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 2rfw_1_D DATA FIRST_RESID 2 DATA SEQUENCE RAGNETPENH PPLTWQRcTA PGNcQTVNAE VVIDANWRWL HDDNMQNcYD DATA SEQUENCE GNQWTNACST ATDCAEKcMI EGAGDYLGTY GASTSGDALT LKFVTKHEYG DATA SEQUENCE TNVGSRFYLM NGPDKYQMFN LMGNELAFDV DLSTVEcGIN SALYFVAMEE DATA SEQUENCE DGGMASYPSN QAGARYGTGY cDAQcARDLK FVGGKANIEG WKSSTSDPNA DATA SEQUENCE GVGPYGSccA EIDVWESNAY AFAFTPHAcT TNEYHVcETT NcGGTYSEDR DATA SEQUENCE FAGKcDANGc DYNPYRMGNP DFYGKGKTLD TSRKFTVVSR FEENKLSQYF DATA SEQUENCE IQDGRKIEIP PPTWEGMPNS SEITPELcST MFDVFNDRNR FEEVGGFEQL DATA SEQUENCE NNALRVPMVL VMSIWDDHYA NMLWLDSIYP PEKEGQPGAA RGDcPTDSGV DATA SEQUENCE PAEVEAQFPD AQVVWSNIRF GPIGSTYDF 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.059 176.300 -0.402 0.000 0.893 2 R CA 0.000 55.930 56.100 -0.283 0.000 0.921 2 R CB 0.000 30.175 30.300 -0.208 0.000 0.687 3 A N 0.664 123.240 122.820 -0.406 0.000 2.310 3 A HA 0.725 4.339 4.320 -1.177 0.000 0.299 3 A C 0.396 177.762 177.584 -0.363 0.000 1.147 3 A CA 0.132 51.809 52.037 -0.600 0.000 0.818 3 A CB 0.890 19.483 19.000 -0.677 0.000 1.096 3 A HN 0.742 nan 8.150 nan 0.000 0.495 4 G N 0.179 108.765 108.800 -0.357 0.000 2.580 4 G HA2 0.408 3.662 3.960 -1.177 0.000 0.278 4 G HA3 0.408 3.662 3.960 -1.177 0.000 0.278 4 G C 0.027 174.904 174.900 -0.038 0.000 1.212 4 G CA -0.583 44.388 45.100 -0.216 0.000 0.939 4 G HN 0.776 nan 8.290 nan 0.000 0.513 5 N N -0.380 118.339 118.700 0.032 0.000 2.433 5 N HA 0.097 4.131 4.740 -1.177 0.000 0.270 5 N C -0.038 175.531 175.510 0.097 0.000 1.354 5 N CA -0.084 53.003 53.050 0.061 0.000 0.889 5 N CB 1.574 40.082 38.487 0.034 0.000 1.285 5 N HN 0.373 nan 8.380 nan 0.000 0.503 6 E N 0.342 120.633 120.200 0.151 0.000 2.244 6 E HA 0.146 3.790 4.350 -1.177 0.000 0.196 6 E C -0.131 176.588 176.600 0.198 0.000 0.939 6 E CA 1.027 57.540 56.400 0.188 0.000 0.884 6 E CB 0.552 30.420 29.700 0.279 0.000 0.850 6 E HN 0.017 nan 8.360 nan 0.000 0.481 7 T N 2.755 117.442 114.554 0.222 0.000 2.906 7 T HA 0.436 4.080 4.350 -1.177 0.000 0.302 7 T C -2.766 172.031 174.700 0.162 0.000 1.002 7 T CA -1.676 60.541 62.100 0.195 0.000 0.988 7 T CB 1.967 70.988 68.868 0.255 0.000 0.972 7 T HN -0.178 nan 8.240 nan 0.000 0.447 8 P HA 0.323 nan 4.420 nan 0.000 0.271 8 P C -0.447 176.880 177.300 0.046 0.000 1.218 8 P CA -0.457 62.688 63.100 0.076 0.000 0.780 8 P CB 0.584 32.311 31.700 0.045 0.000 0.901 9 E N 2.784 122.973 120.200 -0.020 0.000 2.046 9 E HA 0.185 3.829 4.350 -1.177 0.000 0.279 9 E C -0.925 175.561 176.600 -0.190 0.000 0.989 9 E CA -0.341 55.981 56.400 -0.130 0.000 0.798 9 E CB -0.370 29.084 29.700 -0.410 0.000 1.086 9 E HN 0.206 nan 8.360 nan 0.000 0.399 10 N N 3.918 122.595 118.700 -0.038 0.000 2.446 10 N HA 0.179 4.213 4.740 -1.177 0.000 0.265 10 N C -0.952 174.649 175.510 0.153 0.000 0.975 10 N CA -0.484 52.554 53.050 -0.020 0.000 0.928 10 N CB 0.825 39.344 38.487 0.053 0.000 1.160 10 N HN 0.544 nan 8.380 nan 0.000 0.495 11 H N 1.386 120.516 119.070 0.100 0.000 2.646 11 H HA 0.213 4.064 4.556 -1.176 0.000 0.325 11 H C -1.891 173.443 175.328 0.011 0.000 1.075 11 H CA -1.558 54.519 56.048 0.049 0.000 1.421 11 H CB 0.604 30.372 29.762 0.010 0.000 1.461 11 H HN 0.261 nan 8.280 nan 0.000 0.525 12 P HA 0.030 nan 4.420 nan 0.000 0.268 12 P C -2.495 174.819 177.300 0.023 0.000 1.204 12 P CA -1.153 61.947 63.100 0.001 0.000 0.768 12 P CB 0.375 32.001 31.700 -0.124 0.000 0.842 13 P HA 0.259 nan 4.420 nan 0.000 0.272 13 P C -1.027 176.298 177.300 0.041 0.000 1.223 13 P CA 0.137 63.268 63.100 0.051 0.000 0.784 13 P CB 0.435 32.165 31.700 0.050 0.000 0.923 14 L N 1.820 123.088 121.223 0.075 0.000 2.614 14 L HA 0.379 4.013 4.340 -1.177 0.000 0.264 14 L C -0.557 176.418 176.870 0.175 0.000 0.940 14 L CA -0.127 54.772 54.840 0.097 0.000 0.903 14 L CB 1.574 43.676 42.059 0.072 0.000 1.306 14 L HN 0.422 nan 8.230 nan 0.000 0.410 15 T N 1.498 116.146 114.554 0.155 0.000 2.889 15 T HA 0.702 4.346 4.350 -1.177 0.000 0.291 15 T C -0.439 174.436 174.700 0.292 0.000 0.995 15 T CA -0.448 61.756 62.100 0.174 0.000 1.092 15 T CB 0.919 69.835 68.868 0.079 0.000 0.954 15 T HN 0.656 nan 8.240 nan 0.000 0.506 16 W N 1.066 122.408 121.300 0.069 0.000 3.040 16 W HA 0.650 4.605 4.660 -1.175 0.000 0.344 16 W C -1.586 174.992 176.519 0.099 0.000 1.201 16 W CA -1.344 56.060 57.345 0.100 0.000 1.119 16 W CB 1.122 30.665 29.460 0.138 0.000 1.478 16 W HN 0.679 nan 8.180 nan 0.000 0.586 17 Q N 1.277 121.173 119.800 0.160 0.000 2.337 17 Q HA 0.405 4.039 4.340 -1.177 0.000 0.270 17 Q C -0.545 175.439 176.000 -0.027 0.000 1.043 17 Q CA -0.879 54.865 55.803 -0.098 0.000 0.794 17 Q CB 3.206 31.938 28.738 -0.011 0.000 1.281 17 Q HN 0.309 nan 8.270 nan 0.000 0.446 18 R N 1.625 121.977 120.500 -0.245 0.000 2.198 18 R HA 0.399 4.033 4.340 -1.177 0.000 0.339 18 R C -0.960 175.341 176.300 0.002 0.000 1.020 18 R CA -0.188 55.871 56.100 -0.068 0.000 0.864 18 R CB 0.367 30.536 30.300 -0.219 0.000 1.105 18 R HN 0.608 nan 8.270 nan 0.000 0.463 19 c N 1.312 119.962 118.600 0.082 0.000 2.391 19 c HA 0.396 4.260 4.570 -1.177 0.000 0.339 19 c C 1.793 175.914 174.090 0.051 0.000 1.205 19 c CA -0.599 55.751 56.329 0.036 0.000 1.937 19 c CB 1.674 44.193 42.510 0.015 0.000 2.341 19 c HN 0.854 nan 8.230 nan 0.000 0.516 20 T N -1.766 112.802 114.554 0.023 0.000 2.969 20 T HA 0.545 4.189 4.350 -1.177 0.000 0.250 20 T C 0.221 174.932 174.700 0.019 0.000 1.021 20 T CA 0.633 62.750 62.100 0.028 0.000 1.003 20 T CB 0.264 69.142 68.868 0.017 0.000 1.040 20 T HN 1.274 nan 8.240 nan 0.000 0.492 21 A N 1.566 124.389 122.820 0.005 0.000 2.586 21 A HA 0.681 4.295 4.320 -1.177 0.000 0.291 21 A C -3.220 174.354 177.584 -0.015 0.000 1.062 21 A CA -1.571 50.466 52.037 -0.001 0.000 0.666 21 A CB 0.455 19.454 19.000 -0.002 0.000 1.281 21 A HN 0.015 nan 8.150 nan 0.000 0.421 22 P HA 0.356 nan 4.420 nan 0.000 0.269 22 P C 0.881 178.157 177.300 -0.039 0.000 1.263 22 P CA 1.698 64.777 63.100 -0.034 0.000 0.813 22 P CB 0.432 32.112 31.700 -0.033 0.000 0.868 23 G N 3.275 112.046 108.800 -0.048 0.000 2.336 23 G HA2 -0.153 3.101 3.960 -1.177 0.000 0.194 23 G HA3 -0.153 3.101 3.960 -1.177 0.000 0.194 23 G C -0.035 174.842 174.900 -0.038 0.000 0.999 23 G CA -0.518 44.557 45.100 -0.042 0.000 0.669 23 G HN 0.545 nan 8.290 nan 0.000 0.482 24 N N 0.533 119.212 118.700 -0.036 0.000 2.573 24 N HA 0.502 4.536 4.740 -1.177 0.000 0.262 24 N C -1.122 174.367 175.510 -0.035 0.000 1.029 24 N CA 0.003 53.034 53.050 -0.032 0.000 0.882 24 N CB 1.514 39.987 38.487 -0.022 0.000 1.204 24 N HN 0.206 nan 8.380 nan 0.000 0.519 25 c N 1.128 119.701 118.600 -0.045 0.000 2.408 25 c HA 0.383 4.247 4.570 -1.177 0.000 0.321 25 c C 0.324 174.377 174.090 -0.063 0.000 1.245 25 c CA -0.779 55.519 56.329 -0.051 0.000 1.523 25 c CB 1.828 44.301 42.510 -0.060 0.000 2.178 25 c HN 0.527 nan 8.230 nan 0.000 0.488 26 Q N 1.766 121.515 119.800 -0.085 0.000 2.271 26 Q HA 0.385 4.019 4.340 -1.177 0.000 0.258 26 Q C -0.430 175.467 176.000 -0.171 0.000 0.936 26 Q CA 0.056 55.792 55.803 -0.111 0.000 0.909 26 Q CB 1.457 30.124 28.738 -0.118 0.000 1.253 26 Q HN 0.790 nan 8.270 nan 0.000 0.440 27 T N 2.068 116.533 114.554 -0.149 0.000 2.913 27 T HA 0.336 3.980 4.350 -1.177 0.000 0.297 27 T C -0.463 174.078 174.700 -0.264 0.000 1.029 27 T CA -0.386 61.606 62.100 -0.180 0.000 1.104 27 T CB 0.875 69.684 68.868 -0.099 0.000 0.964 27 T HN 0.384 nan 8.240 nan 0.000 0.532 28 V N 3.371 123.056 119.914 -0.382 0.000 2.443 28 V HA 0.329 3.743 4.120 -1.177 0.000 0.293 28 V C -0.226 175.772 176.094 -0.160 0.000 1.021 28 V CA -1.176 60.873 62.300 -0.418 0.000 0.848 28 V CB 1.402 32.620 31.823 -1.007 0.000 0.998 28 V HN 0.840 nan 8.190 nan 0.000 0.424 29 N N 3.243 121.918 118.700 -0.041 0.000 2.401 29 N HA 0.645 4.679 4.740 -1.177 0.000 0.255 29 N C 0.105 175.683 175.510 0.113 0.000 1.110 29 N CA 0.037 53.112 53.050 0.042 0.000 0.949 29 N CB 1.411 39.913 38.487 0.025 0.000 1.110 29 N HN 0.918 nan 8.380 nan 0.000 0.490 30 A N 2.432 125.363 122.820 0.185 0.000 2.985 30 A HA 0.726 4.340 4.320 -1.177 0.000 0.248 30 A C -0.851 176.820 177.584 0.145 0.000 1.195 30 A CA -0.512 51.654 52.037 0.215 0.000 0.798 30 A CB 1.217 20.451 19.000 0.389 0.000 1.376 30 A HN 0.651 nan 8.150 nan 0.000 0.574 31 E N -1.547 118.721 120.200 0.113 0.000 2.447 31 E HA 0.595 4.239 4.350 -1.177 0.000 0.279 31 E C -1.330 175.275 176.600 0.008 0.000 1.053 31 E CA -0.741 55.701 56.400 0.070 0.000 0.840 31 E CB 1.369 31.139 29.700 0.115 0.000 1.409 31 E HN 1.267 nan 8.360 nan 0.000 0.461 32 V N -2.110 117.788 119.914 -0.027 0.000 3.126 32 V HA 0.891 4.305 4.120 -1.177 0.000 0.314 32 V C -0.793 175.241 176.094 -0.101 0.000 1.138 32 V CA -0.801 61.475 62.300 -0.040 0.000 1.034 32 V CB 1.627 33.443 31.823 -0.013 0.000 1.075 32 V HN 0.607 nan 8.190 nan 0.000 0.442 33 V N 2.313 122.183 119.914 -0.072 0.000 2.808 33 V HA 0.608 4.022 4.120 -1.177 0.000 0.308 33 V C -0.693 175.157 176.094 -0.407 0.000 1.099 33 V CA -0.612 61.587 62.300 -0.168 0.000 0.920 33 V CB 1.852 33.507 31.823 -0.280 0.000 1.014 33 V HN 1.077 nan 8.190 nan 0.000 0.425 34 I N 4.451 124.661 120.570 -0.599 0.000 2.581 34 I HA 0.289 3.753 4.170 -1.177 0.000 0.288 34 I C 0.588 176.375 176.117 -0.550 0.000 1.047 34 I CA -0.087 60.507 61.300 -1.176 0.000 1.374 34 I CB 0.835 38.201 38.000 -1.057 0.000 1.423 34 I HN 0.829 nan 8.210 nan 0.000 0.549 35 D N 5.376 125.430 120.400 -0.576 0.000 2.525 35 D HA -0.054 3.880 4.640 -1.177 0.000 0.235 35 D C 0.914 177.338 176.300 0.207 0.000 1.137 35 D CA 0.539 54.526 54.000 -0.022 0.000 0.868 35 D CB 1.474 42.323 40.800 0.082 0.000 1.180 35 D HN 0.741 nan 8.370 nan 0.000 0.465 36 A N 4.680 127.651 122.820 0.252 0.000 1.986 36 A HA -0.277 3.337 4.320 -1.177 0.000 0.220 36 A C 1.922 179.610 177.584 0.174 0.000 1.171 36 A CA 1.595 53.757 52.037 0.208 0.000 0.640 36 A CB -0.430 18.686 19.000 0.193 0.000 0.811 36 A HN 0.719 nan 8.150 nan 0.000 0.451 37 N N -1.330 117.486 118.700 0.193 0.000 2.519 37 N HA -0.108 3.926 4.740 -1.177 0.000 0.186 37 N C 1.141 176.604 175.510 -0.079 0.000 1.062 37 N CA 0.768 53.810 53.050 -0.013 0.000 0.910 37 N CB -0.176 38.217 38.487 -0.157 0.000 0.958 37 N HN 0.726 nan 8.380 nan 0.000 0.445 38 W N 0.902 122.174 