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 2yzm_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PXXXXXXXXX XXRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 R N 2.810 123.311 120.500 0.002 0.000 2.445 2 R HA 0.914 5.249 4.340 -0.008 0.000 0.308 2 R C -1.547 174.846 176.300 0.156 0.000 0.961 2 R CA -0.616 55.522 56.100 0.062 0.000 0.862 2 R CB 1.587 31.864 30.300 -0.038 0.000 1.144 2 R HN 0.525 nan 8.270 nan 0.000 0.447 3 V N 5.639 125.676 119.914 0.206 0.000 2.435 3 V HA 0.331 4.446 4.120 -0.008 0.000 0.290 3 V C -0.602 175.639 176.094 0.244 0.000 1.030 3 V CA -0.915 61.509 62.300 0.206 0.000 0.881 3 V CB 1.509 33.411 31.823 0.131 0.000 0.983 3 V HN 0.602 nan 8.190 nan 0.000 0.445 4 L N 6.227 127.506 121.223 0.094 0.000 2.265 4 L HA 0.625 4.960 4.340 -0.008 0.000 0.289 4 L C -0.796 176.044 176.870 -0.049 0.000 1.033 4 L CA -0.187 54.507 54.840 -0.245 0.000 0.814 4 L CB 1.190 42.823 42.059 -0.710 0.000 1.203 4 L HN 0.610 nan 8.230 nan 0.000 0.423 5 L N 6.797 127.980 121.223 -0.067 0.000 2.282 5 L HA 0.585 4.920 4.340 -0.008 0.000 0.288 5 L C -0.817 175.994 176.870 -0.099 0.000 1.033 5 L CA 0.039 54.828 54.840 -0.085 0.000 0.807 5 L CB 0.946 42.920 42.059 -0.141 0.000 1.209 5 L HN 0.576 nan 8.230 nan 0.000 0.423 6 I N 5.641 126.160 120.570 -0.085 0.000 2.355 6 I HA 0.716 4.881 4.170 -0.008 0.000 0.288 6 I C -0.049 175.966 176.117 -0.170 0.000 0.999 6 I CA -0.324 60.907 61.300 -0.115 0.000 1.163 6 I CB 1.405 39.378 38.000 -0.046 0.000 1.316 6 I HN 0.800 nan 8.210 nan 0.000 0.454 7 A N 4.151 126.854 122.820 -0.195 0.000 2.532 7 A HA 0.989 5.304 4.320 -0.008 0.000 0.290 7 A C 0.234 177.702 177.584 -0.194 0.000 1.143 7 A CA 0.048 51.975 52.037 -0.183 0.000 0.728 7 A CB 1.518 20.417 19.000 -0.168 0.000 1.317 7 A HN 0.989 nan 8.150 nan 0.000 0.414 8 G N -0.600 108.083 108.800 -0.195 0.000 3.110 8 G HA2 0.548 4.503 3.960 -0.008 0.000 0.238 8 G HA3 0.548 4.503 3.960 -0.008 0.000 0.238 8 G C 1.434 176.350 174.900 0.026 0.000 1.647 8 G CA 1.003 45.938 45.100 -0.276 0.000 1.146 8 G HN 3.151 nan 8.290 nan 0.000 0.545 9 G N -2.405 106.475 108.800 0.133 0.000 2.690 9 G HA2 0.253 4.208 3.960 -0.008 0.000 0.686 9 G HA3 0.253 4.208 3.960 -0.008 0.000 0.686 9 G C 0.813 175.839 174.900 0.211 0.000 1.277 9 G CA 0.816 45.994 45.100 0.130 0.000 0.799 9 G HN 2.088 nan 8.290 nan 0.000 0.613 10 V N 1.289 121.283 119.914 0.134 0.000 2.719 10 V HA 0.182 4.297 4.120 -0.008 0.000 0.252 10 V C 2.227 178.376 176.094 0.091 0.000 1.065 10 V CA 2.527 64.884 62.300 0.094 0.000 1.086 10 V CB -0.691 31.219 31.823 0.146 0.000 0.700 10 V HN 2.201 nan 8.190 nan 0.000 0.467 11 S N 0.807 116.575 115.700 0.113 0.000 2.572 11 S HA 0.073 4.538 4.470 -0.008 0.000 0.262 11 S C -1.151 173.493 174.600 0.074 0.000 1.375 11 S CA 0.094 58.338 58.200 0.074 0.000 0.996 11 S CB -0.064 63.179 63.200 0.072 0.000 0.892 11 S HN 0.345 nan 8.310 nan 0.000 0.562 12 P HA 0.021 nan 4.420 nan 0.000 0.230 12 P C 0.277 177.604 177.300 0.046 0.000 1.158 12 P CA 0.909 64.026 63.100 0.028 0.000 0.769 12 P CB -0.070 31.622 31.700 -0.012 0.000 0.807 13 E N -2.104 118.129 120.200 0.055 0.000 2.368 13 E HA -0.045 4.300 4.350 -0.008 0.000 0.188 13 E C 1.118 177.781 176.600 0.104 0.000 1.061 13 E CA -0.090 56.330 56.400 0.033 0.000 0.933 13 E CB -0.448 29.230 29.700 -0.037 0.000 1.091 13 E HN 0.404 nan 8.360 nan 0.000 0.458 14 H N 3.020 122.110 119.070 0.033 0.000 2.289 14 H HA -0.206 4.344 4.556 -0.009 0.000 0.296 14 H C 2.233 177.580 175.328 0.031 0.000 1.091 14 H CA 2.512 58.581 56.048 0.035 0.000 1.274 14 H CB 0.330 30.103 29.762 0.018 0.000 1.364 14 H HN 0.191 nan 8.280 nan 0.000 0.490 15 E N 0.531 120.767 120.200 0.060 0.000 2.085 15 E HA -0.133 4.212 4.350 -0.008 0.000 0.194 15 E C 2.452 179.031 176.600 -0.035 0.000 0.994 15 E CA 1.502 57.896 56.400 -0.009 0.000 0.801 15 E CB -1.108 28.623 29.700 0.052 0.000 0.743 15 E HN 0.456 nan 8.360 nan 0.000 0.453 16 V N 1.781 121.684 119.914 -0.019 0.000 2.407 16 V HA -0.248 3.867 4.120 -0.008 0.000 0.248 16 V C 2.827 178.937 176.094 0.028 0.000 1.055 16 V CA 1.889 64.171 62.300 -0.030 0.000 1.049 16 V CB -0.752 31.002 31.823 -0.115 0.000 0.662 16 V HN 0.404 nan 8.190 nan 0.000 0.455 17 S N -0.115 115.630 115.700 0.075 0.000 2.351 17 S HA -0.198 4.267 4.470 -0.008 0.000 0.220 17 S C 1.975 176.579 174.600 0.008 0.000 1.035 17 S CA 1.968 60.258 58.200 0.150 0.000 1.031 17 S CB -0.386 62.867 63.200 0.088 0.000 0.928 17 S HN 0.513 nan 8.310 nan 0.000 0.433 18 L N 0.942 122.104 121.223 -0.103 0.000 2.079 18 L HA -0.136 4.199 4.340 -0.008 0.000 0.210 18 L C 2.552 179.401 176.870 -0.035 0.000 1.081 18 L CA 1.243 56.018 54.840 -0.110 0.000 0.752 18 L CB -0.659 41.299 42.059 -0.168 0.000 0.896 18 L HN 0.365 nan 8.230 nan 0.000 0.433 19 L N -1.109 120.110 121.223 -0.006 0.000 2.083 19 L HA -0.185 4.150 4.340 -0.008 0.000 0.209 19 L C 2.716 179.629 176.870 0.072 0.000 1.083 19 L CA 1.020 55.877 54.840 0.028 0.000 0.752 19 L CB -0.428 41.647 42.059 0.027 0.000 0.899 19 L HN 0.173 nan 8.230 nan 0.000 0.433 20 S N -0.298 115.465 115.700 0.105 0.000 2.368 20 S HA -0.124 4.341 4.470 -0.008 0.000 0.224 20 S C 2.207 176.876 174.600 0.116 0.000 1.029 20 S CA 1.066 59.382 58.200 0.193 0.000 0.988 20 S CB -0.208 63.172 63.200 0.299 0.000 0.838 20 S HN 0.486 nan 8.310 nan 0.000 0.462 21 A N 1.489 124.314 122.820 0.009 0.000 1.908 21 A HA -0.216 4.099 4.320 -0.008 0.000 0.218 21 A C 2.022 179.589 177.584 -0.028 0.000 1.181 21 A CA 1.909 53.898 52.037 -0.080 0.000 0.627 21 A CB -0.685 18.252 19.000 -0.104 0.000 0.818 21 A HN 0.622 nan 8.150 nan 0.000 0.445 22 E N -0.626 119.581 120.200 0.012 0.000 2.077 22 E HA -0.134 4.211 4.350 -0.008 0.000 0.193 22 E C 2.069 178.717 176.600 0.080 0.000 0.989 22 E CA 1.115 57.532 56.400 0.028 0.000 0.800 22 E CB -0.440 29.277 29.700 0.030 0.000 0.746 22 E HN 0.520 nan 8.360 nan 0.000 0.452 23 G N 0.404 109.301 108.800 0.162 0.000 2.418 23 G HA2 -0.211 3.744 3.960 -0.008 0.000 0.217 23 G HA3 -0.211 3.744 3.960 -0.008 0.000 0.217 23 G C 1.638 176.786 174.900 0.413 0.000 1.158 23 G CA 0.878 46.175 45.100 0.329 0.000 0.771 23 G HN 0.234 nan 8.290 nan 0.000 0.545 24 V N 0.495 120.547 119.914 0.230 0.000 2.427 24 V HA -0.067 4.048 4.120 -0.008 0.000 0.248 24 V C 2.746 178.849 176.094 0.014 0.000 1.051 24 V CA 1.000 63.338 62.300 0.064 0.000 1.048 24 V CB -0.347 31.360 31.823 -0.193 0.000 0.666 24 V HN 0.230 nan 8.190 nan 0.000 0.456 25 L N 0.870 122.091 121.223 -0.003 0.000 2.131 25 L HA -0.124 4.211 4.340 -0.008 0.000 0.210 25 L C 2.447 179.294 176.870 -0.039 0.000 1.092 25 L CA 1.952 56.781 54.840 -0.019 0.000 0.759 25 L CB -0.767 41.277 42.059 -0.024 0.000 0.903 25 L HN 0.494 nan 8.230 nan 0.000 0.435 26 R N -2.937 117.516 120.500 -0.079 0.000 2.334 26 R HA 0.070 4.405 4.340 -0.008 0.000 0.220 26 R C 0.782 176.828 176.300 -0.424 0.000 0.917 26 R CA 0.462 56.424 56.100 -0.230 0.000 1.073 26 R CB -0.187 29.942 30.300 -0.286 0.000 1.056 26 R HN 0.360 nan 8.270 nan 0.000 0.506 27 H N -0.357 118.717 119.070 0.007 0.000 3.794 27 H HA 0.206 4.757 4.556 -0.009 0.000 0.258 27 H C 0.122 175.370 175.328 -0.133 0.000 1.120 27 H CA -0.559 55.458 56.048 -0.052 0.000 1.166 27 H CB 0.637 30.357 29.762 -0.071 0.000 1.517 27 H HN 0.094 nan 8.280 nan 0.000 0.615 28 I N 6.208 126.773 120.570 -0.008 0.000 2.587 28 I HA 0.020 4.185 4.170 -0.008 0.000 0.284 28 I C -1.419 174.664 176.117 -0.056 0.000 1.134 28 I CA -1.290 60.005 61.300 -0.008 0.000 1.410 28 I CB 1.058 39.105 38.000 0.080 0.000 1.392 28 I HN -0.090 nan 8.210 nan 0.000 0.545 29 P HA 0.142 nan 4.420 nan 0.000 0.249 29 P C -0.965 175.944 177.300 -0.652 0.000 1.593 29 P CA 0.355 63.204 63.100 -0.419 0.000 0.896 29 P CB -0.496 30.891 31.700 -0.522 0.000 1.581 30 F N -0.196 119.762 119.950 0.013 0.000 2.613 30 F HA 0.456 4.978 4.527 -0.008 0.000 0.310 30 F C -2.353 173.464 175.800 0.028 0.000 1.085 30 F CA -2.992 55.021 58.000 0.022 0.000 0.945 30 F CB 1.257 40.276 39.000 0.033 0.000 1.298 30 F HN -0.332 nan 8.300 nan 0.000 0.455 31 P HA 0.197 nan 4.420 nan 0.000 0.271 31 P C -1.000 176.401 177.300 0.168 0.000 1.233 31 P CA 0.120 63.305 63.100 0.143 0.000 0.764 31 P CB 0.649 32.411 31.700 0.104 0.000 0.825 32 T N 2.727 117.364 114.554 0.138 0.000 2.848 32 T HA 0.346 4.691 4.350 -0.008 0.000 0.285 32 T C -0.727 174.046 174.700 0.121 0.000 0.995 32 T CA -0.600 61.587 62.100 0.145 0.000 0.970 32 T CB 1.154 70.090 68.868 0.114 0.000 0.976 32 T HN 0.170 nan 8.240 nan 0.000 0.441 33 D N 1.854 122.351 120.400 0.162 0.000 2.181 33 D HA 0.538 5.173 4.640 -0.008 0.000 0.248 33 D C -0.677 175.628 176.300 0.009 0.000 1.020 33 D CA -0.544 53.528 54.000 0.120 0.000 0.891 33 D CB 1.855 42.812 40.800 0.261 0.000 1.187 33 D HN 0.264 nan 8.370 nan 0.000 0.443 34 L N 1.324 122.544 121.223 -0.005 0.000 2.317 34 L HA 0.716 5.051 4.340 -0.008 0.000 0.281 34 L C -1.113 175.738 176.870 -0.033 0.000 1.024 34 L CA -0.555 54.262 54.840 -0.039 0.000 0.810 34 L CB 1.414 43.453 42.059 -0.034 0.000 1.240 34 L HN 0.412 nan 8.230 nan 0.000 0.427 35 A N 4.753 127.545 122.820 -0.047 0.000 2.371 35 A HA 0.819 5.134 4.320 -0.008 0.000 0.311 35 A C -1.463 176.076 177.584 -0.075 0.000 1.068 35 A CA -0.549 51.493 52.037 0.009 0.000 0.744 35 A CB 1.633 20.693 19.000 0.099 0.000 1.239 35 A HN 0.518 nan 8.150 nan 0.000 0.435 36 V N 3.221 123.102 119.914 -0.055 0.000 2.604 36 V HA 0.418 4.533 4.120 -0.008 0.000 0.305 36 V C -0.408 175.547 176.094 -0.231 0.000 1.043 36 V CA -0.326 61.892 62.300 -0.135 0.000 0.888 36 V CB 1.792 33.589 31.823 -0.044 0.000 0.995 36 V HN 0.763 nan 8.190 nan 0.000 0.429 37 I N 4.173 124.536 120.570 -0.344 0.000 2.307 37 I HA 0.523 4.688 4.170 -0.008 0.000 0.289 37 I C 0.803 176.900 176.117 -0.032 0.000 1.021 37 I CA -0.256 60.807 61.300 -0.395 0.000 1.224 37 I CB 1.394 39.078 38.000 -0.527 0.000 1.376 37 I HN 0.736 nan 8.210 nan 0.000 0.470 38 A N 5.566 128.399 122.820 0.023 0.000 2.386 38 A HA 0.138 4.453 4.320 -0.008 0.000 0.246 38 A C 1.074 178.622 177.584 -0.060 0.000 1.089 38 A CA -0.103 51.965 52.037 0.051 0.000 0.790 38 A CB 0.293 19.316 19.000 0.039 0.000 1.042 38 A HN 0.819 nan 8.150 nan 0.000 0.497 39 Q N -0.124 119.517 119.800 -0.265 0.000 2.439 39 Q HA -0.153 4.182 4.340 -0.008 0.000 0.211 39 Q C 0.216 176.158 176.000 -0.098 0.000 0.978 39 Q CA 1.329 56.960 55.803 -0.286 0.000 0.897 39 Q CB -0.105 28.395 28.738 -0.395 0.000 0.956 39 Q HN 0.887 nan 8.270 nan 0.000 0.483 40 D N -1.561 118.810 120.400 -0.048 0.000 