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 3mgc_1_A DATA FIRST_RESID -31 DATA SEQUENCE SSHHHHHHSS GLVPRGSHMA SMXXXXXXXX XSMNGIRWIA SYPKAGNTWV DATA SEQUENCE RCMLAAYITG KAPQVWNDID AESLTLEAML RFGDLPPAEP MEPVLVKTHL DATA SEQUENCE KADVPVLGLY GEATAKVLYL VRNPRDMLLS SMRMASISRD DVEKSRDFAR DATA SEQUENCE KFIANEGLGW NXXXXXXGVG LGSWPENVRS WTESSSDRFP NADVLTMRYE DATA SEQUENCE DLKGDPVARF SEIVEFLDLG GPVDIEDIRR AVAASXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXQSLSFLGE DIESDYQELL DATA SEQUENCE HGDSGFALYA KQYGYAG 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 -31 S HA 0.000 nan 4.470 nan 0.000 0.327 -31 S C 0.000 174.587 174.600 -0.021 0.000 1.055 -31 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 -31 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 -30 S N 2.242 117.916 115.700 -0.043 0.000 2.608 -30 S HA 0.477 4.951 4.470 0.006 0.000 0.291 -30 S C -0.293 174.344 174.600 0.061 0.000 1.146 -30 S CA -0.588 57.588 58.200 -0.040 0.000 1.043 -30 S CB 0.566 63.623 63.200 -0.238 0.000 1.037 -30 S HN 0.730 nan 8.310 nan 0.000 0.520 -29 H N 2.745 121.825 119.070 0.016 0.000 2.972 -29 H HA -0.014 4.546 4.556 0.006 0.000 0.343 -29 H C 1.269 176.661 175.328 0.106 0.000 1.054 -29 H CA 0.605 56.663 56.048 0.018 0.000 1.412 -29 H CB 0.487 30.223 29.762 -0.043 0.000 1.385 -29 H HN 0.830 nan 8.280 nan 0.000 0.600 -28 H N 3.866 122.834 119.070 -0.170 0.000 2.567 -28 H HA -0.068 4.492 4.556 0.006 0.000 0.276 -28 H C 0.362 175.955 175.328 0.442 0.000 1.016 -28 H CA 0.866 56.947 56.048 0.055 0.000 1.186 -28 H CB -0.312 29.365 29.762 -0.141 0.000 1.351 -28 H HN 0.702 nan 8.280 nan 0.000 0.605 -27 H N -0.193 119.179 119.070 0.502 0.000 2.528 -27 H HA 0.063 4.623 4.556 0.006 0.000 0.282 -27 H C 1.543 177.088 175.328 0.361 0.000 1.097 -27 H CA 0.141 56.471 56.048 0.471 0.000 1.121 -27 H CB 0.259 30.172 29.762 0.252 0.000 1.590 -27 H HN 0.659 nan 8.280 nan 0.000 0.553 -26 H N -0.276 119.087 119.070 0.490 0.000 2.319 -26 H HA -0.210 4.350 4.556 0.006 0.000 0.299 -26 H C 2.004 177.463 175.328 0.219 0.000 1.092 -26 H CA 1.942 58.149 56.048 0.266 0.000 1.302 -26 H CB -0.735 29.145 29.762 0.196 0.000 1.373 -26 H HN 0.636 nan 8.280 nan 0.000 0.497 -25 H N -1.004 117.668 119.070 -0.664 0.000 2.538 -25 H HA -0.152 4.408 4.556 0.006 0.000 0.294 -25 H C 1.078 176.220 175.328 -0.309 0.000 1.083 -25 H CA 1.296 57.065 56.048 -0.464 0.000 1.233 -25 H CB -0.510 28.939 29.762 -0.521 0.000 1.360 -25 H HN 0.572 nan 8.280 nan 0.000 0.571 -24 H N 0.056 118.871 119.070 -0.425 0.000 2.551 -24 H HA 0.254 4.814 4.556 0.006 0.000 0.266 -24 H C 0.169 175.408 175.328 -0.149 0.000 0.977 -24 H CA 0.391 56.256 56.048 -0.306 0.000 1.163 -24 H CB 0.604 30.168 29.762 -0.330 0.000 1.381 -24 H HN 0.287 nan 8.280 nan 0.000 0.581 -23 S N -0.478 115.219 115.700 -0.005 0.000 2.503 -23 S HA 0.116 4.590 4.470 0.006 0.000 0.301 -23 S C 1.243 175.844 174.600 0.002 0.000 1.087 -23 S CA -0.499 57.703 58.200 0.004 0.000 1.042 -23 S CB 2.687 65.899 63.200 0.020 0.000 1.043 -23 S HN 0.224 nan 8.310 nan 0.000 0.489 -22 S N 2.625 118.324 115.700 -0.003 0.000 2.368 -22 S HA -0.024 4.450 4.470 0.006 0.000 0.225 -22 S C 1.767 176.378 174.600 0.019 0.000 1.030 -22 S CA 1.966 60.165 58.200 -0.001 0.000 0.999 -22 S CB -0.873 62.322 63.200 -0.007 0.000 0.844 -22 S HN 1.592 nan 8.310 nan 0.000 0.459 -21 G N 0.212 109.025 108.800 0.021 0.000 2.196 -21 G HA2 -0.255 3.709 3.960 0.006 0.000 0.268 -21 G HA3 -0.255 3.709 3.960 0.006 0.000 0.268 -21 G C 0.048 174.959 174.900 0.018 0.000 0.975 -21 G CA 0.657 45.773 45.100 0.028 0.000 0.648 -21 G HN 0.578 nan 8.290 nan 0.000 0.538 -20 L N 0.395 121.625 121.223 0.011 0.000 2.367 -20 L HA 0.569 4.912 4.340 0.006 0.000 0.275 -20 L C 0.243 177.117 176.870 0.006 0.000 1.129 -20 L CA -0.440 54.404 54.840 0.008 0.000 0.839 -20 L CB 1.460 43.522 42.059 0.004 0.000 1.133 -20 L HN -0.015 nan 8.230 nan 0.000 0.453 -19 V N 3.297 123.215 119.914 0.006 0.000 2.777 -19 V HA 0.392 4.516 4.120 0.006 0.000 0.306 -19 V C -1.861 174.236 176.094 0.004 0.000 1.112 -19 V CA -1.198 61.104 62.300 0.004 0.000 0.917 -19 V CB 1.913 33.738 31.823 0.003 0.000 1.018 -19 V HN 0.729 nan 8.190 nan 0.000 0.426 -18 P HA 0.464 nan 4.420 nan 0.000 0.274 -18 P C -0.526 176.777 177.300 0.005 0.000 1.237 -18 P CA -0.627 62.475 63.100 0.003 0.000 0.793 -18 P CB 0.802 32.503 31.700 0.002 0.000 0.977 -17 R N -0.096 120.407 120.500 0.005 0.000 2.490 -17 R HA 0.563 4.907 4.340 0.006 0.000 0.280 -17 R C 0.725 177.032 176.300 0.012 0.000 1.077 -17 R CA -0.085 56.020 56.100 0.008 0.000 1.065 -17 R CB 0.694 30.998 30.300 0.008 0.000 1.003 -17 R HN 0.706 nan 8.270 nan 0.000 0.470 -16 G N 0.114 108.925 108.800 0.019 0.000 2.788 -16 G HA2 0.527 4.491 3.960 0.006 0.000 0.293 -16 G HA3 0.527 4.491 3.960 0.006 0.000 0.293 -16 G C -1.135 173.795 174.900 0.049 0.000 1.305 -16 G CA -0.537 44.578 45.100 0.025 0.000 1.005 -16 G HN 0.491 nan 8.290 nan 0.000 0.496 -15 S N -1.186 114.546 115.700 0.054 0.000 2.568 -15 S HA 0.402 4.876 4.470 0.006 0.000 0.293 -15 S C 0.452 175.117 174.600 0.107 0.000 1.089 -15 S CA -0.737 57.517 58.200 0.090 0.000 0.945 -15 S CB 1.634 64.834 63.200 -0.001 0.000 1.077 -15 S HN 0.842 nan 8.310 nan 0.000 0.485 -14 H N 0.734 119.795 119.070 -0.014 0.000 2.562 -14 H HA 0.288 4.848 4.556 0.006 0.000 0.267 -14 H C 0.880 176.201 175.328 -0.013 0.000 0.959 -14 H CA 0.407 56.447 56.048 -0.013 0.000 1.204 -14 H CB -0.237 29.516 29.762 -0.015 0.000 1.430 -14 H HN 0.527 nan 8.280 nan 0.000 0.545 -13 M N 0.532 119.845 119.600 -0.478 0.000 2.510 -13 M HA 0.399 4.883 4.480 0.006 0.000 0.256 -13 M C 0.651 176.851 176.300 -0.166 0.000 1.132 -13 M CA 0.502 55.579 55.300 -0.371 0.000 1.105 -13 M CB 0.793 33.139 32.600 -0.424 0.000 1.375 -13 M HN 0.312 nan 8.290 nan 0.000 0.477 -12 A N -0.687 122.065 122.820 -0.112 0.000 2.587 -12 A HA 0.793 5.116 4.320 0.006 0.000 0.293 -12 A C -0.800 176.764 177.584 -0.034 0.000 1.087 -12 A CA -0.642 51.357 52.037 -0.063 0.000 0.692 -12 A CB 1.479 20.444 19.000 -0.059 0.000 1.291 -12 A HN 0.052 nan 8.150 nan 0.000 0.407 -11 S N 1.002 116.688 115.700 -0.024 0.000 2.689 -11 S HA 0.918 5.391 4.470 0.006 0.000 0.306 -11 S C -0.365 174.229 174.600 -0.011 0.000 1.104 -11 S CA -0.448 57.744 58.200 -0.013 0.000 0.973 -11 S CB 0.888 64.082 63.200 -0.010 0.000 1.121 -11 S HN 1.012 nan 8.310 nan 0.000 0.523 1 M N 2.207 121.767 119.600 -0.067 0.000 2.211 1 M HA 0.530 5.014 4.480 0.006 0.000 0.356 1 M C 0.108 176.361 176.300 -0.078 0.000 1.216 1 M CA -0.489 54.770 55.300 -0.068 0.000 1.134 1 M CB 0.185 32.740 32.600 -0.074 0.000 1.564 1 M HN 0.750 nan 8.290 nan 0.000 0.463 2 N N 2.017 120.678 118.700 -0.065 0.000 2.399 2 N HA 0.758 5.502 4.740 0.006 0.000 0.250 2 N C -0.003 175.453 175.510 -0.090 0.000 1.272 2 N CA 0.316 53.322 53.050 -0.073 0.000 0.928 2 N CB 0.805 39.261 38.487 -0.052 0.000 1.158 2 N HN 1.145 nan 8.380 nan 0.000 0.463 3 G N -1.291 107.440 108.800 -0.115 0.000 2.340 3 G HA2 0.145 4.109 3.960 0.006 0.000 0.527 3 G HA3 0.145 4.109 3.960 0.006 0.000 0.527 3 G C -1.377 173.371 174.900 -0.254 0.000 1.381 3 G CA -0.871 44.140 45.100 -0.148 0.000 1.001 3 G HN 0.518 nan 8.290 nan 0.000 0.626 4 I N 0.086 120.435 120.570 -0.368 0.000 2.474 4 I HA 0.470 4.644 4.170 0.006 0.000 0.287 4 I C 0.754 176.455 176.117 -0.693 0.000 1.048 4 I CA -0.579 60.319 61.300 -0.670 0.000 1.383 4 I CB 1.239 38.586 38.000 -1.087 0.000 1.412 4 I HN 0.448 nan 8.210 nan 0.000 0.531 5 R N 5.267 125.375 120.500 -0.653 0.000 2.272 5 R HA 0.291 4.635 4.340 0.006 0.000 0.323 5 R C -1.412 174.608 176.300 -0.466 0.000 1.002 5 R CA -0.302 55.530 56.100 -0.447 0.000 0.900 5 R CB 0.422 30.559 30.300 -0.271 0.000 1.151 5 R HN 0.408 nan 8.270 nan 0.000 0.507 6 W N 4.882 126.120 121.300 -0.103 0.000 2.356 6 W HA 0.276 4.939 4.660 0.006 0.000 0.311 6 W C -0.112 176.322 176.519 -0.142 0.000 1.328 6 W CA -0.709 56.566 57.345 -0.117 0.000 1.251 6 W CB 0.391 29.810 29.460 -0.069 0.000 1.280 6 W HN 0.294 nan 8.180 nan 0.000 0.524 7 I N 4.584 125.184 120.570 0.049 0.000 2.282 7 I HA 0.303 4.477 4.170 0.006 0.000 0.290 7 I C 0.462 176.484 176.117 -0.159 0.000 1.090 7 I CA -0.282 60.995 61.300 -0.038 0.000 1.231 7 I CB -0.118 37.862 38.000 -0.033 0.000 1.434 7 I HN 0.445 nan 8.210 nan 0.000 0.487 8 A N 5.055 127.696 122.820 -0.298 0.000 2.318 8 A HA 0.912 5.236 4.320 0.006 0.000 0.324 8 A C -0.070 177.204 177.584 -0.517 0.000 1.170 8 A CA -0.282 51.421 52.037 -0.556 0.000 0.810 8 A CB 0.985 19.109 19.000 -1.460 0.000 1.198 8 A HN 0.624 nan 8.150 nan 0.000 0.484 9 S N 1.565 117.045 115.700 -0.367 0.000 2.588 9 S HA 0.608 5.082 4.470 0.006 0.000 0.269 9 S C -0.905 