121.300 -0.047 0.000 3.139 38 W HA 0.162 4.114 4.660 -1.179 0.000 0.260 38 W C 0.037 176.618 176.519 0.102 0.000 1.312 38 W CA -0.288 57.061 57.345 0.006 0.000 1.606 38 W CB 0.206 29.543 29.460 -0.204 0.000 1.118 38 W HN -0.042 nan 8.180 nan 0.000 0.675 39 R N -0.019 120.621 120.500 0.233 0.000 2.457 39 R HA 0.085 3.719 4.340 -1.177 0.000 0.284 39 R C -0.311 176.158 176.300 0.282 0.000 1.024 39 R CA -0.902 55.352 56.100 0.258 0.000 1.025 39 R CB 0.766 31.179 30.300 0.188 0.000 1.063 39 R HN -0.239 nan 8.270 nan 0.000 0.493 40 W N 3.852 125.238 121.300 0.144 0.000 2.257 40 W HA 0.085 4.038 4.660 -1.177 0.000 0.337 40 W C -1.162 175.411 176.519 0.089 0.000 1.321 40 W CA 0.047 57.470 57.345 0.130 0.000 1.267 40 W CB 0.139 29.698 29.460 0.164 0.000 1.187 40 W HN 0.383 nan 8.180 nan 0.000 0.565 41 L N 7.405 128.623 121.223 -0.010 0.000 2.376 41 L HA 0.350 3.984 4.340 -1.177 0.000 0.275 41 L C -0.556 176.139 176.870 -0.291 0.000 0.987 41 L CA -0.833 53.859 54.840 -0.246 0.000 0.828 41 L CB 1.283 43.298 42.059 -0.072 0.000 1.249 41 L HN 0.717 nan 8.230 nan 0.000 0.409 42 H N 0.637 119.410 119.070 -0.495 0.000 2.977 42 H HA 0.547 4.398 4.556 -1.177 0.000 0.350 42 H C -1.582 173.604 175.328 -0.236 0.000 1.238 42 H CA -1.125 54.697 56.048 -0.376 0.000 1.124 42 H CB 1.173 30.535 29.762 -0.665 0.000 1.866 42 H HN 0.461 nan 8.280 nan 0.000 0.550 43 D N 0.347 120.778 120.400 0.051 0.000 2.437 43 D HA 0.023 3.957 4.640 -1.177 0.000 0.259 43 D C 0.013 176.376 176.300 0.105 0.000 1.118 43 D CA -0.260 53.760 54.000 0.033 0.000 1.017 43 D CB 1.393 42.223 40.800 0.051 0.000 1.120 43 D HN 0.768 nan 8.370 nan 0.000 0.541 44 D N -0.238 120.188 120.400 0.042 0.000 2.218 44 D HA -0.193 3.741 4.640 -1.177 0.000 0.204 44 D C 0.282 176.617 176.300 0.058 0.000 0.976 44 D CA 0.781 54.812 54.000 0.051 0.000 0.853 44 D CB -0.952 39.857 40.800 0.014 0.000 0.939 44 D HN 0.422 nan 8.370 nan 0.000 0.481 45 N N -0.376 118.356 118.700 0.052 0.000 2.843 45 N HA 0.220 4.254 4.740 -1.177 0.000 0.284 45 N C -0.182 175.360 175.510 0.053 0.000 1.274 45 N CA -0.204 52.872 53.050 0.043 0.000 1.045 45 N CB -0.048 38.459 38.487 0.035 0.000 1.370 45 N HN -0.140 nan 8.380 nan 0.000 0.525 46 M N -0.835 118.794 119.600 0.048 0.000 2.841 46 M HA -0.308 3.466 4.480 -1.177 0.000 0.166 46 M C 0.248 176.616 176.300 0.113 0.000 0.667 46 M CA 1.211 56.516 55.300 0.009 0.000 0.619 46 M CB -1.474 31.143 32.600 0.028 0.000 2.253 46 M HN 0.452 nan 8.290 nan 0.000 0.313 47 Q N 0.911 120.788 119.800 0.128 0.000 2.243 47 Q HA 0.394 4.028 4.340 -1.177 0.000 0.252 47 Q C -0.296 175.826 176.000 0.204 0.000 0.909 47 Q CA -0.582 55.315 55.803 0.157 0.000 0.922 47 Q CB 0.881 29.681 28.738 0.103 0.000 1.215 47 Q HN 0.342 nan 8.270 nan 0.000 0.427 48 N N 1.942 120.798 118.700 0.262 0.000 2.441 48 N HA 0.024 4.058 4.740 -1.177 0.000 0.251 48 N C -0.117 175.503 175.510 0.183 0.000 1.242 48 N CA -0.037 53.188 53.050 0.291 0.000 0.898 48 N CB 0.676 39.361 38.487 0.330 0.000 1.100 48 N HN 0.592 nan 8.380 nan 0.000 0.443 49 c N 0.436 119.137 118.600 0.168 0.000 2.865 49 c HA 0.231 4.095 4.570 -1.177 0.000 0.280 49 c C 0.047 174.261 174.090 0.207 0.000 1.255 49 c CA -0.147 56.306 56.329 0.206 0.000 1.705 49 c CB -1.198 41.462 42.510 0.250 0.000 2.080 49 c HN 0.706 nan 8.230 nan 0.000 0.591 50 Y N 0.636 120.894 120.300 -0.071 0.000 2.441 50 Y HA 0.529 4.373 4.550 -1.177 0.000 0.334 50 Y C -1.426 174.417 175.900 -0.095 0.000 1.061 50 Y CA -0.541 57.401 58.100 -0.263 0.000 1.032 50 Y CB 0.926 38.980 38.460 -0.677 0.000 1.266 50 Y HN 0.072 nan 8.280 nan 0.000 0.441 51 D N 3.849 124.001 120.400 -0.413 0.000 2.977 51 D HA 0.451 4.385 4.640 -1.177 0.000 0.220 51 D C 0.227 176.335 176.300 -0.321 0.000 1.267 51 D CA 0.801 54.685 54.000 -0.192 0.000 0.884 51 D CB 2.219 42.979 40.800 -0.067 0.000 1.667 51 D HN 0.985 nan 8.370 nan 0.000 0.536 52 G N 3.856 112.566 108.800 -0.150 0.000 2.557 52 G HA2 -0.320 2.934 3.960 -1.177 0.000 0.292 52 G HA3 -0.320 2.934 3.960 -1.177 0.000 0.292 52 G C 0.292 175.094 174.900 -0.163 0.000 1.162 52 G CA 0.765 45.792 45.100 -0.122 0.000 0.964 52 G HN 0.668 nan 8.290 nan 0.000 0.541 53 N N 0.527 119.096 118.700 -0.218 0.000 2.466 53 N HA 0.396 4.430 4.740 -1.177 0.000 0.272 53 N C -0.124 175.328 175.510 -0.097 0.000 1.455 53 N CA 0.219 53.243 53.050 -0.043 0.000 0.875 53 N CB 0.826 39.405 38.487 0.152 0.000 1.372 53 N HN 0.803 nan 8.380 nan 0.000 0.492 54 Q N 0.037 119.478 119.800 -0.599 0.000 2.315 54 Q HA 0.385 4.019 4.340 -1.177 0.000 0.273 54 Q C -1.192 174.516 176.000 -0.486 0.000 1.053 54 Q CA -0.835 54.805 55.803 -0.272 0.000 0.817 54 Q CB 1.786 30.505 28.738 -0.032 0.000 1.326 54 Q HN 0.200 nan 8.270 nan 0.000 0.423 55 W N 1.371 122.465 121.300 -0.343 0.000 2.089 55 W HA 0.177 4.130 4.660 -1.178 0.000 0.355 55 W C 1.223 177.661 176.519 -0.135 0.000 1.305 55 W CA -0.101 57.119 57.345 -0.208 0.000 1.281 55 W CB 0.033 29.392 29.460 -0.168 0.000 1.183 55 W HN 0.564 nan 8.180 nan 0.000 0.604 56 T N -1.304 113.358 114.554 0.180 0.000 2.888 56 T HA 0.229 3.873 4.350 -1.177 0.000 0.283 56 T C 0.605 175.366 174.700 0.101 0.000 1.013 56 T CA -0.801 61.360 62.100 0.102 0.000 0.938 56 T CB 0.520 69.445 68.868 0.094 0.000 1.298 56 T HN 0.416 nan 8.240 nan 0.000 0.580 57 N N 0.037 118.777 118.700 0.067 0.000 2.313 57 N HA 0.202 4.236 4.740 -1.177 0.000 0.207 57 N C 1.518 177.059 175.510 0.051 0.000 1.141 57 N CA 0.353 53.432 53.050 0.048 0.000 0.830 57 N CB -0.261 38.245 38.487 0.031 0.000 1.008 57 N HN 0.725 nan 8.380 nan 0.000 0.481 58 A N 0.265 123.132 122.820 0.078 0.000 2.070 58 A HA -0.011 3.603 4.320 -1.177 0.000 0.220 58 A C 1.252 178.872 177.584 0.060 0.000 1.159 58 A CA 0.913 52.995 52.037 0.075 0.000 0.656 58 A CB -0.466 18.596 19.000 0.103 0.000 0.800 58 A HN 0.614 nan 8.150 nan 0.000 0.453 59 C N -5.114 114.219 119.300 0.054 0.000 3.332 59 C HA 0.831 4.585 4.460 -1.177 0.000 0.329 59 C C 0.669 175.628 174.990 -0.051 0.000 1.434 59 C CA 0.200 59.224 59.018 0.009 0.000 1.314 59 C CB 1.443 29.198 27.740 0.024 0.000 1.664 59 C HN 0.405 nan 8.230 nan 0.000 0.457 60 S N -0.964 114.677 115.700 -0.098 0.000 2.615 60 S HA 0.317 4.081 4.470 -1.177 0.000 0.277 60 S C 0.226 174.715 174.600 -0.184 0.000 1.068 60 S CA 0.646 58.767 58.200 -0.132 0.000 1.315 60 S CB 0.008 63.163 63.200 -0.074 0.000 1.193 60 S HN 1.518 nan 8.310 nan 0.000 0.656 61 T N -1.227 113.218 114.554 -0.181 0.000 2.901 61 T HA 0.845 4.489 4.350 -1.177 0.000 0.293 61 T C 1.292 175.874 174.700 -0.197 0.000 1.084 61 T CA -0.201 61.796 62.100 -0.172 0.000 1.008 61 T CB 1.392 70.205 68.868 -0.093 0.000 1.170 61 T HN 0.160 nan 8.240 nan 0.000 0.509 62 A N 1.376 124.104 122.820 -0.153 0.000 1.894 62 A HA -0.172 3.442 4.320 -1.177 0.000 0.220 62 A C 2.266 179.822 177.584 -0.048 0.000 1.237 62 A CA 3.031 55.015 52.037 -0.089 0.000 0.660 62 A CB -2.018 17.014 19.000 0.053 0.000 0.835 62 A HN 0.958 nan 8.150 nan 0.000 0.461 63 T N 0.032 114.571 114.554 -0.025 0.000 2.896 63 T HA -0.076 3.568 4.350 -1.177 0.000 0.263 63 T C 1.510 176.211 174.700 0.001 0.000 1.050 63 T CA 1.362 63.462 62.100 -0.001 0.000 1.140 63 T CB -0.360 68.505 68.868 -0.005 0.000 0.877 63 T HN 0.852 nan 8.240 nan 0.000 0.457 64 D N 0.475 120.862 120.400 -0.022 0.000 2.348 64 D HA -0.001 3.933 4.640 -1.177 0.000 0.211 64 D C 1.798 178.103 176.300 0.009 0.000 0.998 64 D CA 0.186 54.180 54.000 -0.011 0.000 0.873 64 D CB -0.990 39.797 40.800 -0.023 0.000 0.925 64 D HN 0.419 nan 8.370 nan 0.000 0.524 65 C N 0.597 119.902 119.300 0.009 0.000 2.492 65 C HA 0.412 4.166 4.460 -1.177 0.000 0.279 65 C C 3.028 178.165 174.990 0.245 0.000 1.335 65 C CA 0.402 59.481 59.018 0.102 0.000 1.734 65 C CB -0.801 26.955 27.740 0.027 0.000 2.027 65 C HN 0.436 nan 8.230 nan 0.000 0.496 66 A N 1.087 124.087 122.820 0.300 0.000 1.948 66 A HA -0.181 3.433 4.320 -1.177 0.000 0.220 66 A C 1.935 179.535 177.584 0.027 0.000 1.177 66 A CA 1.779 53.945 52.037 0.215 0.000 0.636 66 A CB -0.334 18.772 19.000 0.178 0.000 0.815 66 A HN 0.638 nan 8.150 nan 0.000 0.449 67 E N -1.089 119.129 120.200 0.029 0.000 2.481 67 E HA 0.090 3.734 4.350 -1.177 0.000 0.198 67 E C 1.247 177.835 176.600 -0.020 0.000 1.027 67 E CA 0.225 56.616 56.400 -0.016 0.000 0.900 67 E CB 0.270 29.963 29.700 -0.012 0.000 0.993 67 E HN 0.631 nan 8.360 nan 0.000 0.482 68 K N -0.162 120.241 120.400 0.004 0.000 2.335 68 K HA 0.144 3.758 4.320 -1.177 0.000 0.195 68 K C 0.488 177.075 176.600 -0.022 0.000 1.058 68 K CA 0.233 56.518 56.287 -0.003 0.000 0.988 68 K CB 0.682 33.192 32.500 0.017 0.000 0.880 68 K HN 0.005 nan 8.250 nan 0.000 0.513 69 c N 1.025 119.624 118.600 -0.002 0.000 2.365 69 c HA 0.593 4.457 4.570 -1.177 0.000 0.349 69 c C -0.228 173.726 174.090 -0.226 0.000 1.191 69 c CA -0.975 55.311 56.329 -0.071 0.000 2.114 69 c CB 0.707 43.277 42.510 0.100 0.000 2.367 69 c HN 0.255 nan 8.230 nan 0.000 0.530 70 M N 3.040 122.403 119.600 -0.395 0.000 2.327 70 M HA 0.535 4.309 4.480 -1.177 0.000 0.298 70 M C -0.405 175.548 176.300 -0.577 0.000 1.065 70 M CA -0.200 54.805 55.300 -0.492 0.000 0.916 70 M CB 1.228 33.531 32.600 -0.495 0.000 1.630 70 M HN 0.573 nan 8.290 nan 0.000 0.442 71 I N -0.975 119.292 120.570 -0.506 0.000 2.581 71 I HA 0.492 3.956 4.170 -1.177 0.000 0.288 71 I C 0.030 175.938 176.117 -0.349 0.000 1.047 71 I CA -0.610 60.459 61.300 -0.384 0.000 1.374 71 I CB 0.614 38.450 38.000 -0.274 0.000 1.423 71 I HN 0.526 nan 8.210 nan 0.000 0.549 72 E N 2.931 123.090 120.200 -0.068 0.000 2.259 72 E HA 0.491 4.135 4.350 -1.177 0.000 0.257 72 E C 0.032 176.865 176.600 0.388 0.000 0.998 72 E CA -0.614 55.875 56.400 0.147 0.000 0.866 72 E CB 1.774 31.645 29.700 0.285 0.000 1.220 72 E HN 0.840 nan 8.360 nan 0.000 0.415 73 G N -0.421 108.603 108.800 0.374 0.000 2.636 73 G HA2 0.315 3.569 3.960 -1.177 0.000 0.246 73 G HA3 0.315 3.569 3.960 -1.177 0.000 0.246 73 G C 0.267 175.251 174.900 0.139 0.000 1.216 73 G CA 0.298 45.541 45.100 0.238 0.000 0.854 73 G HN 0.394 nan 8.290 nan 0.000 0.572 74 A N 0.155 122.946 122.820 -0.048 0.000 2.370 74 A HA 0.562 4.176 4.320 -1.177 0.000 0.238 74 A C 1.703 179.198 177.584 -0.148 0.000 1.289 74 A CA 1.095 53.024 52.037 -0.180 0.000 0.885 74 A CB -1.071 17.417 