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 1as8_1_C DATA FIRST_RESID 4 DATA SEQUENCE ATAAEIAALP RQKVELVDPP FVHAHSQVAE GGPKVVEFTM VIEEKKIVID DATA SEQUENCE DAGTEVHAMA FNGTVPGPLM VVHQDDYLEL TLINPETNTL MHNIDFHAAT DATA SEQUENCE GALGGGGLTE INPGEKTILR FKATKPGVFV YHCAPPGMVP WHVVSGMNGA DATA SEQUENCE IMVLPREGLH DGKGKALTYD KIYYVGEQDF YVPRDENGKY KKYEAPGDAY DATA SEQUENCE EDTVKVMRTL TPTHVVFNGA VGALTGDKAM TAAVGEKVLI VHSQANRDTR DATA SEQUENCE PHLIGGHGDY VWATGKFNTP PDVDQETWFI PGGAAGAAFY TFQQPGIYAY DATA SEQUENCE VNHNLIEAFE LGAAAHFKVT GEWNDDLMTS VLAPSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.600 177.584 0.026 0.000 1.274 4 A CA 0.000 52.070 52.037 0.054 0.000 0.836 4 A CB 0.000 19.022 19.000 0.037 0.000 0.831 5 T N 0.812 115.370 114.554 0.006 0.000 2.868 5 T HA 0.049 nan 4.350 nan 0.000 0.292 5 T C 1.036 175.716 174.700 -0.033 0.000 1.028 5 T CA -1.204 60.890 62.100 -0.009 0.000 1.059 5 T CB 1.918 70.779 68.868 -0.011 0.000 0.991 5 T HN -0.038 8.375 8.240 0.007 -0.169 0.531 6 A N 1.675 124.473 122.820 -0.037 0.000 1.940 6 A HA -0.205 nan 4.320 nan 0.000 0.219 6 A C 2.150 179.693 177.584 -0.069 0.000 1.176 6 A CA 2.844 54.845 52.037 -0.059 0.000 0.631 6 A CB -0.640 18.335 19.000 -0.043 0.000 0.814 6 A HN 0.541 8.676 8.150 -0.024 0.000 0.446 7 A N -1.507 121.283 122.820 -0.049 0.000 1.877 7 A HA -0.238 nan 4.320 nan 0.000 0.216 7 A C 2.454 180.004 177.584 -0.055 0.000 1.186 7 A CA 2.790 54.799 52.037 -0.046 0.000 0.620 7 A CB -0.781 18.200 19.000 -0.031 0.000 0.822 7 A HN 0.220 8.328 8.150 -0.037 0.019 0.443 8 E N -1.433 118.738 120.200 -0.050 0.000 2.118 8 E HA -0.349 nan 4.350 nan 0.000 0.195 8 E C 2.105 178.655 176.600 -0.084 0.000 0.992 8 E CA 2.442 58.814 56.400 -0.047 0.000 0.804 8 E CB -0.033 29.654 29.700 -0.023 0.000 0.741 8 E HN -0.627 7.709 8.360 -0.040 0.000 0.458 9 I N -1.729 118.756 120.570 -0.141 0.000 2.353 9 I HA -0.293 nan 4.170 nan 0.000 0.248 9 I C 1.816 177.807 176.117 -0.209 0.000 1.119 9 I CA 2.790 63.929 61.300 -0.270 0.000 1.417 9 I CB 0.061 37.798 38.000 -0.439 0.000 1.078 9 I HN -0.578 7.547 8.210 -0.122 0.011 0.421 10 A N 0.564 123.297 122.820 -0.145 0.000 2.019 10 A HA -0.240 nan 4.320 nan 0.000 0.219 10 A C 1.053 178.585 177.584 -0.087 0.000 1.164 10 A CA 2.750 54.721 52.037 -0.109 0.000 0.644 10 A CB -0.695 18.257 19.000 -0.080 0.000 0.805 10 A HN 0.037 8.031 8.150 -0.129 0.078 0.449 11 A N -3.025 119.749 122.820 -0.077 0.000 2.208 11 A HA -0.025 nan 4.320 nan 0.000 0.209 11 A C -0.125 177.426 177.584 -0.055 0.000 1.161 11 A CA 0.027 52.030 52.037 -0.057 0.000 0.782 11 A CB 0.420 19.394 19.000 -0.043 0.000 0.816 11 A HN -0.378 7.593 8.150 -0.082 0.130 0.477 12 L N 1.463 122.643 121.223 -0.073 0.000 2.426 12 L HA 0.081 nan 4.340 nan 0.000 0.271 12 L C -1.648 175.190 176.870 -0.053 0.000 1.169 12 L CA -1.820 52.986 54.840 -0.056 0.000 0.836 12 L CB 0.104 42.122 42.059 -0.068 0.000 1.112 12 L HN -0.394 7.578 8.230 -0.100 0.198 0.465 13 P HA 0.163 nan 4.420 nan 0.000 0.272 13 P C -1.789 175.483 177.300 -0.047 0.000 1.223 13 P CA -0.320 62.756 63.100 -0.040 0.000 0.784 13 P CB 0.896 32.577 31.700 -0.032 0.000 0.923 14 R N -1.207 119.258 120.500 -0.057 0.000 2.803 14 R HA 0.653 nan 4.340 nan 0.000 0.276 14 R C -1.276 174.975 176.300 -0.082 0.000 0.978 14 R CA -1.311 54.746 56.100 -0.072 0.000 0.939 14 R CB 2.418 32.671 30.300 -0.078 0.000 1.179 14 R HN 0.092 8.329 8.270 -0.055 0.000 0.472 15 Q N 2.785 122.518 119.800 -0.112 0.000 2.285 15 Q HA 0.239 nan 4.340 nan 0.000 0.269 15 Q C -2.036 173.838 176.000 -0.211 0.000 1.030 15 Q CA -0.821 54.901 55.803 -0.134 0.000 0.788 15 Q CB 4.011 32.680 28.738 -0.115 0.000 1.266 15 Q HN 0.617 8.812 8.270 -0.125 0.000 0.438 16 K N 5.480 125.766 120.400 -0.191 0.000 2.227 16 K HA 0.443 nan 4.320 nan 0.000 0.280 16 K C -0.887 175.541 176.600 -0.286 0.000 1.041 16 K CA -0.173 55.972 56.287 -0.236 0.000 0.905 16 K CB 0.960 33.371 32.500 -0.148 0.000 1.068 16 K HN 0.316 8.481 8.250 -0.141 0.000 0.470 17 V N 5.776 125.411 119.914 -0.465 0.000 2.513 17 V HA 0.144 nan 4.120 nan 0.000 0.299 17 V C -0.947 174.992 176.094 -0.260 0.000 1.035 17 V CA -1.594 60.421 62.300 -0.476 0.000 0.889 17 V CB 1.887 33.163 31.823 -0.912 0.000 0.988 17 V HN 0.395 8.227 8.190 -0.598 0.000 0.440 18 E N 6.529 126.653 120.200 -0.127 0.000 2.130 18 E HA 0.072 nan 4.350 nan 0.000 0.284 18 E C -1.338 175.322 176.600 0.099 0.000 1.018 18 E CA -1.282 55.118 56.400 0.001 0.000 0.817 18 E CB -0.096 29.615 29.700 0.017 0.000 1.078 18 E HN 0.197 8.473 8.360 -0.139 0.000 0.396 19 L N 2.185 123.507 121.223 0.165 0.000 2.399 19 L HA 0.253 nan 4.340 nan 0.000 0.266 19 L C -0.200 176.802 176.870 0.219 0.000 1.114 19 L CA -0.466 54.528 54.840 0.256 0.000 0.804 19 L CB 0.904 43.117 42.059 0.257 0.000 1.146 19 L HN 0.187 8.500 8.230 0.139 0.000 0.451 20 V N -3.436 116.631 119.914 0.254 0.000 2.914 20 V HA 0.341 nan 4.120 nan 0.000 0.314 20 V C -1.059 175.179 176.094 0.239 0.000 1.084 20 V CA -2.496 59.935 62.300 0.219 0.000 0.963 20 V CB 2.618 34.572 31.823 0.219 0.000 1.025 20 V HN 0.189 8.561 8.190 0.303 0.000 0.432 21 D N 2.257 122.791 120.400 0.224 0.000 2.424 21 D HA 0.249 nan 4.640 nan 0.000 0.244 21 D C -1.297 175.165 176.300 0.269 0.000 1.134 21 D CA -1.752 52.381 54.000 0.222 0.000 0.881 21 D CB 0.130 41.043 40.800 0.187 0.000 1.191 21 D HN 0.168 8.654 8.370 0.193 0.000 0.445 22 P HA 0.097 nan 4.420 nan 0.000 0.270 22 P C -1.304 175.998 177.300 0.002 0.000 1.223 22 P CA -1.254 61.912 63.100 0.110 0.000 0.785 22 P CB -0.207 31.494 31.700 0.001 0.000 0.923 23 P HA 0.059 nan 4.420 nan 0.000 0.245 23 P C -0.584 176.621 177.300 -0.158 0.000 1.212 23 P CA 0.599 63.559 63.100 -0.233 0.000 0.774 23 P CB 0.221 31.698 31.700 -0.371 0.000 0.999 24 F N 0.289 120.336 119.950 0.162 0.000 2.406 24 F HA -0.035 nan 4.527 nan 0.000 0.327 24 F C -0.846 175.018 175.800 0.107 0.000 1.153 24 F CA 1.334 59.400 58.000 0.110 0.000 1.218 24 F CB 0.663 39.718 39.000 0.092 0.000 1.215 24 F HN -0.798 7.417 8.300 -0.016 0.076 0.570 25 V N 0.149 120.213 119.914 0.249 0.000 2.604 25 V HA 0.286 nan 4.120 nan 0.000 0.305 25 V C -0.577 175.617 176.094 0.166 0.000 1.043 25 V CA -2.249 60.128 62.300 0.128 0.000 0.888 25 V CB 1.364 33.204 31.823 0.029 0.000 0.995 25 V HN 0.155 8.506 8.190 0.269 0.000 0.429 26 H N 2.174 121.386 119.070 0.237 0.000 2.913 26 H HA -0.013 nan 4.556 nan 0.000 0.365 26 H C -0.197 175.315 175.328 0.307 0.000 1.155 26 H CA -0.301 55.889 56.048 0.236 0.000 1.417 26 H CB 0.673 30.580 29.762 0.240 0.000 1.386 26 H HN 0.368 8.695 8.280 0.078 0.000 0.614 27 A N 3.209 126.293 122.820 0.441 0.000 2.531 27 A HA -0.205 nan 4.320 nan 0.000 0.236 27 A C -1.782 176.086 177.584 0.473 0.000 1.062 27 A CA 1.275 53.491 52.037 0.297 0.000 0.760 27 A CB 0.460 19.558 19.000 0.163 0.000 0.995 27 A HN -0.091 8.399 8.150 0.376 -0.115 0.501 28 H N -1.302 117.881 119.070 0.188 0.000 2.950 28 H HA 0.266 nan 4.556 nan 0.000 0.307 28 H C -2.288 173.120 175.328 0.133 0.000 1.403 28 H CA -1.618 54.551 56.048 0.201 0.000 1.145 28 H CB 0.975 30.853 29.762 0.192 0.000 1.844 28 H HN -0.280 7.911 8.280 -0.147 0.000 0.515 29 S N -0.474 115.374 115.700 0.246 0.000 2.472 29 S HA 0.173 nan 4.470 nan 0.000 0.303 29 S C 0.251 175.028 174.600 0.295 0.000 1.099 29 S CA -2.055 56.214 58.200 0.115 0.000 1.077 29 S CB 1.098 64.328 63.200 0.050 0.000 1.031 29 S HN 0.127 8.683 8.310 0.410 0.000 0.487 30 Q N 3.900 123.764 119.800 0.106 0.000 2.046 30 Q HA -0.192 nan 4.340 nan 0.000 0.200 30 Q C 0.031 176.175 176.000 0.240 0.000 0.975 30 Q CA 2.355 58.225 55.803 0.112 0.000 0.836 30 Q CB 0.401 29.027 28.738 -0.187 0.000 0.896 30 Q HN 0.468 8.709 8.270 -0.048 0.000 0.428 31 V N -0.687 119.276 119.914 0.082 0.000 2.465 31 V HA 0.133 nan 4.120 nan 0.000 0.279 31 V C -1.387 174.632 176.094 -0.125 0.000 1.045 31 V CA -1.602 60.713 62.300 0.026 0.000 0.938 31 V CB 0.415 32.223 31.823 -0.026 0.000 0.986 31 V HN -0.379 7.817 8.190 0.009 0.000 0.467 32 A N 6.903 129.498 122.820 -0.374 0.000 2.520 32 A HA -0.030 nan 4.320 nan 0.000 0.245 32 A C -0.686 176.723 177.584 -0.291 0.000 1.072 32 A CA 0.649 52.256 52.037 -0.716 0.000 0.761 32 A CB 0.457 19.097 19.000 -0.601 0.000 1.004 32 A HN 0.560 8.483 8.150 -0.184 0.116 0.499 33 E N 4.657 124.717 120.200 -0.233 0.000 2.042 33 E HA 0.048 nan 4.350 nan 0.000 0.260 33 E C -0.011 176.531 176.600 -0.097 0.000 0.975 33 E CA -0.506 55.823 56.400 -0.119 0.000 0.799 33 E CB -0.358 29.294 29.700 -0.079 0.000 1.131 33 E HN 0.353 8.544 8.360 -0.282 0.000 0.423 34 G N 4.111 112.862 108.800 -0.082 0.000 2.498 34 G HA2 -0.213 nan 3.960 nan 0.000 0.651 34 G HA3 -0.213 nan 3.960 nan 0.000 0.651 34 G C -1.302 173.568 174.900 -0.051 0.000 1.284 34 G CA -0.932 44.135 45.100 -0.056 0.000 0.950 34 G HN -0.605 7.634 8.290 -0.084 0.000 0.511 35 G N -1.876 106.907 108.800 -0.029 0.000 2.563 35 G HA2 0.169 nan 3.960 nan 0.000 0.283 35 G HA3 0.169 nan 3.960 nan 0.000 0.283 35 G C -1.422 173.477 174.900 -0.001 0.000 1.309 35 G CA -1.472 43.621 45.100 -0.012 0.000 1.022 35 G HN -0.047 8.228 8.290 -0.025 0.000 0.501 36 P HA -0.109 nan 4.420 nan 0.000 0.266 36 P C -1.890 175.448 177.300 0.063 0.000 1.193 36 P CA 0.458 63.592 63.100 0.056 0.000 0.770 36 P CB 0.402 32.162 31.700 0.099 0.000 0.836 37 K N -2.847 117.600 120.400 0.077 0.000 2.509 37 K HA 0.512 nan 4.320 nan 0.000 0.266 37 K C -1.415 175.237 176.600 0.086 0.000 0.987 37 K CA -1.873 54.444 56.287 0.051 0.000 0.868 37 K CB 2.606 35.110 32.500 0.007 0.000 1.421 37 K HN -0.272 8.242 8.250 0.084 -0.214 0.444 38 V N 1.117 121.045 119.914 0.024 0.000 2.320 38 V HA 0.452 nan 4.120 nan 0.000 0.265 38 V C -0.800 175.258 176.094 -0.059 0.000 1.048 38 V CA -0.555 61.750 62.300 0.008 0.000 0.865 38 V CB -0.876 30.907 31.823 -0.067 0.000 1.043 38 V HN 0.385 8.566 8.190 -0.014 0.000 0.474 39 V N 9.231 129.104 119.914 -0.068 0.000 2.432 39 V HA 0.204 nan 4.120 nan 0.000 0.271 39 V C -0.740 175.184 176.094 -0.282 0.000 1.046 39 V CA -0.904 61.285 62.300 -0.186 0.000 0.945 39 V CB -0.539 31.220 31.823 -0.107 0.000 0.992 39 V HN 0.855 9.032 8.190 -0.021 0.000 0.471 40 E N 6.714 126.668 120.200 -0.410 0.000 2.191 40 E HA 0.772 nan 4.350 nan 0.000 0.278 40 E C -1.352 174.883 176.600 -0.608 0.000 0.972 40 E CA -1.601 54.594 56.400 -0.342 0.000 0.804 40 E CB 2.190 31.766 29.700 -0.207 0.000 1.110 40 E HN 0.741 8.856 8.360 -0.408 0.000 0.394 41 F N 2.017 121.927 119.950 -0.067 0.000 2.613 41 F HA 0.501 nan 4.527 nan 0.000 0.314 41 F C -1.392 174.396 175.800 -0.019 0.000 1.075 41 F CA -0.925 57.045 58.000 -0.050 0.000 0.945 41 F CB 4.473 43.448 39.000 -0.042 0.000 1.310 41 F HN 0.580 8.921 8.300 0.069 0.000 0.467 42 T N 3.207 117.878 114.554 0.194 0.000 2.916 42 T HA 0.739 nan 4.350 nan 0.000 0.298 42 T C -1.608 173.172 174.700 0.134 0.000 1.031 42 T CA -0.435 61.742 62.100 0.127 0.000 0.993 42 T CB 1.875 70.788 68.868 0.076 0.000 1.045 42 T HN 0.376 8.747 8.240 0.218 0.000 0.454 43 M N 4.027 123.701 119.600 0.124 0.000 2.378 43 M HA 0.475 nan 4.480 nan 0.000 0.289 43 M C -2.175 174.207 176.300 0.136 0.000 1.136 43 M CA -0.584 54.800 55.300 0.140 0.000 0.917 43 M CB 4.921 37.616 32.600 0.159 0.000 1.669 43 M HN 0.432 8.792 8.290 0.118 0.000 0.461 44 V N 2.253 122.236 119.914 0.115 0.000 2.435 44 V HA 0.677 nan 4.120 nan 0.000 0.290 44 V C -0.695 175.433 176.094 0.057 0.000 1.030 44 V CA -1.159 61.189 62.300 0.081 0.000 0.881 44 V CB 1.223 33.081 31.823 0.059 0.000 0.983 44 V HN 0.610 8.868 8.190 0.114 0.000 0.445 45 I N 7.989 128.559 120.570 -0.001 0.000 2.395 45 I HA 0.090 nan 4.170 nan 0.000 0.289 45 I C -0.730 175.317 176.117 -0.117 0.000 1.023 45 I CA 0.434 61.648 61.300 -0.143 0.000 