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 2yz5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVDSHVHTPL CGHAEGHPEA YLEEARAKGL KGVVFTDHSP MPPWYDPESR DATA SEQUENCE MRLEALPFYL LALERVRERA QDLYVGIGLE ADFHPGTEGF LAQLLRRYPF DATA SEQUENCE DYVIGSVHYL GAWPLDHPDH QEEYAWRDLK EVFRAYFQEV EKAARSGLFH DATA SEQUENCE AIGHLDLPKK FGHRLPEEAL LELAEPALRA VAEAGLFLDV NTAGLRRPAK DATA SEQUENCE EVYPAPALLR RARELGIGLV LGSDAHRPEE VGFAFPEVQA LLAGLGFREA DATA SEQUENCE YYFVEGSPVA YPLSR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.184 176.300 -0.193 0.000 1.140 1 M CA 0.000 55.183 55.300 -0.195 0.000 0.988 1 M CB 0.000 32.320 32.600 -0.467 0.000 1.302 2 V N 2.019 121.846 119.914 -0.146 0.000 2.709 2 V HA 0.540 4.661 4.120 0.001 0.000 0.308 2 V C -1.403 174.801 176.094 0.183 0.000 1.062 2 V CA -0.444 61.788 62.300 -0.112 0.000 0.901 2 V CB 1.972 33.557 31.823 -0.397 0.000 1.003 2 V HN 0.253 nan 8.190 nan 0.000 0.425 3 D N 2.293 122.773 120.400 0.134 0.000 2.396 3 D HA 0.293 4.934 4.640 0.001 0.000 0.225 3 D C 0.579 176.973 176.300 0.156 0.000 1.121 3 D CA 0.015 54.170 54.000 0.259 0.000 0.853 3 D CB 1.723 42.522 40.800 -0.002 0.000 1.043 3 D HN 0.443 nan 8.370 nan 0.000 0.500 4 S N 2.406 118.259 115.700 0.255 0.000 2.597 4 S HA 0.018 4.488 4.470 0.001 0.000 0.224 4 S C 0.343 175.146 174.600 0.339 0.000 0.955 4 S CA -0.277 58.061 58.200 0.229 0.000 0.933 4 S CB -0.137 63.149 63.200 0.144 0.000 0.788 4 S HN 0.569 nan 8.310 nan 0.000 0.488 5 H N 0.971 120.142 119.070 0.168 0.000 2.808 5 H HA 0.483 5.039 4.556 0.001 0.000 0.268 5 H C -1.096 174.233 175.328 0.002 0.000 1.306 5 H CA -0.615 55.491 56.048 0.097 0.000 1.565 5 H CB 0.503 30.375 29.762 0.184 0.000 1.632 5 H HN 0.168 nan 8.280 nan 0.000 0.525 6 V N 1.199 121.146 119.914 0.054 0.000 2.709 6 V HA 0.518 4.639 4.120 0.001 0.000 0.308 6 V C -0.644 175.324 176.094 -0.210 0.000 1.062 6 V CA -0.790 61.479 62.300 -0.053 0.000 0.901 6 V CB 1.925 33.644 31.823 -0.174 0.000 1.003 6 V HN 0.614 nan 8.190 nan 0.000 0.425 7 H N 2.297 121.327 119.070 -0.067 0.000 2.669 7 H HA 0.813 5.370 4.556 0.001 0.000 0.318 7 H C 0.068 175.306 175.328 -0.151 0.000 1.429 7 H CA 0.386 56.342 56.048 -0.153 0.000 1.460 7 H CB 2.237 31.714 29.762 -0.475 0.000 1.784 7 H HN 1.021 nan 8.280 nan 0.000 0.750 8 T N -2.878 111.696 114.554 0.033 0.000 2.883 8 T HA 0.213 4.564 4.350 0.001 0.000 0.296 8 T C -2.391 172.316 174.700 0.013 0.000 1.117 8 T CA -1.960 60.115 62.100 -0.041 0.000 1.006 8 T CB 1.996 70.848 68.868 -0.026 0.000 1.191 8 T HN 0.095 nan 8.240 nan 0.000 0.508 9 P HA 0.106 nan 4.420 nan 0.000 0.225 9 P C 1.537 178.840 177.300 0.005 0.000 1.148 9 P CA 0.584 63.702 63.100 0.030 0.000 0.779 9 P CB -0.111 31.615 31.700 0.043 0.000 0.780 10 L N -0.710 120.515 121.223 0.004 0.000 2.265 10 L HA -0.174 4.167 4.340 0.001 0.000 0.215 10 L C 2.256 179.123 176.870 -0.005 0.000 1.117 10 L CA 1.247 56.086 54.840 -0.001 0.000 0.782 10 L CB -1.048 41.017 42.059 0.010 0.000 0.914 10 L HN 0.236 nan 8.230 nan 0.000 0.441 11 C N -1.761 117.532 119.300 -0.011 0.000 2.562 11 C HA 0.390 4.851 4.460 0.001 0.000 0.266 11 C C 1.937 176.922 174.990 -0.008 0.000 1.382 11 C CA -0.084 58.932 59.018 -0.003 0.000 1.742 11 C CB -0.828 26.921 27.740 0.015 0.000 1.812 11 C HN 0.711 nan 8.230 nan 0.000 0.559 12 G N 1.310 110.106 108.800 -0.007 0.000 2.253 12 G HA2 -0.235 3.726 3.960 0.001 0.000 0.251 12 G HA3 -0.235 3.726 3.960 0.001 0.000 0.251 12 G C 0.410 175.378 174.900 0.114 0.000 0.998 12 G CA 0.646 45.784 45.100 0.062 0.000 0.621 12 G HN 1.195 nan 8.290 nan 0.000 0.524 13 H N -0.903 118.209 119.070 0.070 0.000 2.651 13 H HA 0.774 5.331 4.556 0.001 0.000 0.241 13 H C 0.138 175.568 175.328 0.169 0.000 1.225 13 H CA 0.359 56.448 56.048 0.068 0.000 0.942 13 H CB -0.269 29.486 29.762 -0.012 0.000 1.996 13 H HN 1.171 nan 8.280 nan 0.000 0.600 14 A N 0.893 123.745 122.820 0.053 0.000 2.556 14 A HA 0.678 4.998 4.320 0.001 0.000 0.294 14 A C -1.225 176.447 177.584 0.147 0.000 1.091 14 A CA -0.790 51.336 52.037 0.148 0.000 0.704 14 A CB 2.246 21.305 19.000 0.099 0.000 1.300 14 A HN 0.313 nan 8.150 nan 0.000 0.406 15 E N -0.507 119.813 120.200 0.201 0.000 2.416 15 E HA 0.766 5.116 4.350 0.001 0.000 0.273 15 E C -0.286 176.470 176.600 0.259 0.000 0.935 15 E CA -0.040 56.464 56.400 0.173 0.000 0.784 15 E CB 2.008 31.774 29.700 0.110 0.000 1.301 15 E HN 2.144 nan 8.360 nan 0.000 0.454 16 G N 1.049 109.990 108.800 0.234 0.000 2.885 16 G HA2 -0.062 3.899 3.960 0.001 0.000 0.685 16 G HA3 -0.062 3.899 3.960 0.001 0.000 0.685 16 G C -1.249 173.892 174.900 0.401 0.000 1.216 16 G CA -0.959 44.322 45.100 0.302 0.000 0.790 16 G HN 0.633 nan 8.290 nan 0.000 0.631 17 H N 5.147 124.346 119.070 0.214 0.000 2.848 17 H HA 0.236 4.792 4.556 0.001 0.000 0.341 17 H C -0.726 174.760 175.328 0.263 0.000 1.060 17 H CA -0.565 55.582 56.048 0.165 0.000 1.444 17 H CB 1.577 31.401 29.762 0.103 0.000 1.446 17 H HN 0.291 nan 8.280 nan 0.000 0.583 18 P HA -0.177 nan 4.420 nan 0.000 0.216 18 P C 0.671 178.257 177.300 0.477 0.000 1.150 18 P CA 1.455 64.678 63.100 0.206 0.000 0.843 18 P CB 0.300 31.842 31.700 -0.262 0.000 0.787 19 E N -0.391 120.158 120.200 0.582 0.000 2.347 19 E HA 0.001 4.351 4.350 0.001 0.000 0.196 19 E C 2.114 178.829 176.600 0.192 0.000 1.008 19 E CA 0.644 57.210 56.400 0.277 0.000 0.852 19 E CB -0.286 29.459 29.700 0.076 0.000 0.783 19 E HN 0.243 nan 8.360 nan 0.000 0.505 20 A N 0.340 123.312 122.820 0.253 0.000 1.970 20 A HA -0.119 4.202 4.320 0.001 0.000 0.216 20 A C 1.636 179.299 177.584 0.132 0.000 1.170 20 A CA 0.762 52.879 52.037 0.133 0.000 0.645 20 A CB -0.485 18.587 19.000 0.120 0.000 0.816 20 A HN 0.243 nan 8.150 nan 0.000 0.447 21 Y N 0.163 120.545 120.300 0.138 0.000 2.242 21 Y HA -0.097 4.453 4.550 0.001 0.000 0.291 21 Y C 2.130 178.054 175.900 0.039 0.000 1.137 21 Y CA 1.344 59.505 58.100 0.102 0.000 1.181 21 Y CB -0.157 38.420 38.460 0.194 0.000 0.989 21 Y HN 0.175 nan 8.280 nan 0.000 0.527 22 L N -0.409 120.960 121.223 0.243 0.000 2.217 22 L HA -0.153 4.188 4.340 0.001 0.000 0.211 22 L C 2.310 179.209 176.870 0.049 0.000 1.107 22 L CA 1.117 56.025 54.840 0.114 0.000 0.783 22 L CB -0.383 41.754 42.059 0.129 0.000 0.919 22 L HN 0.296 nan 8.230 nan 0.000 0.442 23 E N 0.643 120.873 120.200 0.049 0.000 2.047 23 E HA -0.277 4.073 4.350 0.001 0.000 0.191 23 E C 2.019 178.610 176.600 -0.015 0.000 0.987 23 E CA 1.235 57.640 56.400 0.008 0.000 0.799 23 E CB 0.207 29.906 29.700 -0.001 0.000 0.752 23 E HN 0.292 nan 8.360 nan 0.000 0.449 24 E N 0.441 120.625 120.200 -0.027 0.000 2.153 24 E HA -0.151 4.200 4.350 0.001 0.000 0.194 24 E C 1.645 178.207 176.600 -0.064 0.000 0.988 24 E CA 1.334 57.701 56.400 -0.054 0.000 0.811 24 E CB -0.237 29.412 29.700 -0.085 0.000 0.746 24 E HN 0.326 nan 8.360 nan 0.000 0.466 25 A N 0.738 123.525 122.820 -0.056 0.000 1.902 25 A HA -0.183 4.138 4.320 0.001 0.000 0.217 25 A C 2.209 179.752 177.584 -0.067 0.000 1.181 25 A CA 1.671 53.658 52.037 -0.082 0.000 0.623 25 A CB -0.446 18.509 19.000 -0.075 0.000 0.818 25 A HN 0.220 nan 8.150 nan 0.000 0.443 26 R N -0.589 119.885 120.500 -0.043 0.000 2.075 26 R HA -0.037 4.303 4.340 0.001 0.000 0.232 26 R C 2.449 178.727 176.300 -0.036 0.000 1.126 26 R CA 1.133 57.212 56.100 -0.035 0.000 0.963 26 R CB -0.476 29.812 30.300 -0.021 0.000 0.858 26 R HN 0.497 nan 8.270 nan 0.000 0.435 27 A N 1.439 124.237 122.820 -0.037 0.000 1.972 27 A HA -0.131 4.189 4.320 0.001 0.000 0.219 27 A C 1.655 179.214 177.584 -0.042 0.000 1.169 27 A CA 1.242 53.258 52.037 -0.035 0.000 0.635 27 A CB -0.093 18.886 19.000 -0.034 0.000 0.810 27 A HN 0.104 nan 8.150 nan 0.000 0.446 28 K N -1.198 119.167 120.400 -0.060 0.000 2.404 28 K HA 0.169 4.489 4.320 0.001 0.000 0.194 28 K C 0.953 177.520 176.600 -0.055 0.000 1.023 28 K CA 0.600 56.845 56.287 -0.069 0.000 1.094 28 K CB -0.020 32.409 32.500 -0.119 0.000 0.841 28 K HN 0.673 nan 8.250 nan 0.000 0.523 29 G N 2.168 110.941 108.800 -0.046 0.000 2.179 29 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 29 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 29 G C 0.109 174.982 174.900 -0.045 0.000 1.010 29 G CA 0.058 45.136 45.100 -0.037 0.000 0.736 29 G HN 0.208 nan 8.290 nan 0.000 0.513 30 L N -0.693 120.492 121.223 -0.064 0.000 2.417 30 L HA 0.373 4.713 4.340 0.001 0.000 0.268 30 L C 1.506 178.326 176.870 -0.082 0.000 1.158 30 L CA -0.692 54.103 54.840 -0.076 0.000 0.819 30 L CB 0.662 42.659 42.059 -0.103 0.000 1.112 30 L HN -0.130 nan 8.230 nan 0.000 0.458 31 K N 1.285 121.618 120.400 -0.112 0.000 2.393 31 K HA 0.297 4.617 4.320 0.001 0.000 0.193 31 K C 0.384 176.924 176.600 -0.101 0.000 1.026 31 K CA 0.070 56.293 56.287 -0.107 0.000 1.064 31 K CB 0.833 33.252 32.500 -0.136 0.000 0.833 31 K HN 0.827 nan 8.250 nan 0.000 0.521 32 G N -0.593 108.130 108.800 -0.128 0.000 2.576 32 G HA2 0.465 4.425 3.960 0.001 0.000 0.290 32 G HA3 0.465 4.425 3.960 0.001 0.000 0.290 32 G C -1.757 173.050 174.900 -0.156 0.000 1.442 32 G CA -0.492 44.543 45.100 -0.108 0.000 0.792 32 G HN -0.158 nan 8.290 nan 0.000 0.491 33 V N -0.187 119.587 119.914 -0.234 0.000 2.777 33 V HA 0.543 4.664 4.120 