173.785 174.600 0.151 0.000 1.157 9 S CA -0.649 57.366 58.200 -0.309 0.000 0.824 9 S CB 0.354 63.419 63.200 -0.225 0.000 1.126 9 S HN 0.683 nan 8.310 nan 0.000 0.464 10 Y N 1.898 122.238 120.300 0.067 0.000 2.469 10 Y HA 0.320 4.874 4.550 0.006 0.000 0.353 10 Y C -2.220 173.793 175.900 0.189 0.000 1.269 10 Y CA -0.675 57.546 58.100 0.202 0.000 1.504 10 Y CB -0.023 38.584 38.460 0.245 0.000 1.369 10 Y HN 0.498 nan 8.280 nan 0.000 0.654 11 P HA -0.068 nan 4.420 nan 0.000 0.266 11 P C -0.477 176.782 177.300 -0.068 0.000 1.193 11 P CA 0.711 63.621 63.100 -0.316 0.000 0.770 11 P CB 0.360 31.767 31.700 -0.488 0.000 0.836 12 K N 0.223 120.585 120.400 -0.064 0.000 3.048 12 K HA -0.220 4.104 4.320 0.006 0.000 0.274 12 K C 0.369 176.861 176.600 -0.180 0.000 1.098 12 K CA 1.407 57.633 56.287 -0.102 0.000 0.807 12 K CB -2.497 29.938 32.500 -0.108 0.000 1.217 12 K HN 0.627 nan 8.250 nan 0.000 0.477 13 A N -0.681 122.080 122.820 -0.097 0.000 2.793 13 A HA 0.598 4.922 4.320 0.006 0.000 0.301 13 A C 1.386 178.887 177.584 -0.138 0.000 1.172 13 A CA 0.966 52.910 52.037 -0.155 0.000 0.973 13 A CB 0.248 19.252 19.000 0.007 0.000 1.164 13 A HN 0.829 nan 8.150 nan 0.000 0.542 14 G N 1.282 110.009 108.800 -0.122 0.000 2.308 14 G HA2 -0.353 3.611 3.960 0.006 0.000 0.221 14 G HA3 -0.353 3.611 3.960 0.006 0.000 0.221 14 G C 1.058 176.041 174.900 0.138 0.000 1.032 14 G CA 0.647 45.836 45.100 0.148 0.000 0.623 14 G HN 0.955 nan 8.290 nan 0.000 0.506 15 N N 1.298 120.020 118.700 0.037 0.000 2.381 15 N HA 0.017 4.760 4.740 0.006 0.000 0.182 15 N C 1.673 177.210 175.510 0.045 0.000 1.025 15 N CA 2.480 55.525 53.050 -0.008 0.000 0.888 15 N CB -1.053 37.357 38.487 -0.129 0.000 0.965 15 N HN 0.435 nan 8.380 nan 0.000 0.438 16 T N -0.388 114.231 114.554 0.109 0.000 2.770 16 T HA -0.102 4.252 4.350 0.006 0.000 0.263 16 T C 1.145 175.971 174.700 0.210 0.000 1.039 16 T CA 0.973 63.155 62.100 0.135 0.000 1.142 16 T CB -0.427 68.525 68.868 0.140 0.000 0.868 16 T HN 0.361 nan 8.240 nan 0.000 0.435 17 W N 2.179 123.498 121.300 0.033 0.000 2.335 17 W HA -0.143 4.521 4.660 0.007 0.000 0.311 17 W C 2.055 178.568 176.519 -0.010 0.000 1.213 17 W CA 0.361 57.719 57.345 0.021 0.000 1.274 17 W CB -1.049 28.451 29.460 0.067 0.000 1.148 17 W HN 0.028 nan 8.180 nan 0.000 0.498 18 V N 1.258 121.187 119.914 0.025 0.000 2.427 18 V HA -0.262 3.861 4.120 0.006 0.000 0.248 18 V C 2.438 178.550 176.094 0.029 0.000 1.051 18 V CA 2.299 64.547 62.300 -0.086 0.000 1.048 18 V CB -1.027 30.786 31.823 -0.016 0.000 0.666 18 V HN 0.050 nan 8.190 nan 0.000 0.456 19 R N -0.070 120.466 120.500 0.061 0.000 2.120 19 R HA -0.111 4.233 4.340 0.006 0.000 0.234 19 R C 2.053 178.409 176.300 0.092 0.000 1.123 19 R CA 2.043 58.185 56.100 0.070 0.000 0.975 19 R CB -1.243 29.089 30.300 0.054 0.000 0.866 19 R HN 0.528 nan 8.270 nan 0.000 0.446 20 C N -0.462 118.904 119.300 0.111 0.000 2.500 20 C HA 0.110 4.574 4.460 0.006 0.000 0.279 20 C C 2.537 177.572 174.990 0.076 0.000 1.288 20 C CA 0.645 59.735 59.018 0.121 0.000 1.710 20 C CB -0.714 27.127 27.740 0.169 0.000 2.052 20 C HN 0.547 nan 8.230 nan 0.000 0.488 21 M N 0.247 119.828 119.600 -0.032 0.000 2.108 21 M HA -0.164 4.320 4.480 0.006 0.000 0.261 21 M C 2.116 178.447 176.300 0.051 0.000 1.066 21 M CA 1.741 56.892 55.300 -0.250 0.000 1.107 21 M CB -0.486 31.472 32.600 -1.071 0.000 1.356 21 M HN 0.391 nan 8.290 nan 0.000 0.406 22 L N -0.240 121.107 121.223 0.205 0.000 1.989 22 L HA -0.224 4.120 4.340 0.006 0.000 0.211 22 L C 2.869 179.881 176.870 0.236 0.000 1.071 22 L CA 1.390 56.417 54.840 0.311 0.000 0.749 22 L CB -0.911 41.263 42.059 0.192 0.000 0.890 22 L HN 0.321 nan 8.230 nan 0.000 0.431 23 A N 0.117 123.031 122.820 0.157 0.000 1.884 23 A HA -0.324 4.000 4.320 0.006 0.000 0.219 23 A C 2.523 180.178 177.584 0.119 0.000 1.197 23 A CA 2.361 54.474 52.037 0.125 0.000 0.637 23 A CB -1.039 18.037 19.000 0.126 0.000 0.827 23 A HN 0.467 nan 8.150 nan 0.000 0.450 24 A N -1.740 121.157 122.820 0.128 0.000 1.903 24 A HA -0.209 4.114 4.320 0.006 0.000 0.219 24 A C 2.179 179.852 177.584 0.148 0.000 1.191 24 A CA 2.063 54.168 52.037 0.113 0.000 0.638 24 A CB -0.914 18.141 19.000 0.092 0.000 0.823 24 A HN 0.795 nan 8.150 nan 0.000 0.451 25 Y N 0.294 120.658 120.300 0.106 0.000 2.089 25 Y HA -0.168 4.386 4.550 0.006 0.000 0.282 25 Y C 2.154 178.081 175.900 0.045 0.000 1.139 25 Y CA 1.956 60.124 58.100 0.113 0.000 1.123 25 Y CB -0.325 38.257 38.460 0.204 0.000 0.980 25 Y HN 0.265 nan 8.280 nan 0.000 0.493 26 I N -1.107 119.550 120.570 0.144 0.000 2.226 26 I HA -0.297 3.876 4.170 0.006 0.000 0.245 26 I C 1.906 177.983 176.117 -0.067 0.000 1.100 26 I CA 1.934 63.241 61.300 0.011 0.000 1.374 26 I CB -0.485 37.555 38.000 0.067 0.000 1.057 26 I HN 0.248 nan 8.210 nan 0.000 0.413 27 T N -1.106 113.420 114.554 -0.046 0.000 3.018 27 T HA 0.255 4.609 4.350 0.006 0.000 0.246 27 T C 1.460 176.133 174.700 -0.045 0.000 1.026 27 T CA 0.814 62.864 62.100 -0.084 0.000 1.081 27 T CB 0.880 69.670 68.868 -0.130 0.000 0.970 27 T HN 0.570 nan 8.240 nan 0.000 0.475 28 G N 1.540 110.326 108.800 -0.023 0.000 2.258 28 G HA2 -0.231 3.733 3.960 0.006 0.000 0.233 28 G HA3 -0.231 3.733 3.960 0.006 0.000 0.233 28 G C 0.171 175.071 174.900 -0.000 0.000 1.006 28 G CA 0.123 45.212 45.100 -0.019 0.000 0.620 28 G HN 0.549 nan 8.290 nan 0.000 0.511 29 K N 0.156 120.563 120.400 0.011 0.000 2.502 29 K HA 0.868 5.192 4.320 0.006 0.000 0.254 29 K C 0.203 176.833 176.600 0.050 0.000 0.947 29 K CA -0.018 56.268 56.287 -0.003 0.000 0.834 29 K CB 1.500 33.929 32.500 -0.117 0.000 1.112 29 K HN 1.665 nan 8.250 nan 0.000 0.427 30 A N 4.251 127.105 122.820 0.057 0.000 2.462 30 A HA 0.487 4.811 4.320 0.006 0.000 0.243 30 A C -1.308 176.339 177.584 0.106 0.000 1.076 30 A CA -0.870 51.220 52.037 0.087 0.000 0.773 30 A CB -0.562 18.486 19.000 0.080 0.000 1.010 30 A HN 0.692 nan 8.150 nan 0.000 0.493 31 P HA 0.098 nan 4.420 nan 0.000 0.272 31 P C -0.854 176.535 177.300 0.148 0.000 1.240 31 P CA -0.192 63.007 63.100 0.164 0.000 0.791 31 P CB 0.455 32.260 31.700 0.175 0.000 0.978 32 Q N 0.496 120.390 119.800 0.157 0.000 2.423 32 Q HA 0.293 4.636 4.340 0.006 0.000 0.235 32 Q C -0.795 175.334 176.000 0.216 0.000 1.100 32 Q CA -0.345 55.575 55.803 0.194 0.000 0.908 32 Q CB 0.712 29.558 28.738 0.180 0.000 1.312 32 Q HN 0.196 nan 8.270 nan 0.000 0.497 33 V N 3.235 123.296 119.914 0.244 0.000 2.284 33 V HA 0.107 4.230 4.120 0.006 0.000 0.274 33 V C -0.017 176.263 176.094 0.310 0.000 1.023 33 V CA -0.565 61.870 62.300 0.225 0.000 0.808 33 V CB 0.319 32.232 31.823 0.150 0.000 1.035 33 V HN 0.822 nan 8.190 nan 0.000 0.445 34 W N 3.260 124.567 121.300 0.012 0.000 2.518 34 W HA 0.089 4.753 4.660 0.007 0.000 0.273 34 W C 0.992 177.505 176.519 -0.009 0.000 1.247 34 W CA 0.309 57.653 57.345 -0.002 0.000 1.288 34 W CB -0.245 29.214 29.460 -0.002 0.000 1.107 34 W HN 0.841 nan 8.180 nan 0.000 0.586 35 N N -3.033 115.803 118.700 0.228 0.000 3.339 35 N HA 0.049 4.792 4.740 0.006 0.000 0.275 35 N C -0.205 175.356 175.510 0.084 0.000 1.514 35 N CA -0.392 52.734 53.050 0.126 0.000 0.879 35 N CB 0.351 38.918 38.487 0.134 0.000 1.557 35 N HN -0.382 nan 8.380 nan 0.000 0.524 36 D N -0.201 120.227 120.400 0.047 0.000 2.219 36 D HA 0.061 4.705 4.640 0.006 0.000 0.205 36 D C 1.412 177.735 176.300 0.038 0.000 0.970 36 D CA 0.915 54.933 54.000 0.030 0.000 0.851 36 D CB -0.103 40.694 40.800 -0.005 0.000 0.943 36 D HN 0.525 nan 8.370 nan 0.000 0.488 37 I N 0.729 121.323 120.570 0.040 0.000 2.202 37 I HA -0.209 3.965 4.170 0.006 0.000 0.242 37 I C 1.792 177.936 176.117 0.045 0.000 1.091 37 I CA 0.901 62.222 61.300 0.035 0.000 1.368 37 I CB -0.182 37.833 38.000 0.025 0.000 1.058 37 I HN -0.139 nan 8.210 nan 0.000 0.410 38 D N 1.534 121.966 120.400 0.052 0.000 2.092 38 D HA -0.177 4.467 4.640 0.006 0.000 0.193 38 D C 2.287 178.635 176.300 0.080 0.000 0.994 38 D CA 1.803 55.838 54.000 0.058 0.000 0.828 38 D CB -0.299 40.547 40.800 0.078 0.000 0.963 38 D HN 0.317 nan 8.370 nan 0.000 0.450 39 A N 0.700 123.574 122.820 0.089 0.000 1.978 39 A HA -0.234 4.090 4.320 0.006 0.000 0.220 39 A C 2.072 179.720 177.584 0.106 0.000 1.170 39 A CA 1.727 53.824 52.037 0.101 0.000 0.636 39 A CB -0.570 18.491 19.000 0.102 0.000 0.810 39 A HN 0.259 nan 8.150 nan 0.000 0.448 40 E N -0.004 120.252 120.200 0.094 0.000 2.274 40 E HA -0.090 4.264 4.350 0.006 0.000 0.194 40 E C 1.939 178.589 176.600 0.082 0.000 0.996 40 E CA 0.822 57.280 56.400 0.097 0.000 0.840 40 E CB -0.011 29.727 29.700 0.063 0.000 0.772 40 E HN 0.654 nan 8.360 nan 0.000 0.491 41 S N 0.931 116.681 115.700 0.082 0.000 2.387 41 S HA -0.144 4.330 4.470 0.006 0.000 0.230 