1.350 45 I CB 0.611 38.428 38.000 -0.304 0.000 1.409 45 I HN 0.523 8.743 8.210 0.018 0.000 0.507 46 E N 7.109 127.226 120.200 -0.139 0.000 2.216 46 E HA 0.309 nan 4.350 nan 0.000 0.260 46 E C -1.565 174.968 176.600 -0.112 0.000 0.880 46 E CA -1.748 54.601 56.400 -0.084 0.000 0.765 46 E CB 2.452 32.129 29.700 -0.038 0.000 1.174 46 E HN 0.655 8.909 8.360 -0.177 0.000 0.417 47 E N 5.971 126.128 120.200 -0.072 0.000 2.152 47 E HA 0.218 nan 4.350 nan 0.000 0.285 47 E C -1.174 175.410 176.600 -0.028 0.000 1.043 47 E CA 0.221 56.589 56.400 -0.054 0.000 0.839 47 E CB 0.830 30.537 29.700 0.012 0.000 1.069 47 E HN -0.260 8.314 8.360 -0.037 -0.236 0.399 48 K N 3.204 123.572 120.400 -0.052 0.000 2.556 48 K HA 0.314 nan 4.320 nan 0.000 0.274 48 K C -1.925 174.593 176.600 -0.136 0.000 0.966 48 K CA -1.700 54.547 56.287 -0.066 0.000 0.865 48 K CB 2.996 35.460 32.500 -0.059 0.000 1.444 48 K HN 0.352 8.558 8.250 -0.073 0.000 0.433 49 K N 2.215 122.505 120.400 -0.184 0.000 2.249 49 K HA 0.491 nan 4.320 nan 0.000 0.280 49 K C -0.533 175.950 176.600 -0.196 0.000 1.033 49 K CA 0.110 56.224 56.287 -0.287 0.000 0.946 49 K CB 0.802 33.123 32.500 -0.298 0.000 1.005 49 K HN 0.115 8.283 8.250 -0.136 0.000 0.469 50 I N -1.389 119.047 120.570 -0.224 0.000 2.689 50 I HA 0.459 nan 4.170 nan 0.000 0.299 50 I C -1.656 174.328 176.117 -0.222 0.000 1.059 50 I CA -1.457 59.732 61.300 -0.186 0.000 1.055 50 I CB 3.239 41.138 38.000 -0.169 0.000 1.243 50 I HN 0.230 8.270 8.210 -0.283 0.000 0.425 51 V N 5.837 125.649 119.914 -0.171 0.000 2.350 51 V HA 0.409 nan 4.120 nan 0.000 0.276 51 V C 0.093 176.078 176.094 -0.181 0.000 1.028 51 V CA -0.112 62.084 62.300 -0.173 0.000 0.860 51 V CB 0.429 32.185 31.823 -0.112 0.000 0.990 51 V HN 0.109 8.220 8.190 -0.131 0.000 0.453 52 I N 1.103 121.511 120.570 -0.269 0.000 3.603 52 I HA 0.341 nan 4.170 nan 0.000 0.297 52 I C -0.981 175.038 176.117 -0.163 0.000 1.269 52 I CA 0.388 61.533 61.300 -0.259 0.000 1.361 52 I CB 0.830 38.548 38.000 -0.470 0.000 1.063 52 I HN 0.703 8.714 8.210 -0.330 0.000 0.448 53 D N -1.520 118.804 120.400 -0.127 0.000 2.615 53 D HA 0.098 nan 4.640 nan 0.000 0.267 53 D C -1.182 175.109 176.300 -0.015 0.000 1.236 53 D CA -1.013 52.968 54.000 -0.031 0.000 0.839 53 D CB 1.922 42.756 40.800 0.055 0.000 1.380 53 D HN -0.733 7.547 8.370 -0.149 0.000 0.433 54 D N -2.940 117.467 120.400 0.011 0.000 2.378 54 D HA -0.161 nan 4.640 nan 0.000 0.227 54 D C -0.205 176.109 176.300 0.022 0.000 1.012 54 D CA 0.903 54.910 54.000 0.011 0.000 0.905 54 D CB -1.040 39.768 40.800 0.014 0.000 0.895 54 D HN 0.329 8.711 8.370 0.020 0.000 0.532 55 A N -2.089 120.755 122.820 0.040 0.000 2.308 55 A HA 0.160 nan 4.320 nan 0.000 0.217 55 A C 0.541 178.150 177.584 0.043 0.000 1.216 55 A CA -0.288 51.785 52.037 0.060 0.000 0.864 55 A CB 0.099 19.171 19.000 0.120 0.000 0.902 55 A HN -0.551 7.748 8.150 0.044 -0.123 0.499 56 G N -1.505 107.298 108.800 0.006 0.000 2.147 56 G HA2 -0.372 nan 3.960 nan 0.000 0.244 56 G HA3 -0.372 nan 3.960 nan 0.000 0.244 56 G C -0.505 174.372 174.900 -0.038 0.000 1.005 56 G CA 0.276 45.365 45.100 -0.019 0.000 0.713 56 G HN -0.350 7.789 8.290 -0.003 0.149 0.515 57 T N 2.333 116.851 114.554 -0.061 0.000 2.853 57 T HA -0.121 nan 4.350 nan 0.000 0.298 57 T C -0.678 173.886 174.700 -0.228 0.000 0.978 57 T CA 2.133 64.149 62.100 -0.140 0.000 1.152 57 T CB 0.130 68.809 68.868 -0.315 0.000 0.914 57 T HN -0.489 8.000 8.240 -0.044 -0.276 0.539 58 E N 5.677 125.768 120.200 -0.181 0.000 2.214 58 E HA 0.763 nan 4.350 nan 0.000 0.274 58 E C -1.176 175.273 176.600 -0.251 0.000 0.977 58 E CA -0.755 55.518 56.400 -0.212 0.000 0.827 58 E CB 2.353 31.970 29.700 -0.139 0.000 1.130 58 E HN 0.238 8.535 8.360 -0.104 0.000 0.394 59 V N 1.618 121.324 119.914 -0.347 0.000 2.656 59 V HA 0.275 nan 4.120 nan 0.000 0.307 59 V C -1.183 174.751 176.094 -0.267 0.000 1.051 59 V CA -1.246 60.843 62.300 -0.352 0.000 0.893 59 V CB 3.684 35.046 31.823 -0.767 0.000 0.999 59 V HN 0.546 8.522 8.190 -0.357 0.000 0.426 60 H N 5.894 124.891 119.070 -0.122 0.000 3.014 60 H HA 0.187 nan 4.556 nan 0.000 0.266 60 H C -0.768 174.467 175.328 -0.156 0.000 1.455 60 H CA -0.279 55.712 56.048 -0.096 0.000 1.402 60 H CB -1.082 28.660 29.762 -0.033 0.000 1.626 60 H HN 0.398 8.755 8.280 0.128 0.000 0.520 61 A N 4.566 127.319 122.820 -0.112 0.000 2.386 61 A HA 0.250 nan 4.320 nan 0.000 0.248 61 A C -1.919 175.579 177.584 -0.142 0.000 1.082 61 A CA -0.108 51.867 52.037 -0.103 0.000 0.789 61 A CB 1.488 20.442 19.000 -0.076 0.000 1.025 61 A HN 0.634 8.688 8.150 -0.161 0.000 0.490 62 M N 0.896 120.382 119.600 -0.190 0.000 1.987 62 M HA 0.228 nan 4.480 nan 0.000 0.298 62 M C -1.743 174.379 176.300 -0.296 0.000 0.892 62 M CA -0.631 54.492 55.300 -0.295 0.000 0.885 62 M CB 1.405 33.772 32.600 -0.388 0.000 1.469 62 M HN -0.097 8.105 8.290 -0.146 0.000 0.389 63 A N 2.865 125.541 122.820 -0.239 0.000 2.288 63 A HA 0.594 nan 4.320 nan 0.000 0.320 63 A C -1.582 175.914 177.584 -0.147 0.000 1.217 63 A CA -1.634 50.316 52.037 -0.145 0.000 0.840 63 A CB 2.467 21.446 19.000 -0.035 0.000 1.179 63 A HN 0.812 8.835 8.150 -0.211 0.000 0.504 64 F N 2.899 122.857 119.950 0.013 0.000 2.467 64 F HA -0.102 nan 4.527 nan 0.000 0.362 64 F C 0.425 176.261 175.800 0.061 0.000 1.090 64 F CA 0.891 58.916 58.000 0.042 0.000 1.202 64 F CB 0.116 39.200 39.000 0.140 0.000 1.113 64 F HN 0.419 8.814 8.300 0.159 0.000 0.541 65 N N 4.292 123.128 118.700 0.226 0.000 2.828 65 N HA -0.381 nan 4.740 nan 0.000 0.248 65 N C 0.023 175.602 175.510 0.114 0.000 1.044 65 N CA 1.024 54.171 53.050 0.163 0.000 0.851 65 N CB -0.374 38.227 38.487 0.190 0.000 1.136 65 N HN 0.849 9.247 8.380 0.202 0.102 0.572 66 G N -6.322 102.526 108.800 0.079 0.000 2.179 66 G HA2 -0.429 nan 3.960 nan 0.000 0.260 66 G HA3 -0.429 nan 3.960 nan 0.000 0.260 66 G C -1.398 173.534 174.900 0.053 0.000 0.977 66 G CA 0.618 45.746 45.100 0.046 0.000 0.641 66 G HN -0.263 7.908 8.290 0.069 0.160 0.533 67 T N -4.368 110.239 114.554 0.089 0.000 2.924 67 T HA 0.374 nan 4.350 nan 0.000 0.291 67 T C -2.156 172.599 174.700 0.090 0.000 1.045 67 T CA -2.559 59.591 62.100 0.084 0.000 1.015 67 T CB 2.902 71.831 68.868 0.102 0.000 1.103 67 T HN -0.650 7.619 8.240 0.124 0.046 0.496 68 V N 1.231 121.184 119.914 0.066 0.000 2.409 68 V HA 0.456 nan 4.120 nan 0.000 0.290 68 V C -1.752 174.349 176.094 0.011 0.000 1.017 68 V CA -4.011 58.327 62.300 0.063 0.000 0.841 68 V CB 0.952 32.837 31.823 0.103 0.000 1.003 68 V HN 0.346 8.567 8.190 0.052 0.000 0.426 69 P HA 0.413 nan 4.420 nan 0.000 0.277 69 P C -0.664 176.721 177.300 0.141 0.000 1.271 69 P CA -1.375 61.745 63.100 0.032 0.000 0.795 69 P CB 1.834 33.514 31.700 -0.033 0.000 1.101 70 G N -1.499 107.426 108.800 0.207 0.000 2.667 70 G HA2 0.076 nan 3.960 nan 0.000 0.250 70 G HA3 0.076 nan 3.960 nan 0.000 0.250 70 G C -1.393 173.692 174.900 0.308 0.000 1.212 70 G CA -1.240 44.049 45.100 0.315 0.000 0.874 70 G HN 0.365 8.637 8.290 0.160 0.114 0.561 71 P HA -0.073 nan 4.420 nan 0.000 0.271 71 P C -1.604 175.788 177.300 0.154 0.000 1.218 71 P CA -0.403 62.850 63.100 0.255 0.000 0.780 71 P CB 0.741 32.573 31.700 0.221 0.000 0.901 72 L N 1.665 122.903 121.223 0.025 0.000 2.360 72 L HA 0.117 nan 4.340 nan 0.000 0.276 72 L C -1.284 175.532 176.870 -0.089 0.000 1.121 72 L CA -0.247 54.458 54.840 -0.227 0.000 0.845 72 L CB 1.030 42.849 42.059 -0.401 0.000 1.143 72 L HN 0.251 8.565 8.230 0.140 0.000 0.452 73 M N 6.789 126.305 119.600 -0.141 0.000 2.268 73 M HA 0.265 nan 4.480 nan 0.000 0.344 73 M C -1.811 174.432 176.300 -0.096 0.000 1.106 73 M CA -0.435 54.704 55.300 -0.269 0.000 1.010 73 M CB 1.917 34.019 32.600 -0.831 0.000 1.649 73 M HN -0.312 7.917 8.290 -0.101 0.000 0.443 74 V N 3.601 123.623 119.914 0.180 0.000 2.384 74 V HA 0.780 nan 4.120 nan 0.000 0.287 74 V C -1.118 175.123 176.094 0.244 0.000 1.020 74 V CA -1.096 61.217 62.300 0.022 0.000 0.850 74 V CB 0.379 31.972 31.823 -0.383 0.000 0.987 74 V HN 0.296 9.001 8.190 0.857 0.000 0.436 75 V N 2.057 122.022 119.914 0.085 0.000 3.156 75 V HA 0.802 nan 4.120 nan 0.000 0.310 75 V C -1.819 174.251 176.094 -0.040 0.000 1.234 75 V CA -3.067 59.308 62.300 0.125 0.000 1.065 75 V CB 3.476 35.353 31.823 0.089 0.000 1.088 75 V HN 0.717 8.902 8.190 -0.009 0.000 0.451 76 H N -1.088 118.014 119.070 0.055 0.000 2.616 76 H HA 0.626 nan 4.556 nan 0.000 0.353 76 H C -1.122 174.217 175.328 0.018 0.000 1.170 76 H CA -1.741 54.335 56.048 0.047 0.000 1.212 76 H CB 3.172 32.959 29.762 0.042 0.000 1.653 76 H HN -0.105 8.586 8.280 0.229 -0.273 0.537 77 Q N 0.687 120.566 119.800 0.132 0.000 2.283 77 Q HA -0.522 nan 4.340 nan 0.000 0.301 77 Q C 0.262 176.272 176.000 0.017 0.000 1.063 77 Q CA 2.517 58.361 55.803 0.067 0.000 0.952 77 Q CB 0.283 29.072 28.738 0.085 0.000 1.166 77 Q HN 0.372 8.737 8.270 0.157 0.000 0.381 78 D N 4.324 124.683 120.400 -0.068 0.000 3.006 78 D HA -0.422 nan 4.640 nan 0.000 0.205 78 D C -0.440 175.720 176.300 -0.233 0.000 1.075 78 D CA 2.235 56.143 54.000 -0.153 0.000 1.000 78 D CB -0.753 40.007 40.800 -0.067 0.000 1.097 78 D HN 0.923 9.129 8.370 -0.076 0.119 0.426 79 D N -0.965 119.329 120.400 -0.177 0.000 2.433 79 D HA 0.465 nan 4.640 nan 0.000 0.255 79 D C -0.922 175.139 176.300 -0.398 0.000 1.226 79 D CA -0.183 53.742 54.000 -0.125 0.000 1.015 79 D CB 1.509 42.303 40.800 -0.010 0.000 1.091 79 D HN -0.551 7.686 8.370 -0.114 0.064 0.527 80 Y N -3.378 116.835 120.300 -0.146 0.000 2.364 80 Y HA 0.510 nan 4.550 nan 0.000 0.340 80 Y C -1.105 174.595 175.900 -0.333 0.000 0.975 80 Y CA -1.195 56.756 58.100 -0.249 0.000 1.089 80 Y CB 2.929 41.285 38.460 -0.173 0.000 1.192 80 Y HN 0.180 8.543 8.280 0.139 0.000 0.454 81 L N 2.881 123.771 121.223 -0.555 0.000 2.272 81 L HA 0.500 nan 4.340 nan 0.000 0.289 81 L C -2.153 174.466 176.870 -0.419 0.000 1.032 81 L CA -1.056 53.455 54.840 -0.549 0.000 0.810 81 L CB 2.058 43.478 42.059 -1.064 0.000 1.205 81 L HN 0.816 8.507 8.230 -0.900 0.000 0.422 82 E N 7.688 127.806 120.200 -0.137 0.000 2.186 82 E HA 0.582 nan 4.350 nan 0.000 0.255 82 E C -2.600 174.018 176.600 0.030 0.000 0.881 82 E CA -1.580 54.781 56.400 -0.065 0.000 0.752 82 E CB 3.058 32.726 29.700 -0.054 0.000 1.176 82 E HN 0.724 9.052 8.360 -0.054 0.000 0.421 83 L N 7.211 128.471 121.223 0.062 0.000 2.307 83 L HA 0.674 nan 4.340 nan 0.000 0.284 83 L C -2.146 174.789 176.870 0.109 0.000 1.023 83 L CA -1.276 53.645 54.840 0.134 0.000 0.810 83 L CB 2.946 45.124 42.059 0.199 0.000 1.231 83 L HN 0.582 8.831 8.230 0.032 0.000 0.423 84 T N 8.038 122.652 114.554 0.100 0.000 2.770 84 T HA 0.462 nan 4.350 nan 0.000 0.297 84 T C -2.000 172.759 174.700 0.099 0.000 0.997 84 T CA 0.154 62.303 62.100 0.082 0.000 0.949 84 T CB 0.177 69.080 68.868 0.058 0.000 0.941 84 T HN 0.528 8.836 8.240 0.113 0.000 0.457 85 L N 8.196 129.483 121.223 0.107 0.000 2.317 85 L HA 0.950 nan 4.340 nan 0.000 0.281 85 L C -2.419 174.515 176.870 0.108 0.000 1.024 85 L CA -1.394 53.521 54.840 0.125 0.000 0.810 85 L CB 3.108 45.258 42.059 0.152 0.000 1.240 85 L HN 0.422 8.714 8.230 0.102 0.000 0.427 86 I N 5.063 125.695 120.570 0.104 0.000 2.465 86 I HA 0.375 nan 4.170 nan 0.000 0.291 86 I C -2.501 173.663 176.117 0.078 0.000 1.014 86 I CA -1.057 60.292 61.300 0.082 0.000 1.093 86 I CB 3.130 41.170 38.000 0.067 0.000 1.267 86 I HN 0.710 8.989 8.210 0.116 0.000 0.431 87 N N 7.537 126.285 118.700 0.082 0.000 2.706 87 N HA 0.558 nan 4.740 nan 0.000 0.240 87 N C -2.859 172.696 175.510 0.075 0.000 1.039 87 N CA -3.377 49.729 53.050 0.094 0.000 0.888 87 N CB 1.869 40.441 38.487 0.142 0.000 1.128 87 N HN 0.530 8.957 8.380 0.079 0.000 0.512 88 P HA 0.003 nan 4.420 nan 0.000 0.269 88 P C 0.517 