2.340 40 D HA 0.091 4.726 4.640 -0.008 0.000 0.217 40 D C 1.163 177.480 176.300 0.029 0.000 1.081 40 D CA 0.621 54.619 54.000 -0.003 0.000 0.842 40 D CB 0.305 41.107 40.800 0.004 0.000 0.934 40 D HN 0.202 nan 8.370 nan 0.000 0.511 41 G N 0.365 109.185 108.800 0.034 0.000 2.225 41 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.254 41 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.254 41 G C 0.345 175.360 174.900 0.193 0.000 0.988 41 G CA -0.102 45.038 45.100 0.065 0.000 0.625 41 G HN 0.437 nan 8.290 nan 0.000 0.527 42 R N -0.540 120.073 120.500 0.188 0.000 2.410 42 R HA 0.463 4.798 4.340 -0.008 0.000 0.288 42 R C -0.211 176.320 176.300 0.384 0.000 1.051 42 R CA -0.557 55.726 56.100 0.304 0.000 1.021 42 R CB 0.604 31.003 30.300 0.166 0.000 1.032 42 R HN 0.196 nan 8.270 nan 0.000 0.481 43 W N 2.524 123.906 121.300 0.138 0.000 2.283 43 W HA 0.362 5.015 4.660 -0.012 0.000 0.341 43 W C -0.116 176.503 176.519 0.166 0.000 1.206 43 W CA -0.355 57.082 57.345 0.153 0.000 1.294 43 W CB 0.331 29.889 29.460 0.164 0.000 1.154 43 W HN 0.239 nan 8.180 nan 0.000 0.613 44 L N 3.323 124.759 121.223 0.356 0.000 2.349 44 L HA 0.484 4.819 4.340 -0.008 0.000 0.278 44 L C -0.329 176.683 176.870 0.236 0.000 0.996 44 L CA -0.656 54.331 54.840 0.245 0.000 0.825 44 L CB 0.780 42.916 42.059 0.129 0.000 1.243 44 L HN 0.195 nan 8.230 nan 0.000 0.412 45 L N 1.658 123.025 121.223 0.240 0.000 2.331 45 L HA 0.764 5.099 4.340 -0.008 0.000 0.268 45 L C 1.217 178.143 176.870 0.094 0.000 1.015 45 L CA -0.389 54.534 54.840 0.139 0.000 0.807 45 L CB 1.448 43.550 42.059 0.072 0.000 1.293 45 L HN 0.783 nan 8.230 nan 0.000 0.451 46 G N 0.379 109.213 108.800 0.057 0.000 2.634 46 G HA2 -0.307 3.648 3.960 -0.008 0.000 0.309 46 G HA3 -0.307 3.648 3.960 -0.008 0.000 0.309 46 G C 0.773 175.700 174.900 0.044 0.000 1.265 46 G CA 0.489 45.617 45.100 0.047 0.000 0.998 46 G HN 0.694 nan 8.290 nan 0.000 0.551 47 E N 0.675 120.898 120.200 0.039 0.000 2.153 47 E HA -0.092 4.253 4.350 -0.008 0.000 0.194 47 E C 2.631 179.251 176.600 0.034 0.000 0.988 47 E CA 1.329 57.748 56.400 0.032 0.000 0.811 47 E CB -0.235 29.481 29.700 0.027 0.000 0.746 47 E HN 0.513 nan 8.360 nan 0.000 0.466 48 K N 0.721 121.148 120.400 0.046 0.000 2.044 48 K HA -0.121 4.194 4.320 -0.008 0.000 0.210 48 K C 2.138 178.765 176.600 0.045 0.000 1.049 48 K CA 1.238 57.554 56.287 0.048 0.000 0.927 48 K CB -0.521 32.018 32.500 0.066 0.000 0.713 48 K HN 0.105 nan 8.250 nan 0.000 0.443 49 A N 1.601 124.451 122.820 0.050 0.000 1.908 49 A HA -0.139 4.176 4.320 -0.008 0.000 0.218 49 A C 2.376 179.969 177.584 0.016 0.000 1.181 49 A CA 1.342 53.399 52.037 0.034 0.000 0.627 49 A CB -0.682 18.337 19.000 0.030 0.000 0.818 49 A HN 0.198 nan 8.150 nan 0.000 0.445 50 L N -0.980 120.253 121.223 0.017 0.000 2.083 50 L HA -0.154 4.181 4.340 -0.008 0.000 0.209 50 L C 2.781 179.657 176.870 0.011 0.000 1.083 50 L CA 1.715 56.561 54.840 0.010 0.000 0.752 50 L CB -0.874 41.193 42.059 0.012 0.000 0.899 50 L HN 0.345 nan 8.230 nan 0.000 0.433 51 T N -0.135 114.430 114.554 0.018 0.000 2.746 51 T HA -0.151 4.194 4.350 -0.008 0.000 0.267 51 T C 2.007 176.719 174.700 0.020 0.000 1.039 51 T CA 1.330 63.441 62.100 0.018 0.000 1.142 51 T CB -0.164 68.717 68.868 0.021 0.000 0.866 51 T HN 0.447 nan 8.240 nan 0.000 0.444 52 A N 1.248 124.082 122.820 0.024 0.000 1.902 52 A HA -0.023 4.292 4.320 -0.008 0.000 0.217 52 A C 2.221 179.814 177.584 0.015 0.000 1.181 52 A CA 1.268 53.323 52.037 0.031 0.000 0.623 52 A CB -0.806 18.219 19.000 0.042 0.000 0.818 52 A HN 0.412 nan 8.150 nan 0.000 0.443 53 L N 0.059 121.281 121.223 -0.001 0.000 2.042 53 L HA -0.163 4.172 4.340 -0.008 0.000 0.210 53 L C 2.263 179.131 176.870 -0.004 0.000 1.076 53 L CA 2.813 57.644 54.840 -0.015 0.000 0.749 53 L CB -0.675 41.372 42.059 -0.019 0.000 0.893 53 L HN 0.509 nan 8.230 nan 0.000 0.432 54 E N -0.269 119.934 120.200 0.004 0.000 2.153 54 E HA -0.158 4.187 4.350 -0.008 0.000 0.194 54 E C 1.998 178.605 176.600 0.012 0.000 0.988 54 E CA 1.392 57.797 56.400 0.008 0.000 0.811 54 E CB -0.280 29.426 29.700 0.009 0.000 0.746 54 E HN 0.552 nan 8.360 nan 0.000 0.466 55 A N 0.003 122.833 122.820 0.017 0.000 2.067 55 A HA 0.021 4.336 4.320 -0.008 0.000 0.217 55 A C 1.113 178.713 177.584 0.027 0.000 1.156 55 A CA 1.110 53.161 52.037 0.024 0.000 0.683 55 A CB -0.097 18.922 19.000 0.031 0.000 0.808 55 A HN 0.183 nan 8.150 nan 0.000 0.455 56 K N -2.734 117.678 120.400 0.020 0.000 3.423 56 K HA -0.167 4.148 4.320 -0.008 0.000 0.306 56 K C -0.192 176.433 176.600 0.042 0.000 1.331 56 K CA 0.907 57.202 56.287 0.014 0.000 0.905 56 K CB -2.002 30.509 32.500 0.018 0.000 1.332 56 K HN 1.522 nan 8.250 nan 0.000 0.473 57 A N -0.907 121.962 122.820 0.081 0.000 2.583 57 A HA 0.695 5.010 4.320 -0.008 0.000 0.298 57 A C -1.400 176.311 177.584 0.212 0.000 1.055 57 A CA 0.026 52.184 52.037 0.203 0.000 0.714 57 A CB 1.507 20.597 19.000 0.150 0.000 1.277 57 A HN 0.557 nan 8.150 nan 0.000 0.406 58 A N 3.364 126.418 122.820 0.391 0.000 2.893 58 A HA 0.723 5.038 4.320 -0.008 0.000 0.333 58 A C -2.287 175.309 177.584 0.020 0.000 1.152 58 A CA -1.363 50.784 52.037 0.183 0.000 0.782 58 A CB 0.390 19.515 19.000 0.209 0.000 1.108 58 A HN 0.370 nan 8.150 nan 0.000 0.469 59 P HA -0.115 nan 4.420 nan 0.000 0.215 59 P C 0.121 177.393 177.300 -0.045 0.000 1.153 59 P CA 1.410 64.469 63.100 -0.067 0.000 0.853 59 P CB 0.313 31.997 31.700 -0.028 0.000 0.788 60 E N -0.919 119.276 120.200 -0.009 0.000 2.222 60 E HA 0.521 4.866 4.350 -0.008 0.000 0.267 60 E C 0.035 176.649 176.600 0.023 0.000 0.884 60 E CA -0.802 55.600 56.400 0.003 0.000 0.764 60 E CB 1.924 31.625 29.700 0.002 0.000 1.169 60 E HN -0.045 nan 8.360 nan 0.000 0.413 61 G N 0.736 109.559 108.800 0.037 0.000 2.671 61 G HA2 0.181 4.136 3.960 -0.008 0.000 0.275 61 G HA3 0.181 4.136 3.960 -0.008 0.000 0.275 61 G C 0.257 175.171 174.900 0.023 0.000 1.368 61 G CA -0.154 44.985 45.100 0.065 0.000 1.044 61 G HN 0.645 nan 8.290 nan 0.000 0.543 62 E N -2.123 118.078 120.200 0.001 0.000 2.406 62 E HA 0.056 4.401 4.350 -0.008 0.000 0.204 62 E C -0.279 176.172 176.600 -0.248 0.000 0.820 62 E CA -0.257 56.036 56.400 -0.179 0.000 1.136 62 E CB 0.353 29.844 29.700 -0.348 0.000 1.129 62 E HN 0.456 nan 8.360 nan 0.000 0.530 63 H N 1.937 121.071 119.070 0.106 0.000 2.488 63 H HA 0.351 4.901 4.556 -0.009 0.000 0.322 63 H C -2.382 172.990 175.328 0.073 0.000 1.078 63 H CA -2.275 53.807 56.048 0.058 0.000 1.260 63 H CB 1.258 31.025 29.762 0.008 0.000 1.425 63 H HN 0.146 nan 8.280 nan 0.000 0.471 64 P HA -0.005 nan 4.420 nan 0.000 0.275 64 P C -0.083 177.238 177.300 0.036 0.000 1.227 64 P CA -0.302 62.862 63.100 0.106 0.000 0.781 64 P CB 0.368 32.103 31.700 0.058 0.000 0.906 65 F N 5.524 125.431 119.950 -0.073 0.000 2.529 65 F HA 0.260 4.783 4.527 -0.006 0.000 0.365 65 F C -1.563 174.110 175.800 -0.213 0.000 1.102 65 F CA -1.504 56.361 58.000 -0.223 0.000 1.271 65 F CB -0.064 38.857 39.000 -0.132 0.000 1.120 65 F HN 0.267 nan 8.300 nan 0.000 0.579 66 P HA 0.259 nan 4.420 nan 0.000 0.285 66 P C -2.845 173.991 177.300 -0.772 0.000 1.259 66 P CA -1.340 60.812 63.100 -1.579 0.000 0.794 66 P CB 0.771 31.724 31.700 -1.246 0.000 0.940 67 P HA 0.120 nan 4.420 nan 0.000 0.270 67 P C -2.243 174.782 177.300 -0.459 0.000 1.223 67 P CA -1.354 61.355 63.100 -0.653 0.000 0.785 67 P CB -0.462 30.692 31.700 -0.910 0.000 0.923 68 P HA 0.278 nan 4.420 nan 0.000 0.231 68 P C -0.470 176.592 177.300 -0.397 0.000 1.811 68 P CA 0.066 62.959 63.100 -0.345 0.000 1.051 68 P CB -0.004 31.512 31.700 -0.307 0.000 1.951 69 L N 1.108 122.040 121.223 -0.485 0.000 2.325 69 L HA 0.349 4.684 4.340 -0.008 0.000 0.278 69 L C 0.409 176.905 176.870 -0.624 0.000 1.023 69 L CA -0.619 53.830 54.840 -0.650 0.000 0.811 69 L CB 1.602 43.015 42.059 -1.077 0.000 1.249 69 L HN -0.027 nan 8.230 nan 0.000 0.431 70 S N 3.733 119.226 115.700 -0.344 0.000 3.517 70 S HA 0.018 4.483 4.470 -0.008 0.000 0.284 70 S C 0.539 175.116 174.600 -0.038 0.000 1.260 70 S CA -0.284 57.827 58.200 -0.149 0.000 0.975 70 S CB -0.283 62.871 63.200 -0.076 0.000 1.540 70 S HN 0.634 nan 8.310 nan 0.000 0.506 71 W N 2.215 123.574 121.300 0.098 0.000 2.338 71 W HA -0.179 4.478 4.660 -0.004 0.000 0.304 71 W C 2.396 178.994 176.519 0.132 0.000 1.212 71 W CA 0.832 58.257 57.345 0.134 0.000 1.264 71 W CB -0.124 29.333 29.460 -0.005 0.000 1.142 71 W HN 0.578 nan 8.180 nan 0.000 0.512 72 E N 1.268 121.611 120.200 0.238 0.000 2.331 72 E HA -0.196 4.149 4.350 -0.008 0.000 0.199 72 E C 1.505 178.107 176.600 0.004 0.000 1.008 72 E CA 1.213 57.678 56.400 0.108 0.000 0.843 72 E CB -0.871 28.861 29.700 0.054 0.000 0.761 72 E HN 0.408 nan 8.360 nan 0.000 0.507 73 R N -0.330 120.109 120.500 -0.101 0.000 2.323 73 R HA 0.079 4.414 4.340 -0.008 0.000 0.198 73 R C -0.068 175.825 176.300 -0.678 0.000 0.988 73 R CA 0.326 56.176 56.100 -0.417 0.000 1.041 73 R CB 0.008 29.940 30.300 -0.614 0.000 0.926 73 R HN 0.189 nan 8.270 nan 0.000 0.476 74 Y N -0.841 119.487 120.300 0.047 0.000 2.446 74 Y HA 0.200 4.746 4.550 -0.007 0.000 0.345 74 Y C 0.684 176.614 175.900 0.049 0.000 0.984 74 Y CA -1.146 56.986 58.100 0.054 0.000 1.058 74 Y CB 1.582 40.099 38.460 0.094 0.000 1.220 74 Y HN -0.158 nan 8.280 nan 0.000 0.455 75 D N 1.042 121.522 120.400 0.133 0.000 2.327 75 D HA 0.116 4.751 4.640 -0.008 0.000 0.205 75 D C -0.390 175.941 176.300 0.052 0.000 0.989 75 D CA 0.945 54.978 54.000 0.055 0.000 0.873 75 D CB 1.049 41.840 40.800 -0.016 0.000 0.955 75 D HN 0.163 nan 8.370 nan 0.000 0.515 76 V N 1.289 121.252 119.914 0.082 0.000 2.851 76 V HA 0.250 4.365 4.120 -0.008 0.000 0.307 76 V C -0.409 175.762 176.094 0.129 0.000 1.129 76 V CA -0.862 61.471 62.300 0.055 0.000 0.932 76 V CB 3.057 34.844 31.823 -0.061 0.000 1.024 76 V HN -0.265 nan 8.190 nan 0.000 0.426 77 V N 4.581 124.590 119.914 0.160 0.000 2.483 77 V HA 0.494 4.609 4.120 -0.008 0.000 0.295 77 V C -0.846 175.393 176.094 0.242 0.000 1.035 77 V CA -0.512 61.908 62.300 0.200 0.000 0.896 77 V CB 1.768 33.722 31.823 0.220 0.000 0.986 77 V HN 0.697 nan 8.190 nan 0.000 0.447 78 F N 8.338 128.314 119.950 0.044 0.000 2.307 78 F HA 0.558 5.079 4.527 -0.010 0.000 0.369 78 F C -2.382 173.421 175.800 0.004 0.000 1.076 78 F CA -3.548 54.458 58.000 0.011 0.000 1.149 78 F CB 1.464 40.431 39.000 -0.055 0.000 1.410 78 F HN 0.309 nan 8.300 nan 0.000 0.481 79 P HA 0.135 nan 4.420 nan 0.000 0.279 79 P C -0.133 177.269 177.300 0.169 0.000 1.318 79 P CA 0.068 63.293 63.100 0.208 