0.001 0.000 0.306 33 V C -0.688 175.174 176.094 -0.387 0.000 1.112 33 V CA -0.635 61.481 62.300 -0.307 0.000 0.917 33 V CB 2.029 33.605 31.823 -0.411 0.000 1.018 33 V HN 0.729 nan 8.190 nan 0.000 0.426 34 V N 5.413 125.173 119.914 -0.257 0.000 2.313 34 V HA 0.449 4.570 4.120 0.001 0.000 0.278 34 V C -0.353 175.673 176.094 -0.113 0.000 1.017 34 V CA -0.497 61.732 62.300 -0.119 0.000 0.823 34 V CB 1.034 32.927 31.823 0.117 0.000 1.010 34 V HN 0.658 nan 8.190 nan 0.000 0.443 35 F N 3.315 123.244 119.950 -0.034 0.000 2.538 35 F HA 0.356 4.883 4.527 0.001 0.000 0.371 35 F C 1.250 177.072 175.800 0.037 0.000 1.087 35 F CA 0.200 58.177 58.000 -0.038 0.000 1.250 35 F CB 1.141 40.079 39.000 -0.103 0.000 1.110 35 F HN 0.532 nan 8.300 nan 0.000 0.570 36 T N -0.372 114.226 114.554 0.072 0.000 3.658 36 T HA 0.195 4.546 4.350 0.001 0.000 0.245 36 T C -0.576 173.929 174.700 -0.324 0.000 1.292 36 T CA -0.962 61.085 62.100 -0.088 0.000 1.598 36 T CB -0.191 68.539 68.868 -0.231 0.000 0.861 36 T HN 0.362 nan 8.240 nan 0.000 0.663 37 D N 1.672 121.985 120.400 -0.146 0.000 2.361 37 D HA 0.057 4.697 4.640 0.001 0.000 0.239 37 D C 0.380 176.555 176.300 -0.208 0.000 1.200 37 D CA -0.157 53.717 54.000 -0.209 0.000 0.915 37 D CB 0.556 41.258 40.800 -0.164 0.000 1.170 37 D HN 0.414 nan 8.370 nan 0.000 0.444 38 H N 0.705 119.858 119.070 0.137 0.000 3.107 38 H HA 0.048 4.604 4.556 0.001 0.000 0.301 38 H C 0.565 175.860 175.328 -0.054 0.000 0.981 38 H CA 0.121 56.230 56.048 0.102 0.000 1.443 38 H CB -0.041 29.814 29.762 0.156 0.000 1.479 38 H HN 0.276 nan 8.280 nan 0.000 0.564 39 S N 4.451 120.174 115.700 0.038 0.000 2.584 39 S HA 0.210 4.681 4.470 0.001 0.000 0.270 39 S C -2.482 172.145 174.600 0.045 0.000 1.346 39 S CA -1.323 56.853 58.200 -0.041 0.000 1.018 39 S CB 1.118 64.284 63.200 -0.056 0.000 0.899 39 S HN 0.317 nan 8.310 nan 0.000 0.542 40 P HA 0.315 nan 4.420 nan 0.000 0.272 40 P C -0.453 176.965 177.300 0.196 0.000 1.230 40 P CA -0.196 62.980 63.100 0.127 0.000 0.788 40 P CB 0.382 32.190 31.700 0.180 0.000 0.949 41 M N 0.645 120.226 119.600 -0.031 0.000 2.683 41 M HA 0.412 4.892 4.480 0.001 0.000 0.274 41 M C -2.672 173.052 176.300 -0.959 0.000 1.272 41 M CA -2.582 52.422 55.300 -0.494 0.000 0.833 41 M CB 1.151 33.530 32.600 -0.369 0.000 1.708 41 M HN 0.006 nan 8.290 nan 0.000 0.463 42 P HA 0.096 nan 4.420 nan 0.000 0.265 42 P C -1.973 174.800 177.300 -0.879 0.000 1.187 42 P CA -0.497 61.883 63.100 -1.201 0.000 0.766 42 P CB -0.104 30.831 31.700 -1.275 0.000 0.820 43 P HA -0.201 nan 4.420 nan 0.000 0.218 43 P C 1.127 178.316 177.300 -0.186 0.000 1.152 43 P CA 1.613 64.573 63.100 -0.232 0.000 0.857 43 P CB -0.463 31.200 31.700 -0.061 0.000 0.787 44 W N -2.469 118.786 121.300 -0.076 0.000 2.595 44 W HA 0.034 4.694 4.660 0.001 0.000 0.257 44 W C 0.293 176.741 176.519 -0.117 0.000 1.267 44 W CA -0.223 57.073 57.345 -0.082 0.000 1.300 44 W CB -1.539 27.877 29.460 -0.073 0.000 1.120 44 W HN -0.004 nan 8.180 nan 0.000 0.618 45 Y N 4.463 124.300 120.300 -0.771 0.000 2.556 45 Y HA 0.163 4.714 4.550 0.001 0.000 0.352 45 Y C 0.573 176.223 175.900 -0.417 0.000 1.006 45 Y CA -0.342 57.317 58.100 -0.735 0.000 1.277 45 Y CB -0.321 37.422 38.460 -1.194 0.000 1.136 45 Y HN -0.005 nan 8.280 nan 0.000 0.523 46 D N 6.793 126.824 120.400 -0.616 0.000 2.859 46 D HA -0.203 4.438 4.640 0.001 0.000 0.215 46 D C -1.768 174.441 176.300 -0.152 0.000 1.253 46 D CA 0.622 54.423 54.000 -0.331 0.000 0.673 46 D CB 0.265 40.836 40.800 -0.382 0.000 0.941 46 D HN 0.456 nan 8.370 nan 0.000 0.394 47 P HA -0.142 nan 4.420 nan 0.000 0.223 47 P C 0.884 178.168 177.300 -0.027 0.000 1.151 47 P CA 0.949 64.010 63.100 -0.065 0.000 0.787 47 P CB 0.214 31.876 31.700 -0.063 0.000 0.788 48 E N -0.218 119.970 120.200 -0.021 0.000 2.427 48 E HA 0.028 4.378 4.350 0.001 0.000 0.196 48 E C 1.125 177.746 176.600 0.035 0.000 1.028 48 E CA 0.462 56.867 56.400 0.008 0.000 0.864 48 E CB -0.085 29.622 29.700 0.012 0.000 0.813 48 E HN 0.252 nan 8.360 nan 0.000 0.514 49 S N 0.522 116.227 115.700 0.008 0.000 2.568 49 S HA 0.119 4.589 4.470 0.001 0.000 0.232 49 S C 0.214 174.845 174.600 0.052 0.000 0.975 49 S CA -0.332 57.890 58.200 0.037 0.000 0.949 49 S CB 0.091 63.191 63.200 -0.166 0.000 0.829 49 S HN 0.230 nan 8.310 nan 0.000 0.479 50 R N 0.563 121.093 120.500 0.049 0.000 2.734 50 R HA 0.524 4.865 4.340 0.001 0.000 0.271 50 R C -0.667 175.654 176.300 0.034 0.000 1.021 50 R CA -1.071 55.073 56.100 0.074 0.000 0.893 50 R CB 0.687 31.044 30.300 0.096 0.000 1.244 50 R HN 0.200 nan 8.270 nan 0.000 0.464 51 M N 0.782 120.390 119.600 0.013 0.000 2.245 51 M HA 0.327 4.807 4.480 0.001 0.000 0.330 51 M C -0.350 175.954 176.300 0.007 0.000 1.098 51 M CA -0.027 55.268 55.300 -0.008 0.000 1.172 51 M CB 0.577 33.148 32.600 -0.048 0.000 1.467 51 M HN 0.428 nan 8.290 nan 0.000 0.454 52 R N 1.154 121.660 120.500 0.010 0.000 2.615 52 R HA 0.168 4.509 4.340 0.001 0.000 0.270 52 R C 0.995 177.327 176.300 0.053 0.000 1.081 52 R CA -0.658 55.457 56.100 0.024 0.000 1.154 52 R CB 0.522 30.832 30.300 0.017 0.000 1.063 52 R HN 0.772 nan 8.270 nan 0.000 0.519 53 L N 1.947 123.220 121.223 0.084 0.000 2.079 53 L HA -0.178 4.163 4.340 0.001 0.000 0.210 53 L C 1.741 178.667 176.870 0.094 0.000 1.081 53 L CA 1.912 56.822 54.840 0.116 0.000 0.752 53 L CB -0.330 41.834 42.059 0.176 0.000 0.896 53 L HN 0.575 nan 8.230 nan 0.000 0.433 54 E N -0.262 119.987 120.200 0.082 0.000 2.268 54 E HA -0.079 4.271 4.350 0.001 0.000 0.195 54 E C 2.038 178.708 176.600 0.117 0.000 0.995 54 E CA 1.035 57.487 56.400 0.087 0.000 0.836 54 E CB -0.182 29.557 29.700 0.066 0.000 0.763 54 E HN 0.638 nan 8.360 nan 0.000 0.491 55 A N 0.705 123.584 122.820 0.099 0.000 2.169 55 A HA -0.015 4.306 4.320 0.001 0.000 0.212 55 A C 2.057 179.764 177.584 0.204 0.000 1.153 55 A CA 0.097 52.215 52.037 0.135 0.000 0.756 55 A CB -0.271 18.751 19.000 0.037 0.000 0.813 55 A HN 0.198 nan 8.150 nan 0.000 0.471 56 L N 0.741 122.052 121.223 0.145 0.000 2.089 56 L HA -0.124 4.217 4.340 0.001 0.000 0.213 56 L C -0.844 176.119 176.870 0.156 0.000 1.079 56 L CA 2.493 57.422 54.840 0.148 0.000 0.758 56 L CB -1.136 40.996 42.059 0.121 0.000 0.891 56 L HN 0.167 nan 8.230 nan 0.000 0.433 57 P HA -0.158 nan 4.420 nan 0.000 0.216 57 P C 1.511 178.764 177.300 -0.079 0.000 1.150 57 P CA 1.576 64.673 63.100 -0.005 0.000 0.837 57 P CB -0.131 31.551 31.700 -0.029 0.000 0.786 58 F N -2.835 117.118 119.950 0.006 0.000 2.259 58 F HA -0.128 4.399 4.527 0.001 0.000 0.298 58 F C 2.396 178.190 175.800 -0.011 0.000 1.088 58 F CA 0.946 58.939 58.000 -0.011 0.000 1.358 58 F CB -0.867 38.130 39.000 -0.004 0.000 1.040 58 F HN -0.092 nan 8.300 nan 0.000 0.505 59 Y N 0.806 121.134 120.300 0.046 0.000 2.133 59 Y HA -0.186 4.365 4.550 0.001 0.000 0.287 59 Y C 1.988 177.804 175.900 -0.139 0.000 1.134 59 Y CA 1.503 59.570 58.100 -0.055 0.000 1.133 59 Y CB -0.625 37.817 38.460 -0.031 0.000 0.987 59 Y HN -0.051 nan 8.280 nan 0.000 0.502 60 L N -0.522 120.606 121.223 -0.158 0.000 1.976 60 L HA -0.246 4.095 4.340 0.001 0.000 0.209 60 L C 2.539 179.226 176.870 -0.306 0.000 1.071 60 L CA 1.546 56.151 54.840 -0.391 0.000 0.746 60 L CB -0.925 40.834 42.059 -0.499 0.000 0.890 60 L HN 0.259 nan 8.230 nan 0.000 0.432 61 L N -0.195 120.889 121.223 -0.231 0.000 2.012 61 L HA -0.231 4.109 4.340 0.001 0.000 0.210 61 L C 2.925 179.683 176.870 -0.185 0.000 1.073 61 L CA 1.311 56.031 54.840 -0.199 0.000 0.748 61 L CB -0.790 41.117 42.059 -0.252 0.000 0.891 61 L HN 0.270 nan 8.230 nan 0.000 0.431 62 A N 0.131 122.837 122.820 -0.190 0.000 1.883 62 A HA -0.198 4.123 4.320 0.001 0.000 0.217 62 A C 2.246 179.684 177.584 -0.243 0.000 1.186 62 A CA 1.682 53.610 52.037 -0.182 0.000 0.624 62 A CB -0.829 18.074 19.000 -0.162 0.000 0.822 62 A HN 0.380 nan 8.150 nan 0.000 0.444 63 L N -0.761 120.248 121.223 -0.358 0.000 2.141 63 L HA -0.184 4.157 4.340 0.001 0.000 0.209 63 L C 2.518 179.262 176.870 -0.211 0.000 1.094 63 L CA 1.435 56.040 54.840 -0.391 0.000 0.763 63 L CB -0.652 41.060 42.059 -0.578 0.000 0.908 63 L HN 0.504 nan 8.230 nan 0.000 0.437 64 E N -0.132 119.971 120.200 -0.162 0.000 2.150 64 E HA -0.247 4.104 4.350 0.001 0.000 0.193 64 E C 2.164 178.728 176.600 -0.060 0.000 0.985 64 E CA 0.779 57.135 56.400 -0.073 0.000 0.814 64 E CB -0.001 29.673 29.700 -0.043 0.000 0.752 64 E HN 0.267 nan 8.360 nan 0.000 0.466 65 R N 1.020 121.472 120.500 -0.081 0.000 2.062 65 R HA -0.096 4.245 4.340 0.001 0.000 0.229 65 R C 2.148 178.426 176.300 -0.036 0.000 1.128 65 R CA 1.113 57.181 56.100 -0.053 0.000 0.960 65 R CB -0.672 29.593 30.300 -0.059 0.000 0.855 65 R HN -0.025 nan 8.270 nan 0.000 0.432 66 V N 1.686 121.565 119.914 -0.058 0.000 2.332 66 V HA -0.255 3.865 4.120 0.001 0.000 0.248 66 V C 2.625 178.719 176.094 -0.000 0.000 1.055 66 V CA 2.280 64.567 62.300 -0.023 0.000 1.038 66 V CB -0.710 31.069 31.823 -0.072 0.000 0.651 66 V HN 0.416 nan 8.190 nan 0.000 0.450 67 R N 0.713 121.203 120.500 -0.017 0.000 2.073 67 R HA -0.228 4.113 4.340 0.001 0.000 0.234 67 R C 2.407 178.715 176.300 0.013 0.000 1.134 67 R CA 2.157 58.259 56.100 0.003 0.000 0.952 67 