177.847 177.300 0.049 0.000 1.211 88 P CA 0.010 63.138 63.100 0.047 0.000 0.781 88 P CB 0.581 32.303 31.700 0.037 0.000 0.877 89 E N -0.025 120.199 120.200 0.040 0.000 2.409 89 E HA -0.199 nan 4.350 nan 0.000 0.198 89 E C -0.140 176.482 176.600 0.037 0.000 1.024 89 E CA 2.395 58.816 56.400 0.036 0.000 0.861 89 E CB -1.102 28.615 29.700 0.029 0.000 0.788 89 E HN 0.390 8.772 8.360 0.036 0.000 0.521 90 T N -7.248 107.328 114.554 0.037 0.000 3.072 90 T HA -0.113 nan 4.350 nan 0.000 0.266 90 T C 0.543 175.270 174.700 0.044 0.000 1.127 90 T CA 0.390 62.512 62.100 0.035 0.000 1.107 90 T CB -0.491 68.394 68.868 0.029 0.000 0.910 90 T HN -0.249 7.959 8.240 0.036 0.054 0.513 91 N N 1.212 119.946 118.700 0.057 0.000 2.463 91 N HA 0.089 nan 4.740 nan 0.000 0.270 91 N C 0.457 176.008 175.510 0.068 0.000 1.205 91 N CA -0.512 52.587 53.050 0.080 0.000 0.974 91 N CB 1.484 40.050 38.487 0.132 0.000 1.197 91 N HN -0.507 7.731 8.380 0.056 0.176 0.504 92 T N -4.091 110.504 114.554 0.069 0.000 2.971 92 T HA 0.195 nan 4.350 nan 0.000 0.252 92 T C -0.002 174.704 174.700 0.011 0.000 1.022 92 T CA -0.005 62.119 62.100 0.040 0.000 0.980 92 T CB 1.098 69.993 68.868 0.044 0.000 1.044 92 T HN 0.192 8.985 8.240 0.091 -0.499 0.501 93 L N 0.411 121.621 121.223 -0.021 0.000 2.322 93 L HA 0.293 nan 4.340 nan 0.000 0.269 93 L C -1.040 175.623 176.870 -0.345 0.000 1.012 93 L CA -1.562 53.179 54.840 -0.165 0.000 0.815 93 L CB 2.234 44.168 42.059 -0.208 0.000 1.295 93 L HN -0.419 8.116 8.230 0.045 -0.279 0.438 94 M N 0.334 119.767 119.600 -0.278 0.000 2.235 94 M HA 0.009 nan 4.480 nan 0.000 0.351 94 M C -1.466 174.593 176.300 -0.402 0.000 1.178 94 M CA 0.136 55.306 55.300 -0.217 0.000 1.143 94 M CB 0.399 32.938 32.600 -0.102 0.000 1.530 94 M HN -0.197 7.986 8.290 -0.180 0.000 0.461 95 H N 3.662 122.756 119.070 0.039 0.000 2.949 95 H HA 0.650 nan 4.556 nan 0.000 0.356 95 H C -1.935 173.416 175.328 0.037 0.000 1.212 95 H CA -0.945 55.122 56.048 0.032 0.000 1.136 95 H CB 4.601 34.375 29.762 0.020 0.000 1.869 95 H HN 0.306 8.617 8.280 0.050 0.000 0.556 96 N N -0.999 117.822 118.700 0.201 0.000 3.364 96 N HA 0.563 nan 4.740 nan 0.000 0.294 96 N C -1.990 173.645 175.510 0.207 0.000 1.562 96 N CA -0.910 52.235 53.050 0.158 0.000 0.862 96 N CB 2.921 41.460 38.487 0.086 0.000 1.691 96 N HN -0.058 8.460 8.380 0.230 0.000 0.572 97 I N -0.672 119.969 120.570 0.118 0.000 2.644 97 I HA 0.071 nan 4.170 nan 0.000 0.291 97 I C -2.247 173.800 176.117 -0.117 0.000 1.180 97 I CA -0.958 60.346 61.300 0.007 0.000 1.040 97 I CB 3.389 41.292 38.000 -0.161 0.000 1.255 97 I HN 0.170 8.434 8.210 0.089 0.000 0.422 98 D N 7.703 127.941 120.400 -0.271 0.000 2.425 98 D HA 0.283 nan 4.640 nan 0.000 0.240 98 D C -1.736 174.369 176.300 -0.325 0.000 1.080 98 D CA -2.072 51.773 54.000 -0.258 0.000 0.836 98 D CB 1.679 42.271 40.800 -0.347 0.000 1.125 98 D HN 0.607 8.665 8.370 -0.331 0.114 0.525 99 F N 4.896 124.721 119.950 -0.208 0.000 2.371 99 F HA 0.338 nan 4.527 nan 0.000 0.363 99 F C 1.094 176.800 175.800 -0.156 0.000 1.122 99 F CA -0.695 57.170 58.000 -0.224 0.000 1.129 99 F CB 1.110 39.812 39.000 -0.497 0.000 1.173 99 F HN 0.542 8.777 8.300 0.073 0.108 0.489 100 H N 7.315 126.411 119.070 0.043 0.000 2.518 100 H HA -0.296 nan 4.556 nan 0.000 0.289 100 H C 0.162 175.410 175.328 -0.135 0.000 1.051 100 H CA 1.870 57.951 56.048 0.056 0.000 1.280 100 H CB -0.206 29.694 29.762 0.229 0.000 1.380 100 H HN 0.537 8.911 8.280 0.156 0.000 0.566 101 A N -3.568 119.069 122.820 -0.306 0.000 2.119 101 A HA -0.064 nan 4.320 nan 0.000 0.216 101 A C -1.068 176.059 177.584 -0.762 0.000 1.152 101 A CA 0.744 52.130 52.037 -1.084 0.000 0.708 101 A CB 0.514 18.967 19.000 -0.911 0.000 0.805 101 A HN 0.033 8.121 8.150 -0.035 0.040 0.460 102 A N -2.251 120.080 122.820 -0.815 0.000 2.279 102 A HA 0.281 nan 4.320 nan 0.000 0.303 102 A C -0.664 176.697 177.584 -0.371 0.000 1.108 102 A CA -0.859 50.654 52.037 -0.874 0.000 0.830 102 A CB 1.191 19.373 19.000 -1.364 0.000 1.106 102 A HN -0.609 6.995 8.150 -0.619 0.175 0.493 103 T N 2.985 117.401 114.554 -0.231 0.000 2.791 103 T HA 0.237 nan 4.350 nan 0.000 0.288 103 T C -0.069 174.590 174.700 -0.069 0.000 0.999 103 T CA 0.079 62.112 62.100 -0.112 0.000 0.952 103 T CB 0.139 68.968 68.868 -0.064 0.000 0.938 103 T HN 0.384 8.492 8.240 -0.220 0.000 0.444 104 G N 3.961 112.730 108.800 -0.052 0.000 2.484 104 G HA2 -0.166 nan 3.960 nan 0.000 0.685 104 G HA3 -0.166 nan 3.960 nan 0.000 0.685 104 G C -1.524 173.365 174.900 -0.018 0.000 1.294 104 G CA -0.726 44.360 45.100 -0.023 0.000 0.879 104 G HN -0.211 8.045 8.290 -0.056 0.000 0.646 105 A N -0.134 122.686 122.820 -0.001 0.000 2.364 105 A HA -0.295 nan 4.320 nan 0.000 0.288 105 A C 0.300 177.888 177.584 0.007 0.000 1.433 105 A CA 0.917 52.959 52.037 0.009 0.000 0.757 105 A CB -1.608 17.404 19.000 0.019 0.000 1.098 105 A HN 0.342 8.494 8.150 0.003 0.000 0.380 106 L N -7.011 114.214 121.223 0.004 0.000 3.678 106 L HA -0.564 nan 4.340 nan 0.000 0.425 106 L C 0.460 177.331 176.870 0.002 0.000 1.240 106 L CA 0.536 55.382 54.840 0.010 0.000 0.876 106 L CB -2.721 39.352 42.059 0.023 0.000 1.766 106 L HN 0.287 8.518 8.230 0.002 0.000 0.917 107 G N -4.305 104.481 108.800 -0.022 0.000 2.155 107 G HA2 -0.433 nan 3.960 nan 0.000 0.257 107 G HA3 -0.433 nan 3.960 nan 0.000 0.257 107 G C 0.087 174.971 174.900 -0.028 0.000 0.983 107 G CA 0.495 45.564 45.100 -0.051 0.000 0.676 107 G HN 0.392 8.562 8.290 -0.030 0.102 0.528 108 G N -2.730 106.074 108.800 0.006 0.000 2.284 108 G HA2 -0.315 nan 3.960 nan 0.000 0.201 108 G HA3 -0.315 nan 3.960 nan 0.000 0.201 108 G C 1.075 176.011 174.900 0.059 0.000 0.998 108 G CA -0.073 45.063 45.100 0.060 0.000 0.651 108 G HN 0.026 8.118 8.290 0.001 0.199 0.489 109 G N 3.079 111.897 108.800 0.030 0.000 2.450 109 G HA2 -0.303 nan 3.960 nan 0.000 0.220 109 G HA3 -0.303 nan 3.960 nan 0.000 0.220 109 G C 0.973 175.895 174.900 0.036 0.000 1.130 109 G CA 1.543 46.661 45.100 0.030 0.000 0.760 109 G HN -0.401 7.836 8.290 0.013 0.061 0.557 110 G N -0.570 108.249 108.800 0.032 0.000 2.650 110 G HA2 -0.021 nan 3.960 nan 0.000 0.214 110 G HA3 -0.021 nan 3.960 nan 0.000 0.214 110 G C 0.460 175.380 174.900 0.035 0.000 1.136 110 G CA 0.369 45.486 45.100 0.030 0.000 0.789 110 G HN -0.423 7.858 8.290 0.029 0.027 0.536 111 L N -2.181 119.069 121.223 0.045 0.000 2.664 111 L HA 0.227 nan 4.340 nan 0.000 0.233 111 L C -0.041 176.865 176.870 0.061 0.000 1.113 111 L CA -0.166 54.704 54.840 0.050 0.000 0.896 111 L CB 1.267 43.360 42.059 0.057 0.000 1.163 111 L HN -0.650 7.439 8.230 0.049 0.170 0.497 112 T N -6.733 107.862 114.554 0.068 0.000 3.228 112 T HA 0.165 nan 4.350 nan 0.000 0.278 112 T C -0.297 174.449 174.700 0.078 0.000 1.014 112 T CA -1.434 60.715 62.100 0.082 0.000 0.904 112 T CB 0.504 69.436 68.868 0.106 0.000 1.110 112 T HN -0.808 7.358 8.240 0.063 0.111 0.541 113 E N 1.389 121.623 120.200 0.057 0.000 2.081 113 E HA 0.129 nan 4.350 nan 0.000 0.270 113 E C -0.573 176.056 176.600 0.048 0.000 1.180 113 E CA -0.007 56.421 56.400 0.046 0.000 0.926 113 E CB -0.647 29.067 29.700 0.024 0.000 1.035 113 E HN -0.422 7.967 8.360 0.049 0.000 0.418 114 I N 1.370 121.979 120.570 0.065 0.000 2.406 114 I HA 0.361 nan 4.170 nan 0.000 0.290 114 I C -1.443 174.708 176.117 0.056 0.000 0.999 114 I CA -2.123 59.215 61.300 0.064 0.000 1.124 114 I CB 1.610 39.661 38.000 0.084 0.000 1.289 114 I HN 0.454 8.715 8.210 0.085 0.000 0.441 115 N N 7.579 126.301 118.700 0.036 0.000 2.408 115 N HA 0.313 nan 4.740 nan 0.000 0.260 115 N C -2.496 173.040 175.510 0.043 0.000 1.242 115 N CA -1.357 51.707 53.050 0.022 0.000 0.959 115 N CB -0.020 38.474 38.487 0.012 0.000 1.201 115 N HN 0.412 9.195 8.380 0.033 -0.383 0.511 116 P HA -0.350 nan 4.420 nan 0.000 0.263 116 P C -0.391 176.934 177.300 0.042 0.000 1.195 116 P CA 1.542 64.675 63.100 0.054 0.000 0.762 116 P CB -0.358 31.369 31.700 0.045 0.000 0.799 117 G N 5.351 114.178 108.800 0.046 0.000 2.184 117 G HA2 -0.344 nan 3.960 nan 0.000 0.206 117 G HA3 -0.344 nan 3.960 nan 0.000 0.206 117 G C -0.901 174.022 174.900 0.038 0.000 0.995 117 G CA -0.263 44.859 45.100 0.037 0.000 0.651 117 G HN 0.938 9.148 8.290 0.055 0.113 0.511 118 E N 0.798 121.026 120.200 0.046 0.000 2.264 118 E HA 0.356 nan 4.350 nan 0.000 0.260 118 E C -1.853 174.780 176.600 0.056 0.000 0.961 118 E CA -1.409 55.019 56.400 0.046 0.000 0.834 118 E CB 3.142 32.868 29.700 0.044 0.000 1.230 118 E HN 0.025 8.363 8.360 0.053 0.054 0.412 119 K N -2.762 117.670 120.400 0.053 0.000 2.522 119 K HA 0.704 nan 4.320 nan 0.000 0.275 119 K C -1.628 175.007 176.600 0.058 0.000 1.006 119 K CA -0.937 55.386 56.287 0.060 0.000 0.890 119 K CB 3.268 35.799 32.500 0.052 0.000 1.475 119 K HN -0.073 8.204 8.250 0.046 0.000 0.441 120 T N -0.368 114.226 114.554 0.066 0.000 2.830 120 T HA 0.315 nan 4.350 nan 0.000 0.322 120 T C -2.369 172.372 174.700 0.068 0.000 1.501 120 T CA -0.365 61.773 62.100 0.063 0.000 1.036 120 T CB 2.489 71.400 68.868 0.072 0.000 1.379 120 T HN 0.260 8.544 8.240 0.073 0.000 0.493 121 I N 3.124 123.730 120.570 0.060 0.000 2.447 121 I HA 0.724 nan 4.170 nan 0.000 0.287 121 I C -1.367 174.789 176.117 0.065 0.000 1.023 121 I CA -0.775 60.560 61.300 0.059 0.000 1.083 121 I CB 2.402 40.423 38.000 0.035 0.000 1.245 121 I HN 0.234 8.476 8.210 0.053 0.000 0.434 122 L N 8.077 129.353 121.223 0.089 0.000 2.329 122 L HA 0.484 nan 4.340 nan 0.000 0.279 122 L C -2.526 174.391 176.870 0.078 0.000 1.014 122 L CA -1.634 53.269 54.840 0.106 0.000 0.814 122 L CB 4.043 46.204 42.059 0.170 0.000 1.257 122 L HN 0.802 9.092 8.230 0.100 0.000 0.424 123 R N 5.068 125.613 120.500 0.075 0.000 2.561 123 R HA 0.698 nan 4.340 nan 0.000 0.297 123 R C -1.548 174.826 176.300 0.124 0.000 0.969 123 R CA -1.026 55.093 56.100 0.032 0.000 0.879 123 R CB 2.725 33.035 30.300 0.017 0.000 1.178 123 R HN 0.167 8.491 8.270 0.089 0.000 0.445 124 F N 1.793 121.723 119.950 -0.032 0.000 2.613 124 F HA 0.331 nan 4.527 nan 0.000 0.310 124 F C -2.561 173.171 175.800 -0.114 0.000 1.085 124 F CA -2.406 55.555 58.000 -0.066 0.000 0.945 124 F CB 3.644 42.539 39.000 -0.175 0.000 1.298 124 F HN 0.688 8.758 8.300 -0.383 0.000 0.455 125 K N 1.850 122.268 120.400 0.030 0.000 2.276 125 K HA 0.161 nan 4.320 nan 0.000 0.285 125 K C -0.161 176.369 176.600 -0.116 0.000 1.062 125 K CA -0.792 55.265 56.287 -0.383 0.000 0.918 125 K CB 0.776 33.041 32.500 -0.391 0.000 1.055 125 K HN 0.330 8.685 8.250 0.174 0.000 0.477 126 A N 8.481 131.158 122.820 -0.238 0.000 3.037 126 A HA 0.295 nan 4.320 nan 0.000 0.272 126 A C 0.422 177.957 177.584 -0.083 0.000 1.723 126 A CA -0.498 51.497 52.037 -0.070 0.000 1.413 126 A CB -1.140 17.794 19.000 -0.110 0.000 1.112 126 A HN 0.582 8.472 8.150 -0.434 0.000 0.606 127 T N -1.970 112.543 114.554 -0.069 0.000 2.962 127 T HA -0.212 nan 4.350 nan 0.000 0.270 127 T C 0.287 174.993 174.700 0.010 0.000 1.088 127 T CA 1.716 63.790 62.100 -0.043 0.000 1.127 127 T CB 0.011 68.857 68.868 -0.036 0.000 0.883 127 T HN 0.147 8.316 8.240 -0.052 0.039 0.493 128 K N 0.292 120.711 120.400 0.032 0.000 2.292 128 K HA 0.488 nan 4.320 nan 0.000 0.257 128 K C -2.776 173.978 176.600 0.256 0.000 0.940 128 K CA -3.217 53.156 56.287 0.144 0.000 0.811 128 K CB 1.875 34.503 32.500 0.213 0.000 1.120 128 K HN -0.353 7.845 8.250 -0.032 0.033 0.428 129 P HA 0.039 nan 4.420 nan 0.000 0.280 129 P C -1.365 175.989 177.300 0.089 0.000 1.244 129 P CA -0.890 62.369 63.100 0.266 0.000 0.784 129 P CB 0.737 32.598 31.700 0.268 0.000 0.913 130 G N 0.114 108.864 108.800 -0.084 0.000 2.356 130 G HA2 -0.071 nan 3.960 nan 0.000 0.300 130 G HA3 -0.071 nan 3.960 nan 0.000 0.300 130 G C -2.342 172.175 174.900 -0.639 0.000 1.331 130 G CA 0.168 44.594 45.100 -1.123 0.000 0.905 130 G HN -0.010 8.319 8.290 0.243 0.107 0.587 131 V N -4.600 114.832 119.914 -0.804 0.000 2.509 131 V HA 0.970 nan 4.120 nan 0.000 0.284 131 V C -1.448 174.370 176.094 -0.459 0.000 1.047 131 V CA -2.656 59.441 62.300 -0.339 0.000 0.952 131 V CB -0.009 31.698 31.823 -0.195 0.000 0.988 131 V HN 0.437 7.985 8.190 -1.070 0.000 0.469 132 F N 4.232 124.155 119.950 -0.046 0.000 2.578 132 F HA 0.503 nan 4.527 nan 0.000 0.311 132 F C -0.813 174.986 175.800 -0.002 0.000 1.094 132 F CA -1.367 56.648 58.000 0.024 0.000 0.923 132 F CB 4.006 43.059 39.000 0.087 0.000 1.230 132 F HN 0.567 9.007 8.300 0.232 0.000 0.450 133 V N 1.440 121.445 119.914 0.152 0.000 2.881 133 V HA 0.314 nan 4.120 nan 0.000 0.303 133 V C -1.181 174.802 176.094 -0.186 0.000 1.070 133 V CA 0.469 62.711 62.300 -0.098 0.000 1.074 133 V CB 0.143 31.864 31.823 -0.170 0.000 1.012 133 V HN 0.899 9.236 8.190 0.245 0.000 0.482 134 Y N 1.080 121.224 120.300 -0.261 0.000 2.524 134 Y HA 1.020 nan 4.550 nan 0.000 0.347 134 Y C -2.816 172.903 175.900 -0.301 0.000 1.005 134 Y CA -2.807 55.004 58.100 -0.481 0.000 1.025 134 Y CB 2.430 40.398 38.460 -0.820 0.000 1.275 134 Y HN 0.344 8.216 8.280 -0.518 0.097 0.460 135 H N -3.615 115.434 119.070 -0.035 0.000 2.987 135 H HA 0.433 nan 4.556 nan 0.000 0.316 135 H C -2.091 173.388 175.328 0.252 0.000 1.380 135 H CA -1.156 54.988 56.048 0.160 0.000 1.160 135 H CB 1.956 31.742 29.762 0.041 0.000 1.865 135 H HN 0.628 8.611 8.280 -0.495 0.000 0.521 136 C N 0.966 120.572 119.300 0.510 0.000 2.604 136 C HA 0.307 nan 4.460 nan 0.000 0.396 136 C C -1.251 173.935 174.990 0.326 0.000 1.282 136 C CA -0.809 58.423 59.018 0.356 0.000 2.292 136 C CB 0.274 28.196 27.740 0.304 0.000 2.633 136 C HN 0.019 8.611 8.230 0.603 0.000 0.620 137 A N 5.675 128.591 122.820 0.160 0.000 3.277 137 A HA 0.441 nan 4.320 nan 0.000 0.281 137 A C -3.131 174.465 177.584 0.020 0.000 1.179 137 A CA -1.171 50.947 52.037 0.136 0.000 0.879 137 A CB 0.584 19.689 19.000 0.176 0.000 1.374 137 A HN 0.803 9.464 8.150 0.112 -0.443 0.590 138 P HA 0.387 nan 4.420 nan 0.000 0.282 138 P C -2.493 174.772 177.300 -0.057 0.000 1.274 138 P CA -1.694 61.325 63.100 -0.136 0.000 0.770 138 P CB -0.307 31.177 31.700 -0.360 0.000 0.867 139 P HA -0.307 nan 4.420 nan 0.000 0.259 139 P C 0.246 177.554 177.300 0.012 0.000 1.163 139 P CA 1.532 64.637 63.100 0.009 0.000 0.760 139 P CB -0.281 31.422 31.700 0.005 0.000 0.762 140 G N 3.528 112.350 108.800 0.037 0.000 2.205 140 G HA2 -0.269 nan 3.960 nan 0.000 0.261 140 G HA3 -0.269 nan 3.960 nan 0.000 0.261 140 G C -0.283 174.677 174.900 0.100 0.000 0.980 140 G CA 0.151 45.282 45.100 0.052 0.000 0.632 140 G HN 0.349 8.666 8.290 0.045 0.000 0.533 141 M N -1.617 118.054 119.600 0.118 0.000 2.511 141 M HA 0.189 nan 4.480 nan 0.000 0.387 141 M C 0.844 177.314 176.300 0.283 0.000 1.112 141 M CA -1.294 54.171 55.300 0.274 0.000 0.921 141 M CB 0.039 32.815 32.600 0.294 0.000 1.501 141 M HN 0.040 8.182 8.290 0.061 0.186 0.538 142 V N 3.762 123.780 119.914 0.173 0.000 2.214 142 V HA -0.284 nan 4.120 nan 0.000 0.247 142 V C -0.171 176.055 176.094 0.219 0.000 1.051 142 V CA 6.314 68.717 62.300 0.172 0.000 1.003 142 V CB -3.098 28.810 31.823 0.141 0.000 0.635 142 V HN 0.266 8.476 8.190 0.139 0.063 0.447 143 P HA -0.180 nan 4.420 nan 0.000 0.218 143 P C 0.999 178.452 177.300 0.255 0.000 1.148 143 P CA 2.924 66.117 63.100 0.155 0.000 0.822 143 P CB -0.369 31.379 31.700 0.081 0.000 0.784 144 W N -0.111 121.276 121.300 0.146 0.000 2.355 144 W HA -0.340 nan 4.660 nan 0.000 0.309 144 W C 1.394 178.041 176.519 0.213 0.000 1.206 144 W CA 3.382 60.832 57.345 0.175 0.000 1.284 144 W CB -0.575 29.055 29.460 0.283 0.000 1.145 144 W HN -0.258 8.201 8.180 0.488 0.014 0.502 145 H N -1.967 117.139 119.070 0.061 0.000 2.357 145 H HA -0.393 nan 4.556 nan 0.000 0.301 145 H C 2.553 177.862 175.328 -0.032 0.000 1.082 145 H CA 4.325 60.312 56.048 -0.102 0.000 1.342 145 H CB 0.414 30.194 29.762 0.031 0.000 1.389 145 H HN -0.430 8.228 8.280 0.630 0.000 0.511 146 V N -0.683 119.332 119.914 0.167 0.000 2.343 146 V HA -0.293 nan 4.120 nan 0.000 0.247 146 V C 2.488 178.607 176.094 0.043 0.000 1.051 146 V CA 4.491 66.838 62.300 0.078 0.000 1.036 146 V CB -0.389 31.419 31.823 -0.026 0.000 0.654 146 V HN -0.240 8.085 8.190 0.224 0.000 0.451 147 V N -7.356 112.609 119.914 0.086 0.000 3.573 147 V HA 0.027 nan 4.120 nan 0.000 0.270 147 V C 0.269 176.484 176.094 0.202 0.000 1.221 147 V CA 1.448 63.834 62.300 0.144 0.000 1.163 147 V CB -1.788 30.203 31.823 0.280 0.000 0.847 147 V HN 0.215 8.473 8.190 0.113 0.000 0.468 148 S N 0.007 115.748 115.700 0.069 0.000 2.582 148 S HA 0.252 nan 4.470 nan 0.000 0.234 148 S C -0.092 174.581 174.600 0.122 0.000 0.961 148 S CA -0.239 57.991 58.200 0.050 0.000 0.953 148 S CB 0.487 63.488 63.200 -0.331 0.000 0.800 148 S HN -0.573 7.531 8.310 -0.007 0.202 0.471 149 G N -0.217 108.655 108.800 0.119 0.000 2.157 149 G HA2 -0.444 nan 3.960 nan 0.000 0.248 149 G HA3 -0.444 nan 3.960 nan 0.000 0.248 149 G C -0.531 174.391 174.900 0.038 0.000 0.979 149 G CA 0.571 45.715 45.100 0.074 0.000 0.650 149 G HN -0.439 7.794 8.290 0.073 0.101 0.529 150 M N 3.315 122.925 119.600 0.017 0.000 3.586 150 M HA -0.063 nan 4.480 nan 0.000 0.225 150 M C -2.572 173.916 176.300 0.313 0.000 1.428 150 M CA -0.362 54.961 55.300 0.038 0.000 1.613 150 M CB -1.409 31.125 32.600 -0.109 0.000 1.063 150 M HN -0.507 7.738 8.290 -0.001 0.045 0.593 151 N N -1.928 116.947 118.700 0.291 0.000 2.961 151 N HA 0.702 nan 4.740 nan 0.000 0.245 151 N C -1.861 173.561 175.510 -0.147 0.000 1.404 151 N CA -0.604 52.523 53.050 0.129 0.000 0.880 151 N CB 3.225 41.735 38.487 0.039 0.000 1.461 151 N HN -0.260 8.208 8.380 0.228 0.050 0.510 152 G N -2.891 105.478 108.800 -0.718 0.000 2.694 152 G HA2 0.376 nan 3.960 nan 0.000 0.246 152 G HA3 0.376 nan 3.960 nan 0.000 0.246 152 G C -3.210 171.145 174.900 -0.908 0.000 1.205 152 G CA -0.423 44.213 45.100 -0.774 0.000 0.891 152 G HN 0.685 8.464 8.290 -0.851 0.000 0.515 153 A N -2.235 120.090 122.820 -0.825 0.000 2.610 153 A HA 1.018 nan 4.320 nan 0.000 0.291 153 A C -2.399 175.100 177.584 -0.141 0.000 1.086 153 A CA -0.620 51.171 52.037 -0.410 0.000 0.677 153 A CB 3.237 22.022 19.000 -0.358 0.000 1.278 153 A HN -0.039 7.678 8.150 -0.722 0.000 0.414 154 I N -6.012 114.592 120.570 0.057 0.000 3.042 154 I HA 1.002 nan 4.170 nan 0.000 0.310 154 I C -2.510 173.640 176.117 0.055 0.000 1.117 154 I CA -2.333 59.010 61.300 0.072 0.000 1.003 154 I CB 4.480 42.612 38.000 0.219 0.000 1.228 154 I HN 0.697 8.978 8.210 0.119 0.000 0.443 155 M N 2.223 121.826 119.600 0.006 0.000 2.259 155 M HA 0.579 nan 4.480 nan 0.000 0.304 155 M C -2.335 174.005 176.300 0.068 0.000 1.019 155 M CA -1.327 53.998 55.300 0.041 0.000 0.922 155 M CB 3.732 36.302 32.600 -0.049 0.000 1.600 155 M HN 0.651 8.813 8.290 -0.042 0.103 0.433 156 V N 7.102 127.125 119.914 0.181 0.000 2.277 156 V HA 0.497 nan 4.120 nan 0.000 0.269 156 V C -0.771 175.421 176.094 0.162 0.000 1.036 156 V CA -1.146 61.237 62.300 0.138 0.000 0.821 156 V CB -0.813 31.133 31.823 0.205 0.000 1.052 156 V HN 1.022 9.258 8.190 0.257 0.109 0.462 157 L N 8.171 129.353 121.223 -0.069 0.000 2.439 157 L HA 0.251 nan 4.340 nan 0.000 0.269 157 L C -1.950 174.911 176.870 -0.016 0.000 1.179 157 L CA -1.877 52.879 54.840 -0.140 0.000 0.828 157 L CB 0.408 42.221 42.059 -0.411 0.000 1.106 157 L HN 0.508 8.601 8.230 -0.229 0.000 0.467 158 P HA 0.046 nan 4.420 nan 0.000 0.269 158 P C -0.085 177.330 177.300 0.193 0.000 1.215 158 P CA -0.057 63.105 63.100 0.103 0.000 0.780 158 P CB 0.639 32.380 31.700 0.068 0.000 0.898 159 R N 2.566 123.175 120.500 0.182 0.000 2.103 159 R HA -0.281 nan 4.340 nan 0.000 0.242 159 R C 1.372 177.749 176.300 0.129 0.000 1.142 159 R CA 3.167 59.368 56.100 0.169 0.000 0.960 159 R CB -1.191 29.148 30.300 0.066 0.000 0.858 159 R HN 0.575 8.923 8.270 0.130 0.000 0.439 160 E N -2.633 117.640 120.200 0.121 0.000 2.359 160 E HA -0.054 nan 4.350 nan 0.000 0.187 160 E C 0.331 177.035 176.600 0.173 0.000 1.081 160 E CA -0.880 55.606 56.400 0.145 0.000 0.929 160 E CB -1.475 28.319 29.700 0.156 0.000 1.086 160 E HN -0.056 8.351 8.360 0.114 0.022 0.462 161 G N -0.681 108.183 108.800 0.107 0.000 2.750 161 G HA2 -0.395 nan 3.960 nan 0.000 0.228 161 G HA3 -0.395 nan 3.960 nan 0.000 0.228 161 G C -1.274 173.558 174.900 -0.114 0.000 1.367 161 G CA -0.357 44.729 45.100 -0.023 0.000 0.871 161 G HN -0.325 7.870 8.290 0.156 0.188 0.560 162 L N 0.358 121.415 121.223 -0.277 0.000 2.417 162 L HA 0.055 nan 4.340 nan 0.000 0.268 162 L C -0.306 176.307 176.870 -0.429 0.000 1.158 162 L CA 0.143 54.767 54.840 -0.360 0.000 0.819 162 L CB 0.445 42.256 42.059 -0.413 0.000 1.112 162 L HN 0.350 8.437 8.230 -0.240 0.000 0.458 163 H N -0.085 118.913 119.070 -0.119 0.000 2.928 163 H HA 0.571 nan 4.556 nan 0.000 0.371 163 H C -1.627 173.679 175.328 -0.037 0.000 1.186 163 H CA -1.589 54.405 56.048 -0.091 0.000 1.134 163 H CB 4.307 34.041 29.762 -0.046 0.000 1.824 163 H HN -0.174 8.128 8.280 0.037 0.000 0.554 164 D N -0.380 119.988 120.400 -0.053 0.000 2.478 164 D HA 0.072 nan 4.640 nan 0.000 0.274 164 D C 1.928 178.257 176.300 0.050 0.000 1.234 164 D CA -1.579 52.341 54.000 -0.133 0.000 1.069 164 D CB 1.052 41.654 40.800 -0.329 0.000 1.113 164 D HN 0.404 8.625 8.370 -0.075 0.105 0.571 165 G N -2.927 105.903 108.800 0.051 0.000 2.448 165 G HA2 -0.280 nan 3.960 nan 0.000 0.219 165 G HA3 -0.280 nan 3.960 nan 0.000 0.219 165 G C 0.548 175.478 174.900 0.050 0.000 1.127 165 G CA 2.315 47.453 45.100 0.064 0.000 0.766 165 G HN 0.493 8.812 8.290 0.047 0.000 0.552 166 K N -0.158 120.267 120.400 0.042 0.000 2.446 166 K HA 0.122 nan 4.320 nan 0.000 0.203 166 K C -0.235 176.383 176.600 0.030 0.000 1.027 166 K CA -1.305 55.000 56.287 0.030 0.000 1.166 166 K CB -0.308 32.209 32.500 0.027 0.000 0.869 166 K HN -0.499 7.925 8.250 0.043 -0.147 0.504 167 G N -1.937 106.890 108.800 0.045 0.000 2.205 167 G HA2 -0.479 nan 3.960 nan 0.000 0.261 167 G HA3 -0.479 nan 3.960 nan 0.000 0.261 167 G C -0.237 174.755 174.900 0.154 0.000 0.980 167 G CA 0.322 45.457 45.100 0.058 0.000 0.632 167 G HN -0.343 7.812 8.290 0.056 0.169 0.533 168 K N 1.074 121.519 120.400 0.075 0.000 2.401 168 K HA -0.033 nan 4.320 nan 0.000 0.278 168 K C -0.641 175.934 176.600 -0.041 0.000 1.018 168 K CA -0.075 56.229 56.287 0.028 0.000 0.981 168 K CB 0.490 32.975 32.500 -0.025 0.000 0.933 168 K HN -0.479 7.897 8.250 0.040 -0.101 0.477 169 A N 2.481 125.229 122.820 -0.120 0.000 2.445 169 A HA 0.216 nan 4.320 nan 0.000 0.242 169 A C -0.512 176.859 177.584 -0.356 0.000 1.075 169 A CA 0.204 52.001 52.037 -0.400 0.000 0.777 169 A CB 0.555 19.355 19.000 -0.334 0.000 1.013 169 A HN 0.189 8.308 8.150 -0.053 0.000 0.493 170 L N 2.657 123.619 121.223 -0.435 0.000 2.388 170 L HA 0.140 nan 4.340 nan 0.000 0.267 170 L C -1.191 175.585 176.870 -0.158 0.000 0.995 170 L CA -0.593 53.961 54.840 -0.477 0.000 0.864 170 L CB 1.098 42.639 42.059 -0.865 0.000 1.216 170 L HN 0.137 7.959 8.230 -0.517 0.097 0.430 171 T N 5.576 120.157 114.554 0.045 0.000 2.758 171 T HA 0.368 nan 4.350 nan 0.000 0.285 171 T C -0.598 174.267 174.700 0.276 0.000 0.981 171 T CA -0.885 61.246 62.100 0.052 0.000 0.965 171 T CB 0.805 69.636 68.868 -0.061 0.000 0.927 171 T HN 0.130 8.406 8.240 0.060 0.000 0.448 172 Y N 3.656 124.096 120.300 0.233 0.000 2.335 172 Y HA 0.297 nan 4.550 nan 0.000 0.323 172 Y C -1.172 174.720 175.900 -0.013 0.000 1.224 172 Y CA -1.966 56.157 58.100 0.038 0.000 1.241 172 Y CB 0.979 39.408 38.460 -0.051 0.000 1.235 172 Y HN 0.068 8.429 8.280 -0.362 -0.298 0.492 173 