0.000 0.819 79 P CB 1.323 33.117 31.700 0.156 0.000 0.927 80 L N 4.886 126.079 121.223 -0.050 0.000 3.084 80 L HA 0.257 4.592 4.340 -0.008 0.000 0.238 80 L C -0.558 176.171 176.870 -0.235 0.000 1.327 80 L CA -0.431 54.308 54.840 -0.169 0.000 1.094 80 L CB 0.061 41.892 42.059 -0.380 0.000 1.477 80 L HN 0.184 nan 8.230 nan 0.000 0.514 81 L N -0.043 121.058 121.223 -0.204 0.000 2.331 81 L HA 0.464 4.799 4.340 -0.008 0.000 0.275 81 L C -0.266 176.438 176.870 -0.276 0.000 1.022 81 L CA -0.459 54.272 54.840 -0.182 0.000 0.812 81 L CB 1.320 43.346 42.059 -0.054 0.000 1.257 81 L HN 0.238 nan 8.230 nan 0.000 0.435 82 H N -0.184 118.908 119.070 0.036 0.000 2.651 82 H HA 0.689 5.239 4.556 -0.009 0.000 0.353 82 H C 0.792 176.127 175.328 0.011 0.000 1.178 82 H CA 0.402 56.466 56.048 0.027 0.000 1.224 82 H CB 1.411 31.183 29.762 0.017 0.000 1.702 82 H HN 0.824 nan 8.280 nan 0.000 0.550 83 G N 0.597 109.469 108.800 0.120 0.000 2.582 83 G HA2 -0.362 3.593 3.960 -0.008 0.000 0.288 83 G HA3 -0.362 3.593 3.960 -0.008 0.000 0.288 83 G C 0.156 175.037 174.900 -0.031 0.000 1.247 83 G CA 0.191 45.306 45.100 0.026 0.000 0.972 83 G HN 0.829 nan 8.290 nan 0.000 0.557 84 R N -0.299 120.141 120.500 -0.101 0.000 2.585 84 R HA 0.253 4.588 4.340 -0.008 0.000 0.275 84 R C 0.432 176.628 176.300 -0.174 0.000 1.018 84 R CA 0.664 56.593 56.100 -0.285 0.000 1.072 84 R CB -0.504 29.558 30.300 -0.396 0.000 0.953 84 R HN 1.046 nan 8.270 nan 0.000 0.419 85 F N 1.666 121.605 119.950 -0.020 0.000 3.100 85 F HA -0.254 4.269 4.527 -0.008 0.000 0.283 85 F C 0.940 176.723 175.800 -0.029 0.000 0.900 85 F CA 1.249 59.226 58.000 -0.039 0.000 1.010 85 F CB -1.805 37.159 39.000 -0.060 0.000 1.029 85 F HN 0.822 nan 8.300 nan 0.000 0.637 86 G N -0.551 108.311 108.800 0.102 0.000 2.652 86 G HA2 0.191 4.146 3.960 -0.008 0.000 0.187 86 G HA3 0.191 4.146 3.960 -0.008 0.000 0.187 86 G C 0.810 175.729 174.900 0.032 0.000 1.219 86 G CA 0.190 45.323 45.100 0.054 0.000 0.667 86 G HN 0.356 nan 8.290 nan 0.000 0.781 87 E N 1.135 121.348 120.200 0.022 0.000 2.501 87 E HA 0.105 4.450 4.350 -0.008 0.000 0.201 87 E C 0.393 176.998 176.600 0.008 0.000 1.016 87 E CA 0.280 56.692 56.400 0.019 0.000 0.920 87 E CB 0.601 30.314 29.700 0.022 0.000 1.023 87 E HN 0.515 nan 8.360 nan 0.000 0.474 88 D N -0.561 119.841 120.400 0.003 0.000 2.340 88 D HA 0.068 4.703 4.640 -0.008 0.000 0.217 88 D C 1.346 177.652 176.300 0.011 0.000 1.081 88 D CA 0.492 54.484 54.000 -0.012 0.000 0.842 88 D CB 0.365 41.131 40.800 -0.058 0.000 0.934 88 D HN 0.154 nan 8.370 nan 0.000 0.511 89 G N -0.535 108.283 108.800 0.031 0.000 2.217 89 G HA2 -0.378 3.577 3.960 -0.008 0.000 0.246 89 G HA3 -0.378 3.577 3.960 -0.008 0.000 0.246 89 G C 1.134 176.062 174.900 0.047 0.000 0.990 89 G CA 0.670 45.792 45.100 0.037 0.000 0.627 89 G HN 0.454 nan 8.290 nan 0.000 0.522 90 T N -0.173 114.426 114.554 0.074 0.000 2.668 90 T HA -0.018 4.327 4.350 -0.008 0.000 0.262 90 T C 2.450 177.202 174.700 0.087 0.000 1.045 90 T CA 3.045 65.207 62.100 0.103 0.000 1.152 90 T CB -0.307 68.698 68.868 0.228 0.000 0.864 90 T HN 0.954 nan 8.240 nan 0.000 0.419 91 V N 0.810 120.782 119.914 0.096 0.000 2.515 91 V HA -0.119 3.996 4.120 -0.008 0.000 0.250 91 V C 2.376 178.472 176.094 0.003 0.000 1.058 91 V CA 2.150 64.527 62.300 0.128 0.000 1.064 91 V CB -0.626 31.276 31.823 0.132 0.000 0.675 91 V HN 0.491 nan 8.190 nan 0.000 0.461 92 Q N 0.820 120.558 119.800 -0.103 0.000 2.079 92 Q HA 0.001 4.336 4.340 -0.008 0.000 0.200 92 Q C 2.274 178.125 176.000 -0.248 0.000 0.974 92 Q CA 1.967 57.553 55.803 -0.361 0.000 0.840 92 Q CB -1.099 27.577 28.738 -0.103 0.000 0.898 92 Q HN 0.682 nan 8.270 nan 0.000 0.430 93 G N -0.431 108.345 108.800 -0.041 0.000 2.422 93 G HA2 -0.262 3.693 3.960 -0.008 0.000 0.218 93 G HA3 -0.262 3.693 3.960 -0.008 0.000 0.218 93 G C 1.283 176.215 174.900 0.053 0.000 1.146 93 G CA 0.466 45.577 45.100 0.017 0.000 0.769 93 G HN 0.408 nan 8.290 nan 0.000 0.547 94 F N 0.880 120.772 119.950 -0.095 0.000 2.075 94 F HA -0.013 4.506 4.527 -0.013 0.000 0.297 94 F C 2.453 178.133 175.800 -0.200 0.000 1.113 94 F CA 0.872 58.826 58.000 -0.077 0.000 1.218 94 F CB 0.006 39.030 39.000 0.040 0.000 0.984 94 F HN 0.032 nan 8.300 nan 0.000 0.472 95 L N 0.242 121.203 121.223 -0.435 0.000 2.131 95 L HA -0.198 4.137 4.340 -0.008 0.000 0.210 95 L C 2.413 179.074 176.870 -0.348 0.000 1.092 95 L CA 0.968 55.450 54.840 -0.597 0.000 0.759 95 L CB -0.710 40.962 42.059 -0.646 0.000 0.903 95 L HN 0.198 nan 8.230 nan 0.000 0.435 96 E N 0.302 120.381 120.200 -0.200 0.000 2.106 96 E HA -0.154 4.191 4.350 -0.008 0.000 0.192 96 E C 2.352 178.903 176.600 -0.082 0.000 0.984 96 E CA 1.082 57.461 56.400 -0.035 0.000 0.806 96 E CB -0.122 29.597 29.700 0.031 0.000 0.750 96 E HN 0.526 nan 8.360 nan 0.000 0.458 97 L N 0.361 121.516 121.223 -0.113 0.000 2.156 97 L HA -0.092 4.243 4.340 -0.008 0.000 0.208 97 L C 2.441 179.198 176.870 -0.189 0.000 1.095 97 L CA 0.560 55.342 54.840 -0.096 0.000 0.770 97 L CB -0.273 41.776 42.059 -0.016 0.000 0.914 97 L HN 0.074 nan 8.230 nan 0.000 0.439 98 L N -0.238 120.762 121.223 -0.372 0.000 2.478 98 L HA 0.031 4.366 4.340 -0.008 0.000 0.223 98 L C 1.474 178.182 176.870 -0.270 0.000 1.140 98 L CA 0.653 55.215 54.840 -0.462 0.000 0.842 98 L CB -0.561 40.950 42.059 -0.914 0.000 0.953 98 L HN 0.520 nan 8.230 nan 0.000 0.452 99 G N 0.259 108.951 108.800 -0.180 0.000 2.160 99 G HA2 -0.248 3.707 3.960 -0.008 0.000 0.251 99 G HA3 -0.248 3.707 3.960 -0.008 0.000 0.251 99 G C 0.184 175.048 174.900 -0.060 0.000 1.008 99 G CA -0.057 44.991 45.100 -0.088 0.000 0.724 99 G HN 0.169 nan 8.290 nan 0.000 0.514 100 K N 0.682 121.031 120.400 -0.084 0.000 2.211 100 K HA 0.415 4.730 4.320 -0.008 0.000 0.275 100 K C -2.398 174.268 176.600 0.110 0.000 1.024 100 K CA -1.846 54.435 56.287 -0.009 0.000 0.887 100 K CB 1.612 34.073 32.500 -0.065 0.000 1.084 100 K HN 0.054 nan 8.250 nan 0.000 0.463 101 P HA 0.060 nan 4.420 nan 0.000 0.271 101 P C -1.174 176.200 177.300 0.124 0.000 1.216 101 P CA 0.129 63.251 63.100 0.037 0.000 0.776 101 P CB 0.237 31.921 31.700 -0.026 0.000 0.881 102 Y N -0.599 119.669 120.300 -0.054 0.000 2.588 102 Y HA 0.638 5.177 4.550 -0.018 0.000 0.343 102 Y C -1.030 174.814 175.900 -0.094 0.000 1.065 102 Y CA -1.765 56.305 58.100 -0.050 0.000 1.038 102 Y CB 0.316 38.765 38.460 -0.019 0.000 1.297 102 Y HN -0.005 nan 8.280 nan 0.000 0.467 103 V N 2.907 122.795 119.914 -0.044 0.000 2.686 103 V HA 0.641 4.756 4.120 -0.008 0.000 0.295 103 V C 0.797 176.826 176.094 -0.109 0.000 1.055 103 V CA 0.825 62.972 62.300 -0.254 0.000 1.050 103 V CB 0.284 31.678 31.823 -0.716 0.000 0.984 103 V HN 1.482 nan 8.190 nan 0.000 0.482 104 G N 3.314 112.026 108.800 -0.145 0.000 2.685 104 G HA2 0.257 4.212 3.960 -0.008 0.000 0.387 104 G HA3 0.257 4.212 3.960 -0.008 0.000 0.387 104 G C -0.055 174.818 174.900 -0.045 0.000 1.324 104 G CA -0.340 44.736 45.100 -0.041 0.000 0.878 104 G HN 1.609 nan 8.290 nan 0.000 0.527 105 A N -0.055 122.757 122.820 -0.014 0.000 2.520 105 A HA 0.667 4.982 4.320 -0.008 0.000 0.235 105 A C 1.506 179.132 177.584 0.070 0.000 1.065 105 A CA 1.583 53.598 52.037 -0.037 0.000 0.764 105 A CB 0.022 18.984 19.000 -0.062 0.000 1.002 105 A HN 2.460 nan 8.150 nan 0.000 0.502 106 G N -0.417 108.404 108.800 0.035 0.000 2.489 106 G HA2 0.361 4.316 3.960 -0.008 0.000 0.271 106 G HA3 0.361 4.316 3.960 -0.008 0.000 0.271 106 G C 1.066 176.039 174.900 0.123 0.000 1.427 106 G CA 0.187 45.378 45.100 0.152 0.000 1.057 106 G HN 0.717 nan 8.290 nan 0.000 0.532 107 V N 0.862 120.846 119.914 0.116 0.000 2.261 107 V HA -0.170 3.945 4.120 -0.008 0.000 0.246 107 V C 3.322 179.434 176.094 0.029 0.000 1.047 107 V CA 2.605 64.944 62.300 0.064 0.000 1.015 107 V CB -1.222 30.635 31.823 0.057 0.000 0.642 107 V HN 0.776 nan 8.190 nan 0.000 0.446 108 A N 0.035 122.864 122.820 0.016 0.000 1.877 108 A HA -0.106 4.209 4.320 -0.008 0.000 0.216 108 A C 2.435 180.005 177.584 -0.023 0.000 1.186 108 A CA 2.237 54.271 52.037 -0.005 0.000 0.620 108 A CB -0.949 18.044 19.000 -0.011 0.000 0.822 108 A HN 0.582 nan 8.150 nan 0.000 0.443 109 A N -0.538 122.259 122.820 -0.039 0.000 1.902 109 A HA -0.082 4.233 4.320 -0.008 0.000 0.217 109 A C 2.464 180.016 177.584 -0.054 0.000 1.181 109 A CA 2.194 54.189 52.037 -0.070 0.000 0.623 109 A CB -0.903 18.028 19.000 -0.115 0.000 0.818 109 A HN 0.468 nan 8.150 nan 0.000 0.443 110 S N -0.063 115.623 115.700 -0.023 0.000 2.348 110 S HA -0.034 4.431 4.470 -0.008 0.000 0.221 110 S C 2.370 176.960 174.600 -0.017 0.000 1.033 110 S CA 1.244 59.438 58.200 -0.011 0.000 1.010 110 S CB -0.594 62.618 63.200 0.021 0.000 0.891 110 S HN 0.815 nan 8.310 nan 0.000 0.442 111 A N 1.429 124.243 122.820 -0.010 0.000 1.908 111 A HA -0.055 4.260 4.320 -0.008 0.000 0.218 111 A C 2.165 179.734 177.584 -0.025 0.000 1.181 111 A CA 1.406 53.434 52.037 -0.014 0.000 0.627 111 A CB -0.820 18.178 19.000 -0.004 0.000 0.818 111 A HN 0.461 nan 8.150 nan 0.000 0.445 112 L N -0.643 120.562 121.223 -0.030 0.000 2.017 112 L HA -0.208 4.127 4.340 -0.008 0.000 0.208 112 L C 2.332 179.168 176.870 -0.057 0.000 1.073 112 L CA 1.846 56.662 54.840 -0.040 0.000 0.745 112 L CB -0.322 41.712 42.059 -0.043 0.000 0.894 112 L HN 0.476 nan 8.230 nan 0.000 0.432 113 C N -0.497 118.765 119.300 -0.064 0.000 2.449 113 C HA -0.083 4.372 4.460 -0.008 0.000 0.283 113 C C 2.398 177.345 174.990 -0.071 0.000 1.453 113 C CA 0.452 59.424 59.018 -0.076 0.000 1.779 113 C CB -0.693 27.002 27.740 -0.076 0.000 1.779 113 C HN 0.622 nan 8.230 nan 0.000 0.546 114 M N 0.288 119.854 119.600 -0.055 0.000 2.509 114 M HA 0.187 4.662 4.480 -0.008 0.000 0.250 114 M C 0.250 176.518 176.300 -0.053 0.000 1.132 114 M CA 0.890 56.159 55.300 -0.052 0.000 1.080 114 M CB -0.101 32.474 32.600 -0.043 0.000 1.408 114 M HN 0.068 nan 8.290 nan 0.000 0.484 115 D N 0.593 120.962 120.400 -0.053 0.000 2.412 115 D HA 0.133 4.768 4.640 -0.008 0.000 0.224 115 D C 0.317 176.575 176.300 -0.071 0.000 1.093 115 D CA 0.092 54.066 54.000 -0.043 0.000 0.850 115 D CB 0.865 41.651 40.800 -0.022 0.000 1.046 115 D HN 0.222 nan 8.370 nan 0.000 0.507 116 K N 2.288 122.643 120.400 -0.075 0.000 2.281 116 K HA -0.172 4.143 4.320 -0.008 0.000 0.203 116 K C 1.011 177.498 176.600 -0.190 0.000 1.046 116 K CA 1.149 57.357 56.287 -0.132 0.000 0.938 116 K CB 0.330 32.773 32.500 -0.094 0.000 0.737 116 K HN 0.385 nan 8.250 nan 0.000 0.458 117 D N 0.580 120.942 120.400 -0.064 0.000 2.214 117 D HA -0.022 4.613 4.640 -0.008 0.000 0.217 117 D C 1.764 178.077 176.300 0.022 0.000 0.973 117 D CA 0.581 54.599 54.000 0.031 0.000 0.880 117 D CB 0.089 41.002 40.800 0.189 0.000 1.031 117 D HN -0.031 nan 8.370 nan 0.000 0.468 118 L N 0.697 121.936 121.223 0.026 0.000 2.131 118 L HA -0.130 4.205 4.340 -0.008 0.000 0.210 118 L C 2.594 179.447 176.870 -0.029 0.000 1.092 118 L CA 1.366 56.222 54.840 0.026 0.000 0.759 118 L CB -0.754 41.317 42.059 0.019 0.000 0.903 118 L HN 0.196 nan 8.230 nan 0.000 0.435 119 S N -0.186 115.460 115.700 -0.090 0.000 2.368 119 S HA -0.187 4.278 4.470 -0.008 0.000 0.224 119 S C 1.931 176.426 174.600 -0.176 0.000 1.029 119 S CA 0.830 58.957 58.200 -0.122 0.000 0.988 119 S CB -0.245 62.868 63.200 -0.144 0.000 0.838 119 S HN 0.386 nan 8.310 nan 0.000 0.462 120 K N 0.938 121.142 120.400 -0.326 0.000 2.148 120 K HA 0.077 4.392 4.320 -0.008 0.000 0.204 120 K C 2.627 179.102 176.600 -0.209 0.000 1.050 120 K CA 0.908 56.869 56.287 -0.543 0.000 0.942 120 K CB -0.152 31.455 32.500 -1.488 0.000 0.724 120 K HN 0.365 nan 8.250 nan 0.000 0.446 121 R N 0.525 121.050 120.500 0.041 0.000 2.070 121 R HA -0.106 4.229 4.340 -0.008 0.000 0.233 121 R C 2.341 178.717 176.300 0.126 0.000 1.137 121 R CA 1.339 57.588 56.100 0.249 0.000 0.945 121 R CB -0.554 29.887 30.300 0.234 0.000 0.845 121 R HN -0.014 nan 8.270 nan 0.000 0.430 122 V N 1.696 121.640 119.914 0.050 0.000 2.287 122 V HA -0.251 3.864 4.120 -0.008 0.000 0.248 122 V C 2.365 178.474 176.094 0.024 0.000 1.053 122 V CA 1.750 64.067 62.300 0.029 0.000 1.027 122 V CB -0.467 31.354 31.823 -0.003 0.000 0.646 122 V HN 0.292 nan 8.190 nan 0.000 0.447 123 L N -0.058 121.162 121.223 -0.006 0.000 2.046 123 L HA -0.157 4.178 4.340 -0.008 0.000 0.208 123 L C 2.740 179.637 176.870 0.045 0.000 1.077 123 L CA 1.560 56.398 54.840 -0.003 0.000 0.747 123 L CB -0.821 41.206 42.059 -0.054 0.000 0.896 123 L HN 0.370 nan 8.230 nan 0.000 0.432 124 A N 0.597 123.469 122.820 0.087 0.000 1.902 124 A HA -0.268 4.047 4.320 -0.008 0.000 0.217 124 A C 2.184 179.842 177.584 0.124 0.000 1.181 124 A CA 1.891 54.022 52.037 0.158 0.000 0.623 124 A CB -0.541 18.648 19.000 0.315 0.000 0.818 124 A HN 0.567 nan 8.150 nan 0.000 0.443 125 Q N -0.267 119.598 119.800 0.109 0.000 2.369 125 Q HA 0.275 4.610 4.340 -0.008 0.000 0.206 125 Q C 1.436 177.473 176.000 0.062 0.000 0.963 125 Q CA 1.698 57.550 55.803 0.083 0.000 0.894 125 Q CB -0.600 28.183 28.738 0.075 0.000 0.965 125 Q HN 0.441 nan 8.270 nan 0.000 0.475 126 A N 0.104 122.957 122.820 0.056 0.000 2.218 126 A HA 0.518 4.833 4.320 -0.008 0.000 0.209 126 A C 1.621 179.236 177.584 0.051 0.000 1.168 126 A CA 0.422 52.486 52.037 0.046 0.000 0.804 126 A CB -0.483 18.538 19.000 0.035 0.000 0.834 126 A HN 0.882 nan 8.150 nan 0.000 0.482 127 G N -1.510 107.327 108.800 0.060 0.000 2.141 127 G HA2 -0.177 3.778 3.960 -0.008 0.000 0.231 127 G HA3 -0.177 3.778 3.960 -0.008 0.000 0.231 127 G C 0.090 175.028 174.900 0.063 0.000 0.984 127 G CA 0.065 45.201 45.100 0.061 0.000 0.660 127 G HN 0.739 nan 8.290 nan 0.000 0.525 128 V N 3.051 123.004 119.914 0.064 0.000 2.461 128 V HA 0.439 4.554 4.120 -0.008 0.000 0.275 128 V C -1.106 175.036 176.094 0.080 0.000 1.047 128 V CA -1.272 61.068 62.300 0.068 0.000 0.955 128 V CB 1.387 33.241 31.823 0.052 0.000 0.988 128 V HN 0.270 nan 8.190 nan 0.000 0.471 129 P HA 0.269 nan 4.420 nan 0.000 0.271 129 P C -0.785 176.615 177.300 0.168 0.000 1.220 129 P CA 0.166 63.329 63.100 0.105 0.000 0.768 129 P CB 1.346 33.045 31.700 -0.002 0.000 0.848 130 V N 1.323 121.389 119.914 0.253 0.000 3.130 130 V HA 0.466 4.581 4.120 -0.008 0.000 0.310 130 V C -0.065 176.244 176.094 0.358 0.000 1.158 130 V CA -1.306 61.135 62.300 0.234 0.000 1.029 130 V CB 1.718 33.544 31.823 0.005 0.000 1.057 130 V HN 0.343 nan 8.190 nan 0.000 0.436 131 V N 2.924 122.957 119.914 0.198 0.000 2.740 131 V HA 0.360 4.475 4.120 -0.008 0.000 0.303 131 V C -1.970 174.209 176.094 0.140 0.000 1.054 131 V CA -1.076 61.221 62.300 -0.005 0.000 1.106 131 V CB 0.958 32.735 31.823 -0.076 0.000 0.957 131 V HN 1.043 nan 8.190 nan 0.000 0.486 132 P HA 0.159 nan 4.420 nan 0.000 0.264 132 P C -1.213 176.126 177.300 0.065 0.000 1.183 132 P CA 0.638 63.718 63.100 -0.034 0.000 0.763 132 P CB 0.133 31.589 31.700 -0.407 0.000 0.807 133 W N 2.465 123.774 121.300 0.015 0.000 2.937 133 W HA 0.683 5.338 4.660 -0.007 0.000 0.360 133 W C -2.601 174.064 176.519 0.244 0.000 1.215 133 W CA -0.884 56.576 57.345 0.191 0.000 1.183 133 W CB 0.728 30.247 29.460 0.098 0.000 1.458 133 W HN 0.340 nan 8.180 nan 0.000 0.574 134 V N 1.631 121.500 119.914 -0.075 0.000 3.120 134 V HA 0.838 4.953 4.120 -0.008 0.000 0.303 134 V C -1.154 174.979 176.094 0.065 0.000 1.238 134 V CA -0.415 61.727 62.300 -0.265 0.000 1.008 134 V CB 1.744 33.470 31.823 -0.162 0.000 1.064 134 V HN 1.471 nan 8.190 nan 0.000 0.434 135 A N 4.314 127.172 122.820 0.064 0.000 2.312 135 A HA 0.873 5.188 4.320 -0.008 0.000 0.326 135 A C -1.066 176.576 177.584 0.097 0.000 1.172 135 A CA -0.487 51.645 52.037 0.159 0.000 0.821 135 A CB 1.539 20.656 19.000 0.196 0.000 1.166 135 A HN 1.214 nan 8.150 nan 0.000 0.493 136 V N 3.341 123.340 119.914 0.140 0.000 2.482 136 V HA 0.394 4.509 4.120 -0.008 0.000 0.295 136 V C -0.041 176.238 176.094 0.309 0.000 1.026 136 V CA -0.575 61.833 62.300 0.180 0.000 0.856 136 V CB 1.424 33.352 31.823 0.175 0.000 1.001 136 V HN 0.977 nan 8.190 nan 0.000 0.424 137 R N 2.470 123.077 120.500 0.178 0.000 2.428 137 R HA 0.418 4.753 4.340 -0.008 0.000 0.294 137 R C 0.059 176.240 176.300 -0.197 0.000 1.000 137 R CA -0.868 55.270 56.100 0.064 0.000 0.960 137 R CB 1.533 31.835 30.300 0.003 0.000 1.076 137 R HN 0.628 nan 8.270 nan 0.000 0.475 138 K N 1.297 121.231 120.400 -0.777 0.000 2.466 138 K HA -0.093 4.222 4.320 -0.008 0.000 0.278 138 K C 0.625 176.932 176.600 -0.488 0.000 1.048 138 K CA 1.378 56.891 56.287 -1.289 0.000 1.088 138 K CB 0.013 31.778 32.500 -1.225 0.000 0.884 138 K HN 0.830 nan 8.250 nan 0.000 0.478 139 G N 3.372 111.986 108.800 -0.311 0.000 2.424 139 G HA2 -0.224 3.731 3.960 -0.008 0.000 0.207 139 G HA3 -0.224 3.731 3.960 -0.008 0.000 0.207 139 G C -0.393 174.467 174.900 -0.066 0.000 1.061 139 G CA -0.253 44.761 45.100 -0.143 0.000 0.657 139 G HN 0.654 nan 8.290 nan 0.000 0.508 140 E N 3.093 123.263 120.200 -0.050 0.000 2.392 140 E HA 0.379 4.724 4.350 -0.008 0.000 0.264 140 E C -2.113 174.500 176.600 0.022 0.000 1.024 140 E CA -1.024 55.371 56.400 -0.008 0.000 0.903 140 E CB 0.965 30.669 29.700 0.008 0.000 0.963 140 E HN 0.304 nan 8.360 nan 0.000 0.432 141 P HA 0.174 nan 4.420 nan 0.000 0.281 141 P C -2.566 174.735 177.300 0.003 0.000 1.252 141 P CA -1.470 61.634 63.100 0.006 0.000 0.778 141 P CB 0.177 31.869 31.700 -0.014 0.000 0.895 142 P HA 0.019 nan 4.420 nan 0.000 0.262 142 P C -0.491 176.774 177.300 -0.057 0.000 1.182 142 P CA 0.435 63.528 63.100 -0.013 0.000 0.761 142 P CB 0.266 31.967 31.700 0.003 0.000 0.795 143 V N 4.611 124.477 119.914 -0.080 0.000 2.467 143 V HA 0.089 4.204 4.120 -0.008 0.000 0.260 143 V C -0.134 175.868 176.094 -0.154 0.000 0.963 143 V CA -0.533 61.706 62.300 -0.100 0.000 0.856 143 V CB 1.416 33.193 31.823 -0.077 0.000 1.087 143 V HN 0.206 nan 8.190 nan 0.000 0.467 144 V N 6.038 125.840 119.914 -0.187 0.000 2.353 144 V HA 0.241 4.356 4.120 -0.008 0.000 0.264 144 V C -0.564 175.357 176.094 -0.289 0.000 1.049 144 V CA -0.990 61.064 62.300 -0.411 0.000 0.896 144 V CB 1.422 32.939 31.823 -0.511 0.000 1.025 144 V HN 0.613 nan 8.190 nan 0.000 0.475 145 P HA 0.018 nan 4.420 nan 0.000 0.244 145 P C -0.256 177.143 177.300 0.164 0.000 1.211 145 P CA 0.562 63.664 63.100 0.004 0.000 0.760 145 P CB -0.194 31.548 31.700 0.070 0.000 0.961 146 F N -2.234 117.794 119.950 0.130 0.000 2.629 146 F HA 0.648 5.168 4.527 -0.011 0.000 0.316 146 F C -0.402 175.504 175.800 0.176 0.000 1.081 146 F CA -1.805 56.272 58.000 0.128 0.000 0.954 146 F CB 0.397 39.447 39.000 0.082 0.000 1.337 146 F HN -0.404 nan 8.300 nan 0.000 0.474 147 D N 1.213 121.785 120.400 0.287 0.000 2.348 147 D HA 0.417 5.052 4.640 -0.008 0.000 0.249 147 D C -2.454 173.789 176.300 -0.094 0.000 1.110 147 D CA -1.380 52.625 54.000 0.008 0.000 0.967 147 D CB 1.058 41.867 40.800 0.013 0.000 1.139 147 D HN 0.250 nan 8.370 nan 0.000 0.466 148 P HA 0.210 nan 4.420 nan 0.000 0.273 148 P C -2.493 174.567 177.300 -0.401 0.000 1.250 148 P CA -0.811 61.784 63.100 -0.842 0.000 0.793 148 P CB -0.139 30.925 31.700 -1.060 0.000 1.011 149 P HA 0.314 nan 4.420 nan 0.000 0.278 149 P C -1.082 175.971 177.300 -0.412 0.000 1.238 149 P CA 0.051 62.837 63.100 -0.523 0.000 0.794 149 P CB 0.232 31.689 31.700 -0.405 0.000 0.955 150 F N -1.204 118.549 119.950 -0.329 0.000 2.654 150 F HA 0.628 5.152 4.527 -0.005 0.000 0.308 150 F C -1.370 174.242 175.800 -0.313 0.000 1.108 150 F CA -1.432 56.416 58.000 -0.254 0.000 0.957 150 F CB 0.916 39.977 39.000 0.102 0.000 1.309 150 F HN 0.026 nan 8.300 nan 0.000 0.446 151 F N 1.576 121.715 119.950 0.315 0.000 2.379 151 F HA 0.682 5.204 4.527 -0.008 0.000 0.332 151 F C -0.058 175.830 175.800 0.147 0.000 1.096 151 F CA -1.071 57.037 58.000 0.180 0.000 1.105 151 F CB 1.798 40.852 39.000 0.089 0.000 1.189 151 F HN 0.277 nan 8.300 nan 0.000 0.515 152 V N 2.912 123.000 119.914 0.290 0.000 2.531 152 V HA 0.552 4.667 4.120 -0.008 0.000 0.301 152 V C -0.713 175.429 176.094 0.080 0.000 1.034 152 V CA -1.005 61.366 62.300 0.118 0.000 0.865 152 V CB 1.718 33.574 31.823 0.056 0.000 0.995 152 V HN 0.800 nan 8.190 nan 0.000 0.424 153 K N 4.563 124.985 120.400 0.036 0.000 2.556 153 K HA 0.616 4.931 4.320 -0.008 0.000 0.274 153 K C -3.292 173.311 176.600 0.005 0.000 0.966 153 K CA -1.983 54.311 56.287 0.012 0.000 0.865 153 K CB 2.486 34.990 32.500 0.007 0.000 1.444 153 K HN 0.288 nan 8.250 nan 0.000 0.433 154 P HA -0.065 nan 4.420 nan 0.000 0.268 154 P C 0.226 177.549 177.300 0.039 0.000 1.204 154 P CA 0.160 63.296 63.100 0.060 0.000 0.768 154 P CB 1.197 32.956 31.700 0.098 0.000 0.842 155 A N 4.751 127.609 122.820 0.063 0.000 1.877 155 A HA -0.209 4.106 4.320 -0.008 0.000 0.216 155 A C 1.233 178.822 177.584 0.009 0.000 1.186 155 A CA 2.071 54.134 52.037 0.044 0.000 0.620 155 A CB -1.155 17.890 19.000 0.074 0.000 0.822 155 A HN 0.728 nan 8.150 nan 0.000 0.443 156 N N -0.758 117.948 118.700 0.010 0.000 2.338 156 N HA 0.157 4.892 4.740 -0.008 0.000 0.251 156 N C -0.020 175.468 175.510 -0.038 0.000 1.199 156 N CA 0.386 53.425 53.050 -0.018 0.000 0.879 156 N CB -0.166 38.312 38.487 -0.016 0.000 