41 S C 1.674 176.327 174.600 0.090 0.000 1.035 41 S CA 0.846 59.103 58.200 0.095 0.000 1.014 41 S CB -0.164 63.096 63.200 0.100 0.000 0.836 41 S HN 0.320 nan 8.310 nan 0.000 0.466 42 L N 2.225 123.496 121.223 0.079 0.000 2.645 42 L HA 0.158 4.501 4.340 0.006 0.000 0.234 42 L C 0.936 177.832 176.870 0.043 0.000 1.165 42 L CA -0.132 54.743 54.840 0.060 0.000 0.944 42 L CB -1.026 41.071 42.059 0.064 0.000 1.149 42 L HN 0.317 nan 8.230 nan 0.000 0.446 43 T N -4.291 110.294 114.554 0.053 0.000 2.945 43 T HA 0.277 4.630 4.350 0.006 0.000 0.286 43 T C 0.886 175.628 174.700 0.069 0.000 1.025 43 T CA -0.745 61.381 62.100 0.045 0.000 1.039 43 T CB 2.298 71.197 68.868 0.052 0.000 1.068 43 T HN -0.065 nan 8.240 nan 0.000 0.497 44 L N 1.214 122.496 121.223 0.100 0.000 2.051 44 L HA -0.107 4.237 4.340 0.006 0.000 0.214 44 L C 2.281 179.212 176.870 0.101 0.000 1.076 44 L CA 2.103 57.025 54.840 0.137 0.000 0.758 44 L CB -1.161 41.026 42.059 0.212 0.000 0.890 44 L HN 0.862 nan 8.230 nan 0.000 0.433 45 E N -0.181 120.069 120.200 0.082 0.000 2.077 45 E HA -0.135 4.219 4.350 0.006 0.000 0.193 45 E C 2.234 178.831 176.600 -0.005 0.000 0.989 45 E CA 1.460 57.889 56.400 0.048 0.000 0.800 45 E CB -0.630 29.105 29.700 0.058 0.000 0.746 45 E HN 0.632 nan 8.360 nan 0.000 0.452 46 A N 0.697 123.519 122.820 0.004 0.000 1.898 46 A HA -0.162 4.162 4.320 0.006 0.000 0.216 46 A C 2.212 179.763 177.584 -0.055 0.000 1.181 46 A CA 1.582 53.589 52.037 -0.050 0.000 0.620 46 A CB -0.588 18.430 19.000 0.030 0.000 0.819 46 A HN 0.268 nan 8.150 nan 0.000 0.442 47 M N -0.591 119.040 119.600 0.051 0.000 2.106 47 M HA -0.194 4.290 4.480 0.006 0.000 0.259 47 M C 1.901 178.247 176.300 0.076 0.000 1.068 47 M CA 1.716 57.080 55.300 0.106 0.000 1.100 47 M CB -0.324 32.338 32.600 0.103 0.000 1.351 47 M HN 0.448 nan 8.290 nan 0.000 0.404 48 L N -0.490 120.750 121.223 0.028 0.000 2.056 48 L HA -0.199 4.145 4.340 0.006 0.000 0.207 48 L C 3.039 179.873 176.870 -0.060 0.000 1.078 48 L CA 1.565 56.418 54.840 0.022 0.000 0.749 48 L CB -1.080 41.001 42.059 0.036 0.000 0.901 48 L HN 0.336 nan 8.230 nan 0.000 0.433 49 R N 0.120 120.491 120.500 -0.216 0.000 2.226 49 R HA -0.197 4.147 4.340 0.006 0.000 0.246 49 R C 1.481 177.549 176.300 -0.386 0.000 1.161 49 R CA 2.080 57.948 56.100 -0.387 0.000 0.997 49 R CB -1.680 28.239 30.300 -0.635 0.000 0.870 49 R HN 0.357 nan 8.270 nan 0.000 0.465 50 F N -1.081 118.897 119.950 0.047 0.000 2.639 50 F HA 0.462 4.993 4.527 0.006 0.000 0.302 50 F C 1.856 177.683 175.800 0.044 0.000 1.097 50 F CA -0.477 57.549 58.000 0.043 0.000 1.294 50 F CB 0.382 39.408 39.000 0.043 0.000 1.027 50 F HN 0.373 nan 8.300 nan 0.000 0.550 51 G N 0.084 108.987 108.800 0.173 0.000 2.159 51 G HA2 -0.275 3.689 3.960 0.006 0.000 0.256 51 G HA3 -0.275 3.689 3.960 0.006 0.000 0.256 51 G C 0.153 175.128 174.900 0.125 0.000 0.977 51 G CA 0.300 45.477 45.100 0.128 0.000 0.652 51 G HN 0.334 nan 8.290 nan 0.000 0.531 52 D N -0.197 120.291 120.400 0.147 0.000 2.423 52 D HA 0.789 5.433 4.640 0.006 0.000 0.255 52 D C 0.569 176.948 176.300 0.132 0.000 1.174 52 D CA -0.060 54.018 54.000 0.129 0.000 1.008 52 D CB 0.843 41.723 40.800 0.134 0.000 1.101 52 D HN 0.303 nan 8.370 nan 0.000 0.516 53 L N 0.758 122.062 121.223 0.134 0.000 2.556 53 L HA 0.325 4.669 4.340 0.006 0.000 0.257 53 L C -2.357 174.608 176.870 0.158 0.000 0.955 53 L CA -1.667 53.285 54.840 0.187 0.000 0.850 53 L CB 2.390 44.587 42.059 0.230 0.000 1.398 53 L HN 0.299 nan 8.230 nan 0.000 0.412 54 P HA 0.229 nan 4.420 nan 0.000 0.272 54 P C -2.652 174.734 177.300 0.144 0.000 1.230 54 P CA -1.241 61.876 63.100 0.028 0.000 0.788 54 P CB -0.492 31.093 31.700 -0.192 0.000 0.949 55 P HA 0.032 nan 4.420 nan 0.000 0.266 55 P C 0.267 177.733 177.300 0.276 0.000 1.195 55 P CA 0.291 63.467 63.100 0.126 0.000 0.768 55 P CB 0.219 31.941 31.700 0.036 0.000 0.838 56 A N 1.881 124.872 122.820 0.286 0.000 2.115 56 A HA 0.040 4.364 4.320 0.006 0.000 0.211 56 A C 0.892 178.572 177.584 0.161 0.000 1.169 56 A CA 0.545 52.766 52.037 0.306 0.000 0.787 56 A CB 0.052 19.102 19.000 0.083 0.000 0.858 56 A HN 0.422 nan 8.150 nan 0.000 0.474 57 E N 1.814 122.071 120.200 0.096 0.000 3.170 57 E HA 0.280 4.633 4.350 0.006 0.000 0.212 57 E C -2.818 173.801 176.600 0.032 0.000 1.143 57 E CA -1.599 54.834 56.400 0.055 0.000 1.139 57 E CB 0.605 30.327 29.700 0.037 0.000 1.346 57 E HN 0.615 nan 8.360 nan 0.000 0.432 58 P HA 0.228 nan 4.420 nan 0.000 0.275 58 P C 0.387 177.673 177.300 -0.024 0.000 1.227 58 P CA -0.126 62.965 63.100 -0.015 0.000 0.781 58 P CB 1.319 32.987 31.700 -0.054 0.000 0.906 59 M N 1.066 120.650 119.600 -0.026 0.000 2.431 59 M HA 0.173 4.657 4.480 0.006 0.000 0.237 59 M C 0.675 176.954 176.300 -0.034 0.000 1.130 59 M CA 0.712 55.997 55.300 -0.025 0.000 1.002 59 M CB -1.064 31.525 32.600 -0.018 0.000 1.524 59 M HN 0.638 nan 8.290 nan 0.000 0.482 60 E N -1.308 118.863 120.200 -0.049 0.000 2.449 60 E HA 0.592 4.946 4.350 0.006 0.000 0.278 60 E C -3.162 173.388 176.600 -0.084 0.000 1.059 60 E CA -2.282 54.085 56.400 -0.055 0.000 0.854 60 E CB 0.854 30.526 29.700 -0.046 0.000 1.465 60 E HN 0.110 nan 8.360 nan 0.000 0.462 61 P HA 0.120 nan 4.420 nan 0.000 0.276 61 P C -0.572 176.642 177.300 -0.142 0.000 1.264 61 P CA -0.208 62.818 63.100 -0.124 0.000 0.769 61 P CB 0.623 32.260 31.700 -0.104 0.000 0.840 62 V N 5.978 125.771 119.914 -0.202 0.000 2.347 62 V HA 0.208 4.332 4.120 0.006 0.000 0.280 62 V C 0.372 176.284 176.094 -0.303 0.000 1.021 62 V CA -0.607 61.553 62.300 -0.232 0.000 0.847 62 V CB 1.119 32.786 31.823 -0.260 0.000 0.990 62 V HN 0.319 nan 8.190 nan 0.000 0.444 63 L N 6.508 127.598 121.223 -0.222 0.000 2.265 63 L HA 0.582 4.925 4.340 0.006 0.000 0.288 63 L C -0.263 176.487 176.870 -0.200 0.000 1.058 63 L CA 0.053 54.767 54.840 -0.211 0.000 0.809 63 L CB 1.404 43.395 42.059 -0.113 0.000 1.179 63 L HN 0.391 nan 8.230 nan 0.000 0.429 64 V N 2.895 122.666 119.914 -0.237 0.000 2.525 64 V HA 0.389 4.513 4.120 0.006 0.000 0.299 64 V C -0.064 176.051 176.094 0.035 0.000 1.034 64 V CA -1.023 61.211 62.300 -0.111 0.000 0.863 64 V CB 1.632 33.366 31.823 -0.148 0.000 0.999 64 V HN 0.664 nan 8.190 nan 0.000 0.423 65 K N 2.460 122.875 120.400 0.024 0.000 2.218 65 K HA 0.661 4.984 4.320 0.006 0.000 0.276 65 K C -0.402 176.198 176.600 0.000 0.000 1.022 65 K CA 0.025 56.304 56.287 -0.013 0.000 0.946 65 K CB 1.370 33.837 32.500 -0.056 0.000 1.000 65 K HN 0.844 nan 8.250 nan 0.000 0.468 66 T N 1.630 116.128 114.554 -0.093 0.000 2.853 66 T HA 0.260 4.613 4.350 0.006 0.000 0.311 66 T C -0.296 174.247 174.700 -0.261 0.000 1.307 66 T CA -0.730 61.310 62.100 -0.100 0.000 1.019 66 T CB 0.871 69.802 68.868 0.105 0.000 1.264 66 T HN 0.762 nan 8.240 nan 0.000 0.497 67 H N 2.702 121.816 119.070 0.073 0.000 2.586 67 H HA 0.347 4.907 4.556 0.007 0.000 0.273 67 H C 0.607 176.067 175.328 0.220 0.000 0.997 67 H CA -0.121 55.986 56.048 0.098 0.000 1.177 67 H CB 0.386 30.161 29.762 0.021 0.000 1.471 67 H HN 0.256 nan 8.280 nan 0.000 0.538 68 L N 1.781 123.201 121.223 0.328 0.000 2.452 68 L HA 0.062 4.406 4.340 0.006 0.000 0.267 68 L C 0.746 177.897 176.870 0.468 0.000 1.188 68 L CA -0.073 54.951 54.840 0.307 0.000 0.821 68 L CB 0.797 42.974 42.059 0.196 0.000 1.102 68 L HN -0.033 nan 8.230 nan 0.000 0.470 69 K N 1.266 121.816 120.400 0.250 0.000 2.436 69 K HA 0.043 4.367 4.320 0.006 0.000 0.275 69 K C 0.977 177.367 176.600 -0.349 0.000 0.999 69 K CA 0.170 56.486 56.287 0.047 0.000 0.980 69 K CB 0.781 33.251 32.500 -0.050 0.000 0.919 69 K HN 0.741 nan 8.250 nan 0.000 0.484 70 A N 3.022 125.163 122.820 -1.132 0.000 2.032 70 A HA -0.212 4.112 4.320 0.006 0.000 0.221 70 A C 1.154 178.278 177.584 -0.767 0.000 1.165 70 A CA 2.223 53.373 52.037 -1.478 0.000 0.645 70 A CB -0.507 17.447 19.000 -1.745 0.000 0.807 70 A HN 0.901 nan 8.150 nan 0.000 0.453 71 D N -0.827 119.272 120.400 -0.502 0.000 2.388 71 D HA 0.239 4.883 4.640 0.006 0.000 0.221 71 D C 0.425 176.598 176.300 -0.212 0.000 1.133 71 D CA 0.181 53.975 54.000 -0.342 0.000 0.831 71 D CB -0.727 39.904 40.800 -0.282 0.000 0.962 71 D HN 0.370 nan 8.370 nan 0.000 0.502 72 V N -2.913 116.896 119.914 -0.175 0.000 2.811 72 V HA 0.234 4.358 4.120 0.006 0.000 0.302 72 V C -1.235 174.810 176.094 -0.081 0.000 1.063 72 V CA -1.243 61.001 62.300 -0.092 0.000 1.088 72 V CB 0.997 32.793 31.823 -0.045 0.000 0.982 72 V HN -0.205 nan 8.190 nan 0.000 0.485 73 P HA -0.159 nan 4.420 nan 0.000 0.216 73 P C 1.735 179.019 177.300 -0.027 0.000 1.157 73 P CA 1.736 64.809 63.100 -0.045 0.000 0.880 73 P CB -0.085 31.598 31.700 -0.028 0.000 0.791 74 V N -0.728 119.189 119.914 0.005 0.000 2.324 74 V HA -0.230 3.894 4.120 0.006 0.000 0.250 74 V C 2.313 178.449 176.094 0.070 0.000 1.060 74 V CA 1.649 63.976 62.300 0.045 0.000 1.042 74 V CB -1.265 30.622 31.823 0.107 0.000 0.650 74 V HN 0.128 nan 8.190 nan 0.000 0.450 75 L N 0.548 121.815 121.223 0.074 0.000 2.552 75 L HA 0.065 4.409 4.340 0.006 0.000 0.227 75 L C 2.508 179.464 176.870 0.143 0.000 1.146 75 L CA 0.788 55.738 54.840 0.184 0.000 0.858 75 L CB -0.960 41.110 42.059 0.018 0.000 0.969 75 L HN 0.461 nan 8.230 nan 0.000 0.451 76 G N 0.750 109.550 108.800 -0.001 0.000 2.475 76 G HA2 -0.246 3.718 3.960 0.006 0.000 0.220 76 G HA3 -0.246 3.718 3.960 0.006 0.000 0.220 76 G C 1.535 176.416 174.900 -0.033 0.000 1.125 76 G CA 0.596 45.677 45.100 -0.032 0.000 0.755 76 G HN 0.333 nan 8.290 nan 0.000 0.565 77 L N -1.079 120.055 121.223 -0.148 0.000 2.291 77 L HA 0.057 4.401 4.340 0.006 0.000 0.214 77 L C 1.391 178.030 176.870 -0.386 0.000 1.120 77 L CA 0.468 55.107 54.840 -0.336 0.000 0.799 77 L CB -0.135 41.598 42.059 -0.544 0.000 0.925 77 L HN 0.202 nan 8.230 nan 0.000 0.446 78 Y N -0.680 119.790 120.300 0.283 0.000 2.625 78 Y HA 0.297 4.851 4.550 0.006 0.000 0.285 78 Y C 1.992 178.129 175.900 0.394 0.000 1.168 78 Y CA -0.332 57.966 58.100 0.330 0.000 1.250 78 Y CB -0.785 37.968 38.460 0.487 0.000 1.130 78 Y HN -0.028 nan 8.280 nan 0.000 0.526 79 G N 0.995 110.043 108.800 0.413 0.000 2.628 79 G HA2 -0.394 3.569 3.960 0.006 0.000 0.217 79 G HA3 -0.394 3.569 3.960 0.006 0.000 0.217 79 G C 1.703 176.792 174.900 0.315 0.000 1.240 79 G CA 1.802 47.141 45.100 0.397 0.000 0.792 79 G HN 0.446 nan 8.290 nan 0.000 0.593 80 E N 0.676 120.992 120.200 0.193 0.000 2.106 80 E HA 0.170 4.524 4.350 0.006 0.000 0.192 80 E C 2.685 179.368 176.600 0.137 0.000 0.984 80 E CA 1.893 58.376 56.400 0.139 0.000 0.806 80 E CB -0.816 28.938 29.700 0.089 0.000 0.750 80 E HN 0.743 nan 8.360 nan 0.000 0.458 81 A N 0.617 123.545 122.820 0.181 0.000 1.933 81 A HA 0.023 4.346 4.320 0.006 0.000 0.218 81 A C 1.962 179.574 177.584 0.047 0.000 1.175 81 A CA 1.397 53.523 52.037 0.149 0.000 0.628 81 A CB -0.660 18.522 19.000 0.303 0.000 0.814 81 A HN 0.388 nan 8.150 nan 0.000 0.444 82 T N 0.635 115.217 114.554 0.047 0.000 2.817 82 T HA 0.407 4.761 4.350 0.006 0.000 0.295 82 T C 1.176 175.821 174.700 -0.093 0.000 0.958 82 T CA 0.296 62.313 62.100 -0.140 0.000 1.157 82 T CB 1.401 70.012 68.868 -0.429 0.000 0.898 82 T HN 0.420 nan 8.240 nan 0.000 0.536 83 A N 4.188 126.917 122.820 -0.152 0.000 1.973 83 A HA 0.254 4.578 4.320 0.006 0.000 0.210 83 A C 0.807 178.327 177.584 -0.105 0.000 1.200 83 A CA 0.584 52.552 52.037 -0.114 0.000 0.707 83 A CB 0.387 19.294 19.000 -0.154 0.000 0.862 83 A HN 0.532 nan 8.150 nan 0.000 0.461 84 K N -0.173 120.152 120.400 -0.125 0.000 2.501 84 K HA 0.569 4.892 4.320 0.006 0.000 0.252 84 K C -1.849 174.836 176.600 0.140 0.000 0.934 84 K CA -0.360 55.887 56.287 -0.066 0.000 0.797 84 K CB 2.214 34.541 32.500 -0.289 0.000 1.270 84 K HN -0.072 nan 8.250 nan 0.000 0.431 85 V N 3.318 123.448 119.914 0.359 0.000 2.376 85 V HA 0.257 4.380 4.120 0.006 0.000 0.287 85 V C -0.690 175.646 176.094 0.403 0.000 1.015 85 V CA -0.941 61.616 62.300 0.427 0.000 0.834 85 V CB 1.501 33.643 31.823 0.532 0.000 1.001 85 V HN 0.511 nan 8.190 nan 0.000 0.428 86 L N 6.513 127.910 121.223 0.290 0.000 2.261 86 L HA 0.483 4.827 4.340 0.006 0.000 0.289 86 L C -0.965 175.950 176.870 0.075 0.000 1.059 86 L CA -0.215 54.715 54.840 0.151 0.000 0.816 86 L CB 0.388 42.514 42.059 0.112 0.000 1.191 86 L HN 0.605 nan 8.230 nan 0.000 0.431 87 Y N 5.327 125.590 120.300 -0.061 0.000 2.331 87 Y HA 0.616 5.170 4.550 0.006 0.000 0.338 87 Y C -1.033 174.811 175.900 -0.092 0.000 0.992 87 Y CA -0.712 57.317 58.100 -0.118 0.000 1.121 87 Y CB 1.255 39.692 38.460 -0.039 0.000 1.184 87 Y HN 0.557 nan 8.280 nan 0.000 0.469 88 L N 7.112 128.011 121.223 -0.540 0.000 2.313 88 L HA 0.653 4.997 4.340 0.006 0.000 0.283 88 L C -0.626 175.963 176.870 -0.469 0.000 1.013 88 L CA -0.987 53.647 54.840 -0.344 0.000 0.816 88 L CB 1.521 43.480 42.059 -0.166 0.000 1.236 88 L HN 0.511 nan 8.230 nan 0.000 0.419 89 V N 1.039 120.808 119.914 -0.242 0.000 2.881 89 V HA 0.764 4.888 4.120 0.006 0.000 0.316 89 V C -0.499 175.659 176.094 0.106 0.000 1.070 89 V CA -0.822 61.430 62.300 -0.079 0.000 0.976 89 V CB 1.918 33.667 31.823 -0.123 0.000 1.038 89 V HN 0.868 nan 8.190 nan 0.000 0.446 90 R N 1.806 122.362 120.500 0.095 0.000 2.740 90 R HA 0.382 4.726 4.340 0.006 0.000 0.273 90 R C -0.491 175.455 176.300 -0.590 0.000 0.998 90 R CA -0.787 55.272 56.100 -0.069 0.000 0.900 90 R CB 1.691 31.915 30.300 -0.126 0.000 1.223 90 R HN 0.971 nan 8.270 nan 0.000 0.466 91 N N 2.841 120.853 118.700 -1.148 0.000 2.301 91 N HA -0.045 4.699 4.740 0.006 0.000 0.267 91 N C -1.908 173.260 175.510 -0.571 0.000 1.304 91 N CA -0.473 51.840 53.050 -1.229 0.000 0.851 91 N CB 1.220 39.318 38.487 -0.649 0.000 1.070 91 N HN 0.387 nan 8.380 nan 0.000 0.483 92 P HA 0.002 nan 4.420 nan 0.000 0.223 92 P C 0.960 178.111 177.300 -0.249 0.000 1.151 92 P CA 0.888 63.797 63.100 -0.319 0.000 0.787 92 P CB 0.314 31.909 31.700 -0.175 0.000 0.788 93 R N -0.076 120.272 120.500 -0.253 0.000 2.083 93 R HA -0.149 4.194 4.340 0.006 0.000 0.237 93 R C 1.721 177.870 176.300 -0.251 0.000 1.137 93 R CA 1.831 57.731 56.100 -0.333 0.000 0.951 93 R CB -0.846 29.317 30.300 -0.227 0.000 0.851 93 R HN 0.270 nan 8.270 nan 0.000 0.434 94 D N 0.342 120.621 120.400 -0.202 0.000 2.103 94 D HA -0.140 4.504 4.640 0.006 0.000 0.199 94 D C 1.975 178.173 176.300 -0.170 0.000 0.978 94 D CA 1.186 55.093 54.000 -0.155 0.000 0.829 94 D CB -0.250 40.483 40.800 -0.112 0.000 0.981 94 D HN 0.191 nan 8.370 nan 0.000 0.464 95 M N 0.165 119.651 119.600 -0.190 0.000 2.106 95 M HA -0.186 4.298 4.480 0.006 0.000 0.259 95 M C 2.166 178.389 176.300 -0.130 0.000 1.068 95 M CA 1.020 56.243 55.300 -0.128 0.000 1.100 95 M CB -0.189 32.382 32.600 -0.049 0.000 1.351 95 M HN 0.055 nan 8.290 nan 0.000 0.404 96 L N 0.618 121.676 121.223 -0.274 0.000 2.017 96 L HA -0.167 4.177 4.340 0.006 0.000 0.208 96 L C 1.994 178.771 176.870 -0.155 0.000 1.073 96 L CA 1.881 56.483 54.840 -0.397 0.000 0.745 96 L CB -0.817 40.822 42.059 -0.700 0.000 0.894 96 L HN 0.270 nan 8.230 nan 0.000 0.432 97 L N -1.339 119.796 121.223 -0.147 0.000 2.005 97 L HA -0.156 4.187 4.340 0.006 0.000 0.207 97 L C 2.490 179.300 176.870 -0.100 0.000 1.072 97 L CA 1.374 56.161 54.840 -0.089 0.000 0.744 97 L CB -0.835 41.184 42.059 -0.068 0.000 0.895 97 L HN 0.195 nan 8.230 nan 0.000 0.433 98 S N -0.531 115.107 115.700 -0.103 0.000 2.400 98 S HA -0.175 4.298 4.470 0.006 0.000 0.232 98 S C 2.221 176.763 174.600 -0.097 0.000 1.025 98 S CA 1.450 59.590 58.200 -0.101 0.000 0.993 98 S CB -0.120 63.013 63.200 -0.111 0.000 0.808 98 S HN 0.328 nan 8.310 nan 0.000 0.478 99 S N 1.359 117.022 115.700 -0.062 0.000 2.368 99 S HA -0.006 4.468 4.470 0.006 0.000 0.225 99 S C 1.778 176.267 174.600 -0.185 0.000 1.030 99 S CA 1.077 59.269 58.200 -0.013 0.000 0.999 99 S CB -0.321 63.004 63.200 0.209 0.000 0.844 99 S HN 0.464 nan 8.310 nan 0.000 0.459 100 M N 0.499 119.900 119.600 -0.332 0.000 2.426 100 M HA -0.108 4.376 4.480 0.006 0.000 0.261 100 M C 1.841 177.910 176.300 -0.386 0.000 1.068 100 M CA 1.018 55.929 55.300 -0.648 0.000 1.066 100 M CB -0.114 32.238 32.600 -0.413 0.000 1.399 100 M HN 0.030 nan 8.290 nan 0.000 0.449 101 R N -0.477 119.888 120.500 -0.225 0.000 2.100 101 R HA 0.106 4.449 4.340 0.006 0.000 0.220 101 R C 2.456 178.683 176.300 -0.122 0.000 1.091 101 R CA 1.584 57.595 56.100 -0.147 0.000 0.986 101 R CB -1.583 28.655 30.300 -0.105 0.000 0.888 101 R HN 0.433 nan 8.270 nan 0.000 0.444 102 M N 0.327 119.857 119.600 -0.117 0.000 2.088 102 M HA -0.040 4.443 4.480 0.006 0.000 0.256 102 M C 2.261 178.516 176.300 -0.077 0.000 1.071 102 M CA 2.644 57.895 55.300 -0.081 0.000 1.097 102 M CB -1.939 30.622 32.600 -0.064 0.000 1.315 102 M HN 0.300 nan 8.290 nan 0.000 0.406 103 A N 0.058 122.801 122.820 -0.128 0.000 2.264 103 A HA 0.466 4.789 4.320 0.006 0.000 0.207 103 A C 1.568 179.108 177.584 -0.073 0.000 1.196 103 A CA 1.581 53.573 52.037 -0.076 0.000 0.778 103 A CB -1.848 17.099 19.000 -0.089 0.000 0.779 103 A HN 2.674 nan 8.150 nan 0.000 0.483 104 S N -1.018 114.632 115.700 -0.084 0.000 3.667 104 S HA -0.135 4.339 4.470 0.006 0.000 0.405 104 S C -0.029 174.533 174.600 -0.064 0.000 0.913 104 S CA 1.134 59.300 58.200 -0.057 0.000 1.288 104 S CB -2.366 60.821 63.200 -0.022 0.000 0.905 104 S HN 0.737 nan 8.310 nan 0.000 0.550 105 I N 1.281 121.790 120.570 -0.102 0.000 2.389 105 I HA 0.648 4.822 4.170 0.006 0.000 0.288 105 I C 0.949 177.023 176.117 -0.070 0.000 0.999 