D N 1.244 121.719 120.400 0.125 0.000 2.262 173 D HA 0.021 nan 4.640 nan 0.000 0.212 173 D C 0.137 176.505 176.300 0.112 0.000 0.964 173 D CA 1.930 55.970 54.000 0.067 0.000 0.875 173 D CB 1.722 42.546 40.800 0.041 0.000 0.996 173 D HN 0.697 8.997 8.370 0.084 0.121 0.497 174 K N -2.015 118.469 120.400 0.141 0.000 2.443 174 K HA 0.413 nan 4.320 nan 0.000 0.251 174 K C -2.129 174.455 176.600 -0.027 0.000 0.972 174 K CA -1.432 54.877 56.287 0.037 0.000 0.833 174 K CB 4.580 37.065 32.500 -0.025 0.000 1.317 174 K HN -0.364 7.962 8.250 0.128 0.000 0.441 175 I N -0.497 119.946 120.570 -0.211 0.000 2.619 175 I HA 0.603 nan 4.170 nan 0.000 0.292 175 I C -2.064 173.833 176.117 -0.367 0.000 1.100 175 I CA -1.645 59.490 61.300 -0.274 0.000 1.043 175 I CB 2.377 40.223 38.000 -0.255 0.000 1.239 175 I HN 0.012 8.049 8.210 -0.288 0.000 0.420 176 Y N 5.204 125.472 120.300 -0.053 0.000 2.512 176 Y HA 0.345 nan 4.550 nan 0.000 0.348 176 Y C -2.443 173.434 175.900 -0.039 0.000 0.990 176 Y CA -1.869 56.173 58.100 -0.096 0.000 1.033 176 Y CB 4.352 42.713 38.460 -0.166 0.000 1.259 176 Y HN 0.620 8.921 8.280 0.035 0.000 0.461 177 Y N 3.124 123.414 120.300 -0.018 0.000 2.345 177 Y HA 0.529 nan 4.550 nan 0.000 0.331 177 Y C -1.758 174.038 175.900 -0.172 0.000 0.959 177 Y CA -2.234 55.815 58.100 -0.085 0.000 1.204 177 Y CB 1.149 39.569 38.460 -0.067 0.000 1.135 177 Y HN 0.396 8.636 8.280 0.141 0.124 0.477 178 V N 9.893 129.482 119.914 -0.543 0.000 2.328 178 V HA 0.244 nan 4.120 nan 0.000 0.278 178 V C -1.461 174.058 176.094 -0.959 0.000 1.021 178 V CA -1.326 60.485 62.300 -0.814 0.000 0.838 178 V CB 0.952 32.242 31.823 -0.888 0.000 0.999 178 V HN 0.965 8.914 8.190 -0.219 0.109 0.447 179 G N 6.856 115.109 108.800 -0.912 0.000 2.347 179 G HA2 0.405 nan 3.960 nan 0.000 0.314 179 G HA3 0.405 nan 3.960 nan 0.000 0.314 179 G C -2.516 172.214 174.900 -0.284 0.000 1.126 179 G CA -1.402 43.356 45.100 -0.570 0.000 0.929 179 G HN 0.285 8.068 8.290 -0.846 0.000 0.441 180 E N 5.501 125.628 120.200 -0.122 0.000 2.216 180 E HA 0.444 nan 4.350 nan 0.000 0.279 180 E C -2.516 174.048 176.600 -0.059 0.000 0.997 180 E CA -1.253 55.206 56.400 0.098 0.000 0.817 180 E CB 2.515 32.430 29.700 0.358 0.000 1.096 180 E HN 0.432 8.738 8.360 -0.090 0.000 0.393 181 Q N 5.109 124.804 119.800 -0.175 0.000 2.356 181 Q HA 0.289 nan 4.340 nan 0.000 0.270 181 Q C -2.397 173.304 176.000 -0.499 0.000 1.058 181 Q CA -2.056 53.498 55.803 -0.414 0.000 0.802 181 Q CB 4.014 32.309 28.738 -0.738 0.000 1.303 181 Q HN 0.786 8.976 8.270 -0.134 0.000 0.444 182 D N 3.603 123.751 120.400 -0.421 0.000 2.329 182 D HA 0.375 nan 4.640 nan 0.000 0.232 182 D C -1.141 174.921 176.300 -0.397 0.000 1.088 182 D CA -1.238 52.553 54.000 -0.349 0.000 0.835 182 D CB 0.212 40.920 40.800 -0.153 0.000 1.078 182 D HN 0.057 8.219 8.370 -0.347 0.000 0.495 183 F N 2.416 122.197 119.950 -0.281 0.000 2.458 183 F HA 0.277 nan 4.527 nan 0.000 0.330 183 F C -1.280 174.271 175.800 -0.415 0.000 1.082 183 F CA -1.231 56.655 58.000 -0.189 0.000 0.995 183 F CB 4.176 43.091 39.000 -0.142 0.000 1.170 183 F HN 0.558 8.736 8.300 -0.203 0.000 0.478 184 Y N 0.337 120.816 120.300 0.297 0.000 2.749 184 Y HA 0.214 nan 4.550 nan 0.000 0.343 184 Y C -1.602 174.413 175.900 0.192 0.000 1.015 184 Y CA -1.542 56.684 58.100 0.211 0.000 1.270 184 Y CB -0.252 38.304 38.460 0.159 0.000 1.097 184 Y HN 0.111 8.734 8.280 0.572 0.000 0.571 185 V N 4.268 124.343 119.914 0.268 0.000 2.383 185 V HA 0.271 nan 4.120 nan 0.000 0.275 185 V C -1.545 174.784 176.094 0.391 0.000 1.036 185 V CA -3.291 59.152 62.300 0.238 0.000 0.889 185 V CB 0.030 31.834 31.823 -0.032 0.000 0.985 185 V HN 0.044 8.384 8.190 0.250 0.000 0.459 186 P HA 0.068 nan 4.420 nan 0.000 0.269 186 P C -2.052 175.435 177.300 0.313 0.000 1.215 186 P CA -0.200 63.087 63.100 0.311 0.000 0.780 186 P CB 0.698 32.595 31.700 0.328 0.000 0.898 187 R N -0.197 120.400 120.500 0.162 0.000 2.750 187 R HA 0.695 nan 4.340 nan 0.000 0.281 187 R C -0.723 175.582 176.300 0.008 0.000 0.972 187 R CA -1.339 54.773 56.100 0.020 0.000 0.912 187 R CB 3.716 33.940 30.300 -0.127 0.000 1.187 187 R HN 0.047 8.399 8.270 0.137 0.000 0.464 188 D N 2.865 123.250 120.400 -0.025 0.000 2.414 188 D HA -0.038 nan 4.640 nan 0.000 0.259 188 D C 1.390 177.672 176.300 -0.030 0.000 1.269 188 D CA -0.938 53.050 54.000 -0.021 0.000 1.028 188 D CB 0.459 41.239 40.800 -0.033 0.000 1.093 188 D HN 0.659 9.000 8.370 -0.047 0.000 0.545 189 E N -2.493 117.694 120.200 -0.022 0.000 2.463 189 E HA -0.255 nan 4.350 nan 0.000 0.201 189 E C 0.535 177.115 176.600 -0.035 0.000 1.045 189 E CA 2.197 58.583 56.400 -0.023 0.000 0.872 189 E CB -0.848 28.843 29.700 -0.015 0.000 0.797 189 E HN 0.421 8.771 8.360 -0.017 0.000 0.538 190 N N -3.610 115.062 118.700 -0.046 0.000 2.254 190 N HA 0.079 nan 4.740 nan 0.000 0.190 190 N C 0.139 175.601 175.510 -0.080 0.000 1.107 190 N CA 0.421 53.439 53.050 -0.054 0.000 0.869 190 N CB 1.265 39.723 38.487 -0.047 0.000 0.983 190 N HN -0.482 8.049 8.380 -0.047 -0.179 0.487 191 G N -0.545 108.191 108.800 -0.107 0.000 2.157 191 G HA2 -0.364 nan 3.960 nan 0.000 0.239 191 G HA3 -0.364 nan 3.960 nan 0.000 0.239 191 G C -0.887 173.848 174.900 -0.276 0.000 0.982 191 G CA 0.069 45.065 45.100 -0.174 0.000 0.650 191 G HN -0.071 8.012 8.290 -0.091 0.152 0.527 192 K N 0.965 121.245 120.400 -0.201 0.000 2.172 192 K HA 0.224 nan 4.320 nan 0.000 0.276 192 K C -0.241 176.253 176.600 -0.176 0.000 1.013 192 K CA -1.289 54.884 56.287 -0.190 0.000 0.913 192 K CB 1.089 33.542 32.500 -0.079 0.000 1.055 192 K HN -0.728 7.592 8.250 -0.136 -0.151 0.461 193 Y N 1.779 122.091 120.300 0.020 0.000 2.610 193 Y HA -0.193 nan 4.550 nan 0.000 0.332 193 Y C 0.264 176.156 175.900 -0.012 0.000 1.201 193 Y CA 1.161 59.281 58.100 0.034 0.000 1.465 193 Y CB 0.221 38.719 38.460 0.064 0.000 1.283 193 Y HN 0.260 8.463 8.280 -0.128 0.000 0.563 194 K N 4.780 125.267 120.400 0.145 0.000 2.118 194 K HA 0.055 nan 4.320 nan 0.000 0.264 194 K C -0.854 175.651 176.600 -0.159 0.000 1.000 194 K CA -0.518 55.714 56.287 -0.092 0.000 0.929 194 K CB 0.994 33.359 32.500 -0.225 0.000 1.021 194 K HN 0.121 8.520 8.250 0.249 0.000 0.463 195 K N 0.716 120.938 120.400 -0.297 0.000 2.203 195 K HA 0.285 nan 4.320 nan 0.000 0.251 195 K C -0.709 175.677 176.600 -0.356 0.000 0.944 195 K CA -0.833 55.356 56.287 -0.162 0.000 0.829 195 K CB 2.191 34.656 32.500 -0.058 0.000 1.125 195 K HN 0.058 8.118 8.250 -0.315 0.000 0.430 196 Y N -0.050 120.356 120.300 0.176 0.000 2.576 196 Y HA 0.190 nan 4.550 nan 0.000 0.346 196 Y C 0.678 176.713 175.900 0.225 0.000 1.018 196 Y CA -1.015 57.183 58.100 0.165 0.000 1.050 196 Y CB 3.306 41.826 38.460 0.099 0.000 1.280 196 Y HN 0.418 8.925 8.280 0.379 0.000 0.474 197 E N 1.229 121.601 120.200 0.286 0.000 2.478 197 E HA -0.037 nan 4.350 nan 0.000 0.194 197 E C -0.816 175.903 176.600 0.200 0.000 1.045 197 E CA 0.711 57.235 56.400 0.207 0.000 0.868 197 E CB 0.764 30.538 29.700 0.124 0.000 0.885 197 E HN 0.537 9.056 8.360 0.265 0.000 0.505 198 A N -2.394 120.484 122.820 0.095 0.000 2.597 198 A HA 0.227 nan 4.320 nan 0.000 0.292 198 A C -2.508 174.786 177.584 -0.482 0.000 1.057 198 A CA -1.621 50.379 52.037 -0.062 0.000 0.674 198 A CB 1.040 20.048 19.000 0.013 0.000 1.278 198 A HN -0.653 7.496 8.150 0.085 0.052 0.416 199 P HA -0.247 nan 4.420 nan 0.000 0.213 199 P C 1.531 178.864 177.300 0.054 0.000 1.170 199 P CA 2.822 65.797 63.100 -0.207 0.000 0.902 199 P CB 0.456 32.179 31.700 0.038 0.000 0.789 200 G N -4.804 104.048 108.800 0.087 0.000 2.462 200 G HA2 -0.358 nan 3.960 nan 0.000 0.220 200 G HA3 -0.358 nan 3.960 nan 0.000 0.220 200 G C 0.613 175.483 174.900 -0.050 0.000 1.121 200 G CA 1.778 46.899 45.100 0.035 0.000 0.758 200 G HN 0.573 8.901 8.290 0.064 0.000 0.559 201 D N 0.815 121.161 120.400 -0.090 0.000 2.178 201 D HA -0.153 nan 4.640 nan 0.000 0.202 201 D C 0.849 176.956 176.300 -0.321 0.000 0.974 201 D CA 2.189 56.144 54.000 -0.075 0.000 0.841 201 D CB -0.399 40.439 40.800 0.064 0.000 0.953 201 D HN -0.592 7.573 8.370 -0.102 0.143 0.478 202 A N -2.290 120.161 122.820 -0.615 0.000 2.147 202 A HA 0.059 nan 4.320 nan 0.000 0.211 202 A C 0.855 178.177 177.584 -0.437 0.000 1.160 202 A CA 1.159 52.551 52.037 -1.076 0.000 0.781 202 A CB 0.057 18.472 19.000 -0.976 0.000 0.842 202 A HN -0.252 7.508 8.150 -0.411 0.143 0.475 203 Y N 0.450 120.511 120.300 -0.398 0.000 1.977 203 Y HA -0.687 nan 4.550 nan 0.000 0.264 203 Y C 1.195 176.816 175.900 -0.465 0.000 1.167 203 Y CA 4.986 62.706 58.100 -0.634 0.000 1.102 203 Y CB 0.075 38.044 38.460 -0.819 0.000 0.948 203 Y HN -0.504 7.548 8.280 -0.113 0.159 0.489 204 E N -3.313 116.696 120.200 -0.319 0.000 2.065 204 E HA -0.472 nan 4.350 nan 0.000 0.201 204 E C 2.532 178.984 176.600 -0.247 0.000 1.016 204 E CA 3.472 59.713 56.400 -0.266 0.000 0.818 204 E CB -0.982 28.676 29.700 -0.071 0.000 0.749 204 E HN 0.321 8.628 8.360 -0.089 0.000 0.453 205 D N -1.907 118.402 120.400 -0.152 0.000 2.144 205 D HA -0.207 nan 4.640 nan 0.000 0.199 205 D C 2.495 178.760 176.300 -0.057 0.000 0.984 205 D CA 2.899 56.874 54.000 -0.041 0.000 0.834 205 D CB -0.377 40.488 40.800 0.108 0.000 0.955 205 D HN 0.196 8.475 8.370 -0.152 0.000 0.465 206 T N 3.308 117.780 114.554 -0.136 0.000 2.821 206 T HA -0.177 nan 4.350 nan 0.000 0.267 206 T C 2.198 176.811 174.700 -0.146 0.000 1.046 206 T CA 4.446 66.512 62.100 -0.057 0.000 1.139 206 T CB -0.187 68.697 68.868 0.026 0.000 0.871 206 T HN 0.069 8.173 8.240 -0.227 0.000 0.454 207 V N 2.020 121.708 119.914 -0.376 0.000 2.407 207 V HA -0.450 nan 4.120 nan 0.000 0.248 207 V C 1.683 177.656 176.094 -0.200 0.000 1.055 207 V CA 4.761 66.840 62.300 -0.369 0.000 1.049 207 V CB -1.152 30.337 31.823 -0.556 0.000 0.662 207 V HN 0.268 8.130 8.190 -0.546 0.000 0.455 208 K N -1.282 119.030 120.400 -0.147 0.000 2.063 208 K HA -0.295 nan 4.320 nan 0.000 0.208 208 K C 2.566 179.154 176.600 -0.020 0.000 1.048 208 K CA 2.474 58.719 56.287 -0.068 0.000 0.928 208 K CB -0.990 31.487 32.500 -0.038 0.000 0.713 208 K HN -0.554 7.580 8.250 -0.176 0.011 0.442 209 V N -0.515 119.414 119.914 0.025 0.000 2.358 209 V HA -0.333 nan 4.120 nan 0.000 0.246 209 V C 2.695 178.837 176.094 0.080 0.000 1.047 209 V CA 3.741 66.113 62.300 0.120 0.000 1.035 209 V CB -0.685 31.282 31.823 0.241 0.000 0.658 209 V HN -0.697 7.502 8.190 0.016 0.000 0.452 210 M N -0.723 118.808 119.600 -0.116 0.000 2.080 210 M HA -0.487 nan 4.480 nan 0.000 0.260 210 M C 2.432 178.581 176.300 -0.251 0.000 1.068 210 M CA 4.303 59.328 55.300 -0.458 0.000 1.109 210 M CB -0.463 31.879 32.600 -0.429 0.000 1.342 210 M HN -0.183 7.985 8.290 -0.088 0.069 0.405 211 R N -2.818 117.604 120.500 -0.130 0.000 2.200 211 R HA -0.261 nan 4.340 nan 0.000 0.234 211 R C 1.651 177.938 176.300 -0.022 0.000 1.127 211 R CA 2.603 58.661 56.100 -0.071 0.000 0.989 211 R CB -0.569 29.698 30.300 -0.056 0.000 0.869 211 R HN -0.107 8.088 8.270 -0.125 0.000 0.459 212 T N -5.457 109.104 114.554 0.013 0.000 3.072 212 T HA -0.087 nan 4.350 nan 0.000 0.266 212 T C 0.907 175.654 174.700 0.077 0.000 1.127 212 T CA 0.414 62.545 62.100 0.051 0.000 1.107 212 T CB 0.067 68.984 68.868 0.083 0.000 0.910 212 T HN -0.506 7.596 8.240 0.014 0.146 0.513 213 L N -3.389 117.885 121.223 0.084 0.000 4.429 213 L HA -0.426 nan 4.340 nan 0.000 0.422 213 L C -1.326 175.683 176.870 0.231 0.000 1.149 213 L CA 0.554 55.474 54.840 0.134 0.000 0.972 213 L CB -2.213 39.890 42.059 0.074 0.000 2.059 213 L HN -0.101 7.969 8.230 0.030 0.179 0.870 214 T N 1.140 115.857 114.554 0.271 0.000 2.842 214 T HA 0.424 nan 4.350 nan 0.000 0.308 214 T C -2.197 172.598 174.700 0.158 0.000 1.041 214 T CA -1.965 60.243 