D CB -1.058 39.788 40.800 0.077 0.000 0.759 327 D HN 0.119 nan 8.370 nan 0.000 0.936 328 T N -2.603 111.888 114.554 -0.105 0.000 2.841 328 T HA 0.598 4.947 4.350 -0.002 0.000 0.296 328 T C -0.572 174.028 174.700 -0.167 0.000 1.166 328 T CA -0.367 61.524 62.100 -0.348 0.000 1.007 328 T CB 2.189 70.952 68.868 -0.176 0.000 1.253 328 T HN 0.593 nan 8.240 nan 0.000 0.511 329 E N 1.261 121.326 120.200 -0.225 0.000 2.989 329 E HA 0.307 4.655 4.350 -0.002 0.000 0.207 329 E C -0.041 176.575 176.600 0.028 0.000 0.989 329 E CA -0.529 55.938 56.400 0.111 0.000 1.186 329 E CB -0.055 29.755 29.700 0.182 0.000 1.141 329 E HN 0.505 nan 8.360 nan 0.000 0.454 330 L N 2.312 123.593 121.223 0.097 0.000 2.511 330 L HA 0.182 4.521 4.340 -0.002 0.000 0.239 330 L C 0.079 177.100 176.870 0.251 0.000 1.400 330 L CA -0.194 54.703 54.840 0.095 0.000 1.226 330 L CB -0.799 41.361 42.059 0.169 0.000 1.475 330 L HN 0.434 nan 8.230 nan 0.000 0.428 331 F N -2.706 117.340 119.950 0.159 0.000 2.682 331 F HA 0.410 4.936 4.527 -0.002 0.000 0.308 331 F C 1.730 177.578 175.800 0.079 0.000 1.093 331 F CA -0.456 57.630 58.000 0.143 0.000 1.244 331 F CB -0.680 38.405 39.000 0.142 0.000 1.052 331 F HN 0.091 nan 8.300 nan 0.000 0.573 332 G N 2.297 110.907 108.800 -0.317 0.000 2.556 332 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.220 332 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.220 332 G C -0.667 174.239 174.900 0.011 0.000 1.156 332 G CA 1.283 46.248 45.100 -0.225 0.000 0.766 332 G HN 0.325 nan 8.290 nan 0.000 0.583 333 P HA 0.002 nan 4.420 nan 0.000 0.220 333 P C 1.797 179.188 177.300 0.152 0.000 1.148 333 P CA 0.619 63.804 63.100 0.142 0.000 0.803 333 P CB -0.084 31.761 31.700 0.241 0.000 0.782 334 L N -2.079 119.251 121.223 0.177 0.000 2.478 334 L HA -0.044 4.295 4.340 -0.002 0.000 0.223 334 L C 1.937 178.976 176.870 0.282 0.000 1.140 334 L CA 0.403 55.358 54.840 0.191 0.000 0.842 334 L CB -0.488 41.686 42.059 0.193 0.000 0.953 334 L HN 0.008 nan 8.230 nan 0.000 0.452 335 L N -0.373 120.994 121.223 0.239 0.000 2.375 335 L HA 0.141 4.480 4.340 -0.002 0.000 0.215 335 L C 0.733 177.654 176.870 0.086 0.000 1.108 335 L CA 0.927 55.865 54.840 0.162 0.000 0.830 335 L CB 0.067 42.146 42.059 0.032 0.000 0.959 335 L HN 0.031 nan 8.230 nan 0.000 0.457 336 L N -0.886 120.375 121.223 0.064 0.000 2.334 336 L HA 0.250 4.588 4.340 -0.002 0.000 0.277 336 L C 1.549 178.441 176.870 0.037 0.000 1.075 336 L CA 0.067 54.918 54.840 0.019 0.000 0.804 336 L CB 1.172 43.222 42.059 -0.015 0.000 1.174 336 L HN 0.098 nan 8.230 nan 0.000 0.438 337 T N -1.934 112.632 114.554 0.020 0.000 