105 I CA -0.223 61.023 61.300 -0.089 0.000 1.129 105 I CB 1.682 39.597 38.000 -0.142 0.000 1.288 105 I HN 0.618 nan 8.210 nan 0.000 0.444 106 S N 3.922 119.597 115.700 -0.042 0.000 2.580 106 S HA 0.376 4.850 4.470 0.006 0.000 0.266 106 S C 1.580 176.168 174.600 -0.020 0.000 1.354 106 S CA 0.338 58.519 58.200 -0.031 0.000 1.008 106 S CB 0.297 63.486 63.200 -0.019 0.000 0.898 106 S HN 0.773 nan 8.310 nan 0.000 0.555 107 R N 0.150 120.641 120.500 -0.015 0.000 2.328 107 R HA 0.055 4.399 4.340 0.006 0.000 0.207 107 R C 1.002 177.328 176.300 0.043 0.000 1.056 107 R CA 1.777 57.887 56.100 0.017 0.000 1.016 107 R CB -1.002 29.285 30.300 -0.021 0.000 0.872 107 R HN 0.798 nan 8.270 nan 0.000 0.471 108 D N -0.662 119.749 120.400 0.020 0.000 2.367 108 D HA 0.128 4.772 4.640 0.006 0.000 0.207 108 D C 0.556 176.868 176.300 0.021 0.000 1.034 108 D CA 0.897 54.910 54.000 0.023 0.000 0.861 108 D CB 0.417 41.222 40.800 0.008 0.000 0.943 108 D HN 0.665 nan 8.370 nan 0.000 0.515 109 D N 0.860 121.269 120.400 0.015 0.000 2.994 109 D HA 0.245 4.889 4.640 0.006 0.000 0.240 109 D C 1.755 178.064 176.300 0.015 0.000 1.195 109 D CA -0.167 53.840 54.000 0.012 0.000 0.957 109 D CB -0.629 40.174 40.800 0.005 0.000 1.105 109 D HN -0.122 nan 8.370 nan 0.000 0.477 110 V N 0.749 120.676 119.914 0.021 0.000 2.252 110 V HA -0.334 3.790 4.120 0.006 0.000 0.255 110 V C 2.693 178.781 176.094 -0.009 0.000 1.071 110 V CA 2.205 64.509 62.300 0.006 0.000 1.050 110 V CB -0.300 31.525 31.823 0.003 0.000 0.654 110 V HN 0.650 nan 8.190 nan 0.000 0.448 111 E N 0.214 120.412 120.200 -0.002 0.000 2.082 111 E HA -0.365 3.989 4.350 0.006 0.000 0.215 111 E C 2.482 179.090 176.600 0.013 0.000 1.048 111 E CA 2.826 59.227 56.400 0.001 0.000 0.869 111 E CB -0.574 29.130 29.700 0.006 0.000 0.773 111 E HN 0.741 nan 8.360 nan 0.000 0.466 112 K N 1.158 121.572 120.400 0.023 0.000 2.032 112 K HA -0.149 4.175 4.320 0.006 0.000 0.209 112 K C 2.358 179.000 176.600 0.070 0.000 1.048 112 K CA 1.899 58.214 56.287 0.046 0.000 0.927 112 K CB -1.165 31.355 32.500 0.034 0.000 0.712 112 K HN 0.163 nan 8.250 nan 0.000 0.441 113 S N 0.591 116.311 115.700 0.033 0.000 2.368 113 S HA -0.246 4.227 4.470 0.006 0.000 0.226 113 S C 2.242 176.883 174.600 0.067 0.000 1.044 113 S CA 1.686 59.909 58.200 0.038 0.000 1.062 113 S CB -0.331 62.863 63.200 -0.011 0.000 0.931 113 S HN 0.649 nan 8.310 nan 0.000 0.440 114 R N 0.768 121.269 120.500 0.003 0.000 2.083 114 R HA -0.148 4.196 4.340 0.006 0.000 0.237 114 R C 2.179 178.492 176.300 0.022 0.000 1.137 114 R CA 1.700 57.789 56.100 -0.017 0.000 0.951 114 R CB -0.549 29.727 30.300 -0.041 0.000 0.851 114 R HN 0.400 nan 8.270 nan 0.000 0.434 115 D N -0.056 120.371 120.400 0.044 0.000 2.117 115 D HA -0.178 4.466 4.640 0.006 0.000 0.197 115 D C 1.571 177.892 176.300 0.035 0.000 0.987 115 D CA 0.959 54.975 54.000 0.026 0.000 0.829 115 D CB -0.052 40.774 40.800 0.043 0.000 0.961 115 D HN 0.086 nan 8.370 nan 0.000 0.460 116 F N 0.785 120.733 119.950 -0.003 0.000 2.075 116 F HA -0.079 4.451 4.527 0.005 0.000 0.297 116 F C 2.209 178.061 175.800 0.086 0.000 1.113 116 F CA 1.757 59.805 58.000 0.081 0.000 1.218 116 F CB -0.543 38.544 39.000 0.145 0.000 0.984 116 F HN 0.020 nan 8.300 nan 0.000 0.472 117 A N 0.214 123.178 122.820 0.240 0.000 1.902 117 A HA -0.203 4.121 4.320 0.006 0.000 0.217 117 A C 2.308 179.931 177.584 0.064 0.000 1.181 117 A CA 1.715 53.833 52.037 0.135 0.000 0.623 117 A CB -0.882 18.148 19.000 0.049 0.000 0.818 117 A HN 0.450 nan 8.150 nan 0.000 0.443 118 R N -0.045 120.448 120.500 -0.011 0.000 2.083 118 R HA -0.177 4.167 4.340 0.006 0.000 0.237 118 R C 2.040 178.249 176.300 -0.153 0.000 1.137 118 R CA 2.110 58.174 56.100 -0.060 0.000 0.951 118 R CB -0.239 30.018 30.300 -0.072 0.000 0.851 118 R HN 0.510 nan 8.270 nan 0.000 0.434 119 K N -0.737 119.467 120.400 -0.327 0.000 2.155 119 K HA -0.124 4.200 4.320 0.006 0.000 0.203 119 K C 1.819 178.014 176.600 -0.675 0.000 1.052 119 K CA 1.339 57.199 56.287 -0.711 0.000 0.948 119 K CB -0.214 31.546 32.500 -1.234 0.000 0.728 119 K HN 0.158 nan 8.250 nan 0.000 0.448 120 F N 1.592 121.290 119.950 -0.420 0.000 2.075 120 F HA -0.170 4.362 4.527 0.007 0.000 0.297 120 F C 1.848 177.666 175.800 0.031 0.000 1.113 120 F CA 1.406 59.409 58.000 0.005 0.000 1.218 120 F CB -0.032 39.020 39.000 0.086 0.000 0.984 120 F HN -0.127 nan 8.300 nan 0.000 0.472 121 I N 0.318 121.057 120.570 0.282 0.000 2.226 121 I HA -0.290 3.884 4.170 0.006 0.000 0.245 121 I C 2.695 178.790 176.117 -0.037 0.000 1.100 121 I CA 1.090 62.491 61.300 0.167 0.000 1.374 121 I CB -0.896 37.196 38.000 0.153 0.000 1.057 121 I HN 0.270 nan 8.210 nan 0.000 0.413 122 A N 0.895 123.668 122.820 -0.079 0.000 1.940 122 A HA -0.247 4.076 4.320 0.006 0.000 0.219 122 A C 1.855 179.380 177.584 -0.100 0.000 1.176 122 A CA 2.307 54.279 52.037 -0.108 0.000 0.631 122 A CB -0.882 18.025 19.000 -0.156 0.000 0.814 122 A HN 0.532 nan 8.150 nan 0.000 0.446 123 N N -0.604 118.023 118.700 -0.122 0.000 2.280 123 N HA 0.138 4.881 4.740 0.006 0.000 0.192 123 N C -0.567 174.952 175.510 0.015 0.000 1.109 123 N CA 0.254 53.294 53.050 -0.017 0.000 0.855 123 N CB 0.135 38.687 38.487 0.108 0.000 0.974 123 N HN 0.442 nan 8.380 nan 0.000 0.482 124 E N -0.294 119.863 120.200 -0.072 0.000 2.440 124 E HA -0.222 4.132 4.350 0.006 0.000 0.246 124 E C 0.332 176.977 176.600 0.075 0.000 1.165 124 E CA 0.360 56.791 56.400 0.051 0.000 0.726 124 E CB -1.537 28.334 29.700 0.285 0.000 1.271 124 E HN 0.597 nan 8.360 nan 0.000 0.397 125 G N -1.058 107.428 108.800 -0.523 0.000 2.340 125 G HA2 0.111 4.075 3.960 0.006 0.000 0.282 125 G HA3 0.111 4.075 3.960 0.006 0.000 0.282 125 G C -0.215 174.698 174.900 0.023 0.000 1.312 125 G CA -0.480 44.423 45.100 -0.328 0.000 0.942 125 G HN 0.049 nan 8.290 nan 0.000 0.495 126 L N 1.099 122.426 121.223 0.172 0.000 2.640 126 L HA 0.372 4.715 4.340 0.006 0.000 0.230 126 L C 1.864 178.319 176.870 -0.692 0.000 1.123 126 L CA 0.705 55.371 54.840 -0.291 0.000 0.900 126 L CB 0.729 42.611 42.059 -0.296 0.000 1.146 126 L HN 0.680 nan 8.230 nan 0.000 0.484 127 G N -0.082 108.584 108.800 -0.224 0.000 3.343 127 G HA2 0.070 4.034 3.960 0.006 0.000 0.264 127 G HA3 0.070 4.034 3.960 0.006 0.000 0.264 127 G C -0.267 174.627 174.900 -0.010 0.000 0.884 127 G CA -0.366 44.643 45.100 -0.151 0.000 1.916 127 G HN 0.347 nan 8.290 nan 0.000 0.618 128 W N 0.465 121.756 121.300 -0.015 0.000 1.993 128 W HA 0.599 5.262 4.660 0.006 0.000 0.288 128 W C 0.276 176.791 176.519 -0.006 0.000 0.844 128 W CA -0.962 56.373 57.345 -0.016 0.000 2.039 128 W CB -1.397 28.041 29.460 -0.037 0.000 2.270 128 W HN 0.642 nan 8.180 nan 0.000 0.389 137 V N -3.663 116.255 119.914 0.006 0.000 3.089 137 V HA 0.986 5.110 4.120 0.006 0.000 0.312 137 V C 1.269 177.377 176.094 0.023 0.000 1.433 137 V CA -0.007 62.296 62.300 0.004 0.000 1.025 137 V CB 0.940 32.762 31.823 -0.000 0.000 1.077 137 V HN 1.982 nan 8.190 nan 0.000 0.478 138 G N -0.529 108.287 108.800 0.026 0.000 2.547 138 G HA2 -0.223 3.741 3.960 0.006 0.000 0.271 138 G HA3 -0.223 3.741 3.960 0.006 0.000 0.271 138 G C 0.433 175.378 174.900 0.075 0.000 1.209 138 G CA 0.518 45.640 45.100 0.037 0.000 0.959 138 G HN 1.353 nan 8.290 nan 0.000 0.563 139 L N 1.726 122.993 121.223 0.072 0.000 2.072 139 L HA 0.337 4.680 4.340 0.006 0.000 0.205 139 L C 2.074 179.095 176.870 0.252 0.000 1.079 139 L CA 1.401 56.328 54.840 0.145 0.000 0.752 139 L CB -1.275 40.776 42.059 -0.013 0.000 0.906 139 L HN 2.210 nan 8.230 nan 0.000 0.436 140 G N 0.025 108.933 108.800 0.181 0.000 2.860 140 G HA2 -0.245 3.719 3.960 0.006 0.000 0.553 140 G HA3 -0.245 3.719 3.960 0.006 0.000 0.553 140 G C 0.047 175.126 174.900 0.299 0.000 1.439 140 G CA -0.295 44.920 45.100 0.191 0.000 0.879 140 G HN 0.477 nan 8.290 nan 0.000 0.545 141 S N -0.674 115.154 115.700 0.214 0.000 2.587 141 S HA 0.222 4.695 4.470 0.006 0.000 0.260 141 S C 1.177 175.858 174.600 0.136 0.000 1.353 141 S CA 0.962 59.303 58.200 0.235 0.000 0.995 141 S CB 0.853 64.165 63.200 0.187 0.000 0.912 141 S HN 1.704 nan 8.310 nan 0.000 0.568 142 W N 2.714 123.890 121.300 -0.207 0.000 2.311 142 W HA -0.036 4.629 4.660 0.008 0.000 0.326 142 W C -1.073 175.232 176.519 -0.357 0.000 1.239 142 W CA 2.023 58.987 57.345 -0.636 0.000 1.258 142 W CB -1.700 27.410 29.460 -0.583 0.000 1.165 142 W HN 0.649 nan 8.180 nan 0.000 0.466 143 P HA -0.224 nan 4.420 nan 0.000 0.216 143 P C 1.066 178.233 177.300 -0.222 0.000 1.150 143 P CA 2.487 65.382 63.100 -0.342 0.000 0.837 143 P CB -0.239 31.506 31.700 0.075 0.000 0.786 144 E N -0.181 119.964 120.200 -0.091 0.000 2.049 144 E HA -0.217 4.137 4.350 0.006 0.000 0.198 144 E