62.100 0.179 0.000 0.964 214 T CB 0.811 69.743 68.868 0.107 0.000 0.972 214 T HN -0.615 7.727 8.240 0.269 0.059 0.460 215 P HA 0.148 nan 4.420 nan 0.000 0.272 215 P C -0.345 176.832 177.300 -0.204 0.000 1.223 215 P CA -0.466 62.337 63.100 -0.496 0.000 0.784 215 P CB 0.980 32.344 31.700 -0.560 0.000 0.923 216 T N -4.604 109.861 114.554 -0.149 0.000 3.035 216 T HA -0.016 nan 4.350 nan 0.000 0.259 216 T C 0.216 174.708 174.700 -0.348 0.000 1.078 216 T CA 1.028 63.079 62.100 -0.082 0.000 1.132 216 T CB 0.604 69.560 68.868 0.146 0.000 0.900 216 T HN 0.306 8.408 8.240 -0.230 0.000 0.480 217 H N -1.305 117.689 119.070 -0.127 0.000 2.930 217 H HA 0.323 nan 4.556 nan 0.000 0.371 217 H C -2.440 172.798 175.328 -0.149 0.000 1.169 217 H CA -0.549 55.440 56.048 -0.100 0.000 1.157 217 H CB 3.745 33.490 29.762 -0.028 0.000 1.789 217 H HN -0.598 7.648 8.280 -0.011 0.027 0.547 218 V N 2.882 122.756 119.914 -0.067 0.000 2.447 218 V HA 0.590 nan 4.120 nan 0.000 0.292 218 V C -1.476 174.478 176.094 -0.234 0.000 1.021 218 V CA -0.549 61.643 62.300 -0.179 0.000 0.850 218 V CB 0.848 32.549 31.823 -0.203 0.000 1.005 218 V HN -0.107 7.928 8.190 -0.068 0.114 0.426 219 V N 1.247 121.031 119.914 -0.217 0.000 3.102 219 V HA 0.760 nan 4.120 nan 0.000 0.312 219 V C -1.697 174.323 176.094 -0.123 0.000 1.135 219 V CA -3.084 59.080 62.300 -0.227 0.000 1.022 219 V CB 3.707 35.507 31.823 -0.039 0.000 1.056 219 V HN 0.781 8.834 8.190 -0.229 0.000 0.436 220 F N 0.456 120.326 119.950 -0.135 0.000 2.421 220 F HA 0.530 nan 4.527 nan 0.000 0.337 220 F C 0.673 176.373 175.800 -0.168 0.000 1.105 220 F CA -3.377 54.514 58.000 -0.182 0.000 1.049 220 F CB 1.198 40.091 39.000 -0.179 0.000 1.139 220 F HN -0.032 8.161 8.300 -0.177 0.000 0.479 221 N N 4.562 123.256 118.700 -0.011 0.000 2.727 221 N HA -0.474 nan 4.740 nan 0.000 0.249 221 N C 0.008 175.516 175.510 -0.004 0.000 1.048 221 N CA 1.068 54.078 53.050 -0.067 0.000 0.714 221 N CB -0.487 37.943 38.487 -0.096 0.000 0.959 221 N HN 0.733 9.073 8.380 -0.066 0.000 0.544 222 G N -6.499 102.324 108.800 0.037 0.000 2.212 222 G HA2 -0.371 nan 3.960 nan 0.000 0.266 222 G HA3 -0.371 nan 3.960 nan 0.000 0.266 222 G C -1.513 173.469 174.900 0.138 0.000 0.978 222 G CA 0.340 45.521 45.100 0.135 0.000 0.632 222 G HN 0.331 8.625 8.290 0.008 0.000 0.537 223 A N -2.420 120.436 122.820 0.060 0.000 2.608 223 A HA 0.233 nan 4.320 nan 0.000 0.292 223 A C -1.710 175.862 177.584 -0.020 0.000 1.066 223 A CA -0.583 51.459 52.037 0.009 0.000 0.676 223 A CB 2.023 21.006 19.000 -0.029 0.000 1.277 223 A HN -0.758 7.356 8.150 0.037 0.058 0.413 224 V N -0.323 119.572 119.914 -0.030 0.000 2.599 224 V HA -0.276 nan 4.120 nan 0.000 0.300 224 V C 1.126 177.190 176.094 -0.051 0.000 1.034 224 V CA 2.167 64.439 62.300 -0.048 0.000 1.115 224 V CB -1.003 30.811 31.823 -0.014 0.000 0.934 224 V HN 0.679 8.739 8.190 -0.029 0.112 0.485 225 G N 6.053 114.808 108.800 -0.076 0.000 2.168 225 G HA2 -0.443 nan 3.960 nan 0.000 0.263 225 G HA3 -0.443 nan 3.960 nan 0.000 0.263 225 G C 0.562 175.423 174.900 -0.065 0.000 0.977 225 G CA 0.331 45.386 45.100 -0.076 0.000 0.659 225 G HN 0.732 8.958 8.290 -0.107 0.000 0.533 226 A N 2.417 125.207 122.820 -0.049 0.000 1.873 226 A HA -0.262 nan 4.320 nan 0.000 0.218 226 A C 0.987 178.533 177.584 -0.063 0.000 1.193 226 A CA 2.709 54.722 52.037 -0.040 0.000 0.629 226 A CB -0.156 18.828 19.000 -0.025 0.000 0.826 226 A HN -0.273 7.783 8.150 -0.046 0.066 0.447 227 L N -3.072 118.104 121.223 -0.079 0.000 2.968 227 L HA 0.080 nan 4.340 nan 0.000 0.235 227 L C -1.234 175.536 176.870 -0.167 0.000 1.323 227 L CA -1.357 53.401 54.840 -0.137 0.000 1.159 227 L CB -1.866 40.098 42.059 -0.159 0.000 1.523 227 L HN -0.077 8.127 8.230 -0.043 0.000 0.468 228 T N -7.317 107.153 114.554 -0.141 0.000 2.883 228 T HA 0.545 nan 4.350 nan 0.000 0.296 228 T C 0.864 175.559 174.700 -0.009 0.000 1.117 228 T CA -2.302 59.715 62.100 -0.138 0.000 1.006 228 T CB 3.490 72.174 68.868 -0.306 0.000 1.191 228 T HN -0.454 7.649 8.240 -0.100 0.077 0.508 229 G N 2.869 111.719 108.800 0.083 0.000 2.596 229 G HA2 -0.541 nan 3.960 nan 0.000 0.304 229 G HA3 -0.541 nan 3.960 nan 0.000 0.304 229 G C 0.097 175.023 174.900 0.042 0.000 1.189 229 G CA 1.965 47.107 45.100 0.071 0.000 0.986 229 G HN 0.542 8.945 8.290 0.189 0.000 0.548 230 D N 3.322 123.742 120.400 0.032 0.000 2.311 230 D HA -0.170 nan 4.640 nan 0.000 0.212 230 D C 0.552 176.870 176.300 0.031 0.000 0.972 230 D CA 2.261 56.282 54.000 0.034 0.000 0.887 230 D CB -0.568 40.251 40.800 0.032 0.000 0.915 230 D HN 0.478 8.867 8.370 0.031 0.000 0.497 231 K N -1.703 118.699 120.400 0.003 0.000 2.455 231 K HA 0.118 nan 4.320 nan 0.000 0.206 231 K C -0.530 176.003 176.600 -0.112 0.000 1.027 231 K CA -0.932 55.338 56.287 -0.029 0.000 1.113 231 K CB 0.764 33.243 32.500 -0.034 0.000 0.850 231 K HN -0.631 7.578 8.250 -0.002 0.040 0.503 232 A N -0.082 122.687 122.820 -0.085 0.000 2.462 232 A HA 0.076 nan 4.320 nan 0.000 0.243 232 A C 0.259 177.664 177.584 -0.299 0.000 1.076 232 A CA 0.371 52.320 52.037 -0.148 0.000 0.773 232 A CB 0.698 19.700 19.000 0.003 0.000 1.010 232 A HN -0.384 7.586 8.150 -0.026 0.164 0.493 233 M N 2.728 121.935 119.600 -0.656 0.000 2.228 233 M HA 0.091 nan 4.480 nan 0.000 0.326 233 M C -0.009 175.982 176.300 -0.514 0.000 1.122 233 M CA 0.879 55.574 55.300 -1.009 0.000 1.161 233 M CB 1.405 32.684 32.600 -2.202 0.000 1.437 233 M HN -0.013 7.848 8.290 -0.715 0.000 0.465 234 T N -5.104 109.362 114.554 -0.146 0.000 2.901 234 T HA 0.942 nan 4.350 nan 0.000 0.293 234 T C -1.717 173.094 174.700 0.185 0.000 1.084 234 T CA -2.411 59.732 62.100 0.072 0.000 1.008 234 T CB 3.232 72.155 68.868 0.091 0.000 1.170 234 T HN 0.056 8.292 8.240 -0.007 0.000 0.509 235 A N 0.386 123.218 122.820 0.020 0.000 2.511 235 A HA 0.712 nan 4.320 nan 0.000 0.293 235 A C -2.996 174.513 177.584 -0.125 0.000 1.098 235 A CA -0.074 51.919 52.037 -0.073 0.000 0.643 235 A CB 2.980 21.778 19.000 -0.337 0.000 1.302 235 A HN 0.090 8.226 8.150 -0.023 0.000 0.446 236 A N -2.789 119.981 122.820 -0.083 0.000 2.435 236 A HA 0.771 nan 4.320 nan 0.000 0.304 236 A C -1.194 176.392 177.584 0.004 0.000 1.064 236 A CA -2.055 49.965 52.037 -0.028 0.000 0.727 236 A CB 2.627 21.637 19.000 0.016 0.000 1.284 236 A HN -0.143 8.118 8.150 -0.045 -0.138 0.415 237 V N 1.598 121.535 119.914 0.039 0.000 2.644 237 V HA -0.298 nan 4.120 nan 0.000 0.305 237 V C 0.811 176.936 176.094 0.053 0.000 1.053 237 V CA 2.272 64.618 62.300 0.077 0.000 1.186 237 V CB -1.515 30.350 31.823 0.071 0.000 0.895 237 V HN 0.553 8.664 8.190 0.041 0.104 0.490 238 G N 8.275 117.103 108.800 0.046 0.000 2.234 238 G HA2 -0.321 nan 3.960 nan 0.000 0.235 238 G HA3 -0.321 nan 3.960 nan 0.000 0.235 238 G C -0.626 174.289 174.900 0.025 0.000 0.997 238 G CA -0.405 44.707 45.100 0.020 0.000 0.623 238 G HN 0.869 9.073 8.290 0.058 0.121 0.514 239 E N 2.160 122.392 120.200 0.054 0.000 2.354 239 E HA -0.022 nan 4.350 nan 0.000 0.269 239 E C -1.072 175.552 176.600 0.039 0.000 1.036 239 E CA 0.256 56.690 56.400 0.058 0.000 0.876 239 E CB 0.989 30.736 29.700 0.078 0.000 1.009 239 E HN -0.116 8.094 8.360 0.071 0.192 0.416 240 K N 2.044 122.433 120.400 -0.019 0.000 2.263 240 K HA 0.534 nan 4.320 nan 0.000 0.272 240 K C -1.220 175.252 176.600 -0.212 0.000 1.033 240 K CA -0.538 55.636 56.287 -0.188 0.000 0.884 240 K CB 1.072 33.490 32.500 -0.136 0.000 1.107 240 K HN 0.411 9.038 8.250 0.007 -0.373 0.460 241 V N 5.060 124.819 119.914 -0.257 0.000 2.555 241 V HA 0.720 nan 4.120 nan 0.000 0.302 241 V C -1.904 174.041 176.094 -0.248 0.000 1.038 241 V CA -1.372 60.870 62.300 -0.097 0.000 0.887 241 V CB 3.017 34.983 31.823 0.237 0.000 0.991 241 V HN 0.896 8.894 8.190 -0.320 0.000 0.434 242 L N 6.404 127.501 121.223 -0.211 0.000 2.305 242 L HA 0.828 nan 4.340 nan 0.000 0.284 242 L C -2.130 174.720 176.870 -0.034 0.000 1.013 242 L CA -1.166 53.567 54.840 -0.179 0.000 0.819 242 L CB 3.218 44.995 42.059 -0.469 0.000 1.227 242 L HN 0.551 8.667 8.230 -0.189 0.000 0.417 243 I N 7.557 128.175 120.570 0.081 0.000 2.355 243 I HA 0.394 nan 4.170 nan 0.000 0.288 243 I C -1.350 174.874 176.117 0.180 0.000 0.999 243 I CA -1.008 60.364 61.300 0.121 0.000 1.163 243 I CB 1.123 39.162 38.000 0.065 0.000 1.316 243 I HN 0.878 9.154 8.210 0.109 0.000 0.454 244 V N 7.946 127.961 119.914 0.169 0.000 2.439 244 V HA 0.472 nan 4.120 nan 0.000 0.282 244 V C -1.947 174.337 176.094 0.317 0.000 1.039 244 V CA -1.257 61.182 62.300 0.232 0.000 0.913 244 V CB 0.601 32.520 31.823 0.160 0.000 0.983 244 V HN 1.074 9.348 8.190 0.139 0.000 0.460 245 H N 8.215 127.420 119.070 0.225 0.000 2.679 245 H HA 0.763 nan 4.556 nan 0.000 0.360 245 H C -2.235 173.187 175.328 0.156 0.000 1.105 245 H CA -2.233 53.913 56.048 0.164 0.000 1.196 245 H CB 3.593 33.484 29.762 0.214 0.000 1.636 245 H HN 0.859 9.367 8.280 0.379 0.000 0.531 246 S N 3.888 119.782 115.700 0.323 0.000 2.570 246 S HA 0.763 nan 4.470 nan 0.000 0.286 246 S C -2.076 172.622 174.600 0.164 0.000 1.099 246 S CA -1.662 56.676 58.200 0.230 0.000 0.913 246 S CB 2.850 66.181 63.200 0.217 0.000 1.085 246 S HN 0.682 9.059 8.310 0.112 0.000 0.480 247 Q N 2.062 121.913 119.800 0.084 0.000 2.406 247 Q HA 0.315 nan 4.340 nan 0.000 0.244 247 Q C -1.106 174.888 176.000 -0.010 0.000 0.884 247 Q CA -0.138 55.681 55.803 0.027 0.000 0.813 247 Q CB 3.493 32.241 28.738 0.017 0.000 1.368 247 Q HN 0.125 8.435 8.270 0.068 0.000 0.439 248 A N 7.837 130.631 122.820 -0.043 0.000 2.169 248 A HA -0.010 nan 4.320 nan 0.000 0.212 248 A C 0.405 177.936 177.584 -0.090 0.000 1.153 248 A CA 1.860 53.847 52.037 -0.082 0.000 0.756 248 A CB 0.258 19.171 19.000 -0.145 0.000 0.813 248 A HN 0.799 8.917 8.150 -0.053 0.000 0.471 249 N N -4.310 114.360 118.700 -0.051 0.000 2.129 249 N HA 0.067 nan 4.740 nan 0.000 0.222 249 N C -1.406 174.109 175.510 0.009 0.000 1.303 249 N CA 0.432 53.468 53.050 -0.023 0.000 0.897 249 N CB 3.186 41.670 38.487 -0.005 0.000 1.093 249 N HN -0.144 8.503 8.380 -0.044 -0.294 0.501 250 R N -0.887 119.611 120.500 -0.004 0.000 2.643 250 R HA 0.147 nan 4.340 nan 0.000 0.269 250 R C -1.863 174.404 176.300 -0.054 0.000 1.037 250 R CA -0.803 55.297 56.100 0.001 0.000 0.894 250 R CB 2.465 32.783 30.300 0.030 0.000 1.238 250 R HN -0.554 7.959 8.270 -0.021 -0.256 0.459 251 D N 1.617 121.976 120.400 -0.069 0.000 2.419 251 D HA 0.004 nan 4.640 nan 0.000 0.236 251 D C -0.709 175.448 176.300 -0.237 0.000 1.165 251 D CA 0.821 54.684 54.000 -0.227 0.000 0.882 251 D CB 0.441 41.188 40.800 -0.090 0.000 1.201 251 D HN 0.093 8.459 8.370 -0.007 0.000 0.443 252 T N -0.089 114.201 114.554 -0.440 0.000 2.868 252 T HA 0.384 nan 4.350 nan 0.000 0.306 252 T C -2.592 171.896 174.700 -0.354 0.000 1.224 252 T CA -1.580 60.345 62.100 -0.291 0.000 1.012 252 T CB 2.045 70.781 68.868 -0.220 0.000 1.221 252 T HN 0.562 8.341 8.240 -0.769 0.000 0.499 253 R N 1.200 121.571 120.500 -0.214 0.000 2.629 253 R HA 0.628 nan 4.340 nan 0.000 0.275 253 R C -2.794 173.275 176.300 -0.384 0.000 1.719 253 R CA -3.167 52.830 56.100 -0.170 0.000 1.472 253 R CB 0.125 30.465 30.300 0.068 0.000 1.237 253 R HN 0.309 8.471 8.270 -0.181 0.000 0.589 254 P HA 0.049 nan 4.420 nan 0.000 0.267 254 P C -2.095 174.462 177.300 -1.237 0.000 1.200 254 P CA 0.636 63.102 63.100 -1.056 0.000 0.772 254 P CB 0.317 31.305 31.700 -1.186 0.000 0.855 255 H N 2.829 121.325 119.070 -0.957 0.000 3.026 255 H HA 0.353 nan 4.556 nan 0.000 0.352 255 H C -2.438 172.752 175.328 -0.229 0.000 1.090 255 H CA -0.411 55.295 56.048 -0.571 0.000 1.268 255 H CB 3.788 33.469 29.762 -0.134 0.000 1.816 255 H HN 0.373 8.165 8.280 -0.813 0.000 0.518 256 L N 7.084 128.027 121.223 -0.466 0.000 2.270 