19.000 -0.854 0.000 0.961 74 A HN 2.426 nan 8.150 nan 0.000 0.499 75 G N 0.673 109.447 108.800 -0.042 0.000 2.582 75 G HA2 -0.316 2.938 3.960 -1.177 0.000 0.288 75 G HA3 -0.316 2.938 3.960 -1.177 0.000 0.288 75 G C -0.073 174.805 174.900 -0.038 0.000 1.247 75 G CA 0.338 45.428 45.100 -0.016 0.000 0.972 75 G HN 0.899 nan 8.290 nan 0.000 0.557 76 D N 0.078 120.477 120.400 -0.001 0.000 2.317 76 D HA 0.405 4.339 4.640 -1.177 0.000 0.252 76 D C 1.067 177.412 176.300 0.075 0.000 1.174 76 D CA -0.377 53.662 54.000 0.064 0.000 0.866 76 D CB 0.430 41.268 40.800 0.064 0.000 1.127 76 D HN 0.383 nan 8.370 nan 0.000 0.467 77 Y N 2.555 122.961 120.300 0.176 0.000 2.352 77 Y HA -0.073 3.771 4.550 -1.177 0.000 0.292 77 Y C 2.087 178.103 175.900 0.195 0.000 1.136 77 Y CA 0.579 58.840 58.100 0.268 0.000 1.227 77 Y CB 0.087 38.700 38.460 0.256 0.000 0.991 77 Y HN 0.472 nan 8.280 nan 0.000 0.545 78 L N -1.053 120.320 121.223 0.251 0.000 2.005 78 L HA -0.163 3.471 4.340 -1.177 0.000 0.207 78 L C 2.545 179.473 176.870 0.096 0.000 1.072 78 L CA 1.625 56.559 54.840 0.156 0.000 0.744 78 L CB -0.931 41.192 42.059 0.107 0.000 0.895 78 L HN 0.345 nan 8.230 nan 0.000 0.433 79 G N -1.515 107.313 108.800 0.046 0.000 2.440 79 G HA2 -0.241 3.013 3.960 -1.177 0.000 0.218 79 G HA3 -0.241 3.013 3.960 -1.177 0.000 0.218 79 G C 1.444 176.265 174.900 -0.132 0.000 1.154 79 G CA 1.378 46.473 45.100 -0.009 0.000 0.767 79 G HN 0.363 nan 8.290 nan 0.000 0.552 80 T N -0.799 113.541 114.554 -0.357 0.000 3.004 80 T HA 0.094 3.738 4.350 -1.177 0.000 0.243 80 T C 1.672 175.879 174.700 -0.822 0.000 1.020 80 T CA 0.609 62.046 62.100 -1.104 0.000 1.145 80 T CB -0.072 67.995 68.868 -1.335 0.000 0.876 80 T HN 0.303 nan 8.240 nan 0.000 0.449 81 Y N 0.675 120.954 120.300 -0.036 0.000 2.458 81 Y HA 0.463 4.307 4.550 -1.177 0.000 0.256 81 Y C 1.749 177.765 175.900 0.195 0.000 1.159 81 Y CA -0.475 57.711 58.100 0.144 0.000 1.261 81 Y CB 0.070 38.659 38.460 0.215 0.000 1.119 81 Y HN 0.333 nan 8.280 nan 0.000 0.524 82 G N 0.510 109.460 108.800 0.250 0.000 2.143 82 G HA2 -0.151 3.103 3.960 -1.177 0.000 0.248 82 G HA3 -0.151 3.103 3.960 -1.177 0.000 0.248 82 G C 0.075 175.071 174.900 0.161 0.000 0.991 82 G CA 0.132 45.349 45.100 0.195 0.000 0.689 82 G HN 0.642 nan 8.290 nan 0.000 0.522 83 A N -0.208 122.727 122.820 0.192 0.000 2.318 83 A HA 0.968 4.582 4.320 -1.177 0.000 0.317 83 A C 0.222 177.820 177.584 0.022 0.000 1.159 83 A CA 0.593 52.657 52.037 0.044 0.000 0.799 83 A CB 1.532 20.559 19.000 0.044 0.000 1.194 83 A HN 1.982 nan 8.150 nan 0.000 0.479 84 S N 0.741 116.399 115.700 -0.070 0.000 2.596 84 S HA 0.827 4.591 4.470 -1.177 0.000 0.270 84 S C -0.596 173.953 174.600 -0.086 0.000 1.155 84 S CA -0.422 57.751 58.200 -0.046 0.000 0.827 84 S CB 1.695 64.904 63.200 0.014 0.000 1.130 84 S HN 1.259 nan 8.310 nan 0.000 0.467 85 T N 0.083 114.603 114.554 -0.057 0.000 2.893 85 T HA 0.758 4.402 4.350 -1.177 0.000 0.291 85 T C -1.344 173.350 174.700 -0.009 0.000 1.028 85 T CA -0.389 61.684 62.100 -0.046 0.000 0.995 85 T CB 1.653 70.488 68.868 -0.054 0.000 1.051 85 T HN 0.943 nan 8.240 nan 0.000 0.470 86 S N 2.644 118.345 115.700 0.001 0.000 2.776 86 S HA 0.585 4.349 4.470 -1.177 0.000 0.284 86 S C 0.931 175.545 174.600 0.023 0.000 1.160 86 S CA 0.458 58.666 58.200 0.013 0.000 1.051 86 S CB 0.184 63.390 63.200 0.011 0.000 1.037 86 S HN 1.536 nan 8.310 nan 0.000 0.485 87 G N 5.143 113.960 108.800 0.029 0.000 2.752 87 G HA2 -0.395 2.859 3.960 -1.177 0.000 0.349 87 G HA3 -0.395 2.859 3.960 -1.177 0.000 0.349 87 G C 0.484 175.417 174.900 0.054 0.000 1.181 87 G CA 1.322 46.445 45.100 0.039 0.000 0.949 87 G HN 0.962 nan 8.290 nan 0.000 0.562 88 D N 1.577 122.014 120.400 0.061 0.000 2.342 88 D HA 0.592 4.526 4.640 -1.177 0.000 0.221 88 D C 0.735 177.087 176.300 0.086 0.000 1.101 88 D CA 0.986 55.039 54.000 0.089 0.000 0.837 88 D CB -0.108 40.752 40.800 0.099 0.000 0.938 88 D HN 1.015 nan 8.370 nan 0.000 0.508 89 A N 0.406 123.260 122.820 0.056 0.000 2.342 89 A HA 0.634 4.248 4.320 -1.177 0.000 0.323 89 A C -1.245 176.351 177.584 0.019 0.000 1.125 89 A CA -0.880 51.187 52.037 0.049 0.000 0.785 89 A CB 1.213 20.230 19.000 0.028 0.000 1.221 89 A HN 0.234 nan 8.150 nan 0.000 0.463 90 L N 2.250 123.492 121.223 0.030 0.000 2.319 90 L HA 0.648 4.282 4.340 -1.177 0.000 0.281 90 L C -0.424 176.429 176.870 -0.029 0.000 1.005 90 L CA 0.322 55.143 54.840 -0.031 0.000 0.828 90 L CB 1.807 43.833 42.059 -0.054 0.000 1.227 90 L HN 0.585 nan 8.230 nan 0.000 0.415 91 T N 6.586 121.089 114.554 -0.085 0.000 2.758 91 T HA 0.573 4.217 4.350 -1.177 0.000 0.285 91 T C -0.319 174.326 174.700 -0.092 0.000 0.981 91 T CA -0.246 61.799 62.100 -0.091 0.000 0.965 91 T CB 0.658 69.490 68.868 -0.061 0.000 0.927 91 T HN 0.428 nan 8.240 nan 0.000 0.448 92 L N 3.457 124.637 121.223 -0.073 0.000 2.305 92 L HA 0.547 4.181 4.340 -1.177 0.000 0.284 92 L C 0.057 176.971 176.870 0.073 0.000 1.013 92 L CA -1.056 53.790 54.840 0.010 0.000 0.819 92 L CB 1.492 43.596 42.059 0.076 0.000 1.227 92 L HN 0.360 nan 8.230 nan 0.000 0.417 93 K N 1.297 121.775 120.400 0.130 0.000 2.143 93 K HA 0.219 3.833 4.320 -1.177 0.000 0.272 93 K C 0.354 177.119 176.600 0.276 0.000 1.001 93 K CA -0.468 55.922 56.287 0.173 0.000 0.915 93 K CB 1.401 33.988 32.500 0.145 0.000 1.047 93 K HN 0.343 nan 8.250 nan 0.000 0.458 94 F N 2.459 122.485 119.950 0.127 0.000 2.098 94 F HA 0.068 3.890 4.527 -1.175 0.000 0.294 94 F C 0.192 176.111 175.800 0.198 0.000 1.107 94 F CA 0.811 58.909 58.000 0.165 0.000 1.234 94 F CB 0.459 39.540 39.000 0.135 0.000 1.002 94 F HN 0.153 nan 8.300 nan 0.000 0.472 95 V N 1.149 121.047 119.914 -0.026 0.000 2.487 95 V HA 0.384 3.798 4.120 -1.177 0.000 0.298 95 V C -0.555 175.564 176.094 0.042 0.000 1.028 95 V CA -0.219 62.011 62.300 -0.118 0.000 0.860 95 V CB 1.532 33.210 31.823 -0.241 0.000 0.991 95 V HN 0.360 nan 8.190 nan 0.000 0.427 96 T N 1.540 116.148 114.554 0.091 0.000 2.840 96 T HA 0.512 4.156 4.350 -1.177 0.000 0.287 96 T C -0.557 174.196 174.700 0.087 0.000 0.991 96 T CA -0.940 61.246 62.100 0.143 0.000 0.964 96 T CB 1.274 70.290 68.868 0.246 0.000 0.954 96 T HN 0.625 nan 8.240 nan 0.000 0.438 97 K N 4.095 124.501 120.400 0.011 0.000 2.403 97 K HA 0.193 3.807 4.320 -1.177 0.000 0.235 97 K C 0.187 176.711 176.600 -0.126 0.000 1.142 97 K CA -0.791 55.425 56.287 -0.119 0.000 1.114 97 K CB -0.149 32.298 32.500 -0.088 0.000 1.777 97 K HN 0.828 nan 8.250 nan 0.000 0.424 98 H N 0.537 119.594 119.070 -0.021 0.000 2.683 98 H HA 0.106 3.956 4.556 -1.177 0.000 0.339 98 H C 0.636 175.960 175.328 -0.007 0.000 1.081 98 H CA -0.235 55.799 56.048 -0.024 0.000 1.432 98 H CB 1.503 31.232 29.762 -0.055 0.000 1.462 98 H HN 0.456 nan 8.280 nan 0.000 0.557 99 E N 1.951 122.205 120.200 0.090 0.000 4.535 99 E HA -0.358 3.286 4.350 -1.177 0.000 0.195 99 E C -0.184 176.458 176.600 0.071 0.000 1.367 99 E CA 2.887 59.346 56.400 0.098 0.000 2.180 99 E CB -1.132 28.676 29.700 0.180 0.000 1.936 99 E HN 0.850 nan 8.360 nan 0.000 0.264 100 Y N -1.130 119.131 120.300 -0.066 0.000 2.738 100 Y HA 0.518 4.362 4.550 -1.177 0.000 0.249 100 Y C 0.631 176.456 175.900 -0.125 0.000 1.157 100 Y CA 0.419 58.469 58.100 -0.083 0.000 1.189 100 Y CB 1.580 39.999 38.460 -0.067 0.000 1.262 100 Y HN 0.327 nan 8.280 nan 0.000 0.554 101 G N -1.204 107.517 108.800 -0.131 0.000 2.450 101 G HA2 0.447 3.701 3.960 -1.177 0.000 0.273 101 G HA3 0.447 3.701 3.960 -1.177 0.000 0.273 101 G C -1.280 173.363 174.900 -0.428 0.000 1.221 101 G CA -0.530 44.444 45.100 -0.211 0.000 0.900 101 G HN -0.203 nan 8.290 nan 0.000 0.483 102 T N 0.232 114.567 114.554 -0.366 0.000 2.993 102 T HA 0.555 4.199 4.350 -1.177 0.000 0.312 102 T C -1.106 173.558 174.700 -0.060 0.000 1.115 102 T CA -0.543 61.387 62.100 -0.283 0.000 1.027 102 T CB 1.799 70.594 68.868 -0.121 0.000 1.116 102 T HN 0.685 nan 8.240 nan 0.000 0.464 103 N N 1.395 120.165 118.700 0.116 0.000 2.372 103 N HA 0.638 4.672 4.740 -1.177 0.000 0.291 103 N C -1.414 174.230 175.510 0.224 0.000 1.024 103 N CA -0.474 52.768 53.050 0.320 0.000 0.873 103 N CB 1.198 39.993 38.487 0.514 0.000 1.206 103 N HN 0.296 nan 8.380 nan 0.000 0.486 104 V N 2.836 122.904 119.914 0.257 0.000 2.376 104 V HA 0.824 4.238 4.120 -1.177 0.000 0.287 104 V C 0.496 176.829 176.094 0.398 0.000 1.015 104 V CA 0.007 62.398 62.300 0.152 0.000 0.834 104 V CB 0.355 32.204 31.823 0.043 0.000 1.001 104 V HN 1.037 nan 8.190 nan 0.000 0.428 105 G N 4.476 113.535 108.800 0.433 0.000 2.730 105 G HA2 0.217 3.471 3.960 -1.177 0.000 0.686 105 G HA3 0.217 3.471 3.960 -1.177 0.000 0.686 105 G C -0.426 174.808 174.900 0.557 0.000 1.343 105 G CA -0.197 45.263 45.100 0.601 0.000 0.826 105 G HN 1.804 nan 8.290 nan 0.000 0.582 106 S N -0.734 115.141 115.700 0.292 0.000 2.588 106 S HA 0.838 4.602 4.470 -1.177 0.000 0.269 106 S C -0.810 173.565 174.600 -0.376 0.000 1.157 106 S CA -0.417 57.563 58.200 -0.366 0.000 0.824 106 S CB 2.446 65.620 63.200 -0.045 0.000 1.126 106 S HN 1.527 nan 8.310 nan 0.000 0.464 107 R N 0.833 120.776 120.500 -0.929 0.000 2.531 107 R HA 0.594 4.228 4.340 -1.177 0.000 0.293 107 R C -2.113 173.623 176.300 -0.940 0.000 1.124 107 R CA -0.431 55.293 56.100 -0.627 0.000 0.945 107 R CB 0.672 30.650 30.300 -0.536 0.000 1.195 107 R HN 0.614 nan 8.270 nan 0.000 0.433 108 F N 3.123 122.638 119.950 -0.724 0.000 2.470 108 F HA 0.511 4.331 4.527 -1.178 0.000 0.329 108 F C -0.488 174.813 175.800 -0.832 0.000 1.072 108 F CA -0.493 57.060 58.000 -0.746 0.000 0.989 108 F CB 1.237 39.979 39.000 -0.430 0.000 1.193 108 F HN 0.312 nan 8.300 nan 0.000 0.481 109 Y N 1.749 122.014 120.300 -0.059 0.000 2.468 109 Y HA 0.563 4.406 4.550 -1.178 0.000 0.342 109 Y C -0.535 175.328 175.900 -0.062 0.000 1.021 109 Y CA -1.461 56.562 58.100 -0.129 0.000 1.079 109 Y CB 1.128 39.451 38.460 -0.227 0.000 1.226 109 Y HN 0.342 nan 8.280 nan 0.000 0.460 110 L N 3.829 125.084 121.223 0.053 0.000 2.331 110 L HA 0.436 4.070 4.340 -1.177 0.000 0.278 110 L C -0.562 176.344 176.870 0.060 0.000 1.106 110 L CA -0.119 54.717 54.840 -0.007 0.000 0.824 110 L CB 0.192 42.172 42.059 -0.131 0.000 1.142 110 L HN 0.609 nan 8.230 nan 0.000 0.443 111 M N 3.650 123.270 119.600 0.034 0.000 2.573 111 M HA 0.317 