1.159 156 N HN 0.317 nan 8.380 nan 0.000 0.514 157 T N -4.802 109.731 114.554 -0.035 0.000 2.874 157 T HA 0.513 4.858 4.350 -0.008 0.000 0.281 157 T C 1.340 175.997 174.700 -0.071 0.000 0.994 157 T CA -0.407 61.658 62.100 -0.057 0.000 1.015 157 T CB 1.612 70.443 68.868 -0.061 0.000 1.028 157 T HN 0.129 nan 8.240 nan 0.000 0.523 158 G N 0.460 109.215 108.800 -0.076 0.000 2.408 158 G HA2 0.223 4.178 3.960 -0.008 0.000 0.215 158 G HA3 0.223 4.178 3.960 -0.008 0.000 0.215 158 G C 0.680 175.540 174.900 -0.066 0.000 1.156 158 G CA 0.076 45.142 45.100 -0.058 0.000 0.793 158 G HN 0.682 nan 8.290 nan 0.000 0.535 159 S N -0.949 114.696 115.700 -0.092 0.000 2.786 159 S HA 0.396 4.861 4.470 -0.008 0.000 0.302 159 S C 1.517 176.038 174.600 -0.132 0.000 1.080 159 S CA 0.161 58.299 58.200 -0.104 0.000 0.925 159 S CB 1.407 64.547 63.200 -0.099 0.000 1.325 159 S HN 0.314 nan 8.310 nan 0.000 0.576 160 S N 0.023 115.644 115.700 -0.132 0.000 2.603 160 S HA 0.116 4.581 4.470 -0.008 0.000 0.220 160 S C 0.370 174.864 174.600 -0.177 0.000 0.967 160 S CA -0.305 57.812 58.200 -0.138 0.000 0.920 160 S CB -0.633 62.499 63.200 -0.114 0.000 0.773 160 S HN 0.357 nan 8.310 nan 0.000 0.529 161 V N 2.445 122.204 119.914 -0.258 0.000 2.493 161 V HA 0.485 4.600 4.120 -0.008 0.000 0.292 161 V C 1.593 177.348 176.094 -0.565 0.000 1.016 161 V CA 0.807 62.854 62.300 -0.423 0.000 1.097 161 V CB -0.420 31.051 31.823 -0.587 0.000 0.947 161 V HN 0.688 nan 8.190 nan 0.000 0.479 162 G N 4.544 113.144 108.800 -0.333 0.000 2.232 162 G HA2 -0.204 3.751 3.960 -0.008 0.000 0.226 162 G HA3 -0.204 3.751 3.960 -0.008 0.000 0.226 162 G C -0.080 174.819 174.900 -0.002 0.000 0.996 162 G CA -0.189 44.866 45.100 -0.076 0.000 0.626 162 G HN 0.569 nan 8.290 nan 0.000 0.509 163 I N 2.393 122.938 120.570 -0.042 0.000 2.648 163 I HA 0.509 4.674 4.170 -0.008 0.000 0.284 163 I C 0.562 176.719 176.117 0.067 0.000 1.153 163 I CA 0.370 61.678 61.300 0.012 0.000 1.426 163 I CB 1.559 39.540 38.000 -0.032 0.000 1.381 163 I HN 0.110 nan 8.210 nan 0.000 0.571 164 S N 4.660 120.440 115.700 0.133 0.000 2.548 164 S HA 0.536 5.001 4.470 -0.008 0.000 0.276 164 S C -0.623 174.105 174.600 0.213 0.000 1.129 164 S CA -0.858 57.426 58.200 0.140 0.000 0.931 164 S CB 1.743 64.999 63.200 0.093 0.000 1.068 164 S HN 0.470 nan 8.310 nan 0.000 0.480 165 R N 2.477 123.073 120.500 0.159 0.000 2.196 165 R HA 0.467 4.802 4.340 -0.008 0.000 0.340 165 R C -1.350 174.904 176.300 -0.077 0.000 1.043 165 R CA -0.263 55.849 56.100 0.019 0.000 0.883 165 R CB -0.219 30.082 30.300 0.003 0.000 1.078 165 R HN 0.398 nan 8.270 nan 0.000 0.462 166 V N 5.961 125.802 119.914 -0.121 0.000 2.364 166 V HA 0.188 4.303 4.120 -0.008 0.000 0.272 166 V C 0.686 176.508 176.094 -0.454 0.000 1.036 166 V CA -0.368 61.812 62.300 -0.201 0.000 0.880 166 V CB 1.362 33.158 31.823 -0.044 0.000 0.991 166 V HN 0.821 nan 8.190 nan 0.000 0.460 167 E N 3.740 123.746 120.200 -0.324 0.000 2.276 167 E HA 0.111 4.456 4.350 -0.008 0.000 0.193 167 E C 0.521 176.913 176.600 -0.346 0.000 0.983 167 E CA 0.421 56.621 56.400 -0.332 0.000 0.861 167 E CB 0.503 30.081 29.700 -0.204 0.000 0.817 167 E HN 0.603 nan 8.360 nan 0.000 0.485 168 R N -0.747 119.587 120.500 -0.277 0.000 2.740 168 R HA 0.368 4.703 4.340 -0.008 0.000 0.282 168 R C 0.442 176.668 176.300 -0.122 0.000 0.969 168 R CA -0.457 55.532 56.100 -0.185 0.000 0.918 168 R CB 0.976 31.233 30.300 -0.073 0.000 1.175 168 R HN -0.085 nan 8.270 nan 0.000 0.464 169 F N 1.184 121.071 119.950 -0.104 0.000 2.546 169 F HA -0.171 4.350 4.527 -0.010 0.000 0.298 169 F C 1.587 177.395 175.800 0.013 0.000 1.120 169 F CA 0.858 58.849 58.000 -0.015 0.000 1.456 169 F CB 0.457 39.458 39.000 0.001 0.000 1.088 169 F HN 0.585 nan 8.300 nan 0.000 0.572 170 Q N -0.298 119.611 119.800 0.182 0.000 2.163 170 Q HA -0.116 4.219 4.340 -0.008 0.000 0.198 170 Q C 1.255 177.312 176.000 0.095 0.000 0.954 170 Q CA 1.012 56.881 55.803 0.110 0.000 0.851 170 Q CB -0.048 28.726 28.738 0.060 0.000 0.928 170 Q HN 0.221 nan 8.270 nan 0.000 0.459 171 D N 0.075 120.521 120.400 0.077 0.000 2.352 171 D HA -0.053 4.582 4.640 -0.008 0.000 0.232 171 D C 1.296 177.657 176.300 0.102 0.000 1.055 171 D CA 0.150 54.188 54.000 0.063 0.000 0.891 171 D CB 0.287 41.101 40.800 0.023 0.000 0.897 171 D HN 0.143 nan 8.370 nan 0.000 0.529 172 L N 1.106 122.430 121.223 0.169 0.000 2.109 172 L HA -0.081 4.254 4.340 -0.008 0.000 0.207 172 L C 2.063 179.003 176.870 0.116 0.000 1.086 172 L CA 1.676 56.642 54.840 0.210 0.000 0.760 172 L CB -0.343 41.925 42.059 0.348 0.000 0.910 172 L HN -0.103 nan 8.230 nan 0.000 0.437 173 E N -0.563 119.697 120.200 0.100 0.000 2.051 173 E HA -0.231 4.114 4.350 -0.008 0.000 0.192 173 E C 2.088 178.725 176.600 0.063 0.000 0.991 173 E CA 1.198 57.644 56.400 0.077 0.000 0.799 173 E CB -0.152 29.588 29.700 0.068 0.000 0.748 173 E HN 0.606 nan 8.360 nan 0.000 0.449 174 A N 0.896 123.750 122.820 0.057 0.000 1.969 174 A HA -0.048 4.267 4.320 -0.008 0.000 0.218 174 A C 2.299 179.903 177.584 0.033 0.000 1.169 174 A CA 1.548 53.613 52.037 0.046 0.000 0.635 174 A CB -0.539 18.487 19.000 0.042 0.000 0.810 174 A HN 0.394 nan 8.150 nan 0.000 0.445 175 A N -0.092 122.748 122.820 0.034 0.000 1.898 175 A HA -0.012 4.303 4.320 -0.008 0.000 0.216 175 A C 2.148 179.692 177.584 -0.068 0.000 1.181 175 A CA 1.435 53.483 52.037 0.018 0.000 0.620 175 A CB -0.570 18.466 19.000 0.061 0.000 0.819 175 A HN 0.461 nan 8.150 nan 0.000 0.442 176 L N -0.734 120.411 121.223 -0.130 0.000 2.046 176 L HA -0.179 4.156 4.340 -0.008 0.000 0.208 176 L C 3.115 179.756 176.870 -0.381 0.000 1.077 176 L CA 1.052 55.634 54.840 -0.429 0.000 0.747 176 L CB -0.602 41.270 42.059 -0.312 0.000 0.896 176 L HN 0.426 nan 8.230 nan 0.000 0.432 177 A N 0.116 122.930 122.820 -0.010 0.000 1.908 177 A HA -0.249 4.066 4.320 -0.008 0.000 0.218 177 A C 2.225 179.854 177.584 0.076 0.000 1.181 177 A CA 1.976 54.096 52.037 0.138 0.000 0.627 177 A CB -0.731 18.333 19.000 0.107 0.000 0.818 177 A HN 0.348 nan 8.150 nan 0.000 0.445 178 L N -0.330 120.909 121.223 0.026 0.000 2.017 178 L HA -0.022 4.313 4.340 -0.008 0.000 0.208 178 L C 2.637 179.566 176.870 0.098 0.000 1.073 178 L CA 2.348 57.222 54.840 0.057 0.000 0.745 178 L CB -0.882 41.224 42.059 0.077 0.000 0.894 178 L HN 0.319 nan 8.230 nan 0.000 0.432 179 A N -0.800 122.029 122.820 0.015 0.000 1.902 179 A HA -0.195 4.120 4.320 -0.008 0.000 0.217 179 A C 2.202 179.852 177.584 0.110 0.000 1.181 179 A CA 1.758 53.824 52.037 0.049 0.000 0.623 179 A CB -1.293 17.610 19.000 -0.162 0.000 0.818 179 A HN 0.539 nan 8.150 nan 0.000 0.443 180 F N -0.333 119.657 119.950 0.068 0.000 2.664 180 F HA -0.107 4.412 4.527 -0.013 0.000 0.297 180 F C 2.242 178.017 175.800 -0.041 0.000 1.164 180 F CA 0.360 58.373 58.000 0.022 0.000 1.472 180 F CB 0.015 39.020 39.000 0.010 0.000 1.108 180 F HN 0.188 nan 8.300 nan 0.000 0.596 181 R N -1.447 119.070 120.500 0.028 0.000 2.317 181 R HA 0.022 4.357 4.340 -0.008 0.000 0.208 181 R C 0.358 176.385 176.300 -0.455 0.000 0.914 181 R CA 0.441 56.395 56.100 -0.244 0.000 1.060 181 R CB 0.083 30.140 30.300 -0.406 0.000 1.015 181 R HN 0.353 nan 8.270 nan 0.000 0.498 182 Y N -1.075 119.268 120.300 0.072 0.000 2.512 182 Y HA 0.259 4.802 4.550 -0.010 0.000 0.268 182 Y C 0.114 176.041 175.900 0.045 0.000 1.102 182 Y CA -0.619 57.505 58.100 0.040 0.000 1.261 182 Y CB 0.917 39.389 38.460 0.021 0.000 1.250 182 Y HN -0.131 nan 8.280 nan 0.000 0.506 183 D N -0.794 119.738 120.400 0.221 0.000 2.837 183 D HA 0.152 4.787 4.640 -0.008 0.000 0.220 183 D C 0.382 176.814 176.300 0.220 0.000 1.236 183 D CA -0.163 53.940 54.000 0.171 0.000 0.838 183 D CB 1.665 42.555 40.800 0.150 0.000 1.647 183 D HN -0.083 nan 8.370 nan 0.000 0.486 184 E N 1.509 121.788 120.200 0.130 0.000 2.153 184 E HA -0.111 4.234 4.350 -0.008 0.000 0.194 184 E C 0.430 177.118 176.600 0.147 0.000 0.988 184 E CA 0.907 57.348 56.400 0.068 0.000 0.811 184 E CB 0.158 29.861 29.700 0.004 0.000 0.746 184 E HN 0.326 nan 8.360 nan 0.000 0.466 185 K N 0.285 120.811 120.400 0.210 0.000 2.207 185 K HA 0.542 4.857 4.320 -0.008 0.000 0.255 185 K C -1.220 175.547 176.600 0.278 0.000 0.941 185 K CA -0.412 56.029 56.287 0.257 0.000 0.825 185 K CB 1.768 34.356 32.500 0.146 0.000 1.119 185 K HN -0.029 nan 8.250 nan 0.000 0.430 186 A N 2.262 125.252 122.820 0.284 0.000 2.479 186 A HA 0.710 5.025 4.320 -0.008 0.000 0.296 186 A C -1.140 176.509 177.584 0.108 0.000 1.121 186 A CA -0.729 51.370 52.037 0.104 0.000 0.743 186 A CB 1.498 20.402 19.000 -0.160 0.000 1.323 186 A HN 0.556 nan 8.150 nan 0.000 0.415 187 V N -1.546 118.419 119.914 0.084 0.000 2.823 187 V HA 0.846 4.961 4.120 -0.008 0.000 0.312 187 V C -0.776 175.387 176.094 0.116 0.000 1.072 187 V CA -0.783 61.611 62.300 0.155 0.000 0.937 187 V CB 1.367 33.302 31.823 0.187 0.000 1.013 187 V HN 0.718 nan 8.190 nan 0.000 0.430 188 V N 3.120 123.116 119.914 0.137 0.000 2.350 188 V HA 0.513 4.628 4.120 -0.008 0.000 0.285 188 V C -0.156 176.122 176.094 0.307 0.000 1.014 188 V CA -0.284 62.043 62.300 0.044 0.000 0.831 188 V CB 1.016 32.660 31.823 -0.298 0.000 1.000 188 V HN 1.031 nan 8.190 nan 0.000 0.433 189 E N 2.927 123.327 120.200 0.333 0.000 2.158 189 E HA 0.401 4.746 4.350 -0.008 0.000 0.271 189 E C -0.612 176.165 176.600 0.295 0.000 0.911 189 E CA -1.127 55.481 56.400 0.347 0.000 0.767 189 E CB 2.145 32.026 29.700 0.301 0.000 1.120 189 E HN 0.456 nan 8.360 nan 0.000 0.405 190 K N 2.087 122.449 120.400 -0.063 0.000 2.472 190 K HA 0.094 4.409 4.320 -0.008 0.000 0.280 190 K C -0.838 175.711 176.600 -0.084 0.000 1.028 190 K CA 0.083 56.251 56.287 -0.199 0.000 1.045 190 K CB 0.424 32.502 32.500 -0.704 0.000 0.902 190 K HN 0.537 nan 8.250 nan 0.000 0.478 191 A N 5.274 128.025 122.820 -0.116 0.000 2.327 191 A HA 0.504 4.819 4.320 -0.008 0.000 0.283 191 A C -0.698 176.761 177.584 -0.208 0.000 1.127 191 A CA -0.650 51.258 52.037 -0.215 0.000 0.810 191 A CB 0.198 18.835 19.000 -0.605 0.000 1.066 191 A HN 0.707 nan 8.150 nan 0.000 0.492 192 L N 1.577 122.668 121.223 -0.220 0.000 2.329 192 L HA 0.707 5.042 4.340 -0.008 0.000 0.279 192 L C 0.191 176.966 176.870 -0.159 0.000 1.014 192 L CA -0.353 54.360 54.840 -0.212 0.000 0.814 192 L CB 2.003 43.898 42.059 -0.273 0.000 1.257 192 L HN 0.687 nan 8.230 nan 0.000 0.424 193 S N 2.189 117.825 115.700 -0.105 0.000 2.563 193 S HA 0.624 5.089 4.470 -0.008 0.000 0.279 193 S C -2.565 172.011 174.600 -0.040 0.000 1.155 193 S CA -0.860 57.299 58.200 -0.068 0.000 