C 2.311 178.834 176.600 -0.129 0.000 1.007 144 E CA 1.112 57.471 56.400 -0.068 0.000 0.809 144 E CB -0.600 29.102 29.700 0.003 0.000 0.749 144 E HN 0.240 nan 8.360 nan 0.000 0.450 145 N N 0.680 119.327 118.700 -0.089 0.000 2.061 145 N HA -0.174 4.570 4.740 0.006 0.000 0.193 145 N C 1.927 177.378 175.510 -0.099 0.000 1.030 145 N CA 1.495 54.576 53.050 0.052 0.000 0.856 145 N CB -0.041 38.603 38.487 0.263 0.000 1.023 145 N HN 0.004 nan 8.380 nan 0.000 0.424 146 V N 1.814 121.480 119.914 -0.414 0.000 2.261 146 V HA -0.168 3.955 4.120 0.006 0.000 0.246 146 V C 2.738 178.427 176.094 -0.676 0.000 1.047 146 V CA 1.570 63.463 62.300 -0.678 0.000 1.015 146 V CB -0.636 30.466 31.823 -1.201 0.000 0.642 146 V HN 0.377 nan 8.190 nan 0.000 0.446 147 R N 0.446 120.623 120.500 -0.539 0.000 2.127 147 R HA -0.181 4.163 4.340 0.006 0.000 0.238 147 R C 2.543 178.700 176.300 -0.237 0.000 1.134 147 R CA 1.915 57.885 56.100 -0.216 0.000 0.975 147 R CB -0.258 30.037 30.300 -0.008 0.000 0.865 147 R HN 0.722 nan 8.270 nan 0.000 0.447 148 S N -0.978 114.538 115.700 -0.307 0.000 2.357 148 S HA -0.129 4.345 4.470 0.006 0.000 0.221 148 S C 1.778 176.083 174.600 -0.492 0.000 1.031 148 S CA 0.731 58.685 58.200 -0.409 0.000 0.982 148 S CB -0.667 62.237 63.200 -0.493 0.000 0.853 148 S HN 0.523 nan 8.310 nan 0.000 0.458 149 W N 2.561 123.618 121.300 -0.406 0.000 2.443 149 W HA 0.047 4.710 4.660 0.006 0.000 0.296 149 W C 3.178 179.514 176.519 -0.304 0.000 1.202 149 W CA 1.325 58.447 57.345 -0.371 0.000 1.312 149 W CB -0.855 28.223 29.460 -0.638 0.000 1.120 149 W HN 0.519 nan 8.180 nan 0.000 0.536 150 T N -1.997 112.432 114.554 -0.209 0.000 2.915 150 T HA -0.140 4.214 4.350 0.006 0.000 0.269 150 T C 1.166 175.850 174.700 -0.026 0.000 1.071 150 T CA 1.273 63.323 62.100 -0.083 0.000 1.132 150 T CB -0.319 68.497 68.868 -0.086 0.000 0.878 150 T HN 0.199 nan 8.240 nan 0.000 0.479 151 E N 0.635 120.788 120.200 -0.078 0.000 2.444 151 E HA 0.222 4.576 4.350 0.006 0.000 0.191 151 E C 1.671 178.223 176.600 -0.080 0.000 1.041 151 E CA -0.189 56.175 56.400 -0.060 0.000 0.883 151 E CB 0.189 29.845 29.700 -0.073 0.000 1.024 151 E HN 0.460 nan 8.360 nan 0.000 0.470 152 S N 0.483 116.143 115.700 -0.067 0.000 2.383 152 S HA -0.126 4.348 4.470 0.006 0.000 0.227 152 S C 2.072 176.670 174.600 -0.002 0.000 1.026 152 S CA 1.197 59.327 58.200 -0.117 0.000 0.981 152 S CB 0.008 63.214 63.200 0.009 0.000 0.818 152 S HN 0.198 nan 8.310 nan 0.000 0.472 153 S N 0.746 116.513 115.700 0.112 0.000 2.423 153 S HA -0.068 4.405 4.470 0.006 0.000 0.231 153 S C 1.972 176.625 174.600 0.087 0.000 1.014 153 S CA 1.598 59.895 58.200 0.161 0.000 0.965 153 S CB -0.437 62.858 63.200 0.159 0.000 0.785 153 S HN 0.767 nan 8.310 nan 0.000 0.495 154 S N 0.659 116.379 115.700 0.032 0.000 2.383 154 S HA -0.011 4.463 4.470 0.006 0.000 0.227 154 S C 0.984 175.579 174.600 -0.008 0.000 1.026 154 S CA 1.276 59.482 58.200 0.011 0.000 0.981 154 S CB -0.270 62.926 63.200 -0.007 0.000 0.818 154 S HN 0.530 nan 8.310 nan 0.000 0.472 155 D N -0.191 120.181 120.400 -0.047 0.000 2.954 155 D HA 0.216 4.860 4.640 0.006 0.000 0.266 155 D C 1.781 178.017 176.300 -0.107 0.000 1.277 155 D CA 0.089 54.048 54.000 -0.069 0.000 1.130 155 D CB -0.365 40.379 40.800 -0.093 0.000 1.440 155 D HN 0.080 nan 8.370 nan 0.000 0.427 156 R N -0.092 120.264 120.500 -0.239 0.000 2.115 156 R HA 0.066 4.410 4.340 0.006 0.000 0.230 156 R C -0.322 175.767 176.300 -0.352 0.000 1.111 156 R CA 1.079 56.910 56.100 -0.448 0.000 0.976 156 R CB -0.137 29.656 30.300 -0.845 0.000 0.870 156 R HN 0.040 nan 8.270 nan 0.000 0.445 157 F N -0.534 119.436 119.950 0.033 0.000 2.660 157 F HA 0.404 4.935 4.527 0.006 0.000 0.352 157 F C -1.969 173.881 175.800 0.082 0.000 1.257 157 F CA -3.205 54.851 58.000 0.094 0.000 1.200 157 F CB 1.854 40.949 39.000 0.158 0.000 1.473 157 F HN -0.080 nan 8.300 nan 0.000 0.561 158 P HA -0.054 nan 4.420 nan 0.000 0.219 158 P C 0.900 178.278 177.300 0.130 0.000 1.150 158 P CA 1.193 64.377 63.100 0.140 0.000 0.814 158 P CB 0.380 32.138 31.700 0.095 0.000 0.787 159 N N -0.549 118.232 118.700 0.135 0.000 2.370 159 N HA 0.142 4.886 4.740 0.006 0.000 0.198 159 N C 0.363 175.928 175.510 0.090 0.000 1.156 159 N CA 0.158 53.263 53.050 0.092 0.000 0.839 159 N CB -0.035 38.493 38.487 0.069 0.000 0.989 159 N HN 0.078 nan 8.380 nan 0.000 0.468 160 A N 0.202 123.106 122.820 0.141 0.000 2.337 160 A HA 0.428 4.752 4.320 0.006 0.000 0.329 160 A C -0.326 177.356 177.584 0.163 0.000 1.146 160 A CA -0.711 51.410 52.037 0.140 0.000 0.800 160 A CB 1.425 20.549 19.000 0.207 0.000 1.220 160 A HN -0.034 nan 8.150 nan 0.000 0.472 161 D N 0.672 121.162 120.400 0.150 0.000 2.253 161 D HA 0.475 5.119 4.640 0.006 0.000 0.249 161 D C -0.780 175.750 176.300 0.382 0.000 1.049 161 D CA 0.099 54.240 54.000 0.235 0.000 0.929 161 D CB 2.003 42.944 40.800 0.234 0.000 1.176 161 D HN 0.172 nan 8.370 nan 0.000 0.437 162 V N 2.660 122.782 119.914 0.347 0.000 2.483 162 V HA 0.266 4.390 4.120 0.006 0.000 0.297 162 V C -0.451 175.692 176.094 0.082 0.000 1.027 162 V CA -0.785 61.693 62.300 0.297 0.000 0.855 162 V CB 1.801 33.759 31.823 0.226 0.000 0.995 162 V HN 0.294 nan 8.190 nan 0.000 0.424 163 L N 4.639 125.758 121.223 -0.172 0.000 2.342 163 L HA 0.904 5.248 4.340 0.006 0.000 0.271 163 L C -0.138 176.630 176.870 -0.169 0.000 1.008 163 L CA 0.415 54.970 54.840 -0.476 0.000 0.818 163 L CB 2.351 43.534 42.059 -1.460 0.000 1.296 163 L HN 0.679 nan 8.230 nan 0.000 0.427 164 T N 5.638 120.136 114.554 -0.093 0.000 2.921 164 T HA 0.675 5.028 4.350 0.006 0.000 0.297 164 T C -1.156 173.542 174.700 -0.003 0.000 1.013 164 T CA -0.322 61.798 62.100 0.032 0.000 0.990 164 T CB 1.091 70.041 68.868 0.138 0.000 1.023 164 T HN 0.734 nan 8.240 nan 0.000 0.447 165 M N 2.906 122.495 119.600 -0.018 0.000 2.284 165 M HA 0.503 4.987 4.480 0.006 0.000 0.281 165 M C -1.435 174.868 176.300 0.005 0.000 1.083 165 M CA -0.595 54.698 55.300 -0.012 0.000 0.965 165 M CB 1.830 34.405 32.600 -0.042 0.000 1.717 165 M HN 0.435 nan 8.290 nan 0.000 0.479 166 R N 2.655 123.189 120.500 0.058 0.000 2.389 166 R HA 0.141 4.485 4.340 0.006 0.000 0.295 166 R C 0.372 176.780 176.300 0.180 0.000 1.075 166 R CA -0.161 56.023 56.100 0.140 0.000 1.005 166 R CB 0.410 30.839 30.300 0.215 0.000 0.987 166 R HN 0.693 nan 8.270 nan 0.000 0.452 167 Y N 2.850 123.199 120.300 0.083 0.000 2.132 167 Y HA -0.353 4.201 4.550 0.006 0.000 0.280 167 Y C 1.194 177.183 175.900 0.148 0.000 1.193 167 Y CA 2.206 60.372 58.100 0.111 0.000 1.157 167 Y CB 0.152 38.672 38.460 0.101 0.000 0.966 167 Y HN 0.637 nan 8.280 nan 0.000 0.511 168 E N 0.018 120.306 120.200 0.146 0.000 2.204 168 E HA -0.165 4.189 4.350 0.006 0.000 0.195 168 E C 1.811 178.416 176.600 0.008 0.000 0.990 168 E CA 1.396 57.824 56.400 0.047 0.000 0.821 168 E CB -0.245 29.571 29.700 0.194 0.000 0.750 168 E HN 0.558 nan 8.360 nan 0.000 0.477 169 D N -0.194 120.230 120.400 0.041 0.000 2.137 169 D HA -0.089 4.555 4.640 0.006 0.000 0.202 169 D C 1.871 178.162 176.300 -0.015 0.000 0.970 169 D CA 0.429 54.443 54.000 0.023 0.000 0.837 169 D CB -0.169 40.654 40.800 0.037 0.000 0.981 169 D HN 0.081 nan 8.370 nan 0.000 0.475 170 L N 1.610 122.806 121.223 -0.045 0.000 1.990 170 L HA -0.199 4.145 4.340 0.006 0.000 0.213 170 L C 2.376 179.225 176.870 -0.036 0.000 1.072 170 L CA 1.781 56.560 54.840 -0.101 0.000 0.755 170 L CB -0.816 41.138 42.059 -0.174 0.000 0.889 170 L HN -0.171 nan 8.230 nan 0.000 0.432 171 K N -0.637 119.737 120.400 -0.044 0.000 2.148 171 K HA -0.040 4.284 4.320 0.006 0.000 0.204 171 K C 2.080 178.696 176.600 0.026 0.000 1.050 171 K CA 0.999 57.305 56.287 0.031 0.000 0.942 171 K CB -1.062 31.302 32.500 -0.227 0.000 0.724 171 K HN 0.713 nan 8.250 nan 0.000 0.446 172 G N -0.499 108.300 108.800 -0.002 0.000 2.421 172 G HA2 -0.174 3.789 3.960 0.006 0.000 0.216 172 G HA3 -0.174 3.789 3.960 0.006 0.000 0.216 172 G C 0.803 175.716 174.900 0.022 0.000 1.171 172 G CA 1.074 46.181 45.100 0.012 0.000 0.775 172 G HN 0.521 nan 8.290 nan 0.000 0.543 173 D N -0.569 119.842 120.400 0.019 0.000 2.552 173 D HA 0.251 4.895 4.640 0.006 0.000 0.285 173 D C -1.629 174.680 176.300 0.015 0.000 1.206 173 D CA -1.639 52.373 54.000 0.020 0.000 0.826 173 D CB 1.541 42.349 40.800 0.014 0.000 1.179 173 D HN 0.054 nan 8.370 nan 0.000 0.508 174 P HA -0.104 nan 4.420 nan 0.000 0.216 174 P C 1.687 178.994 177.300 0.013 0.000 1.153 174 P CA 0.363 63.459 63.100 -0.006 0.000 0.844 174 P CB 0.829 32.581 31.700 0.086 0.000 0.787 175 V N 0.927 120.869 119.914 0.046 0.000 2.270 175 V HA -0.221 3.903 4.120 0.006 0.000 0.245 175 V C 2.821 178.949 176.094 0.057 0.000 1.043 175 V