R CB -0.304 29.994 30.300 -0.002 0.000 0.850 67 R HN 0.831 nan 8.270 nan 0.000 0.433 68 E N -0.055 120.148 120.200 0.006 0.000 2.204 68 E HA -0.197 4.154 4.350 0.001 0.000 0.194 68 E C 1.742 178.349 176.600 0.012 0.000 0.989 68 E CA 0.896 57.302 56.400 0.010 0.000 0.824 68 E CB -0.170 29.532 29.700 0.003 0.000 0.756 68 E HN 0.300 nan 8.360 nan 0.000 0.477 69 R N 0.387 120.895 120.500 0.012 0.000 2.299 69 R HA 0.178 4.519 4.340 0.001 0.000 0.197 69 R C 0.430 176.742 176.300 0.019 0.000 0.971 69 R CA 0.674 56.783 56.100 0.015 0.000 1.030 69 R CB 0.501 30.812 30.300 0.018 0.000 0.932 69 R HN 0.144 nan 8.270 nan 0.000 0.477 70 A N 0.634 123.468 122.820 0.024 0.000 3.165 70 A HA 0.168 4.488 4.320 0.001 0.000 0.331 70 A C 0.554 178.154 177.584 0.026 0.000 1.034 70 A CA -0.555 51.497 52.037 0.026 0.000 0.906 70 A CB 0.461 19.482 19.000 0.035 0.000 1.054 70 A HN 0.032 nan 8.150 nan 0.000 0.484 71 Q N 0.951 120.764 119.800 0.023 0.000 2.297 71 Q HA -0.186 4.154 4.340 0.001 0.000 0.208 71 Q C 1.020 177.036 176.000 0.026 0.000 0.981 71 Q CA 1.730 57.548 55.803 0.026 0.000 0.876 71 Q CB -0.025 28.724 28.738 0.019 0.000 0.921 71 Q HN 0.965 nan 8.270 nan 0.000 0.446 72 D N -0.684 119.728 120.400 0.019 0.000 2.347 72 D HA -0.048 4.592 4.640 0.001 0.000 0.215 72 D C 0.672 176.982 176.300 0.015 0.000 0.976 72 D CA 0.275 54.283 54.000 0.013 0.000 0.884 72 D CB 0.158 40.961 40.800 0.006 0.000 0.915 72 D HN 0.162 nan 8.370 nan 0.000 0.526 73 L N -0.680 120.558 121.223 0.024 0.000 2.309 73 L HA 0.358 4.699 4.340 0.001 0.000 0.261 73 L C -0.993 175.921 176.870 0.074 0.000 1.021 73 L CA -1.636 53.220 54.840 0.027 0.000 0.823 73 L CB 1.875 43.933 42.059 -0.002 0.000 1.366 73 L HN -0.162 nan 8.230 nan 0.000 0.423 74 Y N 1.376 121.637 120.300 -0.065 0.000 2.327 74 Y HA 0.527 5.077 4.550 0.001 0.000 0.336 74 Y C -0.813 175.068 175.900 -0.031 0.000 1.035 74 Y CA -0.856 57.213 58.100 -0.052 0.000 1.165 74 Y CB 1.129 39.517 38.460 -0.120 0.000 1.181 74 Y HN 0.151 nan 8.280 nan 0.000 0.494 75 V N 7.407 127.022 119.914 -0.499 0.000 2.325 75 V HA 0.477 4.598 4.120 0.001 0.000 0.280 75 V C 0.550 176.276 176.094 -0.615 0.000 1.016 75 V CA -0.568 61.464 62.300 -0.447 0.000 0.818 75 V CB 0.873 32.647 31.823 -0.082 0.000 1.019 75 V HN 1.052 nan 8.190 nan 0.000 0.434 76 G N 4.380 112.681 108.800 -0.832 0.000 2.444 76 G HA2 0.655 4.615 3.960 0.001 0.000 0.268 76 G HA3 0.655 4.615 3.960 0.001 0.000 0.268 76 G C -0.508 174.415 174.900 0.038 0.000 1.203 76 G CA -0.455 44.437 45.100 -0.347 0.000 0.835 76 G HN 0.640 nan 8.290 nan 0.000 0.543 77 I N 2.398 123.078 120.570 0.183 0.000 2.464 77 I HA 0.431 4.601 4.170 0.001 0.000 0.277 77 I C 0.757 177.144 176.117 0.451 0.000 1.040 77 I CA -0.335 61.105 61.300 0.233 0.000 1.153 77 I CB 1.290 39.390 38.000 0.166 0.000 1.274 77 I HN 0.621 nan 8.210 nan 0.000 0.469 78 G N 6.063 115.116 108.800 0.421 0.000 3.251 78 G HA2 0.904 4.864 3.960 0.001 0.000 0.248 78 G HA3 0.904 4.864 3.960 0.001 0.000 0.248 78 G C -1.122 173.881 174.900 0.171 0.000 1.320 78 G CA -0.561 44.772 45.100 0.389 0.000 0.982 78 G HN 0.304 nan 8.290 nan 0.000 0.575 79 L N -0.730 120.416 121.223 -0.127 0.000 2.540 79 L HA 0.454 4.795 4.340 0.001 0.000 0.256 79 L C -1.067 175.609 176.870 -0.323 0.000 1.001 79 L CA -0.714 53.964 54.840 -0.271 0.000 0.843 79 L CB 3.006 44.766 42.059 -0.499 0.000 1.436 79 L HN 0.677 nan 8.230 nan 0.000 0.410 80 E N 1.670 121.697 120.200 -0.289 0.000 2.101 80 E HA 0.616 4.966 4.350 0.001 0.000 0.260 80 E C -1.040 175.493 176.600 -0.112 0.000 0.897 80 E CA -0.493 55.742 56.400 -0.274 0.000 0.744 80 E CB 1.470 31.032 29.700 -0.230 0.000 1.140 80 E HN 0.628 nan 8.360 nan 0.000 0.419 81 A N 4.373 127.105 122.820 -0.148 0.000 2.304 81 A HA 0.367 4.688 4.320 0.001 0.000 0.301 81 A C -0.611 176.944 177.584 -0.049 0.000 1.132 81 A CA -0.700 51.323 52.037 -0.024 0.000 0.819 81 A CB 0.852 19.913 19.000 0.101 0.000 1.094 81 A HN 0.709 nan 8.150 nan 0.000 0.492 82 D N 0.332 120.760 120.400 0.047 0.000 2.255 82 D HA 0.439 5.080 4.640 0.001 0.000 0.249 82 D C -0.908 175.433 176.300 0.069 0.000 1.078 82 D CA 0.469 54.489 54.000 0.033 0.000 0.896 82 D CB 0.885 41.740 40.800 0.092 0.000 1.194 82 D HN 0.347 nan 8.370 nan 0.000 0.429 83 F N 2.888 122.817 119.950 -0.036 0.000 2.404 83 F HA 0.421 4.948 4.527 0.001 0.000 0.354 83 F C -0.942 174.935 175.800 0.128 0.000 1.122 83 F CA -0.597 57.467 58.000 0.107 0.000 1.080 83 F CB 0.659 39.727 39.000 0.113 0.000 1.131 83 F HN 0.308 nan 8.300 nan 0.000 0.471 84 H N 6.504 125.081 119.070 -0.821 0.000 3.096 84 H HA 0.418 4.975 4.556 0.001 0.000 0.335 84 H C -2.846 172.089 175.328 -0.655 0.000 0.990 84 H CA -2.302 53.382 56.048 -0.606 0.000 1.393 84 H CB 1.775 31.339 29.762 -0.330 0.000 1.742 84 H HN 0.339 nan 8.280 nan 0.000 0.501 85 P HA 0.076 nan 4.420 nan 0.000 0.260 85 P C 0.751 177.867 177.300 -0.307 0.000 1.172 85 P CA 2.207 65.002 63.100 -0.509 0.000 0.760 85 P CB 0.541 32.028 31.700 -0.355 0.000 0.773 86 G N 2.424 111.135 108.800 -0.148 0.000 2.238 86 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 86 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 86 G C 0.790 175.717 174.900 0.045 0.000 0.996 86 G CA 0.367 45.447 45.100 -0.032 0.000 0.632 86 G HN 0.611 nan 8.290 nan 0.000 0.503 87 T N -1.342 113.216 114.554 0.007 0.000 3.054 87 T HA 0.401 4.751 4.350 0.001 0.000 0.255 87 T C 1.527 176.272 174.700 0.075 0.000 1.035 87 T CA 1.093 63.217 62.100 0.040 0.000 0.941 87 T CB 0.488 69.296 68.868 -0.100 0.000 1.026 87 T HN 0.256 nan 8.240 nan 0.000 0.533 88 E N 2.129 122.355 120.200 0.044 0.000 2.097 88 E HA 0.003 4.354 4.350 0.001 0.000 0.196 88 E C 2.386 179.025 176.600 0.064 0.000 1.000 88 E CA 1.569 58.008 56.400 0.066 0.000 0.804 88 E CB -0.961 28.783 29.700 0.073 0.000 0.740 88 E HN 0.624 nan 8.360 nan 0.000 0.454 89 G N 0.358 109.203 108.800 0.075 0.000 2.476 89 G HA2 -0.325 3.635 3.960 0.001 0.000 0.218 89 G HA3 -0.325 3.635 3.960 0.001 0.000 0.218 89 G C 1.474 176.425 174.900 0.085 0.000 1.164 89 G CA 0.866 46.006 45.100 0.068 0.000 0.768 89 G HN 0.307 nan 8.290 nan 0.000 0.560 90 F N 0.588 120.534 119.950 -0.008 0.000 2.095 90 F HA -0.043 4.485 4.527 0.001 0.000 0.298 90 F C 2.369 178.156 175.800 -0.022 0.000 1.104 90 F CA 1.193 59.184 58.000 -0.016 0.000 1.232 90 F CB -0.249 38.727 39.000 -0.040 0.000 0.987 90 F HN 0.076 nan 8.300 nan 0.000 0.475 91 L N 0.681 121.989 121.223 0.141 0.000 2.046 91 L HA -0.116 4.224 4.340 0.001 0.000 0.208 91 L C 2.706 179.535 176.870 -0.069 0.000 1.077 91 L CA 1.963 56.825 54.840 0.036 0.000 0.747 91 L CB -1.609 40.513 42.059 0.105 0.000 0.896 91 L HN 0.261 nan 8.230 nan 0.000 0.432 92 A N -1.365 121.420 122.820 -0.059 0.000 1.940 92 A HA -0.308 4.013 4.320 0.001 0.000 0.219 92 A C 2.297 179.841 177.584 -0.067 0.000 1.176 92 A CA 1.969 53.965 52.037 -0.068 0.000 0.631 92 A CB -0.607 18.361 19.000 -0.053 0.000 0.814 92 A HN 0.583 nan 8.150 nan 0.000 0.446 93 Q N -0.573 119.164 119.800 -0.105 0.000 2.079 93 Q HA -0.096 4.244 4.340 0.001 0.000 0.200 93 Q C 2.069 177.995 176.000 -0.123 0.000 0.974 93 Q CA 1.360 57.094 55.803 -0.116 0.000 0.840 93 Q CB -0.237 28.408 28.738 -0.155 0.000 0.898 93 Q HN 0.683 nan 8.270 nan 0.000 0.430 94 L N 0.508 121.599 121.223 -0.220 0.000 2.012 94 L HA -0.218 4.122 4.340 0.001 0.000 0.210 94 L C 2.166 179.103 176.870 0.111 0.000 1.073 94 L CA 1.410 56.168 54.840 -0.137 0.000 0.748 94 L CB -0.270 41.645 42.059 -0.241 0.000 0.891 94 L HN 0.400 nan 8.230 nan 0.000 0.431 95 L N -0.027 121.257 121.223 0.102 0.000 2.191 95 L HA -0.177 4.163 4.340 0.001 0.000 0.212 95 L C 2.515 179.517 176.870 0.221 0.000 1.103 95 L CA 1.204 56.197 54.840 0.254 0.000 0.769 95 L CB -0.542 41.578 42.059 0.103 0.000 0.908 95 L HN 0.454 nan 8.230 nan 0.000 0.438 96 R N -1.007 119.550 120.500 0.095 0.000 2.334 96 R HA 0.073 4.413 4.340 0.001 0.000 0.220 96 R C 1.492 177.814 176.300 0.038 0.000 0.917 96 R CA -0.123 56.008 56.100 0.052 0.000 1.073 96 R CB -0.023 30.285 30.300 0.014 0.000 1.056 96 R HN 0.086 nan 8.270 nan 0.000 0.506 97 R N 0.004 120.549 120.500 0.076 0.000 2.297 97 R HA 0.158 4.499 4.340 0.001 0.000 0.197 97 R C -0.654 175.684 176.300 0.062 0.000 0.943 97 R CA 0.306 56.441 56.100 0.059 0.000 1.038 97 R CB -0.338 30.004 30.300 0.070 0.000 0.957 97 R HN 0.289 nan 8.270 nan 0.000 0.484 98 Y N 0.044 120.216 120.300 -0.214 0.000 2.521 98 Y HA 0.255 4.805 4.550 0.001 0.000 0.328 98 Y C -2.506 173.120 175.900 -0.456 0.000 1.151 98 Y CA -2.287 55.543 58.100 -0.450 0.000 1.054 98 Y CB 2.325 40.281 38.460 -0.841 0.000 1.338 98 Y HN -0.145 nan 8.280 nan 0.000 0.453 99 P HA 0.143 nan 4.420 nan 0.000 0.230 99 P C -0.719 176.483 177.300 -0.163 0.000 1.791 99 P CA 0.253 63.138 63.100 -0.358 0.000 1.020 99 P CB -0.899 30.578 31.700 -0.371 0.000 1.977 100 F N 1.379 121.475 119.950 0.244 0.000 2.629 100 F HA -0.054 4.473 4.527 0.001 0.000 0.369 100 F C 1.865 177.845 175.800 0.299 0.000 1.125 100 F CA 0.770 58.980 58.000 0.349 0.000 1.330 100 F CB 0.100 39.281 39.000 0.302 0.000 1.071 100 F HN 0.186 nan 8.300 nan 0.000 0.595 101 D N 0.794 121.497 120.400 0.505 0.000 