4.091 4.480 -1.177 0.000 0.309 111 M C -0.398 175.930 176.300 0.047 0.000 1.202 111 M CA -0.613 54.712 55.300 0.041 0.000 0.975 111 M CB 1.456 34.036 32.600 -0.032 0.000 1.600 111 M HN 0.561 nan 8.290 nan 0.000 0.479 112 N N 1.080 119.801 118.700 0.034 0.000 2.804 112 N HA 0.449 4.483 4.740 -1.177 0.000 0.251 112 N C -0.580 174.945 175.510 0.025 0.000 1.250 112 N CA 0.590 53.670 53.050 0.051 0.000 0.820 112 N CB 0.539 39.035 38.487 0.016 0.000 1.156 112 N HN 0.937 nan 8.380 nan 0.000 0.512 113 G N 2.993 111.822 108.800 0.048 0.000 2.814 113 G HA2 -0.192 3.062 3.960 -1.177 0.000 0.677 113 G HA3 -0.192 3.062 3.960 -1.177 0.000 0.677 113 G C -1.885 173.041 174.900 0.044 0.000 1.429 113 G CA -0.432 44.694 45.100 0.043 0.000 0.868 113 G HN 0.358 nan 8.290 nan 0.000 0.553 114 P HA 0.066 nan 4.420 nan 0.000 0.230 114 P C 0.701 178.047 177.300 0.076 0.000 1.158 114 P CA 1.569 64.770 63.100 0.168 0.000 0.769 114 P CB 0.234 32.003 31.700 0.115 0.000 0.807 115 D N -1.036 119.356 120.400 -0.013 0.000 2.392 115 D HA 0.110 4.045 4.640 -1.177 0.000 0.206 115 D C 0.297 176.505 176.300 -0.154 0.000 1.046 115 D CA 0.670 54.633 54.000 -0.063 0.000 0.865 115 D CB 0.425 41.199 40.800 -0.043 0.000 0.969 115 D HN 0.096 nan 8.370 nan 0.000 0.509 116 K N -1.084 119.208 120.400 -0.179 0.000 2.509 116 K HA 0.356 3.970 4.320 -1.177 0.000 0.266 116 K C -1.392 175.038 176.600 -0.283 0.000 0.987 116 K CA -0.860 55.271 56.287 -0.260 0.000 0.868 116 K CB 1.499 33.920 32.500 -0.131 0.000 1.421 116 K HN -0.202 nan 8.250 nan 0.000 0.444 117 Y N 1.081 121.340 120.300 -0.069 0.000 2.304 117 Y HA 0.170 4.015 4.550 -1.174 0.000 0.327 117 Y C 0.528 176.363 175.900 -0.108 0.000 1.209 117 Y CA -0.466 57.586 58.100 -0.080 0.000 1.299 117 Y CB 0.698 39.103 38.460 -0.090 0.000 1.249 117 Y HN 0.413 nan 8.280 nan 0.000 0.519 118 Q N 2.776 122.600 119.800 0.041 0.000 2.271 118 Q HA 0.193 3.827 4.340 -1.177 0.000 0.273 118 Q C -1.219 174.607 176.000 -0.291 0.000 1.051 118 Q CA 0.120 55.806 55.803 -0.195 0.000 0.901 118 Q CB 0.242 28.768 28.738 -0.353 0.000 1.174 118 Q HN 0.418 nan 8.270 nan 0.000 0.385 119 M N 4.436 123.815 119.600 -0.368 0.000 2.363 119 M HA 0.424 4.198 4.480 -1.177 0.000 0.343 119 M C -0.957 174.965 176.300 -0.629 0.000 1.165 119 M CA -0.327 54.794 55.300 -0.297 0.000 1.046 119 M CB 0.679 33.187 32.600 -0.154 0.000 1.648 119 M HN 0.484 nan 8.290 nan 0.000 0.452 120 F N 1.672 121.408 119.950 -0.356 0.000 2.507 120 F HA 0.400 4.222 4.527 -1.174 0.000 0.325 120 F C 0.425 176.012 175.800 -0.355 0.000 1.116 120 F CA -0.930 56.740 58.000 -0.551 0.000 0.930 120 F CB 1.101 39.516 39.000 -0.975 0.000 1.146 120 F HN 0.447 nan 8.300 nan 0.000 0.447 121 N N 4.057 122.744 118.700 -0.022 0.000 2.437 121 N HA 0.143 4.177 4.740 -1.177 0.000 0.243 121 N C 0.688 176.313 175.510 0.192 0.000 1.041 121 N CA -0.211 52.875 53.050 0.061 0.000 0.940 121 N CB 1.528 40.065 38.487 0.084 0.000 1.133 121 N HN 0.520 nan 8.380 nan 0.000 0.506 122 L N 1.810 123.063 121.223 0.049 0.000 2.109 122 L HA 0.116 3.750 4.340 -1.177 0.000 0.207 122 L C 1.066 178.089 176.870 0.254 0.000 1.086 122 L CA 0.970 55.855 54.840 0.075 0.000 0.760 122 L CB -0.411 41.435 42.059 -0.355 0.000 0.910 122 L HN 0.549 nan 8.230 nan 0.000 0.437 123 M N -0.367 119.343 119.600 0.183 0.000 2.248 123 M HA 0.347 4.121 4.480 -1.177 0.000 0.345 123 M C 1.272 177.693 176.300 0.203 0.000 1.243 123 M CA 0.992 56.417 55.300 0.208 0.000 1.090 123 M CB 0.178 32.867 32.600 0.149 0.000 1.683 123 M HN 0.325 nan 8.290 nan 0.000 0.450 124 G N 3.051 111.968 108.800 0.194 0.000 2.205 124 G HA2 -0.308 2.946 3.960 -1.177 0.000 0.261 124 G HA3 -0.308 2.946 3.960 -1.177 0.000 0.261 124 G C -0.047 174.924 174.900 0.118 0.000 0.980 124 G CA 0.533 45.718 45.100 0.142 0.000 0.632 124 G HN 0.763 nan 8.290 nan 0.000 0.533 125 N N -0.074 118.712 118.700 0.142 0.000 2.453 125 N HA 0.614 4.648 4.740 -1.177 0.000 0.290 125 N C -0.704 174.771 175.510 -0.058 0.000 1.250 125 N CA -0.546 52.488 53.050 -0.026 0.000 0.815 125 N CB 1.335 39.761 38.487 -0.101 0.000 1.381 125 N HN 0.554 nan 8.380 nan 0.000 0.510 126 E N 0.214 120.224 120.200 -0.316 0.000 2.343 126 E HA 0.559 4.203 4.350 -1.177 0.000 0.270 126 E C -1.702 174.740 176.600 -0.264 0.000 0.895 126 E CA -0.951 55.321 56.400 -0.215 0.000 0.767 126 E CB 1.972 31.597 29.700 -0.125 0.000 1.248 126 E HN 0.297 nan 8.360 nan 0.000 0.440 127 L N 1.678 122.943 121.223 0.071 0.000 2.322 127 L HA 0.811 4.445 4.340 -1.177 0.000 0.281 127 L C -1.308 175.651 176.870 0.148 0.000 1.014 127 L CA -0.403 54.613 54.840 0.294 0.000 0.815 127 L CB 1.479 43.891 42.059 0.589 0.000 1.247 127 L HN 0.805 nan 8.230 nan 0.000 0.421 128 A N 4.417 127.356 122.820 0.198 0.000 2.380 128 A HA 0.926 4.540 4.320 -1.177 0.000 0.315 128 A C -1.260 176.449 177.584 0.209 0.000 1.101 128 A CA -0.412 51.684 52.037 0.099 0.000 0.771 128 A CB 0.980 20.141 19.000 0.269 0.000 1.287 128 A HN 0.878 nan 8.150 nan 0.000 0.436 129 F N -0.804 119.136 119.950 -0.016 0.000 2.668 129 F HA 0.692 4.511 4.527 -1.181 0.000 0.309 129 F C -1.318 174.454 175.800 -0.046 0.000 1.117 129 F CA -1.250 56.750 58.000 -0.000 0.000 0.951 129 F CB 0.941 39.910 39.000 -0.052 0.000 1.323 129 F HN 0.362 nan 8.300 nan 0.000 0.451 130 D N 1.234 121.724 120.400 0.149 0.000 2.229 130 D HA 0.591 4.525 4.640 -1.177 0.000 0.249 130 D C -1.058 175.298 176.300 0.093 0.000 1.027 130 D CA -0.347 53.643 54.000 -0.017 0.000 0.923 130 D CB 2.478 43.283 40.800 0.008 0.000 1.174 130 D HN 0.616 nan 8.370 nan 0.000 0.443 131 V N 0.737 120.514 119.914 -0.229 0.000 2.888 131 V HA 0.339 3.753 4.120 -1.177 0.000 0.309 131 V C -1.832 174.001 176.094 -0.435 0.000 1.114 131 V CA -0.730 61.417 62.300 -0.254 0.000 0.940 131 V CB 2.489 34.183 31.823 -0.215 0.000 1.021 131 V HN 0.450 nan 8.190 nan 0.000 0.426 132 D N 5.104 125.305 120.400 -0.333 0.000 2.453 132 D HA 0.472 4.406 4.640 -1.177 0.000 0.238 132 D C -0.133 175.999 176.300 -0.281 0.000 1.088 132 D CA -0.338 53.498 54.000 -0.272 0.000 0.854 132 D CB 1.440 42.128 40.800 -0.187 0.000 1.076 132 D HN 0.496 nan 8.370 nan 0.000 0.533 133 L N 1.835 122.935 121.223 -0.206 0.000 3.202 133 L HA 0.350 3.984 4.340 -1.177 0.000 0.278 133 L C 1.498 178.305 176.870 -0.105 0.000 1.268 133 L CA -0.422 54.330 54.840 -0.146 0.000 1.034 133 L CB -0.220 41.823 42.059 -0.027 0.000 1.407 133 L HN 0.205 nan 8.230 nan 0.000 0.581 134 S N -0.984 114.645 115.700 -0.119 0.000 2.440 134 S HA -0.167 3.597 4.470 -1.177 0.000 0.238 134 S C 1.554 176.069 174.600 -0.142 0.000 1.010 134 S CA 1.458 59.582 58.200 -0.127 0.000 0.972 134 S CB -0.904 62.229 63.200 -0.112 0.000 0.774 134 S HN 0.689 nan 8.310 nan 0.000 0.501 135 T N -1.264 113.206 114.554 -0.140 0.000 3.129 135 T HA 0.418 4.062 4.350 -1.177 0.000 0.267 135 T C 0.070 174.650 174.700 -0.201 0.000 1.018 135 T CA -0.415 61.588 62.100 -0.162 0.000 0.903 135 T CB -0.051 68.751 68.868 -0.111 0.000 1.067 135 T HN 0.122 nan 8.240 nan 0.000 0.549 136 V N 2.978 122.790 119.914 -0.170 0.000 2.405 136 V HA 0.329 3.743 4.120 -1.177 0.000 0.264 136 V C 0.401 176.405 176.094 -0.150 0.000 1.048 136 V CA -0.522 61.668 62.300 -0.184 0.000 0.966 136 V CB 0.408 32.148 31.823 -0.137 0.000 1.015 136 V HN 0.429 nan 8.190 nan 0.000 0.477 137 E N 1.744 121.783 120.200 -0.269 0.000 2.790 137 E HA 0.343 3.987 4.350 -1.177 0.000 0.256 137 E C -0.034 176.435 176.600 -0.219 0.000 1.246 137 E CA -0.565 55.690 56.400 -0.242 0.000 1.041 137 E CB 1.160 30.428 29.700 -0.720 0.000 1.272 137 E HN 0.636 nan 8.360 nan 0.000 0.603 138 c N 0.060 118.422 118.600 -0.396 0.000 2.679 138 c HA 0.334 4.198 4.570 -1.177 0.000 0.417 138 c C 1.644 175.574 174.090 -0.267 0.000 1.302 138 c CA 1.076 57.155 56.329 -0.416 0.000 1.973 138 c CB -0.745 41.463 42.510 -0.503 0.000 2.715 138 c HN 0.945 nan 8.230 nan 0.000 0.628 139 G N 2.135 110.755 108.800 -0.300 0.000 2.179 139 G HA2 -0.240 3.014 3.960 -1.177 0.000 0.260 139 G HA3 -0.240 3.014 3.960 -1.177 0.000 0.260 139 G C -0.138 174.559 174.900 -0.339 0.000 0.977 139 G CA 0.319 45.251 45.100 -0.279 0.000 0.641 139 G HN 0.699 nan 8.290 nan 0.000 0.533 140 I N 0.374 120.706 120.570 -0.398 0.000 2.530 140 I HA 0.477 3.941 4.170 -1.177 0.000 0.297 140 I C -0.410 175.422 176.117 -0.475 0.000 1.011 140 I CA -1.204 59.793 61.300 -0.506 0.000 1.107 140 I CB 2.020 39.595 38.000 -0.707 0.000 1.285 140 I HN 0.048 nan 8.210 nan 0.000 0.436 141 N N 3.550 121.923 118.700 -0.545 0.000 2.442 141 N HA 0.292 4.326 4.740 -1.177 0.000 0.274 141 N C -1.167 174.276 175.510 -0.112 0.000 1.002 141 N CA -0.509 52.260 53.050 -0.468 0.000 0.910 141 N CB 1.603 39.558 38.487 -0.886 0.000 1.244 141 N HN 0.587 nan 8.380 nan 0.000 0.492 142 S N 1.967 117.701 115.700 0.055 0.000 2.410 142 S HA 0.815 4.579 4.470 -1.177 0.000 0.304 142 S C -0.110 174.855 174.600 0.608 0.000 1.095 142 S CA -0.871 57.510 58.200 0.302 0.000 1.089 142 S CB 1.021 64.260 63.200 0.065 0.000 0.968 142 S HN 0.659 nan 8.310 nan 0.000 0.480 143 A N 3.550 126.827 122.820 0.762 0.000 2.374 143 A HA 0.828 4.442 4.320 -1.177 0.000 0.317 143 A C -0.935 176.854 177.584 0.342 0.000 1.094 143 A CA -0.889 51.517 52.037 0.615 0.000 0.765 143 A CB 1.315 20.608 19.000 0.487 0.000 1.268 143 A HN 0.969 nan 8.150 nan 0.000 0.438 144 L N 2.957 124.229 121.223 0.081 0.000 2.372 144 L HA 0.773 4.407 4.340 -1.177 0.000 0.274 144 L C -1.499 175.318 176.870 -0.089 0.000 0.988 144 L CA -0.601 53.949 54.840 -0.483 0.000 0.833 144 L CB 1.303 42.476 42.059 -1.477 0.000 1.236 144 L HN 0.897 nan 8.230 nan 0.000 0.410 145 Y N 2.109 122.181 120.300 -0.381 0.000 2.705 145 Y HA 0.626 4.473 4.550 -1.172 0.000 0.332 145 Y C -1.880 173.783 175.900 -0.396 0.000 1.221 145 Y CA -2.129 55.807 58.100 -0.275 0.000 1.059 145 Y CB 0.835 39.311 38.460 0.026 0.000 1.298 145 Y HN 0.267 nan 8.280 nan 0.000 0.459 146 F N 1.765 121.718 119.950 0.004 0.000 2.469 146 F HA 0.720 4.539 4.527 -1.181 0.000 0.332 146 F C 0.050 175.807 175.800 -0.072 0.000 1.103 146 F CA -1.115 56.801 58.000 -0.139 0.000 0.979 146 F CB 2.206 41.125 39.000 -0.135 0.000 1.137 146 F HN 0.560 nan 8.300 nan 0.000 0.463 147 V N -0.091 119.853 119.914 0.050 0.000 3.102 147 V HA 0.832 4.246 4.120 -1.177 0.000 0.312 147 V C -0.302 175.756 176.094 -0.059 0.000 1.135 147 V CA -1.270 61.019 62.300 -0.018 0.000 1.022 147 V CB 1.497 33.232 31.823 -0.148 0.000 1.056 147 V HN 0.841 nan 8.190 nan 0.000 0.436 148 A N 2.827 125.610 122.820 -0.062 0.000 3.135 148 A HA 0.546 4.160 4.320 -1.177 0.000 0.253 148 A C 0.456 178.022 177.584 -0.031 0.000 1.638 148 A CA -0.323 51.691 52.037 -0.038 0.000 1.295 148 A CB -1.106 17.891 19.000 -0.006 0.000 1.106 148 A HN 0.836 nan 8.150 nan 0.000 0.648 149 M N 0.376 119.919 119.600 -0.096 0.000 2.207 149 M HA 0.100 3.874 4.480 -1.177 0.000 0.311 149 M C 0.485 176.765 176.300 -0.034 0.000 1.127 149 M CA 0.565 55.812 55.300 -0.088 0.000 1.181 149 M CB 0.375 32.787 32.600 -0.313 0.000 1.409 149 M HN 0.444 nan 8.290 nan 0.000 0.461 150 E N 1.273 121.455 120.200 -0.029 0.000 2.338 150 E HA -0.039 3.605 4.350 -1.177 0.000 0.272 150 E C 0.515 177.167 176.600 0.086 0.000 1.029 150 E CA -0.060 56.320 56.400 -0.033 0.000 0.872 150 E CB 0.924 30.528 29.700 -0.160 0.000 1.015 150 E HN 0.634 nan 8.360 nan 0.000 0.417 151 E N 2.988 123.216 120.200 0.047 0.000 2.085 151 E HA -0.235 3.409 4.350 -1.177 0.000 0.194 151 E C 0.873 177.441 176.600 -0.052 0.000 0.994 151 E CA 1.708 58.148 56.400 0.067 0.000 0.801 151 E CB 0.181 29.872 29.700 -0.015 0.000 0.743 151 E HN 0.523 nan 8.360 nan 0.000 0.453 152 D N -1.162 119.180 120.400 -0.096 0.000 2.328 152 D HA 0.060 3.994 4.640 -1.177 0.000 0.226 152 D C 1.146 177.344 176.300 -0.171 0.000 1.066 152 D CA 0.707 54.604 54.000 -0.172 0.000 0.861 152 D CB 0.192 40.918 40.800 -0.123 0.000 0.912 152 D HN 0.352 nan 8.370 nan 0.000 0.521 153 G N -0.404 108.375 108.800 -0.036 0.000 2.143 153 G HA2 -0.110 3.144 3.960 -1.177 0.000 0.248 153 G HA3 -0.110 3.144 3.960 -1.177 0.000 0.248 153 G C 1.119 176.013 174.900 -0.009 0.000 0.991 153 G CA 0.371 45.536 45.100 0.107 0.000 0.689 153 G HN 1.384 nan 8.290 nan 0.000 0.522 154 G N -1.348 107.393 108.800 -0.099 0.000 2.179 154 G HA2 -0.257 2.997 3.960 -1.177 0.000 0.220 154 G HA3 -0.257 2.997 3.960 -1.177 0.000 0.220 154 G C 1.376 176.209 174.900 -0.111 0.000 0.990 154 G CA 0.963 45.967 45.100 -0.159 0.000 0.646 154 G HN 0.737 nan 8.290 nan 0.000 0.517 155 M N 0.426 119.977 119.600 -0.081 0.000 2.082 155 M HA -0.142 3.632 4.480 -1.177 0.000 0.258 155 M C 3.027 179.275 176.300 -0.087 0.000 1.071 155 M CA 2.717 57.980 55.300 -0.062 0.000 1.103 155 M CB -0.767 31.796 32.600 -0.063 0.000 1.307 155 M HN 0.597 nan 8.290 nan 0.000 0.409 156 A N -0.272 122.477 122.820 -0.119 0.000 1.877 156 A HA -0.151 3.463 4.320 -1.177 0.000 0.216 156 A C 2.288 179.757 177.584 -0.192 0.000 1.186 156 A CA 2.290 54.250 52.037 -0.127 0.000 0.620 156 A CB -0.897 18.032 19.000 -0.119 0.000 0.822 156 A HN 0.515 nan 8.150 nan 0.000 0.443 157 S N -1.694 113.809 115.700 -0.329 0.000 2.399 157 S HA -0.058 3.706 4.470 -1.177 0.000 0.231 157 S C -0.239 173.965 174.600 -0.661 0.000 1.022 157 S CA 0.954 58.801 58.200 -0.588 0.000 0.983 157 S CB -0.290 62.350 63.200 -0.934 0.000 0.803 157 S HN 0.582 nan 8.310 nan 0.000 0.480 158 Y N -0.171 120.082 120.300 -0.078 0.000 2.681 158 Y HA 0.389 4.232 4.550 -1.178 0.000 0.347 158 Y C -2.453 173.416 175.900 -0.052 0.000 1.029 158 Y CA -3.053 55.014 58.100 -0.056 0.000 1.279 158 Y CB 0.591 39.020 38.460 -0.051 0.000 1.096 158 Y HN 0.020 nan 8.280 nan 0.000 0.580 159 P HA -0.165 nan 4.420 nan 0.000 0.223 159 P C 1.408 178.717 177.300 0.014 0.000 1.144 159 P CA 1.754 64.865 63.100 0.019 0.000 0.783 159 P CB 0.273 31.977 31.700 0.006 0.000 0.771 160 S N -1.936 113.787 115.700 0.038 0.000 2.447 160 S HA -0.098 3.666 4.470 -1.177 0.000 0.233 160 S C 1.187 175.771 174.600 -0.028 0.000 1.006 160 S CA 0.334 58.540 58.200 0.010 0.000 0.957 160 S CB -1.127 62.092 63.200 0.031 0.000 0.773 160 S HN 0.097 nan 8.310 nan 0.000 0.507 161 N N 2.311 121.007 118.700 -0.006 0.000 2.415 161 N HA 0.132 4.166 4.740 -1.177 0.000 0.250 161 N C 0.143 175.615 175.510 -0.062 0.000 1.127 161 N CA 0.066 53.087 53.050 -0.049 0.000 0.945 161 N CB 0.364 38.858 38.487 0.012 0.000 1.196 161 N HN 0.422 nan 8.380 nan 0.000 0.499 162 Q N 1.793 121.528 119.800 -0.109 0.000 2.194 162 Q HA 0.252 3.886 4.340 -1.177 0.000 0.214 162 Q C 0.472 176.405 176.000 -0.112 0.000 0.838 162 Q CA -0.192 55.553 55.803 -0.098 0.000 0.972 162 Q CB 0.758 29.432 28.738 -0.106 0.000 1.131 162 Q HN 0.710 nan 8.270 nan 0.000 0.498 163 A N 0.389 123.132 122.820 -0.129 0.000 1.963 163 A HA 0.560 4.174 4.320 -1.177 0.000 0.211 163 A C 1.087 178.713 177.584 0.070 0.000 1.380 163 A CA 1.094 53.065 52.037 -0.111 0.000 0.690 163 A CB -0.305 18.526 19.000 -0.282 0.000 1.060 163 A HN 0.380 nan 8.150 nan 0.000 0.498 164 G N -1.935 106.891 108.800 0.043 0.000 2.568 164 G HA2 0.191 3.445 3.960 -1.177 0.000 0.222 164 G HA3 0.191 3.445 3.960 -1.177 0.000 0.222 164 G C 1.104 176.018 174.900 0.022 0.000 1.321 164 G CA 0.829 45.940 45.100 0.018 0.000 0.893 164 G HN 1.533 nan 8.290 nan 0.000 0.569 165 A N -0.425 122.295 122.820 -0.166 0.000 1.917 165 A HA -0.088 3.526 4.320 -1.177 0.000 0.219 165 A C 2.390 179.873 177.584 -0.168 0.000 1.182 165 A CA 2.787 54.559 52.037 -0.442 0.000 0.633 165 A CB -0.571 17.810 19.000 -1.031 0.000 0.819 165 A HN 1.142 nan 8.150 nan 0.000 0.448 166 R N -2.074 118.401 120.500 -0.043 0.000 2.154 166 R HA -0.210 3.424 4.340 -1.177 0.000 0.248 166 R C 0.736 177.026 176.300 -0.017 0.000 1.155 166 R CA 1.995 58.135 56.100 0.067 0.000 0.979 166 R CB -0.275 30.074 30.300 0.081 0.000 0.869 166 R HN 0.668 nan 8.270 nan 0.000 0.452 167 Y N -1.480 118.885 120.300 0.109 0.000 2.584 167 Y HA 0.274 4.118 4.550 -1.177 0.000 0.254 167 Y C 1.114 177.091 175.900 0.128 0.000 1.177 167 Y CA 0.261 58.427 58.100 0.110 0.000 1.216 167 Y CB 1.429 39.912 38.460 0.038 0.000 1.172 167 Y HN 0.278 nan 8.280 nan 0.000 0.529 168 G N 1.306 110.266 108.800 0.266 0.000 2.147 168 G HA2 -0.319 2.935 3.960 -1.177 0.000 0.244 168 G HA3 -0.319 2.935 3.960 -1.177 0.000 0.244 168 G C 0.360 175.494 174.900 0.389 0.000 1.005 168 G CA 0.375 45.714 45.100 0.398 0.000 0.713 168 G HN 0.434 nan 8.290 nan 0.000 0.515 169 T N -2.828 111.902 114.554 0.294 0.000 2.813 169 T HA 0.592 4.236 4.350 -1.177 0.000 0.297 169 T C 1.647 176.492 174.700 0.240 0.000 1.036 169 T CA 0.975 63.211 62.100 0.227 0.000 1.044 169 T CB 1.683 70.627 68.868 0.127 0.000 0.993 169 T HN 2.143 nan 8.240 nan 0.000 0.535 170 G N -0.092 108.836 108.800 0.213 0.000 2.132 170 G HA2 -0.250 3.004 3.960 -1.177 0.000 0.234 170 G HA3 -0.250 3.004 3.960 -1.177 0.000 0.234 170 G C -0.170 174.866 174.900 0.226 0.000 0.989 170 G CA 0.090 45.301 45.100 0.185 0.000 0.676 170 G HN 1.159 nan 8.290 nan 0.000 0.522 171 Y N 1.337 121.693 120.300 0.093 0.000 2.683 171 Y HA 0.344 4.187 4.550 -1.178 0.000 0.340 171 Y C 1.109 177.078 175.900 0.115 0.000 1.245 171 Y CA 0.205 58.325 58.100 0.033 0.000 1.485 171 Y CB 0.332 38.873 38.460 0.136 0.000 1.328 171 Y HN 0.916 nan 8.280 nan 0.000 0.603 172 c N 4.363 122.530 118.600 -0.721 0.000 3.241 172 c HA 0.910 4.774 4.570 -1.177 0.000 0.312 172 c C -1.291 172.249 174.090 -0.916 0.000 1.350 172 c CA -0.492 55.446 56.329 -0.652 0.000 1.415 172 c CB 1.420 43.673 42.510 -0.429 0.000 1.770 172 c HN 0.976 nan 8.230 nan 0.000 0.466 173 D N -0.323 119.759 120.400 -0.531 0.000 2.692 173 D HA 0.502 4.436 4.640 -1.177 0.000 0.290 173 D C 0.151 176.310 176.300 -0.235 0.000 1.281 173 D CA -0.012 53.789 54.000 -0.332 0.000 0.804 173 D CB 1.140 41.812 40.800 -0.214 0.000 1.331 173 D HN 1.075 nan 8.370 nan 0.000 0.432 174 A N -0.504 122.190 122.820 -0.209 0.000 2.239 174 A HA -0.035 3.579 4.320 -1.177 0.000 0.209 174 A C 1.415 178.874 177.584 -0.207 0.000 1.171 174 A CA 0.894 52.819 52.037 -0.186 0.000 0.768 174 A CB -0.468 18.429 19.000 -0.172 0.000 0.790 174 A HN 0.351 nan 8.150 nan 0.000 0.478 175 Q N -1.473 118.196 119.800 -0.218 0.000 2.204 175 Q HA 0.097 3.731 4.340 -1.177 0.000 0.198 175 Q C 0.323 176.254 176.000 -0.114 0.000 0.946 175 Q CA 0.822 56.510 55.803 -0.192 0.000 0.859 175 Q CB -0.486 28.125 28.738 -0.211 0.000 0.946 175 Q HN 0.695 nan 8.270 nan 0.000 0.474 176 c N 0.369 118.909 118.600 -0.101 0.000 2.565 176 c HA -0.006 3.858 4.570 -1.177 0.000 0.297 176 c C 0.456 174.570 174.090 0.042 0.000 0.741 176 c CA -0.865 55.412 56.329 -0.086 0.000 2.875 176 c CB -1.788 40.676 42.510 -0.077 0.000 1.598 176 c HN 0.468 nan 8.230 nan 0.000 0.397 177 A N 3.870 126.714 122.820 0.040 0.000 3.026 177 A HA 0.323 3.937 4.320 -1.177 0.000 0.272 177 A C 1.288 178.872 177.584 0.000 0.000 1.782 177 A CA 0.022 52.138 52.037 0.131 0.000 1.451 177 A CB -0.113 19.057 19.000 0.283 0.000 1.081 177 A HN 0.841 nan 8.150 nan 0.000 0.611 178 R N 0.718 121.157 120.500 -0.101 0.000 2.339 178 R HA -0.054 3.580 4.340 -1.177 0.000 0.199 178 R C 0.611 176.719 176.300 -0.319 0.000 1.018 178 R CA 1.002 57.009 56.100 -0.155 0.000 1.036 178 R CB 0.171 30.397 30.300 -0.123 0.000 0.899 178 R HN 0.826 nan 8.270 nan 0.000 0.473 179 D N 0.196 120.274 120.400 -0.536 0.000 2.339 179 D HA -0.042 3.892 4.640 -1.177 0.000 0.217 179 D C 0.405 176.708 176.300 0.006 0.000 1.050 179 D CA 0.018 53.755 54.000 -0.439 0.000 0.856 179 D CB 0.146 40.547 40.800 -0.666 0.000 0.922 179 D HN 0.120 nan 8.370 nan 0.000 0.518 180 L N 0.713 121.975 121.223 0.064 0.000 2.426 180 L HA 0.163 3.797 4.340 -1.177 0.000 0.271 180 L C 1.627 178.612 176.870 0.192 0.000 1.169 180 L CA -0.363 54.557 54.840 0.134 0.000 0.836 180 L CB 0.852 43.020 42.059 0.181 0.000 1.112 180 L HN -0.302 nan 8.230 nan 0.000 0.465 181 K N 1.726 122.137 120.400 0.017 0.000 2.366 181 K HA 0.145 3.759 4.320 -1.177 0.000 0.198 181 K C -0.518 176.006 176.600 -0.127 0.000 1.044 181 K CA 0.797 56.985 56.287 -0.166 0.000 0.973 181 K CB 0.183 32.251 32.500 -0.721 0.000 0.767 181 K HN 0.254 nan 8.250 nan 0.000 0.475 182 F N -0.359 119.666 119.950 0.125 0.000 2.540 182 F HA 0.393 4.214 4.527 -1.177 0.000 0.317 182 F C -0.706 175.169 175.800 0.125 0.000 1.104 182 F CA -1.203 56.877 58.000 0.134 0.000 0.913 182 F CB 1.956 41.008 39.000 0.086 0.000 1.170 182 F HN -0.466 nan 8.300 nan 0.000 0.450 183 V N 1.851 121.910 119.914 0.243 0.000 2.524 183 V HA 0.584 3.998 4.120 -1.177 0.000 0.297 183 V C 0.157 176.228 176.094 -0.038 0.000 1.035 183 V