CA 2.258 64.601 62.300 0.073 0.000 1.014 175 V CB -1.679 30.182 31.823 0.064 0.000 0.645 175 V HN 0.086 nan 8.190 nan 0.000 0.447 176 A N -0.002 122.836 122.820 0.031 0.000 1.892 176 A HA -0.255 4.069 4.320 0.006 0.000 0.218 176 A C 2.332 179.915 177.584 -0.001 0.000 1.188 176 A CA 1.923 53.967 52.037 0.012 0.000 0.631 176 A CB -0.497 18.508 19.000 0.008 0.000 0.822 176 A HN 0.432 nan 8.150 nan 0.000 0.447 177 R N -2.042 118.459 120.500 0.001 0.000 2.090 177 R HA -0.014 4.330 4.340 0.006 0.000 0.228 177 R C 1.918 178.209 176.300 -0.015 0.000 1.110 177 R CA 1.309 57.397 56.100 -0.020 0.000 0.973 177 R CB -0.922 29.355 30.300 -0.038 0.000 0.869 177 R HN 0.651 nan 8.270 nan 0.000 0.440 178 F N 2.056 121.908 119.950 -0.163 0.000 2.293 178 F HA -0.111 4.419 4.527 0.006 0.000 0.297 178 F C 2.382 178.078 175.800 -0.174 0.000 1.089 178 F CA 1.163 59.042 58.000 -0.201 0.000 1.377 178 F CB -0.224 38.628 39.000 -0.246 0.000 1.051 178 F HN 0.009 nan 8.300 nan 0.000 0.511 179 S N -0.155 115.448 115.700 -0.162 0.000 2.382 179 S HA -0.229 4.244 4.470 0.006 0.000 0.228 179 S C 1.800 176.272 174.600 -0.213 0.000 1.027 179 S CA 1.496 59.561 58.200 -0.224 0.000 0.991 179 S CB -0.807 62.345 63.200 -0.080 0.000 0.823 179 S HN 0.629 nan 8.310 nan 0.000 0.469 180 E N 0.979 121.094 120.200 -0.141 0.000 2.072 180 E HA -0.028 4.326 4.350 0.006 0.000 0.191 180 E C 2.077 178.616 176.600 -0.102 0.000 0.985 180 E CA 1.342 57.685 56.400 -0.095 0.000 0.801 180 E CB -0.363 29.296 29.700 -0.068 0.000 0.750 180 E HN 0.594 nan 8.360 nan 0.000 0.452 181 I N 0.763 121.223 120.570 -0.184 0.000 2.179 181 I HA -0.253 3.921 4.170 0.006 0.000 0.242 181 I C 2.369 178.356 176.117 -0.217 0.000 1.088 181 I CA 0.854 62.060 61.300 -0.156 0.000 1.357 181 I CB -0.162 37.709 38.000 -0.215 0.000 1.051 181 I HN -0.025 nan 8.210 nan 0.000 0.409 182 V N 0.495 120.101 119.914 -0.514 0.000 2.407 182 V HA -0.226 3.898 4.120 0.006 0.000 0.248 182 V C 2.453 178.382 176.094 -0.274 0.000 1.055 182 V CA 1.622 63.600 62.300 -0.536 0.000 1.049 182 V CB -0.630 30.652 31.823 -0.900 0.000 0.662 182 V HN 0.402 nan 8.190 nan 0.000 0.455 183 E N -0.292 119.800 120.200 -0.180 0.000 2.031 183 E HA -0.239 4.115 4.350 0.006 0.000 0.193 183 E C 2.093 178.669 176.600 -0.041 0.000 0.994 183 E CA 1.639 57.989 56.400 -0.083 0.000 0.800 183 E CB -0.351 29.327 29.700 -0.037 0.000 0.752 183 E HN 0.636 nan 8.360 nan 0.000 0.447 184 F N 1.460 121.331 119.950 -0.131 0.000 2.171 184 F HA -0.131 4.400 4.527 0.007 0.000 0.300 184 F C 2.044 177.787 175.800 -0.094 0.000 1.090 184 F CA 1.033 58.978 58.000 -0.093 0.000 1.293 184 F CB -0.166 38.784 39.000 -0.083 0.000 1.013 184 F HN -0.096 nan 8.300 nan 0.000 0.486 185 L N 0.209 121.276 121.223 -0.259 0.000 2.552 185 L HA -0.062 4.282 4.340 0.006 0.000 0.227 185 L C 0.261 176.963 176.870 -0.280 0.000 1.146 185 L CA 0.935 55.569 54.840 -0.344 0.000 0.858 185 L CB -0.887 41.063 42.059 -0.181 0.000 0.969 185 L HN 0.162 nan 8.230 nan 0.000 0.451 186 D N -0.075 120.194 120.400 -0.219 0.000 2.803 186 D HA -0.198 4.446 4.640 0.006 0.000 0.233 186 D C 0.540 176.773 176.300 -0.112 0.000 1.182 186 D CA 0.208 54.117 54.000 -0.153 0.000 0.726 186 D CB -0.334 40.361 40.800 -0.175 0.000 0.987 186 D HN -0.028 nan 8.370 nan 0.000 0.412 187 L N 0.432 121.608 121.223 -0.079 0.000 2.558 187 L HA 0.479 4.823 4.340 0.006 0.000 0.225 187 L C 1.715 178.585 176.870 -0.001 0.000 1.128 187 L CA 1.385 56.203 54.840 -0.037 0.000 0.868 187 L CB -1.136 40.924 42.059 0.002 0.000 1.006 187 L HN 0.640 nan 8.230 nan 0.000 0.454 188 G N -1.643 107.159 108.800 0.004 0.000 2.627 188 G HA2 0.472 4.436 3.960 0.006 0.000 0.680 188 G HA3 0.472 4.436 3.960 0.006 0.000 0.680 188 G C 0.036 174.956 174.900 0.034 0.000 1.341 188 G CA -0.350 44.772 45.100 0.037 0.000 0.835 188 G HN 0.580 nan 8.290 nan 0.000 0.643 189 G N 1.745 110.571 108.800 0.044 0.000 2.888 189 G HA2 0.287 4.251 3.960 0.006 0.000 0.441 189 G HA3 0.287 4.251 3.960 0.006 0.000 0.441 189 G C -1.200 173.715 174.900 0.026 0.000 1.461 189 G CA 0.188 45.309 45.100 0.034 0.000 0.897 189 G HN 1.696 nan 8.290 nan 0.000 0.547 190 P HA 0.381 nan 4.420 nan 0.000 0.271 190 P C 0.411 177.738 177.300 0.045 0.000 1.226 190 P CA -0.232 62.882 63.100 0.024 0.000 0.765 190 P CB 0.885 32.597 31.700 0.019 0.000 0.835 191 V N 1.828 121.767 119.914 0.042 0.000 2.599 191 V HA 0.118 4.242 4.120 0.006 0.000 0.300 191 V C 1.234 177.381 176.094 0.089 0.000 1.034 191 V CA 0.823 63.168 62.300 0.076 0.000 1.115 191 V CB -0.484 31.330 31.823 -0.015 0.000 0.934 191 V HN 0.784 nan 8.190 nan 0.000 0.485 192 D N 3.892 124.383 120.400 0.152 0.000 2.359 192 D HA 0.441 5.085 4.640 0.006 0.000 0.230 192 D C 0.908 177.281 176.300 0.123 0.000 1.118 192 D CA -0.422 53.640 54.000 0.103 0.000 0.844 192 D CB 1.071 41.910 40.800 0.064 0.000 1.059 192 D HN 0.707 nan 8.370 nan 0.000 0.493 193 I N 0.144 120.761 120.570 0.078 0.000 2.454 193 I HA -0.158 4.016 4.170 0.006 0.000 0.254 193 I C 1.921 178.091 176.117 0.088 0.000 1.156 193 I CA 1.170 62.516 61.300 0.076 0.000 1.433 193 I CB 0.379 38.407 38.000 0.047 0.000 1.082 193 I HN 0.477 nan 8.210 nan 0.000 0.432 194 E N 0.600 120.844 120.200 0.073 0.000 2.047 194 E HA -0.223 4.131 4.350 0.006 0.000 0.191 194 E C 1.789 178.443 176.600 0.090 0.000 0.987 194 E CA 1.104 57.544 56.400 0.066 0.000 0.799 194 E CB -0.492 29.233 29.700 0.041 0.000 0.752 194 E HN 0.528 nan 8.360 nan 0.000 0.449 195 D N 0.689 121.150 120.400 0.102 0.000 2.158 195 D HA -0.145 4.498 4.640 0.006 0.000 0.197 195 D C 2.041 178.512 176.300 0.285 0.000 0.995 195 D CA 0.785 54.859 54.000 0.123 0.000 0.846 195 D CB -0.084 40.751 40.800 0.058 0.000 0.941 195 D HN 0.214 nan 8.370 nan 0.000 0.456 196 I N 0.258 121.019 120.570 0.319 0.000 2.406 196 I HA -0.208 3.966 4.170 0.006 0.000 0.249 196 I C 2.974 179.228 176.117 0.229 0.000 1.122 196 I CA 0.861 62.369 61.300 0.347 0.000 1.431 196 I CB -0.111 38.035 38.000 0.244 0.000 1.087 196 I HN -0.060 nan 8.210 nan 0.000 0.424 197 R N 1.134 121.724 120.500 0.150 0.000 2.081 197 R HA -0.144 4.200 4.340 0.006 0.000 0.235 197 R C 2.506 178.857 176.300 0.085 0.000 1.131 197 R CA 1.943 58.103 56.100 0.099 0.000 0.960 197 R CB -1.890 28.454 30.300 0.073 0.000 0.856 197 R HN 0.476 nan 8.270 nan 0.000 0.436 198 R N 0.222 120.775 120.500 0.089 0.000 2.081 198 R HA 0.296 4.640 4.340 0.006 0.000 0.235 198 R C 2.808 179.154 176.300 0.077 0.000 1.131 198 R CA 1.911 58.053 56.100 0.069 0.000 0.960 198 R CB -1.461 28.873 30.300 0.055 0.000 0.856 198 R HN 0.872 nan 8.270 nan 0.000 0.436 199 A N 0.183 123.078 122.820 0.124 0.000 2.070 199 A HA 0.079 4.403 4.320 0.006 0.000 0.220 199 A C 2.504 180.084 177.584 -0.006 0.000 1.159 199 A CA 1.576 53.682 52.037 0.114 0.000 0.656 199 A CB -0.299 18.877 19.000 0.295 0.000 0.800 199 A HN 0.345 nan 8.150 nan 0.000 0.453 200 V N -0.560 119.356 119.914 0.003 0.000 2.302 200 V HA -0.134 3.990 4.120 0.006 0.000 0.243 200 V C 3.028 179.158 176.094 0.060 0.000 1.036 200 V CA 1.600 63.894 62.300 -0.010 0.000 1.020 200 V CB -1.014 30.820 31.823 0.018 0.000 0.657 200 V HN 0.580 nan 8.190 nan 0.000 0.453 201 A N 0.131 122.983 122.820 0.052 0.000 1.997 201 A HA -0.239 4.085 4.320 0.006 0.000 0.221 201 A C 2.387 179.993 177.584 0.036 0.000 1.172 201 A CA 2.339 54.402 52.037 0.043 0.000 0.645 201 A CB -0.781 18.239 19.000 0.034 0.000 0.813 201 A HN 0.606 nan 8.150 nan 0.000 0.454 202 A N -0.161 122.683 122.820 0.041 0.000 1.865 202 A HA 0.218 4.542 4.320 0.006 0.000 0.217 202 A C 1.990 179.599 177.584 0.041 0.000 1.191 202 A CA 1.833 53.892 52.037 0.038 0.000 0.623 202 A CB -1.586 17.440 19.000 0.043 0.000 0.826 202 A HN 1.328 nan 8.150 nan 0.000 0.444 252 S N 1.592 117.319 115.700 0.044 0.000 2.576 252 S HA 0.370 4.844 4.470 0.006 0.000 0.276 252 S C 0.447 175.153 174.600 0.175 0.000 1.339 252 S CA -0.283 57.968 58.200 0.084 0.000 1.039 252 S CB 0.373 63.630 63.200 0.096 0.000 0.902 252 S HN 0.589 nan 8.310 nan 0.000 0.516 253 L N 4.015 125.289 121.223 0.084 0.000 2.872 253 L HA 0.187 4.531 4.340 0.006 0.000 0.245 253 L C 1.755 178.573 176.870 -0.087 0.000 1.211 253 L CA -0.151 54.685 54.840 -0.006 0.000 1.013 253 L CB 0.008 41.991 42.059 -0.127 0.000 1.326 253 L HN 0.594 nan 8.230 nan 0.000 0.525 254 S N 0.907 116.644 115.700 0.063 0.000 2.368 254 S HA -0.185 4.289 4.470 0.006 0.000 0.224 254 S C 1.812 176.407 174.600 -0.008 0.000 1.029 254 S CA 1.376 59.594 58.200 0.030 0.000 0.988 254 S CB -0.261 62.990 63.200 0.084 0.000 0.838 254 S HN 0.642 nan 8.310 nan 0.000 0.462 255 F N 1.706 121.648 119.950 -0.014 0.000 2.250 255 F HA -0.014 4.513 4.527 0.000 0.000 0.301 255 F C 1.612 177.404 