2.149 101 D HA -0.168 4.472 4.640 0.001 0.000 0.201 101 D C -0.330 176.250 176.300 0.466 0.000 0.972 101 D CA 1.680 55.937 54.000 0.429 0.000 0.835 101 D CB 0.115 41.178 40.800 0.439 0.000 0.966 101 D HN 0.408 nan 8.370 nan 0.000 0.476 102 Y N 0.020 120.499 120.300 0.299 0.000 2.442 102 Y HA 0.331 4.882 4.550 0.001 0.000 0.330 102 Y C -1.722 174.301 175.900 0.206 0.000 1.100 102 Y CA -1.041 57.157 58.100 0.163 0.000 1.034 102 Y CB 1.350 39.871 38.460 0.102 0.000 1.285 102 Y HN -0.400 nan 8.280 nan 0.000 0.440 103 V N 7.907 127.829 119.914 0.014 0.000 2.376 103 V HA 0.446 4.566 4.120 0.001 0.000 0.287 103 V C -0.176 175.592 176.094 -0.544 0.000 1.015 103 V CA -0.713 61.409 62.300 -0.296 0.000 0.834 103 V CB 1.260 32.980 31.823 -0.170 0.000 1.001 103 V HN 0.663 nan 8.190 nan 0.000 0.428 104 I N 3.799 123.958 120.570 -0.685 0.000 2.365 104 I HA 0.557 4.727 4.170 0.001 0.000 0.291 104 I C 0.966 176.718 176.117 -0.608 0.000 1.004 104 I CA -0.010 60.904 61.300 -0.643 0.000 1.311 104 I CB 1.503 39.106 38.000 -0.663 0.000 1.401 104 I HN 0.696 nan 8.210 nan 0.000 0.491 105 G N 4.031 112.318 108.800 -0.855 0.000 2.370 105 G HA2 0.570 4.531 3.960 0.001 0.000 0.317 105 G HA3 0.570 4.531 3.960 0.001 0.000 0.317 105 G C -0.789 173.573 174.900 -0.897 0.000 1.162 105 G CA -0.211 43.860 45.100 -1.715 0.000 0.922 105 G HN 0.552 nan 8.290 nan 0.000 0.454 106 S N 0.280 115.594 115.700 -0.643 0.000 2.542 106 S HA 0.580 5.050 4.470 0.001 0.000 0.293 106 S C -0.430 173.965 174.600 -0.340 0.000 1.089 106 S CA -0.566 57.359 58.200 -0.459 0.000 0.961 106 S CB 2.209 65.117 63.200 -0.487 0.000 1.062 106 S HN 0.468 nan 8.310 nan 0.000 0.483 107 V N 2.601 122.392 119.914 -0.205 0.000 2.370 107 V HA 0.348 4.468 4.120 0.001 0.000 0.279 107 V C -0.213 175.913 176.094 0.053 0.000 1.029 107 V CA -0.265 61.993 62.300 -0.069 0.000 0.870 107 V CB 0.898 32.554 31.823 -0.279 0.000 0.984 107 V HN 1.033 nan 8.190 nan 0.000 0.451 108 H N 2.593 121.865 119.070 0.336 0.000 3.170 108 H HA 0.347 4.904 4.556 0.001 0.000 0.264 108 H C -0.809 174.534 175.328 0.024 0.000 1.113 108 H CA 0.008 56.175 56.048 0.198 0.000 1.194 108 H CB 0.768 30.651 29.762 0.202 0.000 1.553 108 H HN 0.545 nan 8.280 nan 0.000 0.538 109 Y N 0.650 121.045 120.300 0.158 0.000 2.499 109 Y HA 0.445 4.995 4.550 0.001 0.000 0.347 109 Y C -0.825 175.145 175.900 0.116 0.000 0.987 109 Y CA -1.026 57.112 58.100 0.063 0.000 1.044 109 Y CB 1.915 40.408 38.460 0.054 0.000 1.245 109 Y HN -0.083 nan 8.280 nan 0.000 0.461 110 L N 3.161 124.521 121.223 0.228 0.000 2.345 110 L HA 0.561 4.901 4.340 0.001 0.000 0.274 110 L C 0.622 177.683 176.870 0.318 0.000 0.999 110 L CA -0.266 54.725 54.840 0.251 0.000 0.849 110 L CB 1.002 43.198 42.059 0.228 0.000 1.220 110 L HN 0.980 nan 8.230 nan 0.000 0.422 111 G N 3.086 112.068 108.800 0.303 0.000 2.561 111 G HA2 -0.359 3.601 3.960 0.001 0.000 0.289 111 G HA3 -0.359 3.601 3.960 0.001 0.000 0.289 111 G C 0.592 175.688 174.900 0.327 0.000 1.169 111 G CA 0.422 45.678 45.100 0.261 0.000 0.980 111 G HN 0.809 nan 8.290 nan 0.000 0.550 112 A N -1.084 121.891 122.820 0.259 0.000 2.387 112 A HA 0.493 4.814 4.320 0.001 0.000 0.234 112 A C 0.390 178.186 177.584 0.354 0.000 1.253 112 A CA 0.988 53.182 52.037 0.261 0.000 0.894 112 A CB -0.101 18.965 19.000 0.110 0.000 0.963 112 A HN 1.303 nan 8.150 nan 0.000 0.508 113 W N 2.726 124.080 121.300 0.091 0.000 2.316 113 W HA 0.509 5.169 4.660 0.001 0.000 0.308 113 W C -2.861 173.460 176.519 -0.331 0.000 1.106 113 W CA -3.169 54.101 57.345 -0.125 0.000 1.262 113 W CB 1.397 30.769 29.460 -0.146 0.000 1.233 113 W HN -0.002 nan 8.180 nan 0.000 0.447 114 P HA 0.002 nan 4.420 nan 0.000 0.251 114 P C 1.008 177.708 177.300 -1.001 0.000 1.718 114 P CA 0.005 62.362 63.100 -1.239 0.000 1.119 114 P CB 0.022 31.113 31.700 -1.016 0.000 1.762 115 L N 1.690 122.084 121.223 -1.382 0.000 2.261 115 L HA -0.098 4.242 4.340 0.001 0.000 0.216 115 L C 1.066 177.685 176.870 -0.418 0.000 1.114 115 L CA 1.804 55.718 54.840 -1.543 0.000 0.777 115 L CB -0.824 40.258 42.059 -1.628 0.000 0.910 115 L HN 0.115 nan 8.230 nan 0.000 0.440 116 D N -1.509 118.723 120.400 -0.280 0.000 2.340 116 D HA -0.085 4.556 4.640 0.001 0.000 0.217 116 D C 0.403 176.770 176.300 0.111 0.000 1.081 116 D CA -0.267 53.673 54.000 -0.100 0.000 0.842 116 D CB -0.621 40.015 40.800 -0.273 0.000 0.934 116 D HN 0.612 nan 8.370 nan 0.000 0.511 117 H N 0.978 120.054 119.070 0.010 0.000 2.742 117 H HA 0.174 4.730 4.556 0.001 0.000 0.302 117 H C -1.561 173.810 175.328 0.072 0.000 1.069 117 H CA -1.334 54.719 56.048 0.009 0.000 1.446 117 H CB 1.622 31.370 29.762 -0.022 0.000 1.462 117 H HN -0.232 nan 8.280 nan 0.000 0.499 118 P HA -0.207 nan 4.420 nan 0.000 0.216 118 P C 0.732 177.949 177.300 -0.138 0.000 1.154 118 P CA 1.316 64.359 63.100 -0.095 0.000 0.865 118 P CB 0.316 31.967 31.700 -0.082 0.000 0.789 119 D N -2.393 118.028 120.400 0.036 0.000 2.310 119 D HA -0.112 4.529 4.640 0.001 0.000 0.212 119 D C 0.942 176.947 176.300 -0.492 0.000 0.965 119 D CA 1.104 54.938 54.000 -0.276 0.000 0.879 119 D CB -0.396 40.150 40.800 -0.423 0.000 0.921 119 D HN 0.407 nan 8.370 nan 0.000 0.510 120 H N 0.071 119.182 119.070 0.068 0.000 2.512 120 H HA 0.115 4.672 4.556 0.001 0.000 0.276 120 H C 1.504 176.955 175.328 0.204 0.000 1.126 120 H CA 0.024 56.136 56.048 0.107 0.000 1.060 120 H CB 0.286 30.152 29.762 0.172 0.000 1.646 120 H HN 0.370 nan 8.280 nan 0.000 0.571 121 Q N 0.313 120.145 119.800 0.052 0.000 2.291 121 Q HA -0.104 4.236 4.340 0.001 0.000 0.205 121 Q C 1.797 177.954 176.000 0.262 0.000 0.970 121 Q CA 1.456 57.294 55.803 0.060 0.000 0.876 121 Q CB -0.333 27.934 28.738 -0.784 0.000 0.935 121 Q HN 0.445 nan 8.270 nan 0.000 0.455 122 E N 2.117 122.406 120.200 0.149 0.000 2.267 122 E HA -0.240 4.111 4.350 0.001 0.000 0.197 122 E C 1.656 178.404 176.600 0.246 0.000 0.998 122 E CA 1.404 57.911 56.400 0.179 0.000 0.830 122 E CB -0.638 29.144 29.700 0.136 0.000 0.751 122 E HN 0.623 nan 8.360 nan 0.000 0.491 123 E N -0.689 119.599 120.200 0.147 0.000 2.160 123 E HA -0.150 4.200 4.350 0.001 0.000 0.195 123 E C 1.536 178.061 176.600 -0.124 0.000 0.991 123 E CA 1.136 57.452 56.400 -0.140 0.000 0.810 123 E CB -0.598 28.628 29.700 -0.789 0.000 0.742 123 E HN 0.762 nan 8.360 nan 0.000 0.466 124 Y N -0.014 120.318 120.300 0.053 0.000 2.193 124 Y HA -0.202 4.348 4.550 0.001 0.000 0.285 124 Y C 2.296 178.209 175.900 0.021 0.000 1.166 124 Y CA 1.401 59.509 58.100 0.014 0.000 1.181 124 Y CB -0.620 37.752 38.460 -0.147 0.000 0.976 124 Y HN 0.180 nan 8.280 nan 0.000 0.520 125 A N -1.460 121.471 122.820 0.184 0.000 2.125 125 A HA -0.177 4.143 4.320 0.001 0.000 0.219 125 A C 1.381 178.857 177.584 -0.179 0.000 1.156 125 A CA 1.332 53.368 52.037 -0.003 0.000 0.671 125 A CB -1.042 17.902 19.000 -0.094 0.000 0.794 125 A HN 0.688 nan 8.150 nan 0.000 0.459 126 W N -0.206 121.041 121.300 -0.088 0.000 2.996 126 W HA 0.215 4.875 4.660 0.001 0.000 0.270 126 W C 1.032 177.475 176.519 -0.127 0.000 1.280 126 W CA -0.250 57.020 57.345 -0.123 0.000 1.549 126 W CB 0.335 29.679 29.460 -0.194 0.000 1.079 126 W HN 0.013 nan 8.180 nan 0.000 0.629 127 R N 0.533 121.058 120.500 0.041 0.000 2.700 127 R HA 0.267 4.607 4.340 0.001 0.000 0.253 127 R C -0.986 175.354 176.300 0.066 0.000 1.091 127 R CA -0.800 55.308 56.100 0.015 0.000 1.104 127 R CB 0.091 30.352 30.300 -0.065 0.000 1.202 127 R HN -0.176 nan 8.270 nan 0.000 0.532 128 D N 0.527 120.977 120.400 0.084 0.000 2.359 128 D HA 0.079 4.720 4.640 0.001 0.000 0.230 128 D C 1.022 177.422 176.300 0.167 0.000 1.118 128 D CA -0.435 53.633 54.000 0.113 0.000 0.844 128 D CB 0.746 41.606 40.800 0.099 0.000 1.059 128 D HN 0.248 nan 8.370 nan 0.000 0.493 129 L N 4.788 126.141 121.223 0.215 0.000 2.089 129 L HA -0.165 4.175 4.340 0.001 0.000 0.213 129 L C 1.965 179.065 176.870 0.384 0.000 1.079 129 L CA 1.945 56.976 54.840 0.319 0.000 0.758 129 L CB -0.566 41.707 42.059 0.357 0.000 0.891 129 L HN 0.563 nan 8.230 nan 0.000 0.433 130 K N -0.656 119.916 120.400 0.287 0.000 2.057 130 K HA -0.160 4.160 4.320 0.001 0.000 0.206 130 K C 1.899 178.662 176.600 0.270 0.000 1.050 130 K CA 1.555 58.010 56.287 0.280 0.000 0.935 130 K CB -0.079 32.531 32.500 0.183 0.000 0.715 130 K HN 0.487 nan 8.250 nan 0.000 0.439 131 E N -0.007 120.316 120.200 0.205 0.000 2.150 131 E HA -0.140 4.211 4.350 0.001 0.000 0.193 131 E C 1.931 178.640 176.600 0.181 0.000 0.985 131 E CA 1.062 57.567 56.400 0.175 0.000 0.814 131 E CB 0.128 29.907 29.700 0.131 0.000 0.752 131 E HN 0.095 nan 8.360 nan 0.000 0.466 132 V N 0.761 120.785 119.914 0.184 0.000 2.261 132 V HA -0.241 3.879 4.120 0.001 0.000 0.246 132 V C 1.929 178.060 176.094 0.062 0.000 1.047 132 V CA 1.678 64.053 62.300 0.126 0.000 1.015 132 V CB -0.510 31.375 31.823 0.105 0.000 0.642 132 V HN 0.177 nan 8.190 nan 0.000 0.446 133 F N 0.321 120.311 119.950 0.066 0.000 2.134 133 F HA -0.154 4.374 4.527 0.001 0.000 0.299 133 F C 2.640 178.416 175.800 -0.040 0.000 1.097 133 F CA 2.138 60.089 58.000 -0.081 0.000 1.264 133 F CB -0.420 38.588 39.000 0.013 0.000 1.001 133 F HN -0.027 nan 8.300 nan 0.000 0.479 134 