CA -0.971 61.418 62.300 0.148 0.000 0.867 183 V CB 1.308 33.211 31.823 0.134 0.000 1.004 183 V HN 1.008 nan 8.190 nan 0.000 0.426 184 G N 3.577 112.330 108.800 -0.079 0.000 2.350 184 G HA2 0.087 3.341 3.960 -1.177 0.000 0.298 184 G HA3 0.087 3.341 3.960 -1.177 0.000 0.298 184 G C 1.093 175.712 174.900 -0.469 0.000 1.037 184 G CA 0.525 45.169 45.100 -0.761 0.000 1.074 184 G HN 2.440 nan 8.290 nan 0.000 0.511 185 G N -1.033 107.734 108.800 -0.056 0.000 2.321 185 G HA2 -0.228 3.026 3.960 -1.177 0.000 0.287 185 G HA3 -0.228 3.026 3.960 -1.177 0.000 0.287 185 G C 0.272 175.258 174.900 0.144 0.000 1.018 185 G CA 1.228 46.368 45.100 0.066 0.000 0.855 185 G HN 1.126 nan 8.290 nan 0.000 0.507 186 K N -0.677 119.845 120.400 0.204 0.000 2.501 186 K HA 0.695 4.309 4.320 -1.177 0.000 0.252 186 K C 0.107 176.760 176.600 0.088 0.000 0.934 186 K CA -0.184 56.197 56.287 0.158 0.000 0.797 186 K CB 2.116 34.593 32.500 -0.037 0.000 1.270 186 K HN 0.636 nan 8.250 nan 0.000 0.431 187 A N 1.852 124.558 122.820 -0.189 0.000 2.425 187 A HA 0.137 3.751 4.320 -1.177 0.000 0.249 187 A C 0.610 177.986 177.584 -0.346 0.000 1.084 187 A CA -0.135 51.474 52.037 -0.714 0.000 0.781 187 A CB 0.004 18.399 19.000 -1.009 0.000 1.019 187 A HN 0.654 nan 8.150 nan 0.000 0.490 188 N N 1.500 120.048 118.700 -0.253 0.000 2.313 188 N HA 0.025 4.059 4.740 -1.177 0.000 0.207 188 N C 1.231 176.654 175.510 -0.145 0.000 1.141 188 N CA 0.069 53.109 53.050 -0.015 0.000 0.830 188 N CB -0.245 38.440 38.487 0.329 0.000 1.008 188 N HN 0.775 nan 8.380 nan 0.000 0.481 189 I N 0.653 120.716 120.570 -0.843 0.000 2.248 189 I HA -0.249 3.215 4.170 -1.177 0.000 0.248 189 I C -0.379 175.471 176.117 -0.444 0.000 1.107 189 I CA 1.194 61.749 61.300 -1.242 0.000 1.373 189 I CB 0.246 37.331 38.000 -1.526 0.000 1.055 189 I HN 0.082 nan 8.210 nan 0.000 0.418 190 E N 1.302 121.320 120.200 -0.305 0.000 2.104 190 E HA 0.372 4.016 4.350 -1.177 0.000 0.278 190 E C 0.625 177.172 176.600 -0.090 0.000 1.127 190 E CA 0.586 56.879 56.400 -0.179 0.000 0.897 190 E CB 0.219 29.811 29.700 -0.180 0.000 1.043 190 E HN 0.443 nan 8.360 nan 0.000 0.410 191 G N 2.993 111.782 108.800 -0.018 0.000 2.137 191 G HA2 -0.273 2.981 3.960 -1.177 0.000 0.237 191 G HA3 -0.273 2.981 3.960 -1.177 0.000 0.237 191 G C -0.408 174.551 174.900 0.100 0.000 1.002 191 G CA -0.409 44.702 45.100 0.018 0.000 0.702 191 G HN 0.631 nan 8.290 nan 0.000 0.515 192 W N 1.477 122.763 121.300 -0.024 0.000 2.489 192 W HA 0.491 4.446 4.660 -1.176 0.000 0.327 192 W C -0.076 176.482 176.519 0.065 0.000 1.436 192 W CA 0.070 57.456 57.345 0.068 0.000 1.315 192 W CB 0.505 30.111 29.460 0.243 0.000 1.373 192 W HN 0.025 nan 8.180 nan 0.000 0.557 193 K N 4.593 124.816 120.400 -0.295 0.000 2.263 193 K HA 0.150 3.764 4.320 -1.177 0.000 0.282 193 K C -0.267 176.081 176.600 -0.419 0.000 1.089 193 K CA -0.055 56.083 56.287 -0.248 0.000 0.907 193 K CB 0.605 32.996 32.500 -0.180 0.000 1.148 193 K HN 0.229 nan 8.250 nan 0.000 0.470 194 S N 1.479 117.071 115.700 -0.180 0.000 2.564 194 S HA 0.046 3.810 4.470 -1.177 0.000 0.278 194 S C 0.092 174.625 174.600 -0.112 0.000 1.333 194 S CA -0.564 57.566 58.200 -0.117 0.000 1.048 194 S CB 1.024 64.268 63.200 0.074 0.000 0.900 194 S HN 0.629 nan 8.310 nan 0.000 0.505 195 S N 1.586 117.222 115.700 -0.107 0.000 2.568 195 S HA 0.069 3.833 4.470 -1.177 0.000 0.282 195 S C 1.507 176.073 174.600 -0.058 0.000 1.338 195 S CA 0.048 58.196 58.200 -0.086 0.000 1.045 195 S CB 0.374 63.513 63.200 -0.102 0.000 0.873 195 S HN 0.870 nan 8.310 nan 0.000 0.516 196 T N 0.477 115.000 114.554 -0.052 0.000 3.100 196 T HA 0.072 3.716 4.350 -1.177 0.000 0.253 196 T C 1.309 176.009 174.700 -0.001 0.000 1.118 196 T CA 0.764 62.849 62.100 -0.025 0.000 1.058 196 T CB -0.299 68.553 68.868 -0.025 0.000 0.953 196 T HN 0.673 nan 8.240 nan 0.000 0.515 197 S N -0.809 114.894 115.700 0.006 0.000 2.593 197 S HA 0.222 3.986 4.470 -1.177 0.000 0.235 197 S C 0.166 174.817 174.600 0.084 0.000 1.059 197 S CA -0.398 57.859 58.200 0.096 0.000 0.953 197 S CB 0.098 63.435 63.200 0.228 0.000 0.897 197 S HN 0.324 nan 8.310 nan 0.000 0.507 198 D N 3.172 123.479 120.400 -0.156 0.000 2.443 198 D HA 0.429 4.363 4.640 -1.177 0.000 0.221 198 D C -2.208 174.055 176.300 -0.061 0.000 1.097 198 D CA -2.256 51.605 54.000 -0.232 0.000 0.865 198 D CB 1.715 42.166 40.800 -0.581 0.000 1.034 198 D HN -0.011 nan 8.370 nan 0.000 0.511 199 P HA -0.051 nan 4.420 nan 0.000 0.229 199 P C 0.519 177.840 177.300 0.035 0.000 1.150 199 P CA 0.803 63.914 63.100 0.019 0.000 0.765 199 P CB 0.353 32.069 31.700 0.026 0.000 0.783 200 N N -1.399 117.326 118.700 0.042 0.000 2.463 200 N HA 0.116 4.150 4.740 -1.177 0.000 0.183 200 N C 0.734 176.338 175.510 0.156 0.000 1.064 200 N CA 0.102 53.205 53.050 0.087 0.000 0.879 200 N CB 0.334 38.844 38.487 0.038 0.000 1.148 200 N HN 0.042 nan 8.380 nan 0.000 0.451 201 A N 0.573 123.443 122.820 0.082 0.000 2.282 201 A HA 0.786 4.400 4.320 -1.177 0.000 0.319 201 A C 0.354 177.992 177.584 0.090 0.000 1.121 201 A CA -0.184 51.904 52.037 0.084 0.000 0.836 201 A CB 1.195 20.180 19.000 -0.026 0.000 1.146 201 A HN 0.209 nan 8.150 nan 0.000 0.494 202 G N -1.500 107.268 108.800 -0.053 0.000 2.721 202 G HA2 0.573 3.827 3.960 -1.177 0.000 0.296 202 G HA3 0.573 3.827 3.960 -1.177 0.000 0.296 202 G C -1.814 172.368 174.900 -1.196 0.000 1.383 202 G CA -0.384 44.256 45.100 -0.767 0.000 0.788 202 G HN 1.097 nan 8.290 nan 0.000 0.500 203 V N 0.015 119.092 119.914 -1.396 0.000 2.577 203 V HA 0.789 4.203 4.120 -1.177 0.000 0.303 203 V C 0.667 176.338 176.094 -0.704 0.000 1.042 203 V CA 0.089 61.864 62.300 -0.876 0.000 0.872 203 V CB 1.385 32.972 31.823 -0.393 0.000 0.998 203 V HN 1.200 nan 8.190 nan 0.000 0.423 204 G N 4.008 112.645 108.800 -0.272 0.000 2.820 204 G HA2 0.656 3.910 3.960 -1.177 0.000 0.291 204 G HA3 0.656 3.910 3.960 -1.177 0.000 0.291 204 G C -1.875 172.980 174.900 -0.076 0.000 1.323 204 G CA -1.136 44.001 45.100 0.061 0.000 1.055 204 G HN 0.492 nan 8.290 nan 0.000 0.520 205 P HA 0.035 nan 4.420 nan 0.000 0.226 205 P C -0.112 177.050 177.300 -0.229 0.000 1.161 205 P CA 0.571 63.510 63.100 -0.269 0.000 0.804 205 P CB 0.236 31.658 31.700 -0.463 0.000 0.829 206 Y N 0.380 120.685 120.300 0.007 0.000 2.295 206 Y HA 0.529 4.372 4.550 -1.178 0.000 0.331 206 Y C 1.420 177.305 175.900 -0.025 0.000 1.311 206 Y CA -0.702 57.390 58.100 -0.013 0.000 1.430 206 Y CB 0.727 39.174 38.460 -0.021 0.000 1.339 206 Y HN -0.135 nan 8.280 nan 0.000 0.552 207 G N 0.106 108.986 108.800 0.132 0.000 2.741 207 G HA2 0.405 3.659 3.960 -1.177 0.000 0.293 207 G HA3 0.405 3.659 3.960 -1.177 0.000 0.293 207 G C -1.510 173.323 174.900 -0.112 0.000 1.457 207 G CA -0.953 44.154 45.100 0.011 0.000 1.098 207 G HN 0.598 nan 8.290 nan 0.000 0.536 208 S N 0.297 115.898 115.700 -0.165 0.000 2.411 208 S HA 0.575 4.339 4.470 -1.177 0.000 0.294 208 S C 0.142 174.448 174.600 -0.491 0.000 1.115 208 S CA -0.664 57.283 58.200 -0.422 0.000 1.071 208 S CB 0.467 63.475 63.200 -0.320 0.000 0.967 208 S HN 0.629 nan 8.310 nan 0.000 0.488 209 c N 3.329 121.503 118.600 -0.710 0.000 2.435 209 c HA 0.973 4.837 4.570 -1.177 0.000 0.333 209 c C 0.514 174.215 174.090 -0.649 0.000 1.202 209 c CA -0.728 55.197 56.329 -0.672 0.000 1.830 209 c CB -0.155 41.840 42.510 -0.857 0.000 2.326 209 c HN 1.256 nan 8.230 nan 0.000 0.507 210 c N 0.288 118.683 118.600 -0.342 0.000 3.231 210 c HA 0.843 4.707 4.570 -1.177 0.000 0.343 210 c C -0.053 173.995 174.090 -0.070 0.000 1.349 210 c CA -0.862 55.372 56.329 -0.157 0.000 1.209 210 c CB 0.360 42.789 42.510 -0.134 0.000 1.475 210 c HN 1.408 nan 8.230 nan 0.000 0.460 211 A N 0.373 123.191 122.820 -0.003 0.000 2.448 211 A HA 0.583 4.197 4.320 -1.177 0.000 0.239 211 A C 0.074 177.679 177.584 0.036 0.000 1.080 211 A CA 0.509 52.566 52.037 0.033 0.000 0.779 211 A CB 0.156 19.183 19.000 0.045 0.000 1.026 211 A HN 1.140 nan 8.150 nan 0.000 0.499 212 E N 0.778 121.043 120.200 0.107 0.000 2.294 212 E HA 0.451 4.095 4.350 -1.177 0.000 0.272 212 E C -1.949 174.832 176.600 0.301 0.000 0.896 212 E CA -0.507 55.995 56.400 0.171 0.000 0.802 212 E CB 0.849 30.590 29.700 0.067 0.000 1.267 212 E HN 0.471 nan 8.360 nan 0.000 0.406 213 I N 3.824 124.601 120.570 0.345 0.000 2.330 213 I HA 0.188 3.652 4.170 -1.177 0.000 0.286 213 I C -0.300 176.125 176.117 0.513 0.000 1.025 213 I CA -0.481 61.075 61.300 0.427 0.000 1.197 213 I CB 1.163 39.393 38.000 0.383 0.000 1.358 213 I HN 0.319 nan 8.210 nan 0.000 0.467 214 D N 6.579 127.292 120.400 0.521 0.000 2.508 214 D HA 0.072 4.006 4.640 -1.177 0.000 0.224 214 D C 1.493 178.149 176.300 0.592 0.000 1.171 214 D CA 0.090 54.373 54.000 0.472 0.000 1.006 214 D CB 1.186 42.206 40.800 0.366 0.000 1.073 214 D HN 0.273 nan 8.370 nan 0.000 0.513 215 V N 1.077 121.311 119.914 0.532 0.000 2.332 215 V HA -0.151 3.263 4.120 -1.177 0.000 0.248 215 V C 0.922 177.282 176.094 0.443 0.000 1.055 215 V CA 1.054 63.609 62.300 0.425 0.000 1.038 215 V CB 0.029 32.024 31.823 0.288 0.000 0.651 215 V HN 0.613 nan 8.190 nan 0.000 0.450 216 W N 0.899 122.347 121.300 0.247 0.000 2.835 216 W HA 0.412 4.370 4.660 -1.171 0.000 0.326 216 W C -1.192 175.530 176.519 0.337 0.000 1.024 216 W CA -0.674 56.862 57.345 0.318 0.000 1.267 216 W CB 1.332 31.028 29.460 0.393 0.000 1.267 216 W HN 0.135 nan 8.180 nan 0.000 0.412 217 E N 3.559 123.749 120.200 -0.017 0.000 2.176 217 E HA 0.511 4.155 4.350 -1.177 0.000 0.267 217 E C -0.375 176.013 176.600 -0.354 0.000 0.893 217 E CA -0.176 56.203 56.400 -0.034 0.000 0.761 217 E CB 2.402 32.215 29.700 0.188 0.000 1.133 217 E HN 0.406 nan 8.360 nan 0.000 0.409 218 S N 2.462 117.996 115.700 -0.277 0.000 2.655 218 S HA 0.637 4.401 4.470 -1.177 0.000 0.266 218 S C -1.025 173.538 174.600 -0.061 0.000 1.149 218 S CA -1.079 56.966 58.200 -0.258 0.000 0.818 218 S CB 1.611 64.584 63.200 -0.379 0.000 1.130 218 S HN 0.644 nan 8.310 nan 0.000 0.476 219 N N -1.109 117.634 118.700 0.072 0.000 3.387 219 N HA 0.594 4.628 4.740 -1.177 0.000 0.294 219 N C 0.318 175.949 175.510 0.202 0.000 1.519 219 N CA -0.462 52.644 53.050 0.093 0.000 0.875 219 N CB 0.164 38.643 38.487 -0.013 0.000 1.657 219 N HN 1.045 nan 8.380 nan 0.000 0.527 220 A N -1.568 121.296 122.820 