0.928 193 S CB 1.442 64.596 63.200 -0.076 0.000 1.107 193 S HN 0.468 nan 8.310 nan 0.000 0.462 194 P HA 0.600 nan 4.420 nan 0.000 0.274 194 P C -1.287 176.017 177.300 0.007 0.000 1.246 194 P CA -0.617 62.482 63.100 -0.002 0.000 0.795 194 P CB 0.684 32.391 31.700 0.013 0.000 1.006 195 V N 0.495 120.423 119.914 0.024 0.000 3.048 195 V HA 0.484 4.599 4.120 -0.008 0.000 0.303 195 V C -1.317 174.848 176.094 0.117 0.000 1.214 195 V CA -0.812 61.519 62.300 0.052 0.000 0.984 195 V CB 2.309 34.100 31.823 -0.053 0.000 1.054 195 V HN 0.524 nan 8.190 nan 0.000 0.430 196 R N 3.215 123.818 120.500 0.172 0.000 2.711 196 R HA 0.644 4.979 4.340 -0.008 0.000 0.284 196 R C -1.115 175.345 176.300 0.267 0.000 0.968 196 R CA -0.702 55.503 56.100 0.176 0.000 0.924 196 R CB 2.260 32.630 30.300 0.116 0.000 1.162 196 R HN 0.703 nan 8.270 nan 0.000 0.465 197 E N 2.750 123.085 120.200 0.225 0.000 2.113 197 E HA 0.311 4.656 4.350 -0.008 0.000 0.273 197 E C -0.876 175.786 176.600 0.103 0.000 0.924 197 E CA -0.340 56.189 56.400 0.215 0.000 0.764 197 E CB 1.311 31.142 29.700 0.219 0.000 1.104 197 E HN 0.215 nan 8.360 nan 0.000 0.406 198 L N 2.787 124.072 121.223 0.103 0.000 2.346 198 L HA 0.530 4.865 4.340 -0.008 0.000 0.274 198 L C -0.153 176.774 176.870 0.096 0.000 1.007 198 L CA -0.715 54.164 54.840 0.065 0.000 0.818 198 L CB 1.700 43.781 42.059 0.036 0.000 1.284 198 L HN 0.450 nan 8.230 nan 0.000 0.424 199 E N 1.749 121.979 120.200 0.050 0.000 2.314 199 E HA 0.656 5.001 4.350 -0.008 0.000 0.272 199 E C -1.570 175.050 176.600 0.033 0.000 0.884 199 E CA -0.709 55.733 56.400 0.069 0.000 0.753 199 E CB 3.619 33.332 29.700 0.022 0.000 1.213 199 E HN 0.225 nan 8.360 nan 0.000 0.432 200 V N 1.175 121.135 119.914 0.077 0.000 2.808 200 V HA 0.726 4.841 4.120 -0.008 0.000 0.308 200 V C -0.573 175.548 176.094 0.046 0.000 1.099 200 V CA -0.341 61.957 62.300 -0.002 0.000 0.920 200 V CB 2.010 33.827 31.823 -0.011 0.000 1.014 200 V HN 0.756 nan 8.190 nan 0.000 0.425 201 G N 4.181 112.932 108.800 -0.081 0.000 2.400 201 G HA2 0.611 4.566 3.960 -0.008 0.000 0.301 201 G HA3 0.611 4.566 3.960 -0.008 0.000 0.301 201 G C -1.147 173.885 174.900 0.221 0.000 1.154 201 G CA -0.432 44.757 45.100 0.148 0.000 0.852 201 G HN 0.907 nan 8.290 nan 0.000 0.511 202 V N 1.836 122.045 119.914 0.493 0.000 2.735 202 V HA 0.626 4.741 4.120 -0.008 0.000 0.310 202 V C -0.712 175.559 176.094 0.294 0.000 1.061 202 V CA -0.795 61.621 62.300 0.194 0.000 0.913 202 V CB 1.672 33.270 31.823 -0.375 0.000 1.005 202 V HN 0.701 nan 8.190 nan 0.000 0.428 203 L N 3.488 124.787 121.223 0.127 0.000 2.436 203 L HA 1.036 5.371 4.340 -0.008 0.000 0.268 203 L C -0.119 176.748 176.870 -0.005 0.000 0.974 203 L CA 0.833 55.683 54.840 0.017 0.000 0.826 203 L CB 1.665 43.539 42.059 -0.309 0.000 1.291 203 L HN 1.101 nan 8.230 nan 0.000 0.406 204 G N 2.777 111.618 108.800 0.069 0.000 2.347 204 G HA2 -0.011 3.944 3.960 -0.008 0.000 0.477 204 G HA3 -0.011 3.944 3.960 -0.008 0.000 0.477 204 G C -1.750 173.275 174.900 0.208 0.000 1.349 204 G CA -1.038 44.122 45.100 0.101 0.000 1.000 204 G HN 0.640 nan 8.290 nan 0.000 0.605 205 N N 0.753 119.552 118.700 0.165 0.000 2.439 205 N HA 0.495 5.230 4.740 -0.008 0.000 0.249 205 N C 1.497 177.102 175.510 0.158 0.000 1.003 205 N CA 0.558 53.692 53.050 0.139 0.000 0.942 205 N CB 1.495 40.021 38.487 0.065 0.000 1.115 205 N HN 1.225 nan 8.380 nan 0.000 0.505 206 V N 1.215 121.203 119.914 0.124 0.000 0.524 206 V HA -0.365 3.750 4.120 -0.008 0.000 0.092 206 V C 0.162 176.184 176.094 -0.121 0.000 2.204 206 V CA 1.608 63.850 62.300 -0.095 0.000 3.556 206 V CB -1.327 30.302 31.823 -0.323 0.000 0.846 206 V HN 0.580 nan 8.190 nan 0.000 0.884 207 F N 2.008 122.061 119.950 0.172 0.000 2.334 207 F HA 0.672 5.200 4.527 0.002 0.000 0.365 207 F C 0.992 176.837 175.800 0.075 0.000 1.124 207 F CA 0.445 58.514 58.000 0.115 0.000 1.166 207 F CB 0.880 39.920 39.000 0.066 0.000 1.355 207 F HN 0.260 nan 8.300 nan 0.000 0.532 208 G N 1.785 110.642 108.800 0.095 0.000 2.557 208 G HA2 0.394 4.349 3.960 -0.008 0.000 0.292 208 G HA3 0.394 4.349 3.960 -0.008 0.000 0.292 208 G C -1.283 173.607 174.900 -0.017 0.000 1.237 208 G CA -0.506 44.538 45.100 -0.094 0.000 0.978 208 G HN 0.508 nan 8.290 nan 0.000 0.498 209 E N -0.488 119.709 120.200 -0.005 0.000 2.176 209 E HA 0.546 4.891 4.350 -0.008 0.000 0.267 209 E C -0.363 176.302 176.600 0.110 0.000 0.893 209 E CA -0.861 55.578 56.400 0.066 0.000 0.761 209 E CB 1.546 31.308 29.700 0.103 0.000 1.133 209 E HN 0.567 nan 8.360 nan 0.000 0.409 210 A N 3.146 125.993 122.820 0.044 0.000 2.310 210 A HA 0.462 4.777 4.320 -0.008 0.000 0.299 210 A C 0.174 177.685 177.584 -0.122 0.000 1.147 210 A CA -0.397 51.627 52.037 -0.021 0.000 0.818 210 A CB 0.941 19.910 19.000 -0.051 0.000 1.096 210 A HN 0.707 nan 8.150 nan 0.000 0.495 211 S N 2.286 117.740 115.700 -0.410 0.000 2.681 211 S HA 0.663 5.128 4.470 -0.008 0.000 0.270 211 S C -2.692 171.686 174.600 -0.370 0.000 1.209 211 S CA -1.206 56.586 58.200 -0.679 0.000 0.988 211 S CB 0.297 62.626 63.200 -1.452 0.000 1.006 211 S HN 0.444 nan 8.310 nan 0.000 0.558 212 P HA 0.241 nan 4.420 nan 0.000 0.272 212 P C -0.902 176.276 177.300 -0.204 0.000 1.230 212 P CA -0.501 62.476 63.100 -0.205 0.000 0.788 212 P CB 0.329 31.927 31.700 -0.170 0.000 0.949 213 V N 1.503 121.325 119.914 -0.155 0.000 2.649 213 V HA 0.539 4.654 4.120 -0.008 0.000 0.292 213 V C 0.991 177.016 176.094 -0.115 0.000 1.055 213 V CA 0.324 62.543 62.300 -0.136 0.000 1.023 213 V CB 0.743 32.485 31.823 -0.134 0.000 0.992 213 V HN 0.744 nan 8.190 nan 0.000 0.480 214 G N 2.902 111.644 108.800 -0.098 0.000 2.537 214 G HA2 0.690 4.645 3.960 -0.008 0.000 0.308 214 G HA3 0.690 4.645 3.960 -0.008 0.000 0.308 214 G C -1.286 173.578 174.900 -0.060 0.000 1.237 214 G CA -0.437 44.613 45.100 -0.084 0.000 0.968 214 G HN 0.681 nan 8.290 nan 0.000 0.481 215 E N -0.797 119.367 120.200 -0.061 0.000 2.293 215 E HA 0.516 4.861 4.350 -0.008 0.000 0.270 215 E C -1.191 175.360 176.600 -0.081 0.000 0.879 215 E CA -0.887 55.483 56.400 -0.050 0.000 0.756 215 E CB 2.624 32.301 29.700 -0.038 0.000 1.208 215 E HN 0.536 nan 8.360 nan 0.000 0.428 216 V N 3.537 123.393 119.914 -0.097 0.000 2.417 216 V HA 0.701 4.816 4.120 -0.008 0.000 0.291 216 V C -1.064 174.850 176.094 -0.300 0.000 1.024 216 V CA -0.563 61.608 62.300 -0.214 0.000 0.861 216 V CB 1.363 33.039 31.823 -0.244 0.000 0.985 216 V HN 0.617 nan 8.190 nan 0.000 0.436 217 R N 4.257 124.538 120.500 -0.365 0.000 2.778 217 R HA 0.549 4.884 4.340 -0.008 0.000 0.277 217 R C -1.725 174.273 176.300 -0.502 0.000 0.977 217 R CA -0.497 55.424 56.100 -0.298 0.000 0.950 217 R CB 2.128 32.355 30.300 -0.121 0.000 1.165 217 R HN 0.838 nan 8.270 nan 0.000 0.474 218 Y N 0.552 120.860 120.300 0.014 0.000 2.341 218 Y HA 0.276 4.820 4.550 -0.010 0.000 0.338 218 Y C 0.769 176.673 175.900 0.007 0.000 0.965 218 Y CA -0.660 57.446 58.100 0.010 0.000 1.108 218 Y CB 1.422 39.890 38.460 0.014 0.000 1.180 218 Y HN 0.386 nan 8.280 nan 0.000 0.458 219 E N 1.487 121.761 120.200 0.124 0.000 2.376 219 E HA 0.517 4.862 4.350 -0.008 0.000 0.254 219 E C -0.259 176.389 176.600 0.081 0.000 1.213 219 E CA -0.690 55.755 56.400 0.074 0.000 0.945 219 E CB 0.661 30.387 29.700 0.043 0.000 1.057 219 E HN 0.712 nan 8.360 nan 0.000 0.479 220 A N 2.037 124.888 122.820 0.051 0.000 2.425 220 A HA 0.232 4.547 4.320 -0.008 0.000 0.242 220 A C -1.493 176.112 177.584 0.035 0.000 1.077 220 A CA -0.937 51.123 52.037 0.040 0.000 0.781 220 A CB -0.597 18.419 19.000 0.026 0.000 1.020 220 A HN 0.480 nan 8.150 nan 0.000 0.494 234 A N 1.168 124.046 122.820 0.097 0.000 2.445 234 A HA 0.353 4.668 4.320 -0.008 0.000 0.242 234 A C -0.442 177.070 177.584 -0.120 0.000 1.075 234 A CA 0.035 52.022 52.037 -0.085 0.000 0.777 234 A CB 0.555 19.523 19.000 -0.053 0.000 1.013 234 A HN 0.693 nan 8.150 nan 0.000 0.493 235 E N 0.945 121.018 120.200 -0.212 0.000 2.256 235 E HA 0.518 4.863 4.350 -0.008 0.000 0.268 235 E C -1.879 174.628 176.600 -0.154 0.000 0.877 235 E CA -0.650 55.666 56.400 -0.141 0.000 0.757 235 E CB 1.213 30.842 29.700 -0.118 0.000 1.183 235 E HN 0.484 nan 8.360 nan 0.000 0.418 236 L N 4.571 125.729 121.223 -0.108 0.000 2.287 236 L HA 0.391 4.726 4.340 -0.008 0.000 0.287 236 L C -0.699 176.121 176.870 -0.083 0.000 1.022 236 L CA -0.237 54.543 54.840 -0.100 0.000 0.814 236 L CB 1.197 43.204 42.059 -0.086 0.000 1.217 236 L HN 0.467 nan 8.230 nan 0.000 0.420 237 L N 5.269 126.443 121.223 -0.081 0.000 2.264 237 L HA 0.516 4.851 4.340 -0.008 0.000 0.287 237 L C -0.784 176.045 176.870 -0.069 0.000 1.039 237 L CA -0.363 54.436 54.840 -0.068 0.000 0.829 237 L CB 0.770 42.792 42.059 -0.061 0.000 1.211 237 L HN 0.382 nan 8.230 nan 0.000 0.427 238 I N 4.669 125.198 120.570 -0.068 0.000 2.410 238 I HA 0.449 4.614 4.170 -0.008 0.000 0.286 238 I C -1.615 174.463 176.117 -0.066 0.000 1.009 238 I CA -1.788 59.467 61.300 -0.075 0.000 1.111 238 I CB 1.042 38.992 38.000 -0.084 0.000 1.262 238 I HN 0.443 nan 8.210 nan 0.000 0.443 239 P HA 0.529 nan 4.420 nan 0.000 0.280 239 P C -0.564 176.697 177.300 -0.066 0.000 1.272 239 P CA -0.537 62.518 63.100 -0.075 0.000 0.819 239 P CB 1.197 32.852 31.700 -0.075 0.000 1.122 240 A N 2.170 124.948 122.820 -0.069 0.000 2.488 240 A HA 0.323 4.638 4.320 -0.008 0.000 0.249 240 A C -1.813 175.741 177.584 -0.050 0.000 1.083 240 A CA -1.068 50.934 52.037 -0.058 0.000 0.768 240 A CB -0.976 17.988 19.000 -0.060 0.000 1.017 240 A HN 0.430 nan 8.150 nan 0.000 0.496 241 P HA 0.287 nan 4.420 nan 0.000 0.268 241 P C -1.036 176.245 177.300 -0.032 0.000 1.485 241 P CA 0.605 63.685 63.100 -0.033 0.000 1.102 241 P CB -0.161 31.523 31.700 -0.026 0.000 1.501 242 L N 1.915 123.114 121.223 -0.039 0.000 2.350 242 L HA 0.460 4.795 4.340 -0.008 0.000 0.260 242 L C 0.439 177.285 176.870 -0.041 0.000 1.015 242 L CA -1.142 53.674 54.840 -0.041 0.000 0.821 242 L CB 1.927 43.952 42.059 -0.056 0.000 1.370 242 L HN 0.091 nan 8.230 nan 0.000 0.416 243 D N 2.249 122.627 120.400 -0.038 0.000 2.368 243 D HA 0.073 4.708 4.640 -0.008 0.000 0.240 243 D C -1.497 174.777 176.300 -0.044 0.000 1.169 243 D CA -0.985 52.994 54.000 -0.035 0.000 0.906 243 D CB 1.085 41.866 40.800 -0.031 0.000 1.187 243 D HN 0.325 nan 8.370 nan 0.000 0.435 244 P HA -0.182 nan 4.420 nan 0.000 0.214 244 P C 1.402 178.672 177.300 -0.050 0.000 1.163 244 P CA 1.468 64.542 63.100 -0.043 0.000 0.889 244 P CB 0.056 31.735 31.700 -0.035 0.000 0.790 245 G N -0.527 108.247 108.800 -0.044 