R N 0.401 121.093 120.500 0.322 0.000 2.073 134 R HA -0.173 4.168 4.340 0.001 0.000 0.234 134 R C 2.348 178.790 176.300 0.237 0.000 1.134 134 R CA 1.452 57.739 56.100 0.312 0.000 0.952 134 R CB -0.570 29.877 30.300 0.246 0.000 0.850 134 R HN 0.250 nan 8.270 nan 0.000 0.433 135 A N -0.029 122.900 122.820 0.181 0.000 1.902 135 A HA -0.225 4.095 4.320 0.001 0.000 0.217 135 A C 2.034 179.698 177.584 0.133 0.000 1.181 135 A CA 1.383 53.511 52.037 0.151 0.000 0.623 135 A CB -0.892 18.194 19.000 0.143 0.000 0.818 135 A HN 0.619 nan 8.150 nan 0.000 0.443 136 Y N -0.619 119.660 120.300 -0.036 0.000 2.145 136 Y HA -0.210 4.340 4.550 0.001 0.000 0.286 136 Y C 1.963 177.861 175.900 -0.004 0.000 1.145 136 Y CA 2.039 60.075 58.100 -0.107 0.000 1.148 136 Y CB -0.403 37.852 38.460 -0.342 0.000 0.981 136 Y HN 0.291 nan 8.280 nan 0.000 0.507 137 F N 0.537 120.635 119.950 0.247 0.000 2.171 137 F HA -0.212 4.315 4.527 0.001 0.000 0.300 137 F C 2.421 178.254 175.800 0.055 0.000 1.090 137 F CA 1.492 59.584 58.000 0.152 0.000 1.293 137 F CB -1.147 37.982 39.000 0.215 0.000 1.013 137 F HN 0.150 nan 8.300 nan 0.000 0.486 138 Q N -0.145 119.802 119.800 0.246 0.000 2.170 138 Q HA -0.184 4.156 4.340 0.001 0.000 0.203 138 Q C 2.043 178.107 176.000 0.107 0.000 0.976 138 Q CA 1.327 57.225 55.803 0.158 0.000 0.858 138 Q CB -0.179 28.645 28.738 0.144 0.000 0.907 138 Q HN 0.328 nan 8.270 nan 0.000 0.433 139 E N -0.016 120.223 120.200 0.065 0.000 2.107 139 E HA -0.102 4.249 4.350 0.001 0.000 0.191 139 E C 2.154 178.766 176.600 0.020 0.000 0.982 139 E CA 0.689 57.143 56.400 0.091 0.000 0.809 139 E CB -0.040 29.673 29.700 0.023 0.000 0.756 139 E HN 0.173 nan 8.360 nan 0.000 0.459 140 V N 1.477 121.343 119.914 -0.080 0.000 2.343 140 V HA -0.240 3.880 4.120 0.001 0.000 0.247 140 V C 2.486 178.534 176.094 -0.076 0.000 1.051 140 V CA 2.000 64.248 62.300 -0.088 0.000 1.036 140 V CB -0.470 31.379 31.823 0.042 0.000 0.654 140 V HN 0.301 nan 8.190 nan 0.000 0.451 141 E N 0.454 120.652 120.200 -0.002 0.000 2.085 141 E HA -0.286 4.064 4.350 0.001 0.000 0.194 141 E C 2.211 178.758 176.600 -0.087 0.000 0.994 141 E CA 1.630 58.020 56.400 -0.016 0.000 0.801 141 E CB -0.057 29.663 29.700 0.033 0.000 0.743 141 E HN 0.610 nan 8.360 nan 0.000 0.453 142 K N 0.079 120.418 120.400 -0.101 0.000 2.026 142 K HA -0.094 4.226 4.320 0.001 0.000 0.208 142 K C 2.223 178.444 176.600 -0.632 0.000 1.048 142 K CA 1.107 57.292 56.287 -0.171 0.000 0.929 142 K CB -0.175 32.405 32.500 0.134 0.000 0.713 142 K HN 0.151 nan 8.250 nan 0.000 0.439 143 A N 1.543 123.725 122.820 -1.063 0.000 1.940 143 A HA -0.131 4.190 4.320 0.001 0.000 0.219 143 A C 2.348 179.742 177.584 -0.318 0.000 1.176 143 A CA 1.867 53.226 52.037 -1.131 0.000 0.631 143 A CB -0.669 17.923 19.000 -0.680 0.000 0.814 143 A HN 0.345 nan 8.150 nan 0.000 0.446 144 A N -0.729 121.965 122.820 -0.209 0.000 2.015 144 A HA -0.073 4.247 4.320 0.001 0.000 0.219 144 A C 2.086 179.620 177.584 -0.085 0.000 1.163 144 A CA 1.105 53.096 52.037 -0.077 0.000 0.646 144 A CB -0.258 18.712 19.000 -0.050 0.000 0.806 144 A HN 0.408 nan 8.150 nan 0.000 0.448 145 R N 0.178 120.603 120.500 -0.125 0.000 2.300 145 R HA 0.023 4.364 4.340 0.001 0.000 0.199 145 R C 2.050 178.286 176.300 -0.107 0.000 0.920 145 R CA 1.027 57.074 56.100 -0.089 0.000 1.046 145 R CB -0.596 29.668 30.300 -0.060 0.000 0.984 145 R HN 0.685 nan 8.270 nan 0.000 0.493 146 S N 0.123 115.717 115.700 -0.178 0.000 2.474 146 S HA -0.042 4.428 4.470 0.001 0.000 0.235 146 S C 1.552 176.030 174.600 -0.203 0.000 0.997 146 S CA 0.901 58.998 58.200 -0.172 0.000 0.949 146 S CB -0.192 62.871 63.200 -0.228 0.000 0.766 146 S HN 0.467 nan 8.310 nan 0.000 0.517 147 G N 0.816 109.491 108.800 -0.208 0.000 2.168 147 G HA2 -0.241 3.719 3.960 0.001 0.000 0.257 147 G HA3 -0.241 3.719 3.960 0.001 0.000 0.257 147 G C 0.442 175.155 174.900 -0.311 0.000 0.997 147 G CA 0.680 45.666 45.100 -0.189 0.000 0.708 147 G HN 0.587 nan 8.290 nan 0.000 0.520 148 L N -1.828 119.031 121.223 -0.607 0.000 2.556 148 L HA 0.443 4.784 4.340 0.001 0.000 0.226 148 L C 0.652 176.987 176.870 -0.892 0.000 1.089 148 L CA 0.050 54.373 54.840 -0.863 0.000 0.864 148 L CB 0.071 41.355 42.059 -1.291 0.000 1.067 148 L HN 0.166 nan 8.230 nan 0.000 0.477 149 F N -2.653 117.176 119.950 -0.201 0.000 2.579 149 F HA 0.350 4.877 4.527 0.001 0.000 0.324 149 F C 1.156 176.801 175.800 -0.258 0.000 1.058 149 F CA -0.990 56.843 58.000 -0.279 0.000 0.944 149 F CB 0.816 39.689 39.000 -0.212 0.000 1.245 149 F HN -0.190 nan 8.300 nan 0.000 0.477 150 H N 0.022 119.097 119.070 0.008 0.000 2.486 150 H HA 0.615 5.171 4.556 0.001 0.000 0.287 150 H C 0.127 175.472 175.328 0.029 0.000 1.010 150 H CA 0.651 56.630 56.048 -0.115 0.000 1.324 150 H CB 0.555 29.948 29.762 -0.615 0.000 1.446 150 H HN 0.592 nan 8.280 nan 0.000 0.537 151 A N 0.412 123.285 122.820 0.090 0.000 2.612 151 A HA 0.461 4.781 4.320 0.001 0.000 0.293 151 A C -1.602 175.964 177.584 -0.031 0.000 1.075 151 A CA -0.714 51.406 52.037 0.138 0.000 0.680 151 A CB 1.300 20.461 19.000 0.268 0.000 1.279 151 A HN 0.010 nan 8.150 nan 0.000 0.411 152 I N 2.042 122.612 120.570 0.000 0.000 2.315 152 I HA 0.394 4.564 4.170 0.001 0.000 0.291 152 I C 1.119 177.175 176.117 -0.101 0.000 1.006 152 I CA -0.008 61.234 61.300 -0.097 0.000 1.265 152 I CB 0.461 38.449 38.000 -0.020 0.000 1.387 152 I HN 0.802 nan 8.210 nan 0.000 0.475 153 G N 4.682 113.318 108.800 -0.273 0.000 2.503 153 G HA2 0.229 4.190 3.960 0.001 0.000 0.257 153 G HA3 0.229 4.190 3.960 0.001 0.000 0.257 153 G C 0.078 174.730 174.900 -0.413 0.000 1.214 153 G CA -0.363 44.504 45.100 -0.389 0.000 0.839 153 G HN 0.940 nan 8.290 nan 0.000 0.559 154 H N -0.429 118.699 119.070 0.096 0.000 1.828 154 H HA -0.200 4.357 4.556 0.001 0.000 0.319 154 H C 1.167 176.543 175.328 0.081 0.000 0.826 154 H CA 0.445 56.470 56.048 -0.037 0.000 1.059 154 H CB -1.388 28.034 29.762 -0.566 0.000 1.545 154 H HN 0.405 nan 8.280 nan 0.000 0.285 155 L N 1.012 122.433 121.223 0.331 0.000 2.064 155 L HA -0.226 4.115 4.340 0.001 0.000 0.216 155 L C 1.386 178.631 176.870 0.625 0.000 1.077 155 L CA 2.561 57.667 54.840 0.444 0.000 0.766 155 L CB -0.295 41.978 42.059 0.355 0.000 0.890 155 L HN 0.863 nan 8.230 nan 0.000 0.435 156 D N -1.566 119.143 120.400 0.514 0.000 2.894 156 D HA 0.013 4.653 4.640 0.001 0.000 0.273 156 D C 1.714 178.124 176.300 0.184 0.000 1.328 156 D CA -0.285 54.007 54.000 0.487 0.000 0.845 156 D CB -0.595 40.572 40.800 0.611 0.000 1.072 156 D HN 0.250 nan 8.370 nan 0.000 0.484 157 L N 0.941 122.048 121.223 -0.193 0.000 2.103 157 L HA -0.128 4.212 4.340 0.001 0.000 0.215 157 L C -0.892 175.676 176.870 -0.503 0.000 1.080 157 L CA 2.196 56.719 54.840 -0.528 0.000 0.764 157 L CB -1.297 40.315 42.059 -0.745 0.000 0.890 157 L HN 0.055 nan 8.230 nan 0.000 0.435 158 P HA -0.213 nan 4.420 nan 0.000 0.222 158 P C 0.974 178.052 177.300 -0.369 0.000 1.142 158 P CA 1.718 64.370 63.100 -0.747 0.000 0.788 158 P CB -0.270 30.501 31.700 -1.549 0.000 0.767 159 K N 0.146 120.540 120.400 -0.009 0.000 2.418 159 K HA -0.036 4.285 4.320 0.001 0.000 0.195 159 K C 1.893 178.496 176.600 0.004 0.000 1.035 159 K CA 0.485 56.887 56.287 0.192 0.000 1.003 159 K CB -0.342 32.348 32.500 0.317 0.000 0.793 159 K HN -0.078 nan 8.250 nan 0.000 0.494 160 K N 0.978 121.300 120.400 -0.130 0.000 2.090 160 K HA -0.210 4.111 4.320 0.001 0.000 0.218 160 K C 0.494 176.817 176.600 -0.461 0.000 1.055 160 K CA 2.097 58.169 56.287 -0.358 0.000 0.941 160 K CB -0.269 31.775 32.500 -0.760 0.000 0.722 160 K HN 0.271 nan 8.250 nan 0.000 0.458 161 F N -0.074 119.867 119.950 -0.016 0.000 2.663 161 F HA 0.286 4.813 4.527 0.001 0.000 0.299 161 F C 1.116 176.818 175.800 -0.163 0.000 1.143 161 F CA 0.301 58.280 58.000 -0.036 0.000 1.387 161 F CB 0.657 39.668 39.000 0.019 0.000 1.019 161 F HN 0.344 nan 8.300 nan 0.000 0.523 162 G N 0.254 109.019 108.800 -0.057 0.000 2.140 162 G HA2 -0.284 3.676 3.960 0.001 0.000 0.211 162 G HA3 -0.284 3.676 3.960 0.001 0.000 0.211 162 G C -0.369 174.359 174.900 -0.287 0.000 1.013 162 G CA -0.532 44.471 45.100 -0.162 0.000 0.705 162 G HN 0.542 nan 8.290 nan 0.000 0.508 163 H N 0.386 119.453 119.070 -0.005 0.000 2.486 163 H HA 0.501 5.057 4.556 0.001 0.000 0.239 163 H C 0.970 176.422 175.328 0.208 0.000 1.480 163 H CA -0.463 55.627 56.048 0.070 0.000 1.324 163 H CB 0.389 30.148 29.762 -0.005 0.000 1.486 163 H HN 0.357 nan 8.280 nan 0.000 0.544 164 R N 1.261 121.868 120.500 0.178 0.000 2.528 164 R HA 0.499 4.840 4.340 0.001 0.000 0.271 164 R C -0.391 175.938 176.300 0.049 0.000 1.056 164 R CA -0.617 55.555 56.100 0.119 0.000 1.117 164 R CB 1.209 31.539 30.300 0.051 0.000 1.085 164 R HN 0.339 nan 8.270 nan 0.000 0.530 165 L N 1.599 122.762 121.223 -0.100 0.000 2.303 165 L HA 0.494 4.834 4.340 0.001 0.000 0.266 165 L C -2.087 174.739 176.870 -0.073 0.000 1.011 165 L CA -2.337 52.428 54.840 -0.124 0.000 0.818 165 L CB 1.994 43.854 42.059 -0.332 0.000 1.326 165 L HN 0.346 nan 8.230 nan 0.000 0.435 166 P HA -0.000 nan 4.420 nan 0.000 0.267 166 P C 0.384 177.668 177.300 -0.027 0.000 1.205 166 P CA 0.084 63.173 63.100 -0.018 