3.054 337 T HA 0.163 4.512 4.350 -0.002 0.000 0.259 337 T C 0.478 175.203 174.700 0.041 0.000 1.092 337 T CA 0.270 62.396 62.100 0.044 0.000 1.121 337 T CB 0.124 69.026 68.868 0.056 0.000 0.912 337 T HN 0.609 nan 8.240 nan 0.000 0.489 338 E N 0.237 120.431 120.200 -0.011 0.000 2.343 338 E HA 0.491 4.840 4.350 -0.002 0.000 0.278 338 E C -1.561 174.982 176.600 -0.095 0.000 0.910 338 E CA -0.753 55.645 56.400 -0.002 0.000 0.757 338 E CB 2.228 31.976 29.700 0.080 0.000 1.218 338 E HN 0.068 nan 8.360 nan 0.000 0.435 339 D N 0.966 121.362 120.400 -0.007 0.000 2.758 339 D HA 0.409 5.047 4.640 -0.002 0.000 0.279 339 D C 0.021 176.357 176.300 0.060 0.000 1.111 339 D CA -0.616 53.377 54.000 -0.012 0.000 1.109 339 D CB 1.449 42.264 40.800 0.026 0.000 1.428 339 D HN 0.501 nan 8.370 nan 0.000 0.586 340 I N -0.578 120.029 120.570 0.062 0.000 3.889 340 I HA 0.366 4.535 4.170 -0.002 0.000 0.332 340 I C -0.692 175.470 176.117 0.075 0.000 1.493 340 I CA -0.327 61.033 61.300 0.100 0.000 1.158 340 I CB 0.104 38.163 38.000 0.097 0.000 1.117 340 I HN -0.134 nan 8.210 nan 0.000 0.411 341 L N 1.288 122.549 121.223 0.065 0.000 2.309 341 L HA 0.615 4.954 4.340 -0.002 0.000 0.282 341 L C 1.489 178.393 176.870 0.056 0.000 1.036 341 L CA 0.063 54.934 54.840 0.053 0.000 0.806 341 L CB 1.726 43.814 42.059 0.047 0.000 1.220 341 L HN 0.156 nan 8.230 nan 0.000 0.429 342 A N 1.779 124.627 122.820 0.046 0.000 1.908 342 A HA -0.045 4.273 4.320 -0.002 0.000 0.218 342 A C 0.642 178.251 177.584 0.041 0.000 1.181 342 A CA 1.399 53.460 52.037 0.041 0.000 0.627 342 A CB -0.177 18.842 19.000 0.031 0.000 0.818 342 A HN 0.647 nan 8.150 nan 0.000 0.445 343 E N -0.316 119.908 120.200 0.039 0.000 2.224 343 E HA 0.398 4.747 4.350 -0.002 0.000 0.265 343 E C -2.797 173.832 176.600 0.049 0.000 0.878 343 E CA -2.208 54.216 56.400 0.040 0.000 0.759 343 E CB 1.777 31.495 29.700 0.030 0.000 1.164 343 E HN 0.273 nan 8.360 nan 0.000 0.414 344 P HA 0.322 nan 4.420 nan 0.000 0.274 344 P C -2.459 174.885 177.300 0.073 0.000 1.246 344 P CA -1.326 61.826 63.100 0.087 0.000 0.795 344 P CB -0.193 31.579 31.700 0.119 0.000 1.006 345 P HA 0.057 nan 4.420 nan 0.000 0.269 345 P C -0.607 176.641 177.300 -0.086 0.000 1.217 345 P CA 0.017 63.089 63.100 -0.047 0.000 0.783 345 P CB 0.224 31.856 31.700 -0.114 0.000 0.898 346 V N 3.328 123.150 119.914 -0.154 0.000 2.385 346 V HA 0.197 4.316 4.120 -0.002 0.000 0.269 346 V C -0.479 175.537 176.094 -0.130 0.000 1.043 346 V CA -0.024 62.234 62.300 -0.070 0.000 0.906 346 V CB -0.578 31.234 31.823 -0.018 0.000 0.995 346 V HN 0.395 nan 8.190 nan 0.000 0.467 347 Y N 5.124 