0.000 2.440 245 G HA2 -0.246 3.709 3.960 -0.008 0.000 0.218 245 G HA3 -0.246 3.709 3.960 -0.008 0.000 0.218 245 G C 1.586 176.447 174.900 -0.065 0.000 1.154 245 G CA 1.754 46.825 45.100 -0.048 0.000 0.767 245 G HN 0.228 nan 8.290 nan 0.000 0.552 246 T N 0.402 114.915 114.554 -0.068 0.000 2.652 246 T HA -0.187 4.158 4.350 -0.008 0.000 0.267 246 T C 2.266 176.892 174.700 -0.123 0.000 1.039 246 T CA 1.584 63.630 62.100 -0.090 0.000 1.153 246 T CB -0.321 68.501 68.868 -0.075 0.000 0.863 246 T HN 0.436 nan 8.240 nan 0.000 0.428 247 Q N 0.904 120.640 119.800 -0.107 0.000 2.112 247 Q HA -0.223 4.112 4.340 -0.008 0.000 0.206 247 Q C 2.083 178.004 176.000 -0.131 0.000 0.987 247 Q CA 1.766 57.495 55.803 -0.123 0.000 0.858 247 Q CB -0.137 28.544 28.738 -0.096 0.000 0.905 247 Q HN 0.646 nan 8.270 nan 0.000 0.420 248 E N -0.526 119.613 120.200 -0.101 0.000 2.106 248 E HA -0.120 4.225 4.350 -0.008 0.000 0.192 248 E C 2.020 178.561 176.600 -0.099 0.000 0.984 248 E CA 1.550 57.898 56.400 -0.087 0.000 0.806 248 E CB -0.004 29.660 29.700 -0.060 0.000 0.750 248 E HN 0.378 nan 8.360 nan 0.000 0.458 249 T N 0.980 115.466 114.554 -0.113 0.000 2.746 249 T HA -0.117 4.228 4.350 -0.008 0.000 0.267 249 T C 2.134 176.715 174.700 -0.199 0.000 1.039 249 T CA 0.902 62.930 62.100 -0.120 0.000 1.142 249 T CB -0.177 68.623 68.868 -0.113 0.000 0.866 249 T HN -0.030 nan 8.240 nan 0.000 0.444 250 V N 1.563 121.291 119.914 -0.310 0.000 2.255 250 V HA -0.257 3.857 4.120 -0.008 0.000 0.247 250 V C 2.635 178.500 176.094 -0.383 0.000 1.051 250 V CA 1.797 63.740 62.300 -0.594 0.000 1.018 250 V CB -0.701 30.777 31.823 -0.575 0.000 0.641 250 V HN 0.507 nan 8.190 nan 0.000 0.445 251 Q N -0.657 119.017 119.800 -0.209 0.000 2.096 251 Q HA -0.243 4.092 4.340 -0.008 0.000 0.204 251 Q C 2.472 178.448 176.000 -0.039 0.000 0.982 251 Q CA 1.798 57.539 55.803 -0.102 0.000 0.850 251 Q CB -0.269 28.415 28.738 -0.090 0.000 0.901 251 Q HN 0.624 nan 8.270 nan 0.000 0.422 252 E N 0.891 121.064 120.200 -0.045 0.000 2.051 252 E HA -0.197 4.148 4.350 -0.008 0.000 0.192 252 E C 2.009 178.637 176.600 0.046 0.000 0.991 252 E CA 0.992 57.393 56.400 0.001 0.000 0.799 252 E CB -0.081 29.613 29.700 -0.011 0.000 0.748 252 E HN 0.358 nan 8.360 nan 0.000 0.449 253 L N 0.325 121.580 121.223 0.053 0.000 2.046 253 L HA -0.183 4.152 4.340 -0.008 0.000 0.208 253 L C 2.787 179.811 176.870 0.258 0.000 1.077 253 L CA 1.159 56.097 54.840 0.165 0.000 0.747 253 L CB -0.609 41.601 42.059 0.253 0.000 0.896 253 L HN 0.137 nan 8.230 nan 0.000 0.432 254 A N -0.051 122.969 122.820 0.332 0.000 1.883 254 A HA -0.216 4.099 4.320 -0.008 0.000 0.217 254 A C 2.155 179.853 177.584 0.190 0.000 1.186 254 A CA 1.601 53.831 52.037 0.323 0.000 0.624 254 A CB -0.659 18.522 19.000 0.302 0.000 0.822 254 A HN 0.262 nan 8.150 nan 0.000 0.444 255 L N -0.175 121.118 121.223 0.117 0.000 2.083 255 L HA -0.125 4.210 4.340 -0.008 0.000 0.209 255 L C 2.389 179.338 176.870 0.131 0.000 1.083 255 L CA 2.317 57.211 54.840 0.090 0.000 0.752 255 L CB -0.730 41.363 42.059 0.055 0.000 0.899 255 L HN 0.548 nan 8.230 nan 0.000 0.433 256 K N -0.757 119.712 120.400 0.116 0.000 2.025 256 K HA -0.143 4.172 4.320 -0.008 0.000 0.207 256 K C 2.077 178.731 176.600 0.089 0.000 1.049 256 K CA 1.302 57.645 56.287 0.095 0.000 0.933 256 K CB -0.100 32.450 32.500 0.083 0.000 0.714 256 K HN 0.243 nan 8.250 nan 0.000 0.438 257 A N 0.389 123.271 122.820 0.104 0.000 1.883 257 A HA -0.214 4.101 4.320 -0.008 0.000 0.217 257 A C 2.093 179.723 177.584 0.076 0.000 1.186 257 A CA 1.561 53.639 52.037 0.067 0.000 0.624 257 A CB -1.053 17.976 19.000 0.048 0.000 0.822 257 A HN 0.579 nan 8.150 nan 0.000 0.444 258 Y N 0.480 120.772 120.300 -0.012 0.000 2.165 258 Y HA -0.271 4.284 4.550 0.008 0.000 0.286 258 Y C 2.493 178.345 175.900 -0.080 0.000 1.155 258 Y CA 2.525 60.608 58.100 -0.029 0.000 1.164 258 Y CB -0.110 38.354 38.460 0.007 0.000 0.978 258 Y HN 0.356 nan 8.280 nan 0.000 0.513 259 K N -0.710 119.750 120.400 0.099 0.000 2.025 259 K HA -0.128 4.187 4.320 -0.008 0.000 0.207 259 K C 1.897 178.424 176.600 -0.122 0.000 1.049 259 K CA 1.576 57.805 56.287 -0.097 0.000 0.933 259 K CB -0.334 32.092 32.500 -0.123 0.000 0.714 259 K HN 0.226 nan 8.250 nan 0.000 0.438 260 V N 1.791 121.672 119.914 -0.055 0.000 2.407 260 V HA -0.218 3.897 4.120 -0.008 0.000 0.248 260 V C 2.138 178.188 176.094 -0.074 0.000 1.055 260 V CA 1.494 63.764 62.300 -0.049 0.000 1.049 260 V CB -0.289 31.525 31.823 -0.015 0.000 0.662 260 V HN 0.339 nan 8.190 nan 0.000 0.455 261 L N 0.229 121.394 121.223 -0.095 0.000 2.554 261 L HA 0.220 4.555 4.340 -0.008 0.000 0.226 261 L C 1.731 178.502 176.870 -0.165 0.000 1.137 261 L CA 0.817 55.585 54.840 -0.120 0.000 0.863 261 L CB -0.672 41.309 42.059 -0.130 0.000 0.985 261 L HN 0.558 nan 8.230 nan 0.000 0.451 262 G N 0.622 109.302 108.800 -0.200 0.000 2.198 262 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.260 262 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.260 262 G C 0.286 175.010 174.900 -0.293 0.000 1.025 262 G CA 0.184 45.154 45.100 -0.217 0.000 0.769 262 G HN 0.124 nan 8.290 nan 0.000 0.507 263 V N -0.582 119.030 119.914 -0.504 0.000 2.872 263 V HA 0.201 4.316 4.120 -0.008 0.000 0.307 263 V C 1.713 177.494 176.094 -0.522 0.000 1.072 263 V CA 1.071 62.971 62.300 -0.665 0.000 1.148 263 V CB 1.229 32.279 31.823 -1.288 0.000 0.954 263 V HN 0.510 nan 8.190 nan 0.000 0.490 264 R N 2.123 122.461 120.500 -0.272 0.000 2.144 264 R HA 0.192 4.527 4.340 -0.008 0.000 0.195 264 R C 2.069 178.379 176.300 0.018 0.000 1.077 264 R CA 0.807 56.845 56.100 -0.105 0.000 1.120 264 R CB -0.085 30.134 30.300 -0.135 0.000 1.060 264 R HN 0.862 nan 8.270 nan 0.000 0.520 265 G N 1.053 109.856 108.800 0.006 0.000 2.497 265 G HA2 0.133 4.088 3.960 -0.008 0.000 0.210 265 G HA3 0.133 4.088 3.960 -0.008 0.000 0.210 265 G C 0.736 175.729 174.900 0.155 0.000 1.177 265 G CA 0.468 45.589 45.100 0.034 0.000 0.822 265 G HN 0.178 nan 8.290 nan 0.000 0.550 266 M N -2.319 117.396 119.600 0.193 0.000 3.008 266 M HA 0.722 5.197 4.480 -0.008 0.000 0.271 266 M C -1.995 174.463 176.300 0.263 0.000 1.265 266 M CA -0.940 54.506 55.300 0.243 0.000 0.817 266 M CB 1.908 34.538 32.600 0.049 0.000 1.638 266 M HN 0.797 nan 8.290 nan 0.000 0.479 267 A N 1.112 124.054 122.820 0.204 0.000 2.594 267 A HA 0.587 4.902 4.320 -0.008 0.000 0.301 267 A C -1.899 175.798 177.584 0.187 0.000 1.022 267 A CA -0.723 51.416 52.037 0.170 0.000 0.738 267 A CB 1.410 20.627 19.000 0.361 0.000 1.263 267 A HN 0.917 nan 8.150 nan 0.000 0.409 268 R N 2.014 122.567 120.500 0.089 0.000 2.265 268 R HA 0.615 4.950 4.340 -0.008 0.000 0.328 268 R C -1.360 174.991 176.300 0.084 0.000 0.969 268 R CA -0.323 55.871 56.100 0.156 0.000 0.832 268 R CB 1.090 31.453 30.300 0.105 0.000 1.139 268 R HN 0.570 nan 8.270 nan 0.000 0.457 269 V N 4.665 124.644 119.914 0.110 0.000 2.370 269 V HA 0.216 4.331 4.120 -0.008 0.000 0.279 269 V C -0.419 175.675 176.094 -0.000 0.000 1.029 269 V CA -0.700 61.611 62.300 0.019 0.000 0.870 269 V CB 1.497 33.378 31.823 0.096 0.000 0.984 269 V HN 0.726 nan 8.190 nan 0.000 0.451 270 D N 4.224 124.508 120.400 -0.193 0.000 2.168 270 D HA 0.639 5.274 4.640 -0.008 0.000 0.246 270 D C -0.630 175.426 176.300 -0.405 0.000 1.050 270 D CA 0.081 53.968 54.000 -0.187 0.000 0.857 270 D CB 1.655 42.310 40.800 -0.241 0.000 1.169 270 D HN 0.265 nan 8.370 nan 0.000 0.453 271 F N 0.689 120.507 119.950 -0.219 0.000 2.611 271 F HA 0.537 5.063 4.527 -0.002 0.000 0.324 271 F C -0.323 175.362 175.800 -0.192 0.000 1.061 271 F CA -0.996 56.896 58.000 -0.181 0.000 0.954 271 F CB 1.218 40.190 39.000 -0.047 0.000 1.301 271 F HN 0.090 nan 8.300 nan 0.000 0.482 272 F N 1.937 122.080 119.950 0.322 0.000 2.508 272 F HA 0.620 5.143 4.527 -0.007 0.000 0.325 272 F C -0.713 175.263 175.800 0.293 0.000 1.090 272 F CA -1.123 57.029 58.000 0.254 0.000 0.945 272 F CB 1.810 40.939 39.000 0.215 0.000 1.156 272 F HN 0.105 nan 8.300 nan 0.000 0.463 273 L N 3.476 124.948 121.223 0.416 0.000 2.342 273 L HA 0.850 5.185 4.340 -0.008 0.000 0.276 273 L C -1.034 175.975 176.870 0.232 0.000 0.997 273 L CA -0.500 54.497 54.840 0.262 0.000 0.838 273 L CB 0.765 42.912 42.059 0.147 0.000 1.224 273 L HN 0.622 nan 8.230 nan 0.000 0.416 274 A N 3.756 126.732 122.820 0.261 0.000 2.353 274 A HA 0.650 4.965 4.320 -0.008 0.000 0.299 274 A C -0.048 177.634 177.584 0.162 0.000 1.089 274 A CA -0.319 51.833 52.037 0.192 0.000 0.736 274 A CB 0.526 19.637 19.000 0.185 0.000 1.195 274 A HN 0.811 nan 8.150 nan 0.000 0.447 275 E N 1.510 121.768 120.200 0.096 0.000 2.297 275 E HA -0.271 4.074 4.350 -0.008 0.000 0.228 275 E C 1.036 177.670 176.600 0.056 0.000 1.213 275 E CA 1.049 57.490 56.400 0.069 0.000 0.712 275 E CB -1.723 28.021 29.700 0.073 0.000 1.202 275 E HN 2.308 nan 8.360 nan 0.000 0.376 276 G N -0.221 108.607 108.800 0.046 0.000 2.196 276 G HA2 -0.354 3.601 3.960 -0.008 0.000 0.268 276 G HA3 -0.354 3.601 3.960 -0.008 0.000 0.268 276 G C 0.058 174.955 174.900 -0.005 0.000 0.975 276 G CA 0.914 46.024 45.100 0.018 0.000 0.648 276 G HN 0.356 nan 8.290 nan 0.000 0.538 277 E N -0.293 119.911 120.200 0.006 0.000 2.204 277 E HA 0.612 4.957 4.350 -0.008 0.000 0.276 277 E C 0.201 176.692 176.600 -0.182 0.000 0.974 277 E CA -0.630 55.699 56.400 -0.118 0.000 0.815 277 E CB 1.789 31.410 29.700 -0.132 0.000 1.119 277 E HN 0.295 nan 8.360 nan 0.000 0.393 278 L N 2.726 123.775 121.223 -0.289 0.000 2.322 278 L HA 0.409 4.744 4.340 -0.008 0.000 0.279 278 L C -0.995 175.691 176.870 -0.307 0.000 1.036 278 L CA -0.755 54.002 54.840 -0.138 0.000 0.807 278 L CB 0.666 42.688 42.059 -0.062 0.000 1.226 278 L HN 0.461 nan 8.230 nan 0.000 0.433 279 Y N 2.839 123.319 120.300 0.301 0.000 2.354 279 Y HA 0.328 4.872 4.550 -0.011 0.000 0.330 279 Y C -0.246 175.729 175.900 0.125 0.000 1.011 279 Y CA -0.570 57.666 58.100 0.226 0.000 1.099 279 Y CB 1.869 40.472 38.460 0.239 0.000 1.179 279 Y HN 0.369 nan 8.280 nan 0.000 0.442 280 L N 3.663 124.915 121.223 0.048 0.000 2.433 280 L HA 0.161 4.496 4.340 -0.008 0.000 0.275 280 L C 0.648 177.319 176.870 -0.331 0.000 1.128 280 L CA 0.196 54.730 54.840 -0.510 0.000 0.875 280 L CB 0.502 42.285 42.059 -0.459 0.000 1.171 280 L HN 0.835 nan 8.230 nan 0.000 0.463 281 N N 3.791 122.209 118.700 -0.471 0.000 2.245 281 N HA -0.010 4.725 4.740 -0.008 0.000 0.185 281 N C -0.171 175.134 175.510 -0.342 0.000 1.036 281 N CA 0.786 53.589 53.050 -0.412 0.000 0.857 281 N CB 0.414 38.383 38.487 -0.863 0.000 