0.000 0.765 166 P CB 0.624 32.322 31.700 -0.003 0.000 0.828 167 E N 2.074 122.265 120.200 -0.015 0.000 2.169 167 E HA -0.329 4.022 4.350 0.001 0.000 0.202 167 E C 0.853 177.447 176.600 -0.010 0.000 1.016 167 E CA 1.712 58.105 56.400 -0.010 0.000 0.817 167 E CB 0.164 29.864 29.700 -0.000 0.000 0.736 167 E HN 0.437 nan 8.360 nan 0.000 0.462 168 E N 0.100 120.297 120.200 -0.005 0.000 2.107 168 E HA -0.075 4.276 4.350 0.001 0.000 0.191 168 E C 1.787 178.387 176.600 0.000 0.000 0.982 168 E CA 1.109 57.509 56.400 -0.001 0.000 0.809 168 E CB -0.292 29.410 29.700 0.004 0.000 0.756 168 E HN 0.410 nan 8.360 nan 0.000 0.459 169 A N 0.716 123.535 122.820 -0.002 0.000 1.898 169 A HA -0.120 4.200 4.320 0.001 0.000 0.216 169 A C 2.136 179.724 177.584 0.006 0.000 1.181 169 A CA 1.166 53.208 52.037 0.008 0.000 0.620 169 A CB -0.638 18.363 19.000 0.002 0.000 0.819 169 A HN 0.269 nan 8.150 nan 0.000 0.442 170 L N -0.233 120.972 121.223 -0.031 0.000 2.046 170 L HA -0.096 4.245 4.340 0.001 0.000 0.208 170 L C 2.294 179.147 176.870 -0.029 0.000 1.077 170 L CA 1.650 56.476 54.840 -0.023 0.000 0.747 170 L CB -0.478 41.549 42.059 -0.052 0.000 0.896 170 L HN 0.402 nan 8.230 nan 0.000 0.432 171 L N -0.665 120.538 121.223 -0.033 0.000 2.056 171 L HA -0.215 4.126 4.340 0.001 0.000 0.207 171 L C 2.590 179.426 176.870 -0.057 0.000 1.078 171 L CA 1.730 56.540 54.840 -0.051 0.000 0.749 171 L CB -0.567 41.477 42.059 -0.025 0.000 0.901 171 L HN 0.448 nan 8.230 nan 0.000 0.433 172 E N 0.646 120.834 120.200 -0.020 0.000 2.051 172 E HA -0.220 4.130 4.350 0.001 0.000 0.192 172 E C 2.308 178.911 176.600 0.005 0.000 0.991 172 E CA 1.126 57.525 56.400 -0.002 0.000 0.799 172 E CB -0.038 29.675 29.700 0.022 0.000 0.748 172 E HN 0.456 nan 8.360 nan 0.000 0.449 173 L N 0.156 121.405 121.223 0.042 0.000 2.156 173 L HA -0.043 4.298 4.340 0.001 0.000 0.208 173 L C 2.523 179.353 176.870 -0.067 0.000 1.095 173 L CA 0.887 55.810 54.840 0.138 0.000 0.770 173 L CB -0.277 42.010 42.059 0.379 0.000 0.914 173 L HN 0.204 nan 8.230 nan 0.000 0.439 174 A N -0.565 121.981 122.820 -0.457 0.000 2.132 174 A HA -0.109 4.211 4.320 0.001 0.000 0.213 174 A C 2.061 179.425 177.584 -0.368 0.000 1.154 174 A CA 0.730 52.222 52.037 -0.909 0.000 0.753 174 A CB -0.150 18.225 19.000 -1.043 0.000 0.826 174 A HN 0.313 nan 8.150 nan 0.000 0.469 175 E N 1.144 121.230 120.200 -0.189 0.000 2.048 175 E HA -0.177 4.173 4.350 0.001 0.000 0.202 175 E C -0.722 175.836 176.600 -0.069 0.000 1.021 175 E CA 2.525 58.866 56.400 -0.098 0.000 0.825 175 E CB -1.183 28.485 29.700 -0.052 0.000 0.756 175 E HN 0.411 nan 8.360 nan 0.000 0.454 176 P HA -0.188 nan 4.420 nan 0.000 0.216 176 P C 1.055 178.346 177.300 -0.015 0.000 1.153 176 P CA 2.436 65.530 63.100 -0.010 0.000 0.858 176 P CB -0.252 31.463 31.700 0.025 0.000 0.789 177 A N -0.776 122.028 122.820 -0.028 0.000 1.877 177 A HA -0.179 4.142 4.320 0.001 0.000 0.216 177 A C 2.236 179.804 177.584 -0.027 0.000 1.186 177 A CA 1.522 53.554 52.037 -0.009 0.000 0.620 177 A CB -1.669 17.339 19.000 0.014 0.000 0.822 177 A HN 0.113 nan 8.150 nan 0.000 0.443 178 L N -0.783 120.405 121.223 -0.058 0.000 2.083 178 L HA -0.189 4.151 4.340 0.001 0.000 0.209 178 L C 2.865 179.718 176.870 -0.029 0.000 1.083 178 L CA 1.037 55.854 54.840 -0.038 0.000 0.752 178 L CB -0.484 41.545 42.059 -0.050 0.000 0.899 178 L HN 0.345 nan 8.230 nan 0.000 0.433 179 R N 0.300 120.782 120.500 -0.030 0.000 2.073 179 R HA -0.129 4.211 4.340 0.001 0.000 0.234 179 R C 2.317 178.604 176.300 -0.022 0.000 1.134 179 R CA 1.536 57.622 56.100 -0.024 0.000 0.952 179 R CB -1.048 29.240 30.300 -0.019 0.000 0.850 179 R HN 0.347 nan 8.270 nan 0.000 0.433 180 A N 1.155 123.964 122.820 -0.019 0.000 1.902 180 A HA -0.108 4.212 4.320 0.001 0.000 0.217 180 A C 2.568 180.140 177.584 -0.020 0.000 1.181 180 A CA 1.683 53.709 52.037 -0.019 0.000 0.623 180 A CB -0.647 18.341 19.000 -0.020 0.000 0.818 180 A HN 0.110 nan 8.150 nan 0.000 0.443 181 V N -0.202 119.702 119.914 -0.017 0.000 2.343 181 V HA -0.253 3.867 4.120 0.001 0.000 0.247 181 V C 3.031 179.104 176.094 -0.034 0.000 1.051 181 V CA 1.989 64.282 62.300 -0.012 0.000 1.036 181 V CB -1.229 30.595 31.823 0.000 0.000 0.654 181 V HN 0.632 nan 8.190 nan 0.000 0.451 182 A N -0.333 122.462 122.820 -0.042 0.000 1.873 182 A HA -0.211 4.109 4.320 0.001 0.000 0.215 182 A C 2.181 179.735 177.584 -0.050 0.000 1.186 182 A CA 1.715 53.716 52.037 -0.060 0.000 0.616 182 A CB -0.469 18.502 19.000 -0.048 0.000 0.823 182 A HN 0.605 nan 8.150 nan 0.000 0.442 183 E N -0.253 119.927 120.200 -0.033 0.000 2.077 183 E HA -0.126 4.224 4.350 0.001 0.000 0.193 183 E C 2.070 178.658 176.600 -0.020 0.000 0.989 183 E CA 1.038 57.423 56.400 -0.025 0.000 0.800 183 E CB -0.255 29.434 29.700 -0.019 0.000 0.746 183 E HN 0.602 nan 8.360 nan 0.000 0.452 184 A N 0.247 123.056 122.820 -0.017 0.000 2.169 184 A HA 0.211 4.531 4.320 0.001 0.000 0.212 184 A C 1.742 179.333 177.584 0.011 0.000 1.153 184 A CA 0.858 52.892 52.037 -0.004 0.000 0.756 184 A CB -0.224 18.773 19.000 -0.005 0.000 0.813 184 A HN 0.339 nan 8.150 nan 0.000 0.471 185 G N -1.594 107.196 108.800 -0.017 0.000 2.147 185 G HA2 -0.178 3.782 3.960 0.001 0.000 0.244 185 G HA3 -0.178 3.782 3.960 0.001 0.000 0.244 185 G C -0.084 174.817 174.900 0.002 0.000 1.005 185 G CA 0.332 45.413 45.100 -0.033 0.000 0.713 185 G HN 0.338 nan 8.290 nan 0.000 0.515 186 L N -0.658 120.580 121.223 0.024 0.000 2.456 186 L HA 0.803 5.143 4.340 0.001 0.000 0.257 186 L C 0.811 177.703 176.870 0.037 0.000 1.162 186 L CA -0.380 54.555 54.840 0.158 0.000 0.808 186 L CB 0.387 42.528 42.059 0.137 0.000 1.136 186 L HN 0.107 nan 8.230 nan 0.000 0.466 187 F N 0.144 120.177 119.950 0.139 0.000 2.509 187 F HA 0.573 5.100 4.527 0.001 0.000 0.334 187 F C -0.159 175.715 175.800 0.123 0.000 1.060 187 F CA -0.807 57.273 58.000 0.133 0.000 0.997 187 F CB 1.080 40.223 39.000 0.238 0.000 1.271 187 F HN 0.050 nan 8.300 nan 0.000 0.488 188 L N 0.965 122.365 121.223 0.294 0.000 2.317 188 L HA 0.290 4.630 4.340 0.001 0.000 0.281 188 L C -0.916 176.091 176.870 0.228 0.000 1.024 188 L CA -0.817 54.146 54.840 0.205 0.000 0.810 188 L CB 1.543 43.685 42.059 0.138 0.000 1.240 188 L HN 0.519 nan 8.230 nan 0.000 0.427 189 D N 2.724 123.246 120.400 0.203 0.000 2.359 189 D HA 0.154 4.794 4.640 0.001 0.000 0.250 189 D C -0.547 175.888 176.300 0.225 0.000 1.264 189 D CA -0.204 53.935 54.000 0.231 0.000 0.911 189 D CB 0.848 41.754 40.800 0.176 0.000 1.056 189 D HN 0.069 nan 8.370 nan 0.000 0.499 190 V N 5.623 125.649 119.914 0.186 0.000 2.338 190 V HA 0.142 4.263 4.120 0.001 0.000 0.255 190 V C 0.538 176.743 176.094 0.185 0.000 1.082 190 V CA -0.731 61.653 62.300 0.139 0.000 0.951 190 V CB 0.168 31.999 31.823 0.013 0.000 1.102 190 V HN 0.546 nan 8.190 nan 0.000 0.489 191 N N 3.491 122.369 118.700 0.296 0.000 2.439 191 N HA 0.101 4.842 4.740 0.001 0.000 0.249 191 N C 1.278 176.987 175.510 0.332 0.000 1.003 191 N CA 0.046 53.318 53.050 0.370 0.000 0.942 191 N CB 1.938 40.740 38.487 0.525 0.000 1.115 191 N HN 0.718 nan 8.380 nan 0.000 0.505 192 T N 0.167 114.902 114.554 0.302 0.000 3.160 192 T HA 0.047 4.397 4.350 0.001 0.000 0.257 192 T C 1.619 176.486 174.700 0.278 0.000 1.147 192 T CA 0.521 62.804 62.100 0.306 0.000 1.064 192 T CB 0.046 69.195 68.868 0.468 0.000 0.949 192 T HN 0.373 nan 8.240 nan 0.000 0.526 193 A N 1.578 124.547 122.820 0.248 0.000 2.019 193 A HA 0.250 4.570 4.320 0.001 0.000 0.219 193 A C 2.585 180.202 177.584 0.055 0.000 1.164 193 A CA 1.267 53.392 52.037 0.147 0.000 0.644 193 A CB -1.451 17.683 19.000 0.223 0.000 0.805 193 A HN 0.605 nan 8.150 nan 0.000 0.449 194 G N -0.250 108.475 108.800 -0.124 0.000 2.448 194 G HA2 -0.138 3.823 3.960 0.001 0.000 0.219 194 G HA3 -0.138 3.823 3.960 0.001 0.000 0.219 194 G C 1.419 176.174 174.900 -0.241 0.000 1.127 194 G CA 0.957 45.696 45.100 -0.602 0.000 0.766 194 G HN 0.474 nan 8.290 nan 0.000 0.552 195 L N -0.459 120.736 121.223 -0.047 0.000 2.313 195 L HA 0.092 4.433 4.340 0.001 0.000 0.214 195 L C 2.834 179.739 176.870 0.059 0.000 1.119 195 L CA 0.464 55.347 54.840 0.073 0.000 0.809 195 L CB -0.082 42.143 42.059 0.277 0.000 0.933 195 L HN 0.150 nan 8.230 nan 0.000 0.449 196 R N -0.560 119.911 120.500 -0.049 0.000 2.297 196 R HA 0.103 4.444 4.340 0.001 0.000 0.197 196 R C 0.282 176.527 176.300 -0.091 0.000 0.943 196 R CA 0.026 56.038 56.100 -0.147 0.000 1.038 196 R CB 0.182 30.273 30.300 -0.348 0.000 0.957 196 R HN 0.188 nan 8.270 nan 0.000 0.484 197 R N 0.076 120.529 120.500 -0.078 0.000 2.782 197 R HA 0.254 4.594 4.340 0.001 0.000 0.258 197 R C -1.932 174.339 176.300 -0.047 0.000 1.055 197 R CA -2.655 53.406 56.100 -0.064 0.000 1.065 197 R CB -0.266 29.970 30.300 -0.106 0.000 1.172 197 R HN -0.273 nan 8.270 nan 0.000 0.510 198 P HA -0.150 nan 4.420 nan 0.000 0.220 198 P C 0.852 178.127 177.300 -0.041 0.000 1.144 198 P CA 1.679 64.775 63.100 -0.006 0.000 0.800 198 P CB 0.125 31.851 31.700 0.043 0.000 0.772 199 A N 0.196 122.972 122.820 -0.074 0.000 1.933 199 A HA -0.186 4.134 4.320 0.001 0.000 0.218 199 A C 1.081 178.617 177.584 -0.080 0.000 1.175 199 A CA 1.247 