0.074 0.000 2.216 220 A HA 0.052 3.666 4.320 -1.177 0.000 0.214 220 A C 0.319 177.672 177.584 -0.384 0.000 1.160 220 A CA 1.041 52.965 52.037 -0.189 0.000 0.725 220 A CB -1.046 17.723 19.000 -0.385 0.000 0.784 220 A HN 0.578 nan 8.150 nan 0.000 0.472 221 Y N -1.969 118.360 120.300 0.048 0.000 2.430 221 Y HA 0.566 4.409 4.550 -1.179 0.000 0.254 221 Y C 0.893 176.917 175.900 0.208 0.000 1.088 221 Y CA 0.278 58.413 58.100 0.058 0.000 1.267 221 Y CB 0.484 38.914 38.460 -0.050 0.000 1.204 221 Y HN 0.332 nan 8.280 nan 0.000 0.515 222 A N 0.151 123.232 122.820 0.435 0.000 2.586 222 A HA 0.659 4.273 4.320 -1.177 0.000 0.291 222 A C -1.799 175.789 177.584 0.007 0.000 1.062 222 A CA -0.598 51.553 52.037 0.190 0.000 0.666 222 A CB 0.762 19.713 19.000 -0.082 0.000 1.281 222 A HN 0.209 nan 8.150 nan 0.000 0.421 223 F N -1.478 118.217 119.950 -0.424 0.000 2.686 223 F HA 0.940 4.768 4.527 -1.165 0.000 0.311 223 F C -0.474 175.177 175.800 -0.250 0.000 1.128 223 F CA -0.557 57.109 58.000 -0.557 0.000 0.946 223 F CB 1.320 39.657 39.000 -1.104 0.000 1.336 223 F HN 1.457 nan 8.300 nan 0.000 0.457 224 A N 2.107 124.895 122.820 -0.052 0.000 2.486 224 A HA 0.684 4.298 4.320 -1.177 0.000 0.300 224 A C -2.254 175.590 177.584 0.433 0.000 1.048 224 A CA -0.585 51.530 52.037 0.131 0.000 0.696 224 A CB 1.298 20.392 19.000 0.157 0.000 1.278 224 A HN 1.061 nan 8.150 nan 0.000 0.405 225 F N 2.743 122.900 119.950 0.346 0.000 2.332 225 F HA 0.517 4.350 4.527 -1.158 0.000 0.368 225 F C -0.518 175.449 175.800 0.280 0.000 1.110 225 F CA -0.268 57.962 58.000 0.383 0.000 1.087 225 F CB 1.087 40.348 39.000 0.436 0.000 1.235 225 F HN 0.481 nan 8.300 nan 0.000 0.470 226 T N 6.944 121.791 114.554 0.488 0.000 2.930 226 T HA 0.286 3.930 4.350 -1.177 0.000 0.313 226 T C -2.824 171.986 174.700 0.183 0.000 1.019 226 T CA -1.397 60.815 62.100 0.187 0.000 1.004 226 T CB 1.365 70.330 68.868 0.161 0.000 0.987 226 T HN 0.334 nan 8.240 nan 0.000 0.456 227 P HA 0.267 nan 4.420 nan 0.000 0.280 227 P C -0.879 176.432 177.300 0.018 0.000 1.244 227 P CA -0.390 62.777 63.100 0.112 0.000 0.784 227 P CB 0.703 32.417 31.700 0.024 0.000 0.913 228 H N 1.049 120.209 119.070 0.149 0.000 2.589 228 H HA 0.638 4.507 4.556 -1.145 0.000 0.351 228 H C -0.439 174.928 175.328 0.064 0.000 1.074 228 H CA -0.903 55.219 56.048 0.123 0.000 1.203 228 H CB 2.426 32.236 29.762 0.081 0.000 1.558 228 H HN 0.511 nan 8.280 nan 0.000 0.522 229 A N 1.869 124.763 122.820 0.124 0.000 2.387 229 A HA 0.752 4.366 4.320 -1.177 0.000 0.303 229 A C -0.575 177.022 177.584 0.022 0.000 1.145 229 A CA -0.457 51.597 52.037 0.028 0.000 0.801 229 A CB 1.153 20.106 19.000 -0.077 0.000 1.342 229 A HN 0.774 nan 8.150 nan 0.000 0.440 230 c N -1.233 117.376 118.600 0.014 0.000 3.044 230 c HA 0.644 4.508 4.570 -1.177 0.000 0.315 230 c C 1.875 175.955 174.090 -0.017 0.000 1.320 230 c CA 0.315 56.659 56.329 0.025 0.000 1.582 230 c CB 1.401 43.980 42.510 0.113 0.000 2.039 230 c HN 1.018 nan 8.230 nan 0.000 0.466 231 T N -2.469 112.063 114.554 -0.038 0.000 3.118 231 T HA 0.038 3.682 4.350 -1.177 0.000 0.260 231 T C 0.442 175.095 174.700 -0.078 0.000 1.139 231 T CA 0.918 62.981 62.100 -0.063 0.000 1.085 231 T CB -0.426 68.402 68.868 -0.068 0.000 0.934 231 T HN 0.693 nan 8.240 nan 0.000 0.518 232 T N 2.633 117.129 114.554 -0.097 0.000 2.963 232 T HA 0.355 3.999 4.350 -1.177 0.000 0.328 232 T C 0.398 175.127 174.700 0.048 0.000 1.048 232 T CA -0.796 61.248 62.100 -0.093 0.000 1.033 232 T CB 1.248 69.942 68.868 -0.290 0.000 1.010 232 T HN 0.121 nan 8.240 nan 0.000 0.469 233 N N 1.851 120.579 118.700 0.047 0.000 2.409 233 N HA -0.030 4.004 4.740 -1.177 0.000 0.179 233 N C 0.840 176.402 175.510 0.087 0.000 1.032 233 N CA 0.556 53.646 53.050 0.066 0.000 0.898 233 N CB 0.481 38.987 38.487 0.031 0.000 0.971 233 N HN 0.678 nan 8.380 nan 0.000 0.441 234 E N 0.522 120.784 120.200 0.103 0.000 2.369 234 E HA -0.052 3.592 4.350 -1.177 0.000 0.255 234 E C -0.142 176.568 176.600 0.185 0.000 1.172 234 E CA -0.726 55.743 56.400 0.116 0.000 0.932 234 E CB 0.210 29.967 29.700 0.094 0.000 1.040 234 E HN 0.133 nan 8.360 nan 0.000 0.454 235 Y N 2.754 123.069 120.300 0.025 0.000 2.954 235 Y HA -0.182 3.663 4.550 -1.175 0.000 0.351 235 Y C 0.379 176.340 175.900 0.102 0.000 1.282 235 Y CA 1.024 59.126 58.100 0.004 0.000 1.614 235 Y CB -0.012 38.458 38.460 0.016 0.000 1.183 235 Y HN 0.473 nan 8.280 nan 0.000 0.566 236 H N 3.063 122.023 119.070 -0.183 0.000 2.977 236 H HA 0.695 4.543 4.556 -1.179 0.000 0.350 236 H C -1.724 173.473 175.328 -0.218 0.000 1.238 236 H CA -1.223 54.789 56.048 -0.059 0.000 1.124 236 H CB 0.793 30.541 29.762 -0.022 0.000 1.866 236 H HN 0.346 nan 8.280 nan 0.000 0.550 237 V N 1.611 121.546 119.914 0.036 0.000 2.417 237 V HA 0.295 3.709 4.120 -1.177 0.000 0.291 237 V C 0.868 176.992 176.094 0.050 0.000 1.024 237 V CA -0.614 61.649 62.300 -0.061 0.000 0.861 237 V CB 0.843 32.616 31.823 -0.083 0.000 0.985 237 V HN 1.050 nan 8.190 nan 0.000 0.436 238 c N 2.740 121.362 118.600 0.036 0.000 2.423 238 c HA 0.964 4.828 4.570 -1.177 0.000 0.378 238 c C -0.304 173.873 174.090 0.145 0.000 1.244 238 c CA -0.723 55.664 56.329 0.096 0.000 1.978 238 c CB 1.299 43.855 42.510 0.076 0.000 2.252 238 c HN 1.008 nan 8.230 nan 0.000 0.526 239 E N 0.116 120.396 120.200 0.134 0.000 2.290 239 E HA 0.472 4.116 4.350 -1.177 0.000 0.274 239 E C 0.610 177.247 176.600 0.063 0.000 0.889 239 E CA 0.441 56.931 56.400 0.151 0.000 0.760 239 E CB 1.780 31.605 29.700 0.208 0.000 1.206 239 E HN 1.359 nan 8.360 nan 0.000 0.419 240 T N 0.864 115.429 114.554 0.018 0.000 12.930 240 T HA -0.438 3.206 4.350 -1.177 0.000 0.400 240 T C 1.485 176.196 174.700 0.018 0.000 1.463 240 T CA 2.574 64.673 62.100 -0.001 0.000 2.252 240 T CB -2.561 66.296 68.868 -0.018 0.000 2.673 240 T HN 0.873 nan 8.240 nan 0.000 0.523 241 T N -0.102 114.464 114.554 0.019 0.000 3.163 241 T HA 0.185 3.829 4.350 -1.177 0.000 0.260 241 T C 1.064 175.784 174.700 0.033 0.000 1.156 241 T CA 1.137 63.253 62.100 0.026 0.000 1.072 241 T CB -0.753 68.128 68.868 0.022 0.000 0.937 241 T HN 0.816 nan 8.240 nan 0.000 0.528 242 N N -0.272 118.451 118.700 0.038 0.000 2.204 242 N HA 0.274 4.308 4.740 -1.177 0.000 0.219 242 N C -0.714 174.826 175.510 0.050 0.000 1.151 242 N CA -0.350 52.727 53.050 0.044 0.000 0.867 242 N CB 0.419 38.935 38.487 0.048 0.000 1.043 242 N HN 0.326 nan 8.380 nan 0.000 0.516 243 c N 0.452 119.077 118.600 0.042 0.000 2.341 243 c HA 0.776 4.640 4.570 -1.177 0.000 0.338 243 c C 1.440 175.540 174.090 0.017 0.000 1.257 243 c CA -0.853 55.496 56.329 0.033 0.000 1.883 243 c CB 0.489 43.017 42.510 0.030 0.000 2.334 243 c HN 0.480 nan 8.230 nan 0.000 0.524 244 G N 1.014 109.812 108.800 -0.003 0.000 2.782 244 G HA2 0.750 4.004 3.960 -1.177 0.000 0.201 244 G HA3 0.750 4.004 3.960 -1.177 0.000 0.201 244 G C 0.150 174.995 174.900 -0.092 0.000 1.374 244 G CA 0.232 45.306 45.100 -0.045 0.000 1.039 244 G HN 1.694 nan 8.290 nan 0.000 0.576 245 G N -2.599 106.092 108.800 -0.182 0.000 2.756 245 G HA2 -0.020 3.234 3.960 -1.177 0.000 0.678 245 G HA3 -0.020 3.234 3.960 -1.177 0.000 0.678 245 G C 0.741 175.478 174.900 -0.272 0.000 1.349 245 G CA 0.405 45.371 45.100 -0.223 0.000 0.847 245 G HN 0.992 nan 8.290 nan 0.000 0.548 246 T N 0.045 114.341 114.554 -0.429 0.000 2.962 246 T HA -0.018 3.626 4.350 -1.177 0.000 0.270 246 T C 1.791 176.123 174.700 -0.612 0.000 1.088 246 T CA 2.547 64.299 62.100 -0.580 0.000 1.127 246 T CB -0.251 68.114 68.868 -0.838 0.000 0.883 246 T HN 0.430 nan 8.240 nan 0.000 0.493 247 Y N 0.912 121.048 120.300 -0.273 0.000 2.466 247 Y HA 0.368 4.215 4.550 -1.172 0.000 0.272 247 Y C 1.513 177.377 175.900 -0.059 0.000 1.169 247 Y CA -0.525 57.461 58.100 -0.190 0.000 1.285 247 Y CB 0.161 38.516 38.460 -0.176 0.000 1.078 247 Y HN 0.065 nan 8.280 nan 0.000 0.523 248 S N -0.549 115.181 115.700 0.050 0.000 2.748 248 S HA 0.163 3.927 4.470 -1.177 0.000 0.299 248 S C 1.009 175.638 174.600 0.048 0.000 1.119 248 S CA -0.718 57.511 58.200 0.048 0.000 0.997 248 S CB 1.219 64.433 63.200 0.023 0.000 1.223 248 S HN 0.226 nan 8.310 nan 0.000 0.541 249 E N 0.789 121.016 120.200 0.044 0.000 2.028 249 E HA -0.064 3.580 4.350 -1.177 0.000 0.191 249 E C -0.137 176.498 176.600 0.058 0.000 0.988 249 E CA 0.930 57.360 56.400 0.050 0.000 0.799 249 E CB 0.145 29.870 29.700 0.043 0.000 0.755 249 E HN 0.376 nan 8.360 nan 0.000 0.447 250 D N -0.740 119.693 120.400 0.056 0.000 2.471 250 D HA 0.097 4.031 4.640 -1.177 0.000 0.245 250 D C 0.375 176.698 176.300 0.039 0.000 1.116 250 D CA -0.375 53.679 54.000 0.090 0.000 0.853 250 D CB 1.047 41.912 40.800 0.109 0.000 1.123 250 D HN -0.114 nan 8.370 nan 0.000 0.540 251 R N 2.711 123.194 120.500 -0.028 0.000 2.170 251 R HA -0.135 3.499 4.340 -1.177 0.000 0.242 251 R C 0.588 176.538 176.300 -0.583 0.000 1.145 251 R CA 1.654 57.539 56.100 -0.358 0.000 0.984 251 R CB -0.113 29.842 30.300 -0.576 0.000 0.869 251 R HN 0.357 nan 8.270 nan 0.000 0.455 252 F N -0.226 119.733 119.950 0.015 0.000 2.678 252 F HA 0.423 4.230 4.527 -1.199 0.000 0.305 252 F C 1.106 176.914 175.800 0.012 0.000 1.090 252 F CA -0.233 57.776 58.000 0.015 0.000 1.272 252 F CB 0.182 39.191 39.000 0.016 0.000 1.060 252 F HN 0.064 nan 8.300 nan 0.000 0.576 253 A N 0.408 123.295 122.820 0.112 0.000 2.256 253 A HA 0.615 4.229 4.320 -1.177 0.000 0.276 253 A C 1.323 178.941 177.584 0.056 0.000 1.259 253 A CA 0.358 52.444 52.037 0.082 0.000 0.813 253 A CB -0.888 18.149 19.000 0.061 0.000 1.200 253 A HN 0.600 nan 8.150 nan 0.000 0.506 254 G N -0.850 107.981 108.800 0.051 0.000 2.641 254 G HA2 -0.253 3.001 3.960 -1.177 0.000 0.254 254 G HA3 -0.253 3.001 3.960 -1.177 0.000 0.254 254 G C 0.320 175.252 174.900 0.053 0.000 1.315 254 G CA 0.703 45.836 45.100 0.055 0.000 0.907 254 G HN 0.862 nan 8.290 nan 0.000 0.572 255 K N -0.949 119.496 120.400 0.074 0.000 2.353 255 K HA 0.330 3.944 4.320 -1.177 0.000 0.195 255 K C 0.684 177.316 176.600 0.053 0.000 1.031 255 K CA 0.227 56.536 56.287 0.036 0.000 1.079 255 K CB 0.452 32.925 32.500 -0.045 0.000 0.857 255 K HN 0.449 nan 8.250 nan 0.000 0.535 256 c N 1.225 119.867 118.600 0.069 0.000 2.349 256 c HA 0.257 4.121 4.570 -1.177 0.000 0.361 256 c C 0.016 174.135 