1.015 281 N HN 0.740 nan 8.380 nan 0.000 0.436 282 E N -0.881 119.096 120.200 -0.372 0.000 2.372 282 E HA 0.317 4.662 4.350 -0.008 0.000 0.279 282 E C -1.960 174.503 176.600 -0.229 0.000 0.946 282 E CA -0.650 55.594 56.400 -0.260 0.000 0.769 282 E CB 1.157 30.733 29.700 -0.208 0.000 1.230 282 E HN 0.139 nan 8.360 nan 0.000 0.442 283 L N 3.952 125.078 121.223 -0.162 0.000 2.318 283 L HA 0.490 4.825 4.340 -0.008 0.000 0.277 283 L C -1.439 175.392 176.870 -0.064 0.000 1.008 283 L CA -0.537 54.242 54.840 -0.102 0.000 0.846 283 L CB 0.749 42.754 42.059 -0.089 0.000 1.220 283 L HN 0.498 nan 8.230 nan 0.000 0.423 284 N N 1.542 120.218 118.700 -0.039 0.000 2.408 284 N HA 0.173 4.908 4.740 -0.008 0.000 0.257 284 N C 1.094 176.602 175.510 -0.003 0.000 1.064 284 N CA -0.122 52.918 53.050 -0.017 0.000 0.952 284 N CB 1.466 39.946 38.487 -0.011 0.000 1.093 284 N HN 0.567 nan 8.380 nan 0.000 0.490 285 T N -0.902 113.654 114.554 0.003 0.000 3.067 285 T HA 0.129 4.474 4.350 -0.008 0.000 0.261 285 T C 0.635 175.354 174.700 0.033 0.000 1.110 285 T CA 0.688 62.793 62.100 0.008 0.000 1.113 285 T CB -0.078 68.789 68.868 -0.000 0.000 0.917 285 T HN 0.385 nan 8.240 nan 0.000 0.499 286 I N 3.323 123.925 120.570 0.054 0.000 2.623 286 I HA 0.332 4.497 4.170 -0.008 0.000 0.275 286 I C -2.485 173.717 176.117 0.141 0.000 1.108 286 I CA -2.514 58.849 61.300 0.106 0.000 1.120 286 I CB 2.150 40.162 38.000 0.020 0.000 1.249 286 I HN 0.039 nan 8.210 nan 0.000 0.500 287 P HA 0.160 nan 4.420 nan 0.000 0.293 287 P C 0.239 177.491 177.300 -0.081 0.000 1.298 287 P CA -0.095 62.939 63.100 -0.110 0.000 0.757 287 P CB 0.731 32.210 31.700 -0.368 0.000 1.262 288 G N -1.171 107.549 108.800 -0.133 0.000 2.444 288 G HA2 0.388 4.343 3.960 -0.008 0.000 0.268 288 G HA3 0.388 4.343 3.960 -0.008 0.000 0.268 288 G C -0.784 173.954 174.900 -0.269 0.000 1.203 288 G CA -0.370 44.693 45.100 -0.062 0.000 0.835 288 G HN 0.319 nan 8.290 nan 0.000 0.543 289 F N 0.176 120.240 119.950 0.190 0.000 2.791 289 F HA 0.263 4.783 4.527 -0.011 0.000 0.316 289 F C 1.343 177.236 175.800 0.155 0.000 1.134 289 F CA -0.421 57.727 58.000 0.246 0.000 1.222 289 F CB 0.735 39.924 39.000 0.315 0.000 1.034 289 F HN 0.255 nan 8.300 nan 0.000 0.516 290 T N 3.390 118.038 114.554 0.158 0.000 2.899 290 T HA 0.092 4.437 4.350 -0.008 0.000 0.295 290 T C -1.202 173.482 174.700 -0.026 0.000 1.033 290 T CA -0.978 61.173 62.100 0.086 0.000 1.084 290 T CB 1.153 70.050 68.868 0.048 0.000 0.979 290 T HN -0.021 nan 8.240 nan 0.000 0.532 291 P HA -0.068 nan 4.420 nan 0.000 0.223 291 P C 1.062 178.306 177.300 -0.094 0.000 1.144 291 P CA 1.100 64.146 63.100 -0.089 0.000 0.783 291 P CB 0.228 31.935 31.700 0.012 0.000 0.771 292 T N -1.439 113.082 114.554 -0.056 0.000 3.069 292 T HA 0.139 4.484 4.350 -0.008 0.000 0.252 292 T C 0.612 175.276 174.700 -0.060 0.000 1.053 292 T CA -0.052 62.017 62.100 -0.052 0.000 0.964 292 T CB -0.333 68.517 68.868 -0.029 0.000 1.005 292 T HN 0.013 nan 8.240 nan 0.000 0.532 293 S N 1.951 117.611 115.700 -0.066 0.000 2.562 293 S HA 0.153 4.618 4.470 -0.008 0.000 0.281 293 S C 1.176 175.738 174.600 -0.064 0.000 1.333 293 S CA -0.385 57.780 58.200 -0.058 0.000 1.052 293 S CB 0.979 64.145 63.200 -0.056 0.000 0.884 293 S HN 0.361 nan 8.310 nan 0.000 0.506 294 M N 3.531 123.106 119.600 -0.043 0.000 2.080 294 M HA -0.149 4.326 4.480 -0.008 0.000 0.260 294 M C 1.630 177.916 176.300 -0.024 0.000 1.068 294 M CA 1.836 57.112 55.300 -0.040 0.000 1.109 294 M CB -0.793 31.791 32.600 -0.026 0.000 1.342 294 M HN 0.835 nan 8.290 nan 0.000 0.405 295 Y N 1.270 121.512 120.300 -0.097 0.000 2.030 295 Y HA -0.212 4.335 4.550 -0.005 0.000 0.274 295 Y C -0.818 175.112 175.900 0.051 0.000 1.153 295 Y CA 2.892 60.969 58.100 -0.037 0.000 1.115 295 Y CB -1.674 36.720 38.460 -0.111 0.000 0.969 295 Y HN 0.268 nan 8.280 nan 0.000 0.488 296 P HA -0.177 nan 4.420 nan 0.000 0.217 296 P C 1.020 178.264 177.300 -0.093 0.000 1.150 296 P CA 1.964 65.043 63.100 -0.035 0.000 0.832 296 P CB -0.175 31.389 31.700 -0.226 0.000 0.787 297 R N -1.032 119.391 120.500 -0.128 0.000 2.096 297 R HA -0.067 4.268 4.340 -0.008 0.000 0.235 297 R C 2.424 178.647 176.300 -0.129 0.000 1.127 297 R CA 0.844 56.873 56.100 -0.118 0.000 0.968 297 R CB -0.913 29.321 30.300 -0.110 0.000 0.861 297 R HN 0.134 nan 8.270 nan 0.000 0.440 298 L N -0.429 120.683 121.223 -0.186 0.000 2.017 298 L HA -0.136 4.199 4.340 -0.008 0.000 0.208 298 L C 1.959 178.619 176.870 -0.350 0.000 1.073 298 L CA 1.690 56.360 54.840 -0.285 0.000 0.745 298 L CB -0.669 41.164 42.059 -0.377 0.000 0.894 298 L HN 0.044 nan 8.230 nan 0.000 0.432 299 F N 0.006 119.816 119.950 -0.234 0.000 2.293 299 F HA -0.125 4.396 4.527 -0.011 0.000 0.300 299 F C 2.449 178.187 175.800 -0.103 0.000 1.086 299 F CA 0.904 58.791 58.000 -0.189 0.000 1.375 299 F CB -0.323 38.522 39.000 -0.259 0.000 1.045 299 F HN 0.230 nan 8.300 nan 0.000 0.516 300 E N -0.277 119.954 120.200 0.052 0.000 2.072 300 E HA -0.167 4.178 4.350 -0.008 0.000 0.191 300 E C 2.373 178.970 176.600 -0.006 0.000 0.985 300 E CA 0.957 57.375 56.400 0.030 0.000 0.801 300 E CB -0.280 29.417 29.700 -0.006 0.000 0.750 300 E HN 0.335 nan 8.360 nan 0.000 0.452 301 A N 0.883 123.672 122.820 -0.052 0.000 2.067 301 A HA -0.044 4.271 4.320 -0.008 0.000 0.219 301 A C 2.219 179.767 177.584 -0.060 0.000 1.158 301 A CA 1.342 53.340 52.037 -0.064 0.000 0.661 301 A CB -0.502 18.441 19.000 -0.095 0.000 0.801 301 A HN 0.317 nan 8.150 nan 0.000 0.452 302 G N -1.941 106.822 108.800 -0.061 0.000 2.920 302 G HA2 0.365 4.320 3.960 -0.008 0.000 0.208 302 G HA3 0.365 4.320 3.960 -0.008 0.000 0.208 302 G C 1.070 175.988 174.900 0.029 0.000 1.159 302 G CA 0.479 45.557 45.100 -0.036 0.000 0.784 302 G HN 1.592 nan 8.290 nan 0.000 0.535 303 G N -1.428 107.391 108.800 0.032 0.000 2.141 303 G HA2 -0.196 3.759 3.960 -0.008 0.000 0.231 303 G HA3 -0.196 3.759 3.960 -0.008 0.000 0.231 303 G C -0.013 174.922 174.900 0.058 0.000 0.984 303 G CA 0.040 45.163 45.100 0.037 0.000 0.660 303 G HN 0.772 nan 8.290 nan 0.000 0.525 304 V N 1.264 121.234 119.914 0.093 0.000 2.334 304 V HA 0.763 4.878 4.120 -0.008 0.000 0.281 304 V C 0.886 177.035 176.094 0.091 0.000 1.016 304 V CA -0.516 61.839 62.300 0.091 0.000 0.832 304 V CB 1.126 33.017 31.823 0.113 0.000 0.999 304 V HN 1.126 nan 8.190 nan 0.000 0.439 305 A N 3.637 126.497 122.820 0.067 0.000 2.498 305 A HA 0.228 4.543 4.320 -0.008 0.000 0.239 305 A C 0.858 178.517 177.584 0.125 0.000 1.068 305 A CA 0.061 52.144 52.037 0.077 0.000 0.766 305 A CB -0.082 18.947 19.000 0.048 0.000 1.003 305 A HN 0.850 nan 8.150 nan 0.000 0.497 306 Y N 3.708 123.992 120.300 -0.027 0.000 2.102 306 Y HA -0.147 4.397 4.550 -0.010 0.000 0.280 306 Y C -0.842 175.073 175.900 0.025 0.000 1.178 306 Y CA 2.572 60.660 58.100 -0.020 0.000 1.146 306 Y CB -1.512 36.851 38.460 -0.161 0.000 0.968 306 Y HN 0.534 nan 8.280 nan 0.000 0.504 307 P HA -0.173 nan 4.420 nan 0.000 0.215 307 P C 1.488 178.742 177.300 -0.078 0.000 1.153 307 P CA 2.355 65.395 63.100 -0.099 0.000 0.853 307 P CB -0.035 31.650 31.700 -0.024 0.000 0.788 308 E N -0.403 119.780 120.200 -0.027 0.000 2.150 308 E HA -0.166 4.179 4.350 -0.008 0.000 0.193 308 E C 1.758 178.353 176.600 -0.007 0.000 0.985 308 E CA 0.743 57.133 56.400 -0.018 0.000 0.814 308 E CB -1.206 28.493 29.700 -0.002 0.000 0.752 308 E HN 0.001 nan 8.360 nan 0.000 0.466 309 L N 0.168 121.399 121.223 0.012 0.000 2.017 309 L HA -0.081 4.254 4.340 -0.008 0.000 0.208 309 L C 2.068 178.965 176.870 0.045 0.000 1.073 309 L CA 1.718 56.571 54.840 0.021 0.000 0.745 309 L CB -0.546 41.598 42.059 0.142 0.000 0.894 309 L HN 0.282 nan 8.230 nan 0.000 0.432 310 L N -0.566 120.662 121.223 0.009 0.000 2.093 310 L HA -0.152 4.183 4.340 -0.008 0.000 0.208 310 L C 2.812 179.754 176.870 0.121 0.000 1.085 310 L CA 1.122 55.983 54.840 0.035 0.000 0.755 310 L CB -0.782 41.242 42.059 -0.060 0.000 0.904 310 L HN 0.354 nan 8.230 nan 0.000 0.435 311 R N 1.307 121.863 120.500 0.094 0.000 2.083 311 R HA -0.176 4.159 4.340 -0.008 0.000 0.237 311 R C 2.269 178.676 176.300 0.178 0.000 1.137 311 R CA 1.740 57.959 56.100 0.198 0.000 0.951 311 R CB -0.277 30.035 30.300 0.020 0.000 0.851 311 R HN 0.332 nan 8.270 nan 0.000 0.434 312 R N 0.060 120.599 120.500 0.065 0.000 2.075 312 R HA 0.002 4.337 4.340 -0.008 0.000 0.232 312 R C 2.576 178.870 176.300 -0.010 0.000 1.126 312 R CA 1.323 57.435 56.100 0.020 0.000 0.963 312 R CB -0.353 29.932 30.300 -0.025 0.000 0.858 312 R HN 0.208 nan 8.270 nan 0.000 0.435 313 L N 0.223 121.431 121.223 -0.025 0.000 2.012 313 L HA -0.203 4.132 4.340 -0.008 0.000 0.210 313 L C 2.376 179.145 176.870 -0.169 0.000 1.073 313 L CA 1.150 55.925 54.840 -0.108 0.000 0.748 313 L CB -0.506 41.455 42.059 -0.163 0.000 0.891 313 L HN 0.048 nan 8.230 nan 0.000 0.431 314 V N -0.232 119.608 119.914 -0.123 0.000 2.295 314 V HA -0.293 3.822 4.120 -0.008 0.000 0.246 314 V C 2.341 178.332 176.094 -0.172 0.000 1.049 314 V CA 1.911 64.101 62.300 -0.184 0.000 1.024 314 V CB -0.458 31.225 31.823 -0.233 0.000 0.648 314 V HN 0.453 nan 8.190 nan 0.000 0.447 315 E N -0.305 119.842 120.200 -0.088 0.000 2.152 315 E HA -0.120 4.225 4.350 -0.008 0.000 0.192 315 E C 2.221 178.780 176.600 -0.067 0.000 0.983 315 E CA 0.790 57.151 56.400 -0.065 0.000 0.818 315 E CB -0.120 29.586 29.700 0.010 0.000 0.758 315 E HN 0.507 nan 8.360 nan 0.000 0.467 316 L N 0.401 121.582 121.223 -0.069 0.000 2.131 316 L HA -0.164 4.171 4.340 -0.008 0.000 0.210 316 L C 2.475 179.283 176.870 -0.103 0.000 1.092 316 L CA 0.797 55.598 54.840 -0.065 0.000 0.759 316 L CB -0.366 41.661 42.059 -0.053 0.000 0.903 316 L HN 0.161 nan 8.230 nan 0.000 0.435 317 A N -0.099 122.635 122.820 -0.145 0.000 2.019 317 A HA -0.130 4.185 4.320 -0.008 0.000 0.219 317 A C 2.135 179.629 177.584 -0.151 0.000 1.164 317 A CA 1.254 53.180 52.037 -0.186 0.000 0.644 317 A CB -0.487 18.393 19.000 -0.199 0.000 0.805 317 A HN 0.423 nan 8.150 nan 0.000 0.449 318 L N -1.534 119.621 121.223 -0.112 0.000 2.418 318 L HA 0.061 4.396 4.340 -0.008 0.000 0.218 318 L C 0.807 177.636 176.870 -0.067 0.000 1.125 318 L CA 0.367 55.157 54.840 -0.084 0.000 0.835 318 L CB -0.653 41.362 42.059 -0.074 0.000 0.953 318 L HN 0.343 nan 8.230 nan 0.000 0.454 319 T N 0.000 114.514 114.554 -0.066 0.000 3.816 319 T HA 0.000 4.345 4.350 -0.008 0.000 0.228 319 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 319 T CB 0.000 68.839 68.868 -0.048 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658