53.232 52.037 -0.088 0.000 0.628 199 A CB -1.027 17.883 19.000 -0.150 0.000 0.814 199 A HN 0.154 nan 8.150 nan 0.000 0.444 200 K N -0.412 119.942 120.400 -0.077 0.000 3.156 200 K HA -0.201 4.119 4.320 0.001 0.000 0.266 200 K C -0.249 176.319 176.600 -0.053 0.000 0.966 200 K CA 1.181 57.443 56.287 -0.042 0.000 0.719 200 K CB -1.353 31.136 32.500 -0.017 0.000 1.333 200 K HN 0.835 nan 8.250 nan 0.000 0.468 201 E N 0.074 120.206 120.200 -0.114 0.000 2.381 201 E HA 0.221 4.572 4.350 0.001 0.000 0.286 201 E C -0.257 176.214 176.600 -0.215 0.000 0.960 201 E CA -0.681 55.653 56.400 -0.111 0.000 0.793 201 E CB 1.775 31.427 29.700 -0.081 0.000 1.225 201 E HN 0.130 nan 8.360 nan 0.000 0.420 202 V N 1.376 121.220 119.914 -0.116 0.000 3.139 202 V HA 0.196 4.316 4.120 0.001 0.000 0.307 202 V C -0.684 175.339 176.094 -0.119 0.000 1.095 202 V CA 0.162 62.398 62.300 -0.106 0.000 1.160 202 V CB -0.045 31.784 31.823 0.011 0.000 1.003 202 V HN 0.518 nan 8.190 nan 0.000 0.489 203 Y N 4.347 124.720 120.300 0.122 0.000 2.335 203 Y HA 0.627 5.177 4.550 0.001 0.000 0.339 203 Y C -1.979 174.007 175.900 0.143 0.000 0.987 203 Y CA -2.510 55.682 58.100 0.154 0.000 1.140 203 Y CB 1.467 40.054 38.460 0.211 0.000 1.173 203 Y HN 0.579 nan 8.280 nan 0.000 0.486 204 P HA 0.373 nan 4.420 nan 0.000 0.285 204 P C -0.769 176.635 177.300 0.173 0.000 1.285 204 P CA -0.646 62.622 63.100 0.279 0.000 0.854 204 P CB 1.446 33.299 31.700 0.255 0.000 1.180 205 A N 2.107 125.025 122.820 0.163 0.000 2.555 205 A HA 0.097 4.418 4.320 0.001 0.000 0.233 205 A C -1.272 176.366 177.584 0.091 0.000 1.060 205 A CA -0.395 51.703 52.037 0.101 0.000 0.759 205 A CB -1.548 17.510 19.000 0.096 0.000 0.995 205 A HN 0.412 nan 8.150 nan 0.000 0.506 206 P HA -0.266 nan 4.420 nan 0.000 0.216 206 P C 1.699 179.051 177.300 0.086 0.000 1.157 206 P CA 2.688 65.836 63.100 0.079 0.000 0.880 206 P CB 0.077 31.813 31.700 0.060 0.000 0.791 207 A N -1.096 121.763 122.820 0.064 0.000 1.940 207 A HA -0.182 4.138 4.320 0.001 0.000 0.219 207 A C 2.190 179.809 177.584 0.059 0.000 1.176 207 A CA 1.523 53.591 52.037 0.052 0.000 0.631 207 A CB -1.597 17.423 19.000 0.033 0.000 0.814 207 A HN 0.144 nan 8.150 nan 0.000 0.446 208 L N -0.928 120.339 121.223 0.072 0.000 2.109 208 L HA -0.090 4.251 4.340 0.001 0.000 0.207 208 L C 2.462 179.396 176.870 0.107 0.000 1.086 208 L CA 0.658 55.541 54.840 0.070 0.000 0.760 208 L CB -0.464 41.648 42.059 0.088 0.000 0.910 208 L HN 0.353 nan 8.230 nan 0.000 0.437 209 L N -0.370 120.938 121.223 0.142 0.000 2.083 209 L HA -0.217 4.123 4.340 0.001 0.000 0.209 209 L C 2.825 179.888 176.870 0.321 0.000 1.083 209 L CA 1.172 56.148 54.840 0.228 0.000 0.752 209 L CB -0.485 41.692 42.059 0.196 0.000 0.899 209 L HN 0.264 nan 8.230 nan 0.000 0.433 210 R N 0.283 120.897 120.500 0.190 0.000 2.073 210 R HA -0.230 4.111 4.340 0.001 0.000 0.234 210 R C 2.499 178.828 176.300 0.049 0.000 1.134 210 R CA 1.588 57.745 56.100 0.094 0.000 0.952 210 R CB -0.130 30.200 30.300 0.050 0.000 0.850 210 R HN 0.053 nan 8.270 nan 0.000 0.433 211 R N 0.726 121.257 120.500 0.053 0.000 2.083 211 R HA -0.044 4.297 4.340 0.001 0.000 0.237 211 R C 2.005 178.328 176.300 0.040 0.000 1.137 211 R CA 2.011 58.126 56.100 0.024 0.000 0.951 211 R CB -0.955 29.351 30.300 0.011 0.000 0.851 211 R HN 0.375 nan 8.270 nan 0.000 0.434 212 A N 0.469 123.347 122.820 0.096 0.000 1.948 212 A HA -0.219 4.101 4.320 0.001 0.000 0.220 212 A C 2.287 179.948 177.584 0.130 0.000 1.177 212 A CA 1.857 53.968 52.037 0.123 0.000 0.636 212 A CB -0.623 18.489 19.000 0.187 0.000 0.815 212 A HN 0.435 nan 8.150 nan 0.000 0.449 213 R N -0.244 120.330 120.500 0.123 0.000 2.092 213 R HA -0.108 4.232 4.340 0.001 0.000 0.231 213 R C 1.887 178.122 176.300 -0.107 0.000 1.119 213 R CA 1.529 57.565 56.100 -0.106 0.000 0.970 213 R CB -0.225 29.707 30.300 -0.614 0.000 0.864 213 R HN 0.677 nan 8.270 nan 0.000 0.440 214 E N 0.155 120.313 120.200 -0.070 0.000 2.204 214 E HA -0.138 4.213 4.350 0.001 0.000 0.194 214 E C 1.452 178.027 176.600 -0.043 0.000 0.989 214 E CA 0.848 57.212 56.400 -0.060 0.000 0.824 214 E CB 0.100 29.774 29.700 -0.044 0.000 0.756 214 E HN 0.376 nan 8.360 nan 0.000 0.477 215 L N -0.329 120.877 121.223 -0.028 0.000 2.592 215 L HA 0.191 4.531 4.340 0.001 0.000 0.227 215 L C 1.146 177.993 176.870 -0.038 0.000 1.127 215 L CA 0.128 54.951 54.840 -0.029 0.000 0.884 215 L CB 0.110 42.156 42.059 -0.023 0.000 1.065 215 L HN 0.219 nan 8.230 nan 0.000 0.457 216 G N 1.208 109.987 108.800 -0.035 0.000 2.198 216 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 216 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 216 G C 0.217 175.078 174.900 -0.065 0.000 1.025 216 G CA -0.085 44.990 45.100 -0.041 0.000 0.769 216 G HN 0.329 nan 8.290 nan 0.000 0.507 217 I N 1.187 121.738 120.570 -0.032 0.000 2.441 217 I HA 0.451 4.621 4.170 0.001 0.000 0.287 217 I C 1.423 177.514 176.117 -0.043 0.000 1.049 217 I CA 0.060 61.303 61.300 -0.096 0.000 1.381 217 I CB 1.074 39.056 38.000 -0.031 0.000 1.409 217 I HN 0.161 nan 8.210 nan 0.000 0.523 218 G N 6.496 115.114 108.800 -0.304 0.000 2.537 218 G HA2 0.626 4.586 3.960 0.001 0.000 0.273 218 G HA3 0.626 4.586 3.960 0.001 0.000 0.273 218 G C -0.652 174.372 174.900 0.207 0.000 1.189 218 G CA -0.602 44.441 45.100 -0.094 0.000 0.881 218 G HN 0.474 nan 8.290 nan 0.000 0.535 219 L N -0.184 121.256 121.223 0.362 0.000 2.362 219 L HA 0.582 4.922 4.340 0.001 0.000 0.271 219 L C -0.772 176.287 176.870 0.315 0.000 1.002 219 L CA -1.109 53.871 54.840 0.233 0.000 0.818 219 L CB 2.473 44.481 42.059 -0.086 0.000 1.298 219 L HN 0.175 nan 8.230 nan 0.000 0.420 220 V N 3.430 123.502 119.914 0.262 0.000 2.447 220 V HA 0.312 4.432 4.120 0.001 0.000 0.292 220 V C -0.145 176.060 176.094 0.184 0.000 1.021 220 V CA -0.485 61.961 62.300 0.243 0.000 0.850 220 V CB 1.712 33.687 31.823 0.254 0.000 1.005 220 V HN 0.425 nan 8.190 nan 0.000 0.426 221 L N 4.049 125.339 121.223 0.111 0.000 2.426 221 L HA 0.746 5.087 4.340 0.001 0.000 0.271 221 L C 0.874 177.831 176.870 0.145 0.000 1.169 221 L CA 1.102 55.921 54.840 -0.035 0.000 0.836 221 L CB 0.926 42.749 42.059 -0.393 0.000 1.112 221 L HN 0.815 nan 8.230 nan 0.000 0.465 222 G N -0.203 108.728 108.800 0.218 0.000 2.720 222 G HA2 0.447 4.408 3.960 0.001 0.000 0.295 222 G HA3 0.447 4.408 3.960 0.001 0.000 0.295 222 G C -0.046 175.160 174.900 0.510 0.000 1.437 222 G CA 0.192 45.573 45.100 0.469 0.000 0.886 222 G HN 0.576 nan 8.290 nan 0.000 0.509 223 S N -0.149 115.849 115.700 0.498 0.000 2.492 223 S HA 0.140 4.611 4.470 0.001 0.000 0.218 223 S C 0.853 175.574 174.600 0.201 0.000 1.016 223 S CA 1.145 59.586 58.200 0.400 0.000 0.916 223 S CB 0.150 63.511 63.200 0.268 0.000 0.791 223 S HN 0.881 nan 8.310 nan 0.000 0.513 224 D N 1.344 121.769 120.400 0.041 0.000 2.835 224 D HA -0.135 4.505 4.640 0.001 0.000 0.230 224 D C 0.073 176.523 176.300 0.251 0.000 1.130 224 D CA 0.836 54.762 54.000 -0.123 0.000 0.738 224 D CB -1.596 39.130 40.800 -0.124 0.000 1.090 224 D HN 0.763 nan 8.370 nan 0.000 0.433 225 A N 0.196 123.153 122.820 0.229 0.000 2.488 225 A HA 0.302 4.622 4.320 0.001 0.000 0.249 225 A C 0.666 178.439 177.584 0.316 0.000 1.083 225 A CA 0.382 52.587 52.037 0.279 0.000 0.768 225 A CB 0.235 19.371 19.000 0.227 0.000 1.017 225 A HN 0.429 nan 8.150 nan 0.000 0.496 226 H N 0.928 120.138 119.070 0.235 0.000 2.674 226 H HA 0.310 4.867 4.556 0.001 0.000 0.274 226 H C -0.023 175.432 175.328 0.210 0.000 1.121 226 H CA 0.197 56.390 56.048 0.242 0.000 1.132 226 H CB 0.377 30.211 29.762 0.121 0.000 1.606 226 H HN 0.667 nan 8.280 nan 0.000 0.558 227 R N -0.467 120.144 120.500 0.184 0.000 2.626 227 R HA 0.199 4.539 4.340 0.001 0.000 0.274 227 R C -2.305 173.735 176.300 -0.433 0.000 1.031 227 R CA -1.772 54.289 56.100 -0.065 0.000 0.898 227 R CB 2.097 32.383 30.300 -0.023 0.000 1.222 227 R HN -0.080 nan 8.270 nan 0.000 0.455 228 P HA -0.261 nan 4.420 nan 0.000 0.215 228 P C 0.939 178.030 177.300 -0.348 0.000 1.157 228 P CA 1.282 63.869 63.100 -0.855 0.000 0.874 228 P CB 0.222 31.596 31.700 -0.544 0.000 0.790 229 E N 0.755 120.836 120.200 -0.198 0.000 2.273 229 E HA -0.245 4.105 4.350 0.001 0.000 0.198 229 E C 1.302 177.882 176.600 -0.032 0.000 1.002 229 E CA 1.407 57.755 56.400 -0.086 0.000 0.828 229 E CB -1.021 28.653 29.700 -0.044 0.000 0.747 229 E HN 0.416 nan 8.360 nan 0.000 0.491 230 E N 0.868 121.037 120.200 -0.051 0.000 2.427 230 E HA 0.058 4.408 4.350 0.001 0.000 0.196 230 E C 0.270 176.898 176.600 0.048 0.000 1.028 230 E CA -0.051 56.363 56.400 0.023 0.000 0.864 230 E CB 0.416 30.115 29.700 -0.002 0.000 0.813 230 E HN 0.024 nan 8.360 nan 0.000 0.514 231 V N 1.250 121.143 119.914 -0.035 0.000 2.788 231 V HA -0.006 4.114 4.120 0.001 0.000 0.307 231 V C 1.492 177.442 176.094 -0.241 0.000 1.069 231 V CA 1.304 63.550 62.300 -0.090 0.000 1.173 231 V CB 0.529 32.299 31.823 -0.088 0.000 0.925 231 V HN 0.557 nan 8.190 nan 0.000 0.492 232 G N 4.141 112.586 108.800 -0.593 0.000 2.212 232 G HA2 -0.334 3.626 3.960 0.001 0.000 0.267 232 G HA3 -0.334 3.626 3.960 0.001 0.000 0.267 232 G C 0.100 174.593 174.900 -0.679 0.000 1.002 232 