175.800 -0.014 0.000 1.077 255 F CA 0.845 58.836 58.000 -0.015 0.000 1.348 255 F CB -0.681 38.305 39.000 -0.022 0.000 1.040 255 F HN 0.072 nan 8.300 nan 0.000 0.509 256 L N 0.551 121.153 121.223 -1.036 0.000 2.240 256 L HA 0.292 4.635 4.340 0.006 0.000 0.211 256 L C 0.997 177.693 176.870 -0.291 0.000 1.106 256 L CA 0.748 55.179 54.840 -0.683 0.000 0.793 256 L CB -0.972 40.651 42.059 -0.727 0.000 0.927 256 L HN 0.508 nan 8.230 nan 0.000 0.446 257 G N -2.120 106.553 108.800 -0.210 0.000 2.312 257 G HA2 0.178 4.142 3.960 0.006 0.000 0.322 257 G HA3 0.178 4.142 3.960 0.006 0.000 0.322 257 G C 0.279 175.138 174.900 -0.068 0.000 1.645 257 G CA -0.132 44.907 45.100 -0.103 0.000 0.919 257 G HN -0.027 nan 8.290 nan 0.000 0.699 258 E N 1.037 121.219 120.200 -0.031 0.000 2.136 258 E HA -0.297 4.056 4.350 0.006 0.000 0.202 258 E C 2.029 178.626 176.600 -0.004 0.000 1.019 258 E CA 2.711 59.106 56.400 -0.008 0.000 0.819 258 E CB -0.685 29.015 29.700 -0.001 0.000 0.739 258 E HN 0.998 nan 8.360 nan 0.000 0.458 259 D N -0.226 120.166 120.400 -0.014 0.000 2.269 259 D HA -0.069 4.575 4.640 0.006 0.000 0.208 259 D C 1.815 178.114 176.300 -0.002 0.000 0.963 259 D CA 0.942 54.938 54.000 -0.006 0.000 0.864 259 D CB -0.149 40.642 40.800 -0.014 0.000 0.936 259 D HN 0.431 nan 8.370 nan 0.000 0.505 260 I N 1.116 121.672 120.570 -0.022 0.000 2.162 260 I HA -0.145 4.028 4.170 0.006 0.000 0.238 260 I C 2.461 178.596 176.117 0.029 0.000 1.076 260 I CA 0.935 62.223 61.300 -0.020 0.000 1.353 260 I CB -1.292 36.652 38.000 -0.093 0.000 1.063 260 I HN 0.026 nan 8.210 nan 0.000 0.408 261 E N 0.957 121.166 120.200 0.015 0.000 2.130 261 E HA -0.220 4.134 4.350 0.006 0.000 0.196 261 E C 2.408 179.082 176.600 0.123 0.000 0.998 261 E CA 1.889 58.334 56.400 0.074 0.000 0.806 261 E CB -0.231 29.503 29.700 0.057 0.000 0.738 261 E HN 0.324 nan 8.360 nan 0.000 0.459 262 S N -0.409 115.338 115.700 0.078 0.000 2.345 262 S HA -0.135 4.339 4.470 0.006 0.000 0.219 262 S C 1.511 176.159 174.600 0.079 0.000 1.031 262 S CA 1.412 59.657 58.200 0.074 0.000 0.984 262 S CB -0.456 62.768 63.200 0.040 0.000 0.874 262 S HN 0.275 nan 8.310 nan 0.000 0.451 263 D N -0.241 120.198 120.400 0.065 0.000 2.144 263 D HA -0.068 4.576 4.640 0.006 0.000 0.199 263 D C 1.569 177.907 176.300 0.064 0.000 0.984 263 D CA 1.111 55.141 54.000 0.049 0.000 0.834 263 D CB -0.470 40.350 40.800 0.034 0.000 0.955 263 D HN 0.646 nan 8.370 nan 0.000 0.465 264 Y N 1.284 121.582 120.300 -0.004 0.000 2.242 264 Y HA -0.169 4.385 4.550 0.006 0.000 0.291 264 Y C 2.180 178.081 175.900 0.002 0.000 1.137 264 Y CA 1.502 59.592 58.100 -0.016 0.000 1.181 264 Y CB -0.042 38.420 38.460 0.003 0.000 0.989 264 Y HN -0.050 nan 8.280 nan 0.000 0.527 265 Q N -0.272 119.564 119.800 0.060 0.000 2.226 265 Q HA -0.187 4.157 4.340 0.006 0.000 0.204 265 Q C 2.210 178.270 176.000 0.100 0.000 0.975 265 Q CA 1.625 57.448 55.803 0.033 0.000 0.866 265 Q CB -0.033 28.818 28.738 0.187 0.000 0.915 265 Q HN 0.457 nan 8.270 nan 0.000 0.440 266 E N 0.235 120.490 120.200 0.092 0.000 2.118 266 E HA -0.178 4.176 4.350 0.006 0.000 0.195 266 E C 1.876 178.485 176.600 0.014 0.000 0.992 266 E CA 0.880 57.352 56.400 0.119 0.000 0.804 266 E CB -0.311 29.403 29.700 0.023 0.000 0.741 266 E HN 0.285 nan 8.360 nan 0.000 0.458 267 L N -0.243 120.864 121.223 -0.193 0.000 2.079 267 L HA -0.120 4.224 4.340 0.006 0.000 0.210 267 L C 2.050 178.824 176.870 -0.159 0.000 1.081 267 L CA 1.372 56.022 54.840 -0.317 0.000 0.752 267 L CB -0.613 40.965 42.059 -0.802 0.000 0.896 267 L HN 0.254 nan 8.230 nan 0.000 0.433 268 L N -1.852 119.229 121.223 -0.236 0.000 2.599 268 L HA 0.034 4.378 4.340 0.006 0.000 0.230 268 L C 0.215 176.950 176.870 -0.224 0.000 1.141 268 L CA 0.436 55.177 54.840 -0.164 0.000 0.877 268 L CB -1.285 40.619 42.059 -0.259 0.000 1.009 268 L HN 0.234 nan 8.230 nan 0.000 0.447 269 H N -0.747 118.325 119.070 0.004 0.000 2.467 269 H HA 0.685 5.244 4.556 0.005 0.000 0.326 269 H C 0.606 175.944 175.328 0.017 0.000 1.094 269 H CA 0.079 56.135 56.048 0.013 0.000 1.253 269 H CB 1.261 31.022 29.762 -0.000 0.000 1.439 269 H HN 0.115 nan 8.280 nan 0.000 0.479 270 G N 1.769 110.646 108.800 0.129 0.000 2.361 270 G HA2 -0.072 3.892 3.960 0.006 0.000 0.305 270 G HA3 -0.072 3.892 3.960 0.006 0.000 0.305 270 G C -0.700 174.224 174.900 0.040 0.000 1.367 270 G CA -0.702 44.443 45.100 0.075 0.000 0.951 270 G HN 0.521 nan 8.290 nan 0.000 0.615 271 D N -0.024 120.386 120.400 0.017 0.000 2.369 271 D HA 0.113 4.757 4.640 0.006 0.000 0.211 271 D C 1.745 178.028 176.300 -0.027 0.000 1.077 271 D CA 0.934 54.925 54.000 -0.014 0.000 0.842 271 D CB 0.490 41.279 40.800 -0.019 0.000 0.947 271 D HN 0.576 nan 8.370 nan 0.000 0.509 272 S N 0.120 115.823 115.700 0.006 0.000 3.919 272 S HA 0.469 4.943 4.470 0.006 0.000 0.245 272 S C 1.382 176.010 174.600 0.046 0.000 1.344 272 S CA -0.038 58.171 58.200 0.015 0.000 0.896 272 S CB 0.394 63.615 63.200 0.036 0.000 1.557 272 S HN 0.317 nan 8.310 nan 0.000 0.468 273 G N 3.189 111.971 108.800 -0.030 0.000 5.452 273 G HA2 -0.434 3.530 3.960 0.006 0.000 0.310 273 G HA3 -0.434 3.530 3.960 0.006 0.000 0.310 273 G C 0.566 175.536 174.900 0.117 0.000 1.392 273 G CA 0.544 45.628 45.100 -0.026 0.000 0.942 273 G HN 0.659 nan 8.290 nan 0.000 0.776 274 F N 2.800 122.845 119.950 0.159 0.000 2.126 274 F HA 0.185 4.716 4.527 0.007 0.000 0.299 274 F C 3.034 179.035 175.800 0.335 0.000 1.096 274 F CA 2.904 61.114 58.000 0.349 0.000 1.255 274 F CB -0.473 38.691 39.000 0.273 0.000 0.997 274 F HN 0.511 nan 8.300 nan 0.000 0.479 275 A N 0.193 123.252 122.820 0.399 0.000 1.873 275 A HA -0.044 4.280 4.320 0.006 0.000 0.215 275 A C 2.480 180.143 177.584 0.132 0.000 1.186 275 A CA 2.254 54.431 52.037 0.233 0.000 0.616 275 A CB -1.632 17.442 19.000 0.124 0.000 0.823 275 A HN 0.421 nan 8.150 nan 0.000 0.442 276 L N -1.661 119.561 121.223 -0.001 0.000 1.989 276 L HA -0.156 4.188 4.340 0.006 0.000 0.211 276 L C 2.697 179.491 176.870 -0.127 0.000 1.071 276 L CA 2.730 57.478 54.840 -0.152 0.000 0.749 276 L CB -2.336 39.510 42.059 -0.355 0.000 0.890 276 L HN 0.585 nan 8.230 nan 0.000 0.431 277 Y N 0.253 120.566 120.300 0.022 0.000 2.181 277 Y HA 0.032 4.586 4.550 0.006 0.000 0.288 277 Y C 2.926 179.005 175.900 0.298 0.000 1.146 277 Y CA 1.148 59.267 58.100 0.031 0.000 1.164 277 Y CB -1.111 37.203 38.460 -0.244 0.000 0.982 277 Y HN 0.377 nan 8.280 nan 0.000 0.515 278 A N 0.046 123.211 122.820 0.574 0.000 1.972 278 A HA -0.213 4.111 4.320 0.006 0.000 0.219 278 A C 2.167 179.937 177.584 0.309 0.000 1.169 278 A CA 1.892 54.280 52.037 0.586 0.000 0.635 278 A CB -0.479 18.834 19.000 0.522 0.000 0.810 278 A HN 0.446 nan 8.150 nan 0.000 0.446 279 K N -1.124 119.374 120.400 0.162 0.000 2.116 279 K HA -0.013 4.311 4.320 0.006 0.000 0.203 279 K C 2.766 179.344 176.600 -0.035 0.000 1.052 279 K CA 1.135 57.453 56.287 0.051 0.000 0.952 279 K CB -0.289 32.222 32.500 0.019 0.000 0.729 279 K HN 0.555 nan 8.250 nan 0.000 0.446 280 Q N 0.623 120.361 119.800 -0.102 0.000 2.084 280 Q HA -0.159 4.185 4.340 0.006 0.000 0.202 280 Q C 1.628 177.414 176.000 -0.356 0.000 0.978 280 Q CA 1.755 57.397 55.803 -0.270 0.000 0.844 280 Q CB -1.067 27.425 28.738 -0.409 0.000 0.898 280 Q HN 0.448 nan 8.270 nan 0.000 0.426 281 Y N -0.114 120.151 120.300 -0.060 0.000 2.502 281 Y HA 0.401 4.954 4.550 0.006 0.000 0.295 281 Y C 1.808 177.301 175.900 -0.678 0.000 1.193 281 Y CA -0.012 57.892 58.100 -0.327 0.000 1.295 281 Y CB -0.060 38.241 38.460 -0.264 0.000 1.059 281 Y HN 0.481 nan 8.280 nan 0.000 0.514 282 G N -0.536 108.114 108.800 -0.249 0.000 2.176 282 G HA2 -0.342 3.621 3.960 0.006 0.000 0.252 282 G HA3 -0.342 3.621 3.960 0.006 0.000 0.252 282 G C -0.065 174.808 174.900 -0.046 0.000 1.024 282 G CA 0.274 45.289 45.100 -0.142 0.000 0.755 282 G HN 0.446 nan 8.290 nan 0.000 0.507 283 Y N -1.225 119.199 120.300 0.206 0.000 2.636 283 Y HA 0.636 5.190 4.550 0.006 0.000 0.260 283 Y C 1.720 177.726 175.900 0.176 0.000 1.177 283 Y CA -0.087 58.130 58.100 0.194 0.000 1.209 283 Y CB -0.095 38.502 38.460 0.227 0.000 1.166 283 Y HN 0.427 nan 8.280 nan 0.000 0.531 284 A N -0.838 122.125 122.820 0.239 0.000 1.989 284 A HA 0.664 4.987 4.320 0.006 0.000 0.201 284 A C 1.357 178.995 177.584 0.091 0.000 1.720 284 A CA 0.534 52.658 52.037 0.145 0.000 0.956 284 A CB -0.379 18.680 19.000 0.098 0.000 1.094 284 A HN 0.468 nan 8.150 nan 0.000 0.561 285 G N 0.000 108.846 108.800 0.076 0.000 5.446 285 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 285 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 285 G CA 0.000 45.136 45.100 0.060 0.000 0.502 285 G HN 0.000 nan 8.290 nan 0.000 0.925