256 L HA 0.409 nan 4.340 nan 0.000 0.286 256 L C -1.176 175.582 176.870 -0.187 0.000 1.059 256 L CA -1.333 53.459 54.840 -0.080 0.000 0.839 256 L CB 1.258 43.273 42.059 -0.074 0.000 1.221 256 L HN 0.582 8.440 8.230 -0.621 0.000 0.431 257 I N 7.902 128.570 120.570 0.163 0.000 2.578 257 I HA -0.215 nan 4.170 nan 0.000 0.286 257 I C 0.227 176.449 176.117 0.175 0.000 1.126 257 I CA 1.696 63.146 61.300 0.250 0.000 1.380 257 I CB -1.348 36.839 38.000 0.311 0.000 1.408 257 I HN 0.891 9.267 8.210 0.277 0.000 0.532 258 G N 6.625 115.465 108.800 0.067 0.000 2.218 258 G HA2 -0.277 nan 3.960 nan 0.000 0.216 258 G HA3 -0.277 nan 3.960 nan 0.000 0.216 258 G C -1.008 173.966 174.900 0.122 0.000 0.994 258 G CA -0.463 44.640 45.100 0.005 0.000 0.637 258 G HN 0.328 8.642 8.290 0.040 0.000 0.505 259 G N 0.276 109.066 108.800 -0.016 0.000 3.243 259 G HA2 0.393 nan 3.960 nan 0.000 0.248 259 G HA3 0.393 nan 3.960 nan 0.000 0.248 259 G C -2.953 171.408 174.900 -0.899 0.000 1.267 259 G CA -0.610 44.285 45.100 -0.342 0.000 0.906 259 G HN -0.156 7.905 8.290 -0.077 0.183 0.592 260 H N -3.648 114.875 119.070 -0.912 0.000 2.928 260 H HA 0.211 nan 4.556 nan 0.000 0.285 260 H C -0.887 174.118 175.328 -0.538 0.000 1.438 260 H CA -0.210 55.565 56.048 -0.455 0.000 1.176 260 H CB 3.353 33.002 29.762 -0.189 0.000 1.864 260 H HN -0.107 6.945 8.280 -2.048 0.000 0.567 261 G N -0.769 107.949 108.800 -0.135 0.000 2.800 261 G HA2 0.180 nan 3.960 nan 0.000 0.340 261 G HA3 0.180 nan 3.960 nan 0.000 0.340 261 G C -0.804 173.953 174.900 -0.239 0.000 1.089 261 G CA -0.589 44.244 45.100 -0.446 0.000 1.144 261 G HN 0.465 8.682 8.290 0.055 0.106 0.461 262 D N 7.041 127.427 120.400 -0.023 0.000 2.133 262 D HA -0.273 nan 4.640 nan 0.000 0.195 262 D C 0.172 176.127 176.300 -0.574 0.000 0.997 262 D CA 3.584 57.486 54.000 -0.163 0.000 0.840 262 D CB 0.583 41.423 40.800 0.066 0.000 0.947 262 D HN -0.238 8.233 8.370 0.169 0.000 0.452 263 Y N -4.909 115.262 120.300 -0.215 0.000 2.386 263 Y HA 0.225 nan 4.550 nan 0.000 0.334 263 Y C -2.149 173.382 175.900 -0.615 0.000 1.002 263 Y CA -0.874 56.940 58.100 -0.476 0.000 1.068 263 Y CB 3.440 41.523 38.460 -0.629 0.000 1.203 263 Y HN -0.524 7.775 8.280 0.038 0.004 0.443 264 V N 2.011 121.597 119.914 -0.547 0.000 2.443 264 V HA 0.575 nan 4.120 nan 0.000 0.293 264 V C -1.159 174.694 176.094 -0.401 0.000 1.021 264 V CA -0.942 61.048 62.300 -0.518 0.000 0.848 264 V CB 2.355 33.763 31.823 -0.691 0.000 0.998 264 V HN 1.196 8.976 8.190 -0.502 0.109 0.424 265 W N 7.035 128.330 121.300 -0.008 0.000 2.085 265 W HA 0.288 nan 4.660 nan 0.000 0.392 265 W C 0.159 176.671 176.519 -0.011 0.000 0.862 265 W CA -0.826 56.536 57.345 0.028 0.000 1.542 265 W CB -1.288 28.230 29.460 0.097 0.000 1.672 265 W HN 0.976 9.344 8.180 0.313 0.000 0.309 266 A N 4.552 127.439 122.820 0.111 0.000 1.940 266 A HA -0.345 nan 4.320 nan 0.000 0.219 266 A C 0.683 178.348 177.584 0.135 0.000 1.176 266 A CA 3.258 55.385 52.037 0.149 0.000 0.631 266 A CB -0.455 18.644 19.000 0.164 0.000 0.814 266 A HN -0.246 7.891 8.150 0.031 0.031 0.446 267 T N -7.316 107.298 114.554 0.100 0.000 3.085 267 T HA -0.030 nan 4.350 nan 0.000 0.263 267 T C 1.500 176.169 174.700 -0.052 0.000 1.127 267 T CA -0.221 61.903 62.100 0.040 0.000 1.103 267 T CB -0.331 68.556 68.868 0.032 0.000 0.921 267 T HN -0.099 8.208 8.240 0.112 0.000 0.510 268 G N 1.331 110.112 108.800 -0.031 0.000 2.162 268 G HA2 -0.453 nan 3.960 nan 0.000 0.260 268 G HA3 -0.453 nan 3.960 nan 0.000 0.260 268 G C -1.424 173.135 174.900 -0.568 0.000 0.976 268 G CA 0.782 45.751 45.100 -0.218 0.000 0.655 268 G HN -0.400 7.752 8.290 0.094 0.194 0.533 269 K N 0.324 120.503 120.400 -0.367 0.000 2.293 269 K HA 0.412 nan 4.320 nan 0.000 0.267 269 K C 0.343 176.803 176.600 -0.233 0.000 1.010 269 K CA -2.964 53.060 56.287 -0.438 0.000 0.875 269 K CB 0.080 32.452 32.500 -0.214 0.000 1.106 269 K HN -0.742 7.381 8.250 -0.130 0.050 0.450 270 F N 4.223 124.090 119.950 -0.138 0.000 2.333 270 F HA -0.373 nan 4.527 nan 0.000 0.300 270 F C 1.186 177.019 175.800 0.055 0.000 1.083 270 F CA 2.830 60.729 58.000 -0.167 0.000 1.395 270 F CB -0.025 38.794 39.000 -0.303 0.000 1.056 270 F HN -0.020 7.796 8.300 -0.805 0.000 0.529 271 N N -2.639 116.171 118.700 0.184 0.000 2.467 271 N HA -0.028 nan 4.740 nan 0.000 0.184 271 N C -0.004 175.598 175.510 0.152 0.000 1.106 271 N CA 0.824 53.967 53.050 0.155 0.000 0.892 271 N CB 0.432 38.982 38.487 0.105 0.000 0.969 271 N HN -0.091 8.324 8.380 0.106 0.029 0.454 272 T N 3.870 118.530 114.554 0.177 0.000 2.733 272 T HA 0.391 nan 4.350 nan 0.000 0.294 272 T C -2.428 172.412 174.700 0.234 0.000 0.956 272 T CA -1.561 60.633 62.100 0.157 0.000 0.987 272 T CB 0.357 69.297 68.868 0.120 0.000 0.920 272 T HN -0.566 7.616 8.240 0.193 0.174 0.470 273 P HA 0.005 nan 4.420 nan 0.000 0.263 273 P C -2.240 175.069 177.300 0.015 0.000 1.175 273 P CA -1.127 62.047 63.100 0.124 0.000 0.761 273 P CB -0.009 31.730 31.700 0.066 0.000 0.794 274 P HA 0.015 nan 4.420 nan 0.000 0.274 274 P C -1.197 175.947 177.300 -0.260 0.000 1.231 274 P CA -0.642 62.164 63.100 -0.489 0.000 0.790 274 P CB 1.177 32.162 31.700 -1.192 0.000 0.951 275 D N 0.159 120.410 120.400 -0.249 0.000 2.329 275 D HA 0.194 nan 4.640 nan 0.000 0.246 275 D C 0.028 176.176 176.300 -0.253 0.000 1.111 275 D CA -0.425 53.469 54.000 -0.176 0.000 0.941 275 D CB 1.740 42.470 40.800 -0.116 0.000 1.169 275 D HN 0.185 8.301 8.370 -0.278 0.088 0.441 276 V N -5.934 113.842 119.914 -0.230 0.000 2.960 276 V HA 0.393 nan 4.120 nan 0.000 0.315 276 V C -0.840 175.106 176.094 -0.247 0.000 1.087 276 V CA -2.241 59.858 62.300 -0.334 0.000 0.982 276 V CB 3.133 34.725 31.823 -0.385 0.000 1.039 276 V HN -0.168 7.921 8.190 -0.167 0.000 0.437 277 D N -0.757 119.476 120.400 -0.279 0.000 2.751 277 D HA -0.364 nan 4.640 nan 0.000 0.233 277 D C 0.019 176.271 176.300 -0.079 0.000 1.149 277 D CA 1.744 55.623 54.000 -0.201 0.000 0.682 277 D CB -1.608 39.073 40.800 -0.199 0.000 1.068 277 D HN 0.063 8.104 8.370 -0.383 0.099 0.429 278 Q N -1.949 117.820 119.800 -0.051 0.000 2.332 278 Q HA -0.012 nan 4.340 nan 0.000 0.263 278 Q C 1.125 177.307 176.000 0.303 0.000 0.979 278 Q CA -0.032 55.836 55.803 0.108 0.000 0.885 278 Q CB 0.515 29.301 28.738 0.079 0.000 1.218 278 Q HN -0.307 7.856 8.270 -0.153 0.016 0.405 279 E N 3.203 123.598 120.200 0.324 0.000 2.099 279 E HA -0.096 nan 4.350 nan 0.000 0.191 279 E C -0.845 175.995 176.600 0.400 0.000 0.962 279 E CA 1.475 58.078 56.400 0.340 0.000 0.826 279 E CB 0.589 30.451 29.700 0.270 0.000 0.788 279 E HN 0.418 8.930 8.360 0.252 0.000 0.461 280 T N 0.531 115.292 114.554 0.345 0.000 2.991 280 T HA 0.335 nan 4.350 nan 0.000 0.303 280 T C -1.622 173.241 174.700 0.272 0.000 1.015 280 T CA -0.734 61.457 62.100 0.152 0.000 1.007 280 T CB 1.274 70.133 68.868 -0.014 0.000 1.034 280 T HN -0.534 7.884 8.240 0.297 0.000 0.446 281 W N 4.508 125.857 121.300 0.081 0.000 2.703 281 W HA 0.346 nan 4.660 nan 0.000 0.359 281 W C -2.307 174.310 176.519 0.162 0.000 1.168 281 W CA -2.605 54.798 57.345 0.096 0.000 1.177 281 W CB 1.558 31.058 29.460 0.067 0.000 1.434 281 W HN 0.205 8.003 8.180 -0.636 0.000 0.618 282 F N 0.157 120.222 119.950 0.192 0.000 2.547 282 F HA 0.406 nan 4.527 nan 0.000 0.316 282 F C -1.522 174.333 175.800 0.092 0.000 1.121 282 F CA -1.670 56.366 58.000 0.060 0.000 0.911 282 F CB 3.471 42.498 39.000 0.044 0.000 1.179 282 F HN -0.312 8.302 8.300 0.524 0.000 0.443 283 I N 6.983 127.237 120.570 -0.527 0.000 2.439 283 I HA 0.442 nan 4.170 nan 0.000 0.283 283 I C -2.247 173.487 176.117 -0.639 0.000 1.023 283 I CA -3.436 57.651 61.300 -0.356 0.000 1.100 283 I CB 3.316 41.217 38.000 -0.164 0.000 1.238 283 I HN 0.744 8.464 8.210 -0.817 0.000 0.445 284 P HA 0.132 nan 4.420 nan 0.000 0.272 284 P C -0.195 177.025 177.300 -0.132 0.000 1.223 284 P CA -0.689 62.262 63.100 -0.249 0.000 0.784 284 P CB 0.423 32.138 31.700 0.025 0.000 0.923 285 G N -0.910 107.841 108.800 -0.081 0.000 2.353 285 G HA2 -0.415 nan 3.960 nan 0.000 0.239 285 G HA3 -0.415 nan 3.960 nan 0.000 0.239 285 G C 0.089 175.001 174.900 0.020 0.000 1.295 285 G CA 0.024 45.106 45.100 -0.030 0.000 0.884 285 G HN -0.037 8.536 8.290 -0.064 -0.322 0.537 286 G N 2.444 111.270 108.800 0.043 0.000 2.159 286 G HA2 -0.441 nan 3.960 nan 0.000 0.227 286 G HA3 -0.441 nan 3.960 nan 0.000 0.227 286 G C -1.742 173.281 174.900 0.204 0.000 0.986 286 G CA -0.053 45.136 45.100 0.149 0.000 0.651 286 G HN 0.723 8.851 8.290 0.015 0.170 0.523 287 A N -1.959 120.920 122.820 0.100 0.000 2.530 287 A HA 0.777 nan 4.320 nan 0.000 0.288 287 A C -2.762 174.852 177.584 0.050 0.000 1.172 287 A CA -1.637 50.454 52.037 0.090 0.000 0.733 287 A CB 3.213 22.241 19.000 0.045 0.000 1.320 287 A HN -0.555 7.580 8.150 0.045 0.042 0.419 288 A N -2.345 120.489 122.820 0.024 0.000 2.413 288 A HA 1.001 nan 4.320 nan 0.000 0.307 288 A C -1.590 176.009 177.584 0.025 0.000 1.087 288 A CA -1.898 50.167 52.037 0.046 0.000 0.750 288 A CB 2.609 21.621 19.000 0.020 0.000 1.296 288 A HN 0.340 8.480 8.150 -0.018 0.000 0.423 289 G N -2.683 106.187 108.800 0.116 0.000 2.733 289 G HA2 0.716 nan 3.960 nan 0.000 0.288 289 G HA3 0.716 nan 3.960 nan 0.000 0.288 289 G C -3.052 171.987 174.900 0.232 0.000 1.373 289 G CA -1.207 43.986 45.100 0.155 0.000 0.895 289 G HN 0.486 8.887 8.290 0.184 0.000 0.479 290 A N -2.391 120.605 122.820 0.293 0.000 2.488 290 A HA 0.992 nan 4.320 nan 0.000 0.298 290 A C -2.947 174.866 177.584 0.380 0.000 1.044 290 A CA -1.096 51.161 52.037 0.367 0.000 0.693 290 A CB 3.294 22.537 19.000 0.404 0.000 1.272 290 A HN -0.032 8.297 8.150 0.299 0.000 0.402 291 A N 2.122 125.102 122.820 0.267 0.000 2.356 291 A HA 0.999 nan 4.320 nan 0.000 0.310 291 A C -2.894 174.830 177.584 0.232 0.000 1.075 291 A CA -1.933 50.138 52.037 0.056 0.000 0.746 291 A CB 2.949 21.778 19.000 -0.286 0.000 1.221 291 A HN 0.708 9.029 8.150 0.286 0.000 0.443 292 F N 5.520 125.536 119.950 0.110 0.000 2.444 292 F HA 0.888 nan 4.527 nan 0.000 0.342 292 F C -2.776 173.121 175.800 0.161 0.000 1.121 292 F CA -1.804 56.310 58.000 0.190 0.000 0.997 292 F CB 3.442 42.620 39.000 0.296 0.000 1.130 292 F HN 0.592 9.054 8.300 0.270 0.000 0.454 293 Y N 8.152 128.365 120.300 -0.145 0.000 2.513 293 Y HA 0.416 nan 4.550 nan 0.000 0.340 293 Y C -2.724 173.003 175.900 -0.287 0.000 1.055 293 Y CA -1.203 56.786 58.100 -0.186 0.000 1.020 293 Y CB 4.363 42.584 38.460 -0.399 0.000 1.301 293 Y HN 0.721 8.842 8.280 -0.266 0.000 0.453 294 T N 9.112 123.197 114.554 -0.782 0.000 2.756 294 T HA 0.381 nan 4.350 nan 0.000 0.290 294 T C -0.869 173.203 174.700 -1.047 0.000 0.985 294 T CA -0.190 61.545 62.100 -0.609 0.000 0.955 294 T CB 0.114 68.835 68.868 -0.244 0.000 0.930 294 T HN 0.083 8.152 8.240 -0.785 -0.300 0.451 295 F N 6.583 126.167 119.950 -0.609 0.000 2.529 295 F HA -0.101 nan 4.527 nan 0.000 0.365 295 F C 1.015 176.677 175.800 -0.230 0.000 1.102 295 F CA 1.266 59.024 58.000 -0.404 0.000 1.271 295 F CB 0.719 39.601 39.000 -0.196 0.000 1.120 295 F HN 0.235 8.470 8.300 -0.109 0.000 0.579 296 Q N 1.938 121.770 119.800 0.053 0.000 2.280 296 Q HA 0.186 nan 4.340 nan 0.000 0.244 296 Q C 0.209 176.231 176.000 0.037 0.000 0.847 296 Q CA -0.390 55.424 55.803 0.018 0.000 0.945 296 Q CB 1.538 30.261 28.738 -0.024 0.000 1.115 296 Q HN 0.572 8.914 8.270 0.120 0.000 0.513 297 Q N -1.485 118.425 119.800 0.183 0.000 2.372 297 Q HA 0.525 nan 4.340 nan 0.000 0.273 297 Q C -2.751 173.450 176.000 0.336 0.000 1.078 297 Q CA -3.011 52.850 55.803 0.097 0.000 0.806 297 Q CB 2.328 31.023 28.738 -0.072 0.000 1.332 297 Q HN -0.835 7.660 8.270 0.376 0.000 0.435 298 P HA 0.408 nan 4.420 nan 0.000 0.279 298 P C -0.585 176.945 