G CA 0.450 44.712 45.100 -1.397 0.000 0.729 232 G HN 0.916 nan 8.290 nan 0.000 0.517 233 F N 0.816 120.608 119.950 -0.264 0.000 2.604 233 F HA 0.273 4.800 4.527 0.001 0.000 0.393 233 F C 1.444 177.369 175.800 0.209 0.000 1.043 233 F CA 0.825 58.828 58.000 0.006 0.000 1.227 233 F CB 0.179 39.212 39.000 0.056 0.000 1.016 233 F HN 1.486 nan 8.300 nan 0.000 0.556 234 A N 4.643 127.091 122.820 -0.620 0.000 2.790 234 A HA -0.317 4.003 4.320 0.001 0.000 0.277 234 A C 1.349 178.984 177.584 0.085 0.000 1.435 234 A CA 1.279 53.095 52.037 -0.368 0.000 0.877 234 A CB -2.663 16.048 19.000 -0.483 0.000 1.007 234 A HN 0.766 nan 8.150 nan 0.000 0.613 235 F N -0.466 119.426 119.950 -0.097 0.000 2.126 235 F HA -0.049 4.479 4.527 0.001 0.000 0.299 235 F C 0.282 176.071 175.800 -0.019 0.000 1.096 235 F CA 1.933 59.923 58.000 -0.017 0.000 1.255 235 F CB -1.720 37.286 39.000 0.010 0.000 0.997 235 F HN 0.268 nan 8.300 nan 0.000 0.479 236 P HA -0.148 nan 4.420 nan 0.000 0.215 236 P C 1.352 178.669 177.300 0.029 0.000 1.157 236 P CA 1.712 64.851 63.100 0.066 0.000 0.863 236 P CB 0.010 31.728 31.700 0.030 0.000 0.787 237 E N -0.661 119.541 120.200 0.004 0.000 2.058 237 E HA -0.133 4.217 4.350 0.001 0.000 0.194 237 E C 1.999 178.598 176.600 -0.001 0.000 0.997 237 E CA 1.164 57.559 56.400 -0.009 0.000 0.801 237 E CB -1.306 28.372 29.700 -0.037 0.000 0.746 237 E HN 0.011 nan 8.360 nan 0.000 0.450 238 V N 0.807 120.717 119.914 -0.006 0.000 2.515 238 V HA -0.264 3.857 4.120 0.001 0.000 0.250 238 V C 2.431 178.503 176.094 -0.035 0.000 1.058 238 V CA 1.861 64.145 62.300 -0.026 0.000 1.064 238 V CB -0.482 31.305 31.823 -0.059 0.000 0.675 238 V HN 0.270 nan 8.190 nan 0.000 0.461 239 Q N -0.115 119.668 119.800 -0.028 0.000 2.124 239 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 239 Q C 2.264 178.275 176.000 0.018 0.000 0.977 239 Q CA 1.893 57.691 55.803 -0.008 0.000 0.850 239 Q CB -0.243 28.512 28.738 0.027 0.000 0.901 239 Q HN 0.659 nan 8.270 nan 0.000 0.429 240 A N 0.583 123.415 122.820 0.021 0.000 1.873 240 A HA -0.178 4.142 4.320 0.001 0.000 0.215 240 A C 1.979 179.585 177.584 0.037 0.000 1.186 240 A CA 1.321 53.376 52.037 0.029 0.000 0.616 240 A CB -0.853 18.160 19.000 0.021 0.000 0.823 240 A HN 0.492 nan 8.150 nan 0.000 0.442 241 L N 0.066 121.308 121.223 0.030 0.000 2.013 241 L HA -0.187 4.154 4.340 0.001 0.000 0.212 241 L C 2.305 179.223 176.870 0.080 0.000 1.073 241 L CA 1.945 56.811 54.840 0.043 0.000 0.753 241 L CB -0.497 41.579 42.059 0.029 0.000 0.890 241 L HN 0.423 nan 8.230 nan 0.000 0.432 242 L N -0.638 120.623 121.223 0.065 0.000 2.017 242 L HA -0.199 4.141 4.340 0.001 0.000 0.208 242 L C 2.734 179.749 176.870 0.243 0.000 1.073 242 L CA 1.274 56.195 54.840 0.136 0.000 0.745 242 L CB -1.126 40.908 42.059 -0.041 0.000 0.894 242 L HN 0.426 nan 8.230 nan 0.000 0.432 243 A N 0.538 123.438 122.820 0.134 0.000 1.902 243 A HA -0.135 4.185 4.320 0.001 0.000 0.217 243 A C 2.394 180.033 177.584 0.093 0.000 1.181 243 A CA 1.718 53.822 52.037 0.112 0.000 0.623 243 A CB -1.310 17.730 19.000 0.067 0.000 0.818 243 A HN 0.450 nan 8.150 nan 0.000 0.443 244 G N -0.571 108.278 108.800 0.081 0.000 2.479 244 G HA2 -0.093 3.868 3.960 0.001 0.000 0.220 244 G HA3 -0.093 3.868 3.960 0.001 0.000 0.220 244 G C 1.316 176.255 174.900 0.064 0.000 1.115 244 G CA 0.969 46.105 45.100 0.059 0.000 0.757 244 G HN 0.462 nan 8.290 nan 0.000 0.560 245 L N -0.491 120.801 121.223 0.115 0.000 2.567 245 L HA 0.302 4.643 4.340 0.001 0.000 0.225 245 L C 2.026 178.876 176.870 -0.034 0.000 1.119 245 L CA 0.546 55.443 54.840 0.095 0.000 0.871 245 L CB 0.281 42.488 42.059 0.246 0.000 1.036 245 L HN 0.376 nan 8.230 nan 0.000 0.459 246 G N -0.566 108.224 108.800 -0.018 0.000 2.231 246 G HA2 -0.241 3.720 3.960 0.001 0.000 0.206 246 G HA3 -0.241 3.720 3.960 0.001 0.000 0.206 246 G C 0.117 174.927 174.900 -0.150 0.000 0.996 246 G CA -0.668 44.359 45.100 -0.122 0.000 0.645 246 G HN 0.097 nan 8.290 nan 0.000 0.498 247 F N 1.129 121.079 119.950 -0.001 0.000 2.471 247 F HA 0.594 5.121 4.527 0.001 0.000 0.353 247 F C 1.739 177.527 175.800 -0.020 0.000 1.113 247 F CA -0.071 57.926 58.000 -0.004 0.000 1.262 247 F CB 0.827 39.828 39.000 0.002 0.000 1.146 247 F HN -0.134 nan 8.300 nan 0.000 0.578 248 R N 1.119 121.702 120.500 0.138 0.000 2.469 248 R HA 0.250 4.590 4.340 0.001 0.000 0.250 248 R C -0.339 175.953 176.300 -0.013 0.000 0.909 248 R CA 0.180 56.309 56.100 0.048 0.000 1.050 248 R CB 0.540 30.848 30.300 0.014 0.000 1.256 248 R HN 0.705 nan 8.270 nan 0.000 0.550 249 E N -0.543 119.637 120.200 -0.033 0.000 2.416 249 E HA 0.723 5.074 4.350 0.001 0.000 0.273 249 E C -1.360 175.039 176.600 -0.335 0.000 0.935 249 E CA -0.752 55.493 56.400 -0.257 0.000 0.784 249 E CB 2.548 32.050 29.700 -0.331 0.000 1.301 249 E HN 0.065 nan 8.360 nan 0.000 0.454 250 A N 0.889 123.233 122.820 -0.794 0.000 2.530 250 A HA 0.823 5.143 4.320 0.001 0.000 0.288 250 A C -1.870 175.157 177.584 -0.928 0.000 1.172 250 A CA -0.480 51.168 52.037 -0.649 0.000 0.733 250 A CB 0.957 19.578 19.000 -0.632 0.000 1.320 250 A HN 0.550 nan 8.150 nan 0.000 0.419 251 Y N -1.396 118.775 120.300 -0.214 0.000 2.609 251 Y HA 0.646 5.197 4.550 0.001 0.000 0.342 251 Y C -0.756 175.199 175.900 0.091 0.000 1.058 251 Y CA -0.552 57.466 58.100 -0.136 0.000 1.055 251 Y CB 2.258 40.553 38.460 -0.274 0.000 1.292 251 Y HN 0.817 nan 8.280 nan 0.000 0.476 252 Y N -1.353 118.981 120.300 0.055 0.000 2.519 252 Y HA 0.704 5.255 4.550 0.001 0.000 0.336 252 Y C -2.084 173.702 175.900 -0.190 0.000 1.089 252 Y CA -2.349 55.738 58.100 -0.021 0.000 1.025 252 Y CB 0.794 39.300 38.460 0.077 0.000 1.318 252 Y HN 0.435 nan 8.280 nan 0.000 0.452 253 F N 2.249 122.075 119.950 -0.206 0.000 2.385 253 F HA 0.683 5.211 4.527 0.001 0.000 0.336 253 F C -0.347 175.483 175.800 0.051 0.000 1.100 253 F CA -1.028 56.852 58.000 -0.200 0.000 1.116 253 F CB 1.865 40.695 39.000 -0.283 0.000 1.166 253 F HN 0.360 nan 8.300 nan 0.000 0.511 254 V N 2.296 122.257 119.914 0.078 0.000 2.482 254 V HA 0.209 4.330 4.120 0.001 0.000 0.295 254 V C -0.432 175.727 176.094 0.107 0.000 1.026 254 V CA -1.195 61.168 62.300 0.105 0.000 0.856 254 V CB 1.337 33.086 31.823 -0.124 0.000 1.001 254 V HN 0.865 nan 8.190 nan 0.000 0.424 255 E N 3.520 123.832 120.200 0.187 0.000 2.360 255 E HA -0.277 4.074 4.350 0.001 0.000 0.238 255 E C 1.218 177.907 176.600 0.148 0.000 1.186 255 E CA 0.613 57.097 56.400 0.141 0.000 0.719 255 E CB -1.249 28.494 29.700 0.073 0.000 1.236 255 E HN 1.556 nan 8.360 nan 0.000 0.386 256 G N -0.907 108.010 108.800 0.195 0.000 2.184 256 G HA2 -0.365 3.596 3.960 0.001 0.000 0.264 256 G HA3 -0.365 3.596 3.960 0.001 0.000 0.264 256 G C 0.204 175.201 174.900 0.162 0.000 0.975 256 G CA 0.478 45.675 45.100 0.161 0.000 0.642 256 G HN 0.409 nan 8.290 nan 0.000 0.536 257 S N 1.988 117.733 115.700 0.075 0.000 2.503 257 S HA 0.700 5.170 4.470 0.001 0.000 0.301 257 S C -2.431 171.820 174.600 -0.580 0.000 1.087 257 S CA -0.967 57.160 58.200 -0.121 0.000 1.042 257 S CB 3.065 66.211 63.200 -0.090 0.000 1.043 257 S HN 0.273 nan 8.310 nan 0.000 0.489 258 P HA 0.286 nan 4.420 nan 0.000 0.279 258 P C -1.166 175.753 177.300 -0.635 0.000 1.239 258 P CA -0.332 61.930 63.100 -1.396 0.000 0.789 258 P CB 0.768 31.555 31.700 -1.522 0.000 0.933 259 V N 2.943 122.458 119.914 -0.665 0.000 2.448 259 V HA 0.537 4.657 4.120 0.001 0.000 0.295 259 V C 0.556 176.349 176.094 -0.503 0.000 1.025 259 V CA -0.838 61.107 62.300 -0.592 0.000 0.859 259 V CB 1.379 32.625 31.823 -0.963 0.000 0.988 259 V HN 0.733 nan 8.190 nan 0.000 0.431 260 A N 5.069 127.668 122.820 -0.369 0.000 2.302 260 A HA 0.901 5.221 4.320 0.001 0.000 0.285 260 A C -0.886 176.529 177.584 -0.282 0.000 1.105 260 A CA -0.269 51.405 52.037 -0.606 0.000 0.816 260 A CB 0.653 19.337 19.000 -0.526 0.000 1.067 260 A HN 1.341 nan 8.150 nan 0.000 0.489 261 Y N -0.334 119.749 120.300 -0.362 0.000 2.519 261 Y HA 0.672 5.223 4.550 0.001 0.000 0.336 261 Y C -3.189 172.631 175.900 -0.133 0.000 1.089 261 Y CA -2.983 55.022 58.100 -0.159 0.000 1.025 261 Y CB 1.068 39.515 38.460 -0.021 0.000 1.318 261 Y HN 0.474 nan 8.280 nan 0.000 0.452 262 P HA 0.160 nan 4.420 nan 0.000 0.271 262 P C -0.444 176.915 177.300 0.098 0.000 1.220 262 P CA 0.070 63.181 63.100 0.017 0.000 0.768 262 P CB 1.637 33.361 31.700 0.040 0.000 0.848 263 L N 1.966 123.197 121.223 0.013 0.000 2.439 263 L HA 0.118 4.458 4.340 0.001 0.000 0.269 263 L C 1.378 178.298 176.870 0.084 0.000 1.179 263 L CA -0.060 54.820 54.840 0.067 0.000 0.828 263 L CB 0.442 42.515 42.059 0.023 0.000 1.106 263 L HN 0.452 nan 8.230 nan 0.000 0.467 264 S N 2.980 118.740 115.700 0.100 0.000 2.548 264 S HA 0.277 4.747 4.470 0.001 0.000 0.277 264 S C 0.183 174.815 174.600 0.053 0.000 1.315 264 S CA -0.738 57.506 58.200 0.072 0.000 1.050 264 S CB 0.371 63.615 63.200 0.072 0.000 0.918 264 S HN 0.422 nan 8.310 nan 0.000 0.497 265 R N 0.000 120.524 120.500 0.041 0.000 2.786 265 R HA 0.000 4.340 4.340 0.001 0.000 0.208 265 R CA 0.000 56.120 56.100 0.032 0.000 0.921 265 R CB 0.000 30.316 30.300 0.026 0.000 0.687 265 R HN 0.000 nan 8.270 nan 0.000 0.535