125.496 120.300 0.120 0.000 2.393 347 Y HA 0.825 5.374 4.550 -0.002 0.000 0.341 347 Y C 0.417 176.363 175.900 0.077 0.000 0.988 347 Y CA -0.855 57.325 58.100 0.132 0.000 1.078 347 Y CB 1.850 40.355 38.460 0.075 0.000 1.203 347 Y HN 0.732 nan 8.280 nan 0.000 0.453 348 R N 0.898 121.566 120.500 0.280 0.000 2.728 348 R HA 0.278 4.617 4.340 -0.002 0.000 0.259 348 R C -1.870 174.508 176.300 0.131 0.000 1.057 348 R CA -0.913 55.243 56.100 0.094 0.000 0.908 348 R CB 1.004 31.286 30.300 -0.030 0.000 1.259 348 R HN 0.610 nan 8.270 nan 0.000 0.472 349 D N 2.867 123.192 120.400 -0.126 0.000 2.697 349 D HA -0.206 4.432 4.640 -0.002 0.000 0.235 349 D C -0.431 175.873 176.300 0.007 0.000 1.167 349 D CA 1.824 55.680 54.000 -0.240 0.000 0.656 349 D CB -0.755 40.038 40.800 -0.013 0.000 1.025 349 D HN 0.661 nan 8.370 nan 0.000 0.419 350 F N -3.141 116.874 119.950 0.108 0.000 2.871 350 F HA -0.310 4.216 4.527 -0.002 0.000 0.326 350 F C 0.774 176.517 175.800 -0.094 0.000 0.675 350 F CA 1.071 59.070 58.000 -0.001 0.000 1.188 350 F CB -2.197 36.798 39.000 -0.009 0.000 1.567 350 F HN 0.383 nan 8.300 nan 0.000 0.325 351 H N -1.035 118.127 119.070 0.154 0.000 2.907 351 H HA 0.773 5.327 4.556 -0.002 0.000 0.361 351 H C -0.839 174.496 175.328 0.012 0.000 1.194 351 H CA -1.180 54.886 56.048 0.030 0.000 1.152 351 H CB 1.541 31.169 29.762 -0.223 0.000 1.867 351 H HN 0.009 nan 8.280 nan 0.000 0.561 352 L N 1.527 122.752 121.223 0.003 0.000 2.287 352 L HA 0.391 4.730 4.340 -0.002 0.000 0.287 352 L C -1.133 175.563 176.870 -0.289 0.000 1.022 352 L CA -0.312 54.413 54.840 -0.193 0.000 0.814 352 L CB 0.357 42.312 42.059 -0.172 0.000 1.217 352 L HN 0.619 nan 8.230 nan 0.000 0.420 353 H N 3.748 122.741 119.070 -0.128 0.000 2.556 353 H HA 0.555 5.110 4.556 -0.002 0.000 0.310 353 H C -0.646 174.612 175.328 -0.117 0.000 1.057 353 H CA -0.499 55.497 56.048 -0.087 0.000 1.264 353 H CB 1.432 31.154 29.762 -0.066 0.000 1.404 353 H HN 0.439 nan 8.280 nan 0.000 0.462 354 V N 3.642 123.524 119.914 -0.053 0.000 2.407 354 V HA 0.206 4.324 4.120 -0.002 0.000 0.278 354 V C 0.551 176.609 176.094 -0.060 0.000 1.037 354 V CA -0.719 61.516 62.300 -0.108 0.000 0.900 354 V CB 1.141 32.806 31.823 -0.264 0.000 0.983 354 V HN 0.968 nan 8.190 nan 0.000 0.459 355 S N 4.447 120.136 115.700 -0.019 0.000 2.617 355 S HA 0.313 4.782 4.470 -0.002 0.000 0.259 355 S C 0.366 174.984 174.600 0.030 0.000 1.301 355 S CA -0.444 57.763 58.200 0.011 0.000 0.984 355 S CB 0.657 63.872 63.200 0.025 0.000 0.954 355 S HN 0.691 nan 8.310 nan 0.000 0.572 356 K N 0.432 120.853 120.400 0.034 0.000 2.498 356 K HA 0.366 4.685 