177.300 0.383 0.000 1.276 298 P CA -1.030 62.263 63.100 0.321 0.000 0.801 298 P CB 1.155 33.018 31.700 0.271 0.000 1.127 299 G N -2.368 106.607 108.800 0.291 0.000 2.434 299 G HA2 -0.249 nan 3.960 nan 0.000 0.671 299 G HA3 -0.249 nan 3.960 nan 0.000 0.671 299 G C -2.519 172.525 174.900 0.241 0.000 1.280 299 G CA -0.651 44.575 45.100 0.211 0.000 0.975 299 G HN 0.100 8.435 8.290 0.241 0.098 0.510 300 I N -2.235 118.413 120.570 0.129 0.000 2.396 300 I HA 0.744 nan 4.170 nan 0.000 0.292 300 I C -1.127 175.080 176.117 0.151 0.000 0.999 300 I CA -1.548 59.854 61.300 0.169 0.000 1.310 300 I CB 0.417 38.424 38.000 0.012 0.000 1.404 300 I HN -0.052 8.194 8.210 0.059 0.000 0.496 301 Y N 4.653 125.074 120.300 0.201 0.000 2.587 301 Y HA 0.409 nan 4.550 nan 0.000 0.337 301 Y C -1.353 174.738 175.900 0.318 0.000 1.065 301 Y CA -1.898 56.359 58.100 0.263 0.000 1.126 301 Y CB 3.944 42.612 38.460 0.347 0.000 1.279 301 Y HN 0.709 9.244 8.280 0.605 0.108 0.489 302 A N -0.719 122.406 122.820 0.508 0.000 2.330 302 A HA 0.486 nan 4.320 nan 0.000 0.313 302 A C -2.826 175.072 177.584 0.523 0.000 1.124 302 A CA -1.667 50.700 52.037 0.550 0.000 0.774 302 A CB 2.552 21.838 19.000 0.477 0.000 1.198 302 A HN 0.485 8.910 8.150 0.460 0.000 0.465 303 Y N 6.280 126.820 120.300 0.400 0.000 2.342 303 Y HA 0.607 nan 4.550 nan 0.000 0.338 303 Y C -2.312 173.773 175.900 0.307 0.000 0.965 303 Y CA -1.119 57.170 58.100 0.315 0.000 1.159 303 Y CB 1.618 40.288 38.460 0.349 0.000 1.157 303 Y HN 0.553 9.091 8.280 0.632 0.121 0.486 304 V N 1.919 121.741 119.914 -0.152 0.000 3.130 304 V HA 0.648 nan 4.120 nan 0.000 0.310 304 V C -2.694 173.279 176.094 -0.201 0.000 1.158 304 V CA -3.584 58.643 62.300 -0.121 0.000 1.029 304 V CB 4.182 35.853 31.823 -0.254 0.000 1.057 304 V HN 0.809 8.845 8.190 -0.256 0.000 0.436 305 N N 1.035 119.655 118.700 -0.134 0.000 2.406 305 N HA 0.043 nan 4.740 nan 0.000 0.251 305 N C -0.018 175.390 175.510 -0.170 0.000 1.069 305 N CA -0.393 52.575 53.050 -0.136 0.000 0.947 305 N CB 0.400 38.813 38.487 -0.124 0.000 1.111 305 N HN -0.288 7.968 8.380 -0.208 0.000 0.497 306 H N 5.789 124.746 119.070 -0.188 0.000 2.606 306 H HA -0.184 nan 4.556 nan 0.000 0.283 306 H C -0.345 174.918 175.328 -0.107 0.000 1.084 306 H CA 0.914 56.868 56.048 -0.156 0.000 1.191 306 H CB -0.429 29.215 29.762 -0.198 0.000 1.289 306 H HN 0.696 8.828 8.280 -0.054 0.116 0.628 307 N N 0.831 119.515 118.700 -0.027 0.000 2.589 307 N HA 0.066 nan 4.740 nan 0.000 0.232 307 N C 0.148 175.606 175.510 -0.087 0.000 1.015 307 N CA -1.782 51.264 53.050 -0.008 0.000 0.931 307 N CB -0.292 38.186 38.487 -0.015 0.000 1.150 307 N HN -0.626 7.833 8.380 -0.083 -0.128 0.512 308 L N 4.235 125.412 121.223 -0.076 0.000 2.263 308 L HA -0.392 nan 4.340 nan 0.000 0.216 308 L C 1.554 178.436 176.870 0.021 0.000 1.111 308 L CA 2.829 57.649 54.840 -0.033 0.000 0.773 308 L CB -0.272 41.816 42.059 0.048 0.000 0.906 308 L HN 0.249 8.467 8.230 -0.022 0.000 0.439 309 I N -1.086 119.478 120.570 -0.010 0.000 2.286 309 I HA -0.550 nan 4.170 nan 0.000 0.245 309 I C 1.925 178.001 176.117 -0.069 0.000 1.104 309 I CA 4.036 65.329 61.300 -0.012 0.000 1.397 309 I CB -0.476 37.514 38.000 -0.015 0.000 1.072 309 I HN -0.169 8.172 8.210 -0.014 -0.140 0.417 310 E N -0.488 119.646 120.200 -0.110 0.000 2.072 310 E HA -0.372 nan 4.350 nan 0.000 0.191 310 E C 2.436 178.874 176.600 -0.270 0.000 0.985 310 E CA 3.257 59.558 56.400 -0.165 0.000 0.801 310 E CB -0.298 29.312 29.700 -0.150 0.000 0.750 310 E HN -0.535 7.940 8.360 -0.090 -0.169 0.452 311 A N -0.453 122.153 122.820 -0.356 0.000 1.855 311 A HA -0.152 nan 4.320 nan 0.000 0.215 311 A C 2.258 179.416 177.584 -0.710 0.000 1.191 311 A CA 2.928 54.576 52.037 -0.649 0.000 0.613 311 A CB -0.221 18.247 19.000 -0.887 0.000 0.829 311 A HN 0.066 8.046 8.150 -0.283 0.000 0.442 312 F N -5.111 114.762 119.950 -0.130 0.000 2.746 312 F HA -0.030 nan 4.527 nan 0.000 0.297 312 F C 1.397 177.148 175.800 -0.081 0.000 1.113 312 F CA 1.937 59.880 58.000 -0.094 0.000 1.367 312 F CB 0.830 39.785 39.000 -0.076 0.000 1.111 312 F HN 0.122 8.192 8.300 -0.188 0.117 0.590 313 E N -1.490 118.728 120.200 0.030 0.000 2.306 313 E HA 0.064 nan 4.350 nan 0.000 0.201 313 E C 1.241 177.804 176.600 -0.063 0.000 0.874 313 E CA 0.730 57.129 56.400 -0.002 0.000 0.972 313 E CB 1.072 30.765 29.700 -0.011 0.000 0.957 313 E HN 0.007 8.255 8.360 -0.023 0.098 0.492 314 L N -2.929 118.228 121.223 -0.111 0.000 2.375 314 L HA 0.089 nan 4.340 nan 0.000 0.215 314 L C 0.872 177.655 176.870 -0.144 0.000 1.108 314 L CA -0.116 54.637 54.840 -0.145 0.000 0.830 314 L CB 0.944 42.910 42.059 -0.154 0.000 0.959 314 L HN -0.119 8.041 8.230 -0.118 0.000 0.457 315 G N -3.456 105.225 108.800 -0.198 0.000 2.205 315 G HA2 -0.277 nan 3.960 nan 0.000 0.180 315 G HA3 -0.277 nan 3.960 nan 0.000 0.180 315 G C -0.999 173.626 174.900 -0.458 0.000 1.004 315 G CA -0.207 44.752 45.100 -0.235 0.000 0.670 315 G HN -0.463 7.696 8.290 -0.218 0.000 0.496 316 A N 1.719 124.173 122.820 -0.611 0.000 3.063 316 A HA 0.232 nan 4.320 nan 0.000 0.263 316 A C -2.438 174.507 177.584 -1.065 0.000 1.736 316 A CA -0.808 50.563 52.037 -1.109 0.000 1.408 316 A CB -1.312 17.184 19.000 -0.840 0.000 1.108 316 A HN -0.209 7.654 8.150 -0.479 0.000 0.621 317 A N 0.410 122.761 122.820 -0.781 0.000 2.455 317 A HA 0.890 nan 4.320 nan 0.000 0.300 317 A C -2.668 174.911 177.584 -0.008 0.000 1.040 317 A CA -0.816 51.035 52.037 -0.310 0.000 0.697 317 A CB 3.204 21.963 19.000 -0.402 0.000 1.265 317 A HN -0.368 7.300 8.150 -0.717 0.052 0.407 318 A N 1.579 124.547 122.820 0.247 0.000 2.485 318 A HA 0.977 nan 4.320 nan 0.000 0.292 318 A C -1.956 175.729 177.584 0.169 0.000 1.147 318 A CA -1.581 50.538 52.037 0.138 0.000 0.750 318 A CB 3.069 22.216 19.000 0.246 0.000 1.331 318 A HN 0.732 9.097 8.150 0.359 0.000 0.419 319 H N -2.582 116.544 119.070 0.092 0.000 2.834 319 H HA 0.756 nan 4.556 nan 0.000 0.369 319 H C -1.759 173.572 175.328 0.004 0.000 1.174 319 H CA -2.785 53.352 56.048 0.148 0.000 1.165 319 H CB 4.774 34.607 29.762 0.119 0.000 1.820 319 H HN 0.484 8.719 8.280 -0.076 0.000 0.558 320 F N -1.111 118.985 119.950 0.244 0.000 2.547 320 F HA 0.382 nan 4.527 nan 0.000 0.316 320 F C -1.621 174.245 175.800 0.110 0.000 1.121 320 F CA -0.969 57.076 58.000 0.074 0.000 0.911 320 F CB 4.040 43.056 39.000 0.026 0.000 1.179 320 F HN 0.314 8.966 8.300 0.588 0.000 0.443 321 K N 4.240 124.754 120.400 0.189 0.000 2.339 321 K HA 0.639 nan 4.320 nan 0.000 0.264 321 K C -1.637 175.011 176.600 0.080 0.000 0.986 321 K CA -0.848 55.526 56.287 0.144 0.000 0.866 321 K CB 1.336 33.889 32.500 0.089 0.000 1.103 321 K HN 0.739 9.044 8.250 0.092 0.000 0.441 322 V N 5.808 125.776 119.914 0.091 0.000 2.459 322 V HA 0.659 nan 4.120 nan 0.000 0.295 322 V C -0.416 175.718 176.094 0.067 0.000 1.029 322 V CA -1.801 60.488 62.300 -0.019 0.000 0.874 322 V CB 2.205 33.943 31.823 -0.142 0.000 0.985 322 V HN 0.531 8.730 8.190 0.194 0.107 0.438 323 T N 3.441 118.018 114.554 0.038 0.000 2.927 323 T HA 0.657 nan 4.350 nan 0.000 0.281 323 T C -0.710 174.034 174.700 0.074 0.000 0.998 323 T CA -2.205 59.934 62.100 0.065 0.000 1.019 323 T CB 1.878 70.776 68.868 0.050 0.000 1.061 323 T HN 0.508 8.747 8.240 -0.002 0.000 0.518 324 G N -1.171 107.682 108.800 0.088 0.000 2.359 324 G HA2 -0.129 nan 3.960 nan 0.000 0.303 324 G HA3 -0.129 nan 3.960 nan 0.000 0.303 324 G C -2.545 172.424 174.900 0.116 0.000 1.293 324 G CA -0.444 44.709 45.100 0.088 0.000 0.964 324 G HN -0.098 8.246 8.290 0.091 0.000 0.531 325 E N -0.144 120.118 120.200 0.104 0.000 2.231 325 E HA 0.167 nan 4.350 nan 0.000 0.277 325 E C -0.982 175.715 176.600 0.161 0.000 0.999 325 E CA -1.766 54.712 56.400 0.131 0.000 0.827 325 E CB 1.521 31.276 29.700 0.090 0.000 1.101 325 E HN 0.029 8.436 8.360 0.079 0.000 0.393 326 W N 3.441 124.773 121.300 0.053 0.000 2.216 326 W HA -0.161 nan 4.660 nan 0.000 0.326 326 W C -1.323 175.228 176.519 0.054 0.000 1.319 326 W CA -0.246 57.133 57.345 0.057 0.000 1.213 326 W CB 0.876 30.363 29.460 0.044 0.000 1.171 326 W HN 0.120 8.514 8.180 0.356 0.000 0.557 327 N N 7.958 126.226 118.700 -0.720 0.000 2.546 327 N HA 0.166 nan 4.740 nan 0.000 0.238 327 N C -0.248 175.002 175.510 -0.434 0.000 0.984 327 N CA -0.988 51.808 53.050 -0.423 0.000 0.935 327 N CB 0.992 39.275 38.487 -0.340 0.000 1.122 327 N HN 0.340 8.327 8.380 -1.299 -0.386 0.510 328 D N 6.902 127.286 120.400 -0.027 0.000 2.312 328 D HA -0.191 nan 4.640 nan 0.000 0.211 328 D C 0.387 176.734 176.300 0.079 0.000 0.964 328 D CA 2.644 56.743 54.000 0.164 0.000 0.877 328 D CB 0.220 41.155 40.800 0.225 0.000 0.924 328 D HN 0.402 8.798 8.370 0.043 0.000 0.515 329 D N -0.461 119.944 120.400 0.008 0.000 2.123 329 D HA -0.096 nan 4.640 nan 0.000 0.200 329 D C 1.620 177.918 176.300 -0.004 0.000 0.976 329 D CA 1.715 55.720 54.000 0.008 0.000 0.831 329 D CB 0.387 41.182 40.800 -0.007 0.000 0.974 329 D HN -0.500 8.017 8.370 -0.024 -0.161 0.469 330 L N -2.381 118.807 121.223 -0.057 0.000 2.056 330 L HA -0.241 nan 4.340 nan 0.000 0.207 330 L C 0.763 177.631 176.870 -0.002 0.000 1.078 330 L CA 1.389 56.196 54.840 -0.055 0.000 0.749 330 L CB 0.776 42.760 42.059 -0.125 0.000 0.901 330 L HN -0.574 7.856 8.230 -0.104 -0.262 0.433 331 M N -4.492 115.122 119.600 0.023 0.000 2.414 331 M HA 0.143 nan 4.480 nan 0.000 0.287 331 M C -2.569 173.960 176.300 0.381 0.000 1.181 331 M CA 0.500 55.914 55.300 0.189 0.000 0.933 331 M CB 3.583 36.336 32.600 0.256 0.000 1.732 331 M HN -0.687 7.573 8.290 -0.050 0.000 0.486 332 T N 3.091 117.820 114.554 0.291 0.000 3.012 332 T HA 0.147 nan 4.350 nan 0.000 0.330 332 T C -1.109 173.670 174.700 0.132 0.000 1.321 332 T CA -0.105 62.149 62.100 0.257 0.000 1.067 332 T CB 2.113 71.105 68.868 0.206 0.000 1.235 332 T HN 0.064 8.429 8.240 0.208 0.000 0.479 333 S N 5.820 121.561 115.700 0.067 0.000 2.416 333 S HA 0.144 nan 4.470 nan 0.000 0.302 333 S C 0.981 175.595 174.600 0.024 0.000 1.120 333 S CA -0.396 57.817 58.200 0.022 0.000 1.067 333 S CB 0.244 63.425 63.200 -0.031 0.000 1.057 333 S HN 0.400 8.738 8.310 0.047 0.000 0.518 334 V N 7.021 126.954 119.914 0.031 0.000 2.453 334 V HA -0.126 nan 4.120 nan 0.000 0.247 334 V C 0.074 176.176 176.094 0.013 0.000 1.048 334 V CA 1.027 63.343 62.300 0.027 0.000 1.049 334 V CB 0.242 32.082 31.823 0.029 0.000 0.672 334 V HN 0.354 8.566 8.190 0.037 0.000 0.457 335 L N -1.065 120.162 121.223 0.008 0.000 2.491 335 L HA 0.194 nan 4.340 nan 0.000 0.267 335 L C -0.974 175.892 176.870 -0.007 0.000 0.971 335 L CA -0.301 54.539 54.840 0.000 0.000 0.857 335 L CB 2.138 44.198 42.059 0.002 0.000 1.226 335 L HN -0.746 7.475 8.230 0.010 0.015 0.408 336 A N 7.226 130.036 122.820 -0.016 0.000 2.466 336 A HA 0.254 nan 4.320 nan 0.000 0.238 336 A C -1.865 175.707 177.584 -0.021 0.000 1.074 336 A CA -1.518 50.504 52.037 -0.025 0.000 0.774 336 A CB -0.769 18.210 19.000 -0.035 0.000 1.015 336 A HN 0.075 8.215 8.150 -0.016 0.000 0.498 337 P HA -0.130 nan 4.420 nan 0.000 0.258 337 P C -1.579 175.710 177.300 -0.018 0.000 1.172 337 P CA 1.268 64.357 63.100 -0.020 0.000 0.762 337 P CB -0.581 31.105 31.700 -0.024 0.000 0.764 338 S N 2.513 118.205 115.700 -0.014 0.000 2.688 338 S HA 0.196 nan 4.470 nan 0.000 0.275 338 S C -0.236 174.358 174.600 -0.010 0.000 1.175 338 S CA -0.706 57.487 58.200 -0.012 0.000 0.818 338 S CB 1.343 64.536 63.200 -0.011 0.000 1.157 338 S HN -0.257 8.046 8.310 -0.012 0.000 0.482 339 G N 0.000 108.795 108.800 -0.009 0.000 5.446 339 G HA2 0.000 nan 3.960 nan 0.000 0.244 339 G HA3 0.000 nan 3.960 nan 0.000 0.244 339 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 339 G HN 0.000 8.285 8.290 -0.009 0.000 0.925