4.320 -0.002 0.000 0.207 356 K C 0.359 176.990 176.600 0.051 0.000 1.033 356 K CA -0.160 56.155 56.287 0.046 0.000 1.138 356 K CB 0.304 32.819 32.500 0.025 0.000 0.860 356 K HN 0.664 nan 8.250 nan 0.000 0.490 357 A N 2.546 125.400 122.820 0.056 0.000 2.406 357 A HA 0.262 4.581 4.320 -0.002 0.000 0.243 357 A C -2.339 175.266 177.584 0.035 0.000 1.082 357 A CA -1.059 51.001 52.037 0.038 0.000 0.786 357 A CB -0.074 18.945 19.000 0.033 0.000 1.029 357 A HN -0.013 nan 8.150 nan 0.000 0.495 358 P HA 0.335 nan 4.420 nan 0.000 0.269 358 P C 1.056 178.331 177.300 -0.041 0.000 1.215 358 P CA 1.667 64.762 63.100 -0.009 0.000 0.780 358 P CB 0.494 32.188 31.700 -0.009 0.000 0.898 359 G N 1.645 110.399 108.800 -0.077 0.000 2.574 359 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.286 359 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.286 359 G C 0.583 175.325 174.900 -0.263 0.000 1.212 359 G CA 0.144 45.161 45.100 -0.139 0.000 0.979 359 G HN 0.508 nan 8.290 nan 0.000 0.557 360 L N 2.408 123.486 121.223 -0.242 0.000 2.627 360 L HA 0.359 4.698 4.340 -0.002 0.000 0.233 360 L C 2.170 178.999 176.870 -0.069 0.000 1.144 360 L CA 0.724 55.393 54.840 -0.285 0.000 0.892 360 L CB -0.619 41.337 42.059 -0.172 0.000 1.039 360 L HN 1.803 nan 8.230 nan 0.000 0.442 361 G N 1.568 110.345 108.800 -0.039 0.000 2.356 361 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.296 361 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.296 361 G C -0.182 174.730 174.900 0.019 0.000 1.022 361 G CA 0.864 45.975 45.100 0.018 0.000 0.961 361 G HN 0.378 nan 8.290 nan 0.000 0.510 362 L N -3.053 118.171 121.223 0.003 0.000 2.341 362 L HA 1.023 5.362 4.340 -0.002 0.000 0.254 362 L C -0.069 176.805 176.870 0.007 0.000 1.040 362 L CA -0.904 53.942 54.840 0.010 0.000 0.837 362 L CB 1.760 43.826 42.059 0.012 0.000 1.425 362 L HN 0.656 nan 8.230 nan 0.000 0.414 363 S N 0.099 115.808 115.700 0.014 0.000 2.538 363 S HA 0.675 5.144 4.470 -0.002 0.000 0.288 363 S C -0.576 174.037 174.600 0.023 0.000 1.108 363 S CA -0.740 57.468 58.200 0.015 0.000 0.971 363 S CB 1.326 64.535 63.200 0.015 0.000 1.041 363 S HN 0.879 nan 8.310 nan 0.000 0.483 364 L N 2.339 123.576 121.223 0.023 0.000 2.453 364 L HA 0.223 4.562 4.340 -0.002 0.000 0.272 364 L C -0.016 176.879 176.870 0.041 0.000 1.182 364 L CA 0.059 54.919 54.840 0.033 0.000 0.858 364 L CB 0.519 42.596 42.059 0.030 0.000 1.120 364 L HN 0.826 nan 8.230 nan 0.000 0.474 365 D N 4.265 124.699 120.400 0.057 0.000 2.468 365 D HA 0.014 4.653 4.640 -0.002 0.000 0.218 365 D C 0.930 177.274 176.300 0.073 0.000 1.155 365 D CA -0.203 53.836 54.000 0.065 0.000 0.924 365 D CB 0.812 41.664 40.800 0.087 0.000 1.029 365 D HN 0.474 nan 8.370 nan 0.000 0.515 366 E N 2.358 122.590 120.200 0.053 0.000 2.118 366 E HA -0.213 4.136 4.350 -0.002 0.000 0.195 366 E C 1.204 177.838 176.600 0.057 0.000 0.992 366 E CA 1.176 57.606 56.400 0.051 0.000 0.804 366 E CB 0.298 30.018 29.700 0.034 0.000 0.741 366 E HN 0.539 nan 8.360 nan 0.000 0.458 367 E N 0.627 120.855 120.200 0.047 0.000 2.051 367 E HA -0.110 4.239 4.350 -0.002 0.000 0.192 367 E C 2.146 178.782 176.600 0.061 0.000 0.991 367 E CA 0.994 57.415 56.400 0.034 0.000 0.799 367 E CB -0.190 29.511 29.700 0.003 0.000 0.748 367 E HN 0.156 nan 8.360 nan 0.000 0.449 368 R N -0.125 120.441 120.500 0.109 0.000 2.115 368 R HA -0.050 4.288 4.340 -0.002 0.000 0.230 368 R C 2.295 178.777 176.300 0.303 0.000 1.111 368 R CA 0.725 56.960 56.100 0.224 0.000 0.976 368 R CB -0.378 30.131 30.300 0.349 0.000 0.870 368 R HN 0.143 nan 8.270 nan 0.000 0.445 369 L N 0.887 122.235 121.223 0.207 0.000 2.017 369 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 369 L C 2.231 179.183 176.870 0.136 0.000 1.073 369 L CA 1.960 56.908 54.840 0.179 0.000 0.745 369 L CB -0.643 41.483 42.059 0.111 0.000 0.894 369 L HN 0.089 nan 8.230 nan 0.000 0.432 370 A N -1.193 121.686 122.820 0.099 0.000 1.933 370 A HA -0.239 4.080 4.320 -0.002 0.000 0.218 370 A C 2.238 179.856 177.584 0.057 0.000 1.175 370 A CA 1.810 53.886 52.037 0.066 0.000 0.628 370 A CB -1.082 17.951 19.000 0.055 0.000 0.814 370 A HN 0.561 nan 8.150 nan 0.000 0.444 371 F N -0.885 118.980 119.950 -0.143 0.000 2.187 371 F HA 0.034 4.560 4.527 -0.002 0.000 0.295 371 F C 1.538 177.138 175.800 -0.334 0.000 1.091 371 F CA 1.140 58.951 58.000 -0.314 0.000 1.308 371 F CB -0.115 38.550 39.000 -0.559 0.000 1.030 371 F HN 0.185 nan 8.300 nan 0.000 0.487 372 F N 0.994 120.942 119.950 -0.003 0.000 2.698 372 F HA 0.173 4.699 4.527 -0.002 0.000 0.295 372 F C 1.335 177.087 175.800 -0.080 0.000 1.124 372 F CA -0.088 57.853 58.000 -0.098 0.000 1.426 372 F CB -0.763 38.260 39.000 0.038 0.000 1.120 372 F HN -0.201 nan 8.300 nan 0.000 0.583 373 R N 1.366 121.930 120.500 0.108 0.000 2.784 373 R HA 0.277 4.616 4.340 -0.002 0.000 0.266 373 R C 0.174 176.479 176.300 0.009 0.000 1.044 373 R CA -0.376 55.760 56.100 0.060 0.000 1.151 373 R CB 0.605 30.934 30.300 0.049 0.000 1.037 373 R HN 0.107 nan 8.270 nan 0.000 0.478 374 R N 0.000 120.505 120.500 0.009 0.000 2.786 374 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 374 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 374 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535