174.090 0.048 0.000 1.189 256 c CA -1.049 55.313 56.329 0.054 0.000 2.155 256 c CB 1.050 43.577 42.510 0.028 0.000 2.336 256 c HN 0.338 nan 8.230 nan 0.000 0.540 257 D N 0.554 121.000 120.400 0.077 0.000 2.428 257 D HA 0.402 4.336 4.640 -1.177 0.000 0.221 257 D C 0.643 177.056 176.300 0.188 0.000 1.123 257 D CA -0.190 53.888 54.000 0.129 0.000 0.869 257 D CB 1.007 41.897 40.800 0.150 0.000 1.032 257 D HN 0.603 nan 8.370 nan 0.000 0.506 258 A N 4.236 127.083 122.820 0.045 0.000 2.119 258 A HA -0.110 3.504 4.320 -1.177 0.000 0.217 258 A C 1.684 179.354 177.584 0.144 0.000 1.153 258 A CA 0.684 52.713 52.037 -0.014 0.000 0.692 258 A CB -0.041 18.812 19.000 -0.244 0.000 0.799 258 A HN 0.505 nan 8.150 nan 0.000 0.458 259 N N -0.709 118.095 118.700 0.174 0.000 2.432 259 N HA 0.257 4.291 4.740 -1.177 0.000 0.174 259 N C 1.147 176.673 175.510 0.025 0.000 1.037 259 N CA 1.135 54.277 53.050 0.153 0.000 0.892 259 N CB -0.069 38.543 38.487 0.208 0.000 1.049 259 N HN 0.595 nan 8.380 nan 0.000 0.442 260 G N 0.420 109.217 108.800 -0.005 0.000 2.741 260 G HA2 -0.256 2.998 3.960 -1.177 0.000 0.222 260 G HA3 -0.256 2.998 3.960 -1.177 0.000 0.222 260 G C -0.497 174.394 174.900 -0.015 0.000 1.364 260 G CA -0.235 44.710 45.100 -0.258 0.000 0.866 260 G HN 0.473 nan 8.290 nan 0.000 0.555 261 c N 2.299 120.770 118.600 -0.215 0.000 2.271 261 c HA 0.703 4.567 4.570 -1.177 0.000 0.323 261 c C -0.078 173.885 174.090 -0.211 0.000 1.245 261 c CA -0.196 55.930 56.329 -0.337 0.000 1.548 261 c CB -0.718 41.225 42.510 -0.945 0.000 2.214 261 c HN 0.919 nan 8.230 nan 0.000 0.477 262 D N 3.550 123.880 120.400 -0.116 0.000 2.217 262 D HA 0.262 4.196 4.640 -1.177 0.000 0.248 262 D C -1.265 175.061 176.300 0.043 0.000 1.008 262 D CA -0.379 53.614 54.000 -0.011 0.000 0.914 262 D CB 1.369 42.185 40.800 0.027 0.000 1.182 262 D HN 0.652 nan 8.370 nan 0.000 0.451 263 Y N 0.846 121.172 120.300 0.043 0.000 2.363 263 Y HA 0.219 4.070 4.550 -1.165 0.000 0.325 263 Y C -0.930 174.996 175.900 0.043 0.000 0.984 263 Y CA -0.874 57.268 58.100 0.070 0.000 1.248 263 Y CB 1.190 39.714 38.460 0.106 0.000 1.116 263 Y HN 0.354 nan 8.280 nan 0.000 0.470 264 N N 8.191 126.802 118.700 -0.149 0.000 2.479 264 N HA 0.310 4.344 4.740 -1.177 0.000 0.261 264 N C -2.277 173.080 175.510 -0.254 0.000 0.979 264 N CA -2.578 50.303 53.050 -0.282 0.000 0.930 264 N CB 2.189 40.555 38.487 -0.202 0.000 1.172 264 N HN 0.297 nan 8.380 nan 0.000 0.499 265 P HA -0.181 nan 4.420 nan 0.000 0.215 265 P C 1.164 178.527 177.300 0.104 0.000 1.157 265 P CA 1.118 64.278 63.100 0.100 0.000 0.868 265 P CB 0.050 31.933 31.700 0.305 0.000 0.788 266 Y N 1.800 122.094 120.300 -0.011 0.000 2.081 266 Y HA -0.229 3.611 4.550 -1.183 0.000 0.280 266 Y C 2.899 178.812 175.900 0.022 0.000 1.163 266 Y CA 1.932 60.047 58.100 0.024 0.000 1.135 266 Y CB -1.017 37.457 38.460 0.024 0.000 0.970 266 Y HN -0.226 nan 8.280 nan 0.000 0.498 267 R N -0.523 120.130 120.500 0.255 0.000 2.105 267 R HA -0.155 3.479 4.340 -1.177 0.000 0.239 267 R C 1.639 178.159 176.300 0.367 0.000 1.135 267 R CA 1.680 57.892 56.100 0.187 0.000 0.967 267 R CB -0.198 30.097 30.300 -0.009 0.000 0.861 267 R HN 0.303 nan 8.270 nan 0.000 0.442 268 M N -0.366 119.369 119.600 0.224 0.000 2.633 268 M HA 0.143 3.917 4.480 -1.177 0.000 0.226 268 M C 0.768 177.117 176.300 0.083 0.000 1.137 268 M CA 0.989 56.481 55.300 0.320 0.000 1.020 268 M CB 0.773 33.254 32.600 -0.198 0.000 1.675 268 M HN 0.556 nan 8.290 nan 0.000 0.500 269 G N 1.117 109.928 108.800 0.019 0.000 2.175 269 G HA2 -0.177 3.077 3.960 -1.177 0.000 0.182 269 G HA3 -0.177 3.077 3.960 -1.177 0.000 0.182 269 G C -0.136 174.615 174.900 -0.248 0.000 1.003 269 G CA -0.558 44.335 45.100 -0.344 0.000 0.666 269 G HN 0.467 nan 8.290 nan 0.000 0.506 270 N N 1.139 119.759 118.700 -0.132 0.000 2.904 270 N HA 0.279 4.313 4.740 -1.177 0.000 0.257 270 N C -1.917 173.522 175.510 -0.118 0.000 1.363 270 N CA -0.953 52.044 53.050 -0.089 0.000 0.856 270 N CB 2.230 40.716 38.487 -0.002 0.000 1.166 270 N HN 0.163 nan 8.380 nan 0.000 0.499 271 P HA -0.020 nan 4.420 nan 0.000 0.223 271 P C 0.183 177.340 177.300 -0.238 0.000 1.151 271 P CA 1.092 63.797 63.100 -0.657 0.000 0.787 271 P CB 0.633 31.987 31.700 -0.577 0.000 0.788 272 D N -1.792 118.567 120.400 -0.068 0.000 2.363 272 D HA 0.062 3.996 4.640 -1.177 0.000 0.214 272 D C 1.134 177.493 176.300 0.098 0.000 1.093 272 D CA -0.203 53.801 54.000 0.005 0.000 0.837 272 D CB -0.149 40.643 40.800 -0.013 0.000 0.948 272 D HN 0.108 nan 8.370 nan 0.000 0.507 273 F N 0.719 120.690 119.950 0.034 0.000 2.219 273 F HA 0.053 3.874 4.527 -1.177 0.000 0.294 273 F C 0.073 175.949 175.800 0.127 0.000 1.086 273 F CA 0.396 58.449 58.000 0.089 0.000 1.330 273 F CB 0.212 39.302 39.000 0.149 0.000 1.047 273 F HN -0.197 nan 8.300 nan 0.000 0.495 274 Y N 0.864 121.066 120.300 -0.163 0.000 2.361 274 Y HA 0.578 4.427 4.550 -1.168 0.000 0.337 274 Y C -0.173 175.658 175.900 -0.115 0.000 0.965 274 Y CA -0.136 57.805 58.100 -0.265 0.000 1.091 274 Y CB 1.184 39.685 38.460 0.068 0.000 1.182 274 Y HN 0.337 nan 8.280 nan 0.000 0.450 275 G N 4.298 112.724 108.800 -0.623 0.000 2.359 275 G HA2 0.081 3.335 3.960 -1.177 0.000 0.293 275 G HA3 0.081 3.335 3.960 -1.177 0.000 0.293 275 G C -1.873 172.741 174.900 -0.476 0.000 1.300 275 G CA -1.345 43.452 45.100 -0.505 0.000 0.888 275 G HN 0.369 nan 8.290 nan 0.000 0.541 276 K N 0.715 120.855 120.400 -0.434 0.000 2.402 276 K HA 0.424 4.038 4.320 -1.177 0.000 0.285 276 K C 1.223 177.686 176.600 -0.229 0.000 1.054 276 K CA 0.988 57.078 56.287 -0.328 0.000 1.001 276 K CB 0.588 32.901 32.500 -0.310 0.000 0.946 276 K HN 2.130 nan 8.250 nan 0.000 0.473 277 G N 2.704 111.377 108.800 -0.213 0.000 2.136 277 G HA2 -0.283 2.971 3.960 -1.177 0.000 0.242 277 G HA3 -0.283 2.971 3.960 -1.177 0.000 0.242 277 G C 0.131 174.932 174.900 -0.165 0.000 0.989 277 G CA 0.276 45.280 45.100 -0.159 0.000 0.682 277 G HN 0.534 nan 8.290 nan 0.000 0.522 278 K N -1.098 119.165 120.400 -0.228 0.000 2.393 278 K HA 0.602 4.216 4.320 -1.177 0.000 0.241 278 K C 1.759 178.211 176.600 -0.246 0.000 1.055 278 K CA -0.165 55.998 56.287 -0.207 0.000 0.951 278 K CB 0.491 32.865 32.500 -0.209 0.000 1.285 278 K HN -0.018 nan 8.250 nan 0.000 0.500 279 T N 0.956 115.387 114.554 -0.205 0.000 2.649 279 T HA -0.176 3.468 4.350 -1.177 0.000 0.268 279 T C 0.675 175.151 174.700 -0.373 0.000 1.036 279 T CA 1.254 63.238 62.100 -0.193 0.000 1.157 279 T CB -0.050 68.811 68.868 -0.012 0.000 0.861 279 T HN 0.199 nan 8.240 nan 0.000 0.445 280 L N 2.762 123.563 121.223 -0.703 0.000 2.264 280 L HA 0.346 3.980 4.340 -1.177 0.000 0.287 280 L C -0.826 175.592 176.870 -0.753 0.000 1.039 280 L CA -0.436 53.898 54.840 -0.844 0.000 0.829 280 L CB 0.778 42.076 42.059 -1.268 0.000 1.211 280 L HN 0.061 nan 8.230 nan 0.000 0.427 281 D N 2.923 122.992 120.400 -0.552 0.000 2.365 281 D HA 0.080 4.014 4.640 -1.177 0.000 0.237 281 D C 1.268 177.329 176.300 -0.398 0.000 1.190 281 D CA -0.133 53.616 54.000 -0.418 0.000 0.867 281 D CB 1.287 41.930 40.800 -0.263 0.000 1.050 281 D HN 0.651 nan 8.370 nan 0.000 0.491 282 T N -0.210 114.056 114.554 -0.480 0.000 3.160 282 T HA -0.092 3.552 4.350 -1.177 0.000 0.257 282 T C 1.619 176.212 174.700 -0.179 0.000 1.147 282 T CA 0.675 62.590 62.100 -0.310 0.000 1.064 282 T CB -0.224 68.366 68.868 -0.464 0.000 0.949 282 T HN 0.250 nan 8.240 nan 0.000 0.526 283 S N 0.572 116.156 115.700 -0.193 0.000 2.489 283 S HA 0.163 3.927 4.470 -1.177 0.000 0.228 283 S C 0.895 175.436 174.600 -0.097 0.000 0.995 283 S CA -0.583 57.530 58.200 -0.146 0.000 0.934 283 S CB -0.165 62.947 63.200 -0.146 0.000 0.771 283 S HN 0.583 nan 8.310 nan 0.000 0.522 284 R N 1.235 121.690 120.500 -0.075 0.000 2.832 284 R HA 0.499 4.133 4.340 -1.177 0.000 0.271 284 R C -0.681 175.624 176.300 0.009 0.000 0.996 284 R CA -1.073 55.001 56.100 -0.044 0.000 0.977 284 R CB 1.001 31.272 30.300 -0.049 0.000 1.168 284 R HN 0.328 nan 8.270 nan 0.000 0.482 285 K N 1.764 122.145 120.400 -0.032 0.000 2.436 285 K HA 0.152 3.766 4.320 -1.177 0.000 0.275 285 K C -0.911 175.691 176.600 0.003 0.000 0.999 285 K CA 0.143 56.379 56.287 -0.085 0.000 0.980 285 K CB 0.364 32.808 32.500 -0.093 0.000 0.919 285 K HN 0.491 nan 8.250 nan 0.000 0.484 286 F N -1.387 118.476 119.950 -0.145 0.000 2.685 286 F HA 0.502 4.322 4.527 -1.178 0.000 0.315 286 F C -1.248 174.422 175.800 -0.217 0.000 1.126 286 F CA -1.150 56.739 58.000 -0.184 0.000 0.950 286 F CB 1.348 40.203 39.000 -0.242 0.000 1.360 286 F HN 0.356 nan 8.300 nan 0.000 0.469 287 T N 1.834 116.373 114.554 -0.026 0.000 2.824 287 T HA 0.641 4.285 4.350 -1.177 0.000 0.280 287 T C -0.902 173.627 174.700 -0.286 0.000 0.995 287 T CA -0.569 61.369 62.100 -0.270 0.000 1.009 287 T CB 1.622 70.283 68.868 -0.345 0.000 0.955 287 T HN 0.563 nan 8.240 nan 0.000 0.452 288 V N 3.831 123.296 119.914 -0.748 0.000 2.459 288 V HA 0.564 3.978 4.120 -1.177 0.000 0.295 288 V C -0.318 175.233 176.094 -0.906 0.000 1.029 288 V CA -0.728 61.019 62.300 -0.921 0.000 0.874 288 V CB 1.703 32.667 31.823 -1.431 0.000 0.985 288 V HN 0.686 nan 8.190 nan 0.000 0.438 289 V N 3.542 122.912 119.914 -0.908 0.000 2.487 289 V HA 0.605 4.019 4.120 -1.177 0.000 0.298 289 V C -0.183 175.514 176.094 -0.660 0.000 1.028 289 V CA -0.252 61.585 62.300 -0.772 0.000 0.860 289 V CB 2.025 33.207 31.823 -1.068 0.000 0.991 289 V HN 0.910 nan 8.190 nan 0.000 0.427 290 S N 5.005 120.448 115.700 -0.428 0.000 2.561 290 S HA 0.689 4.453 4.470 -1.177 0.000 0.303 290 S C -0.604 173.623 174.600 -0.621 0.000 1.110 290 S CA -0.919 57.000 58.200 -0.468 0.000 1.034 290 S CB 1.671 64.624 63.200 -0.413 0.000 1.010 290 S HN 0.706 nan 8.310 nan 0.000 0.482 291 R N 1.577 121.720 120.500 -0.594 0.000 2.534 291 R HA 0.524 4.158 4.340 -1.177 0.000 0.301 291 R C -1.538 174.452 176.300 -0.516 0.000 0.961 291 R CA -0.503 55.290 56.100 -0.512 0.000 0.871 291 R CB 1.394 31.620 30.300 -0.123 0.000 1.170 291 R HN 0.530 nan 8.270 nan 0.000 0.446 292 F N 1.471 121.549 119.950 0.213 0.000 2.382 292 F HA 0.406 4.223 4.527 -1.184 0.000 0.361 292 F C 0.299 176.205 175.800 0.177 0.000 1.109 292 F CA -0.652 57.486 58.000 0.231 0.000 1.031 292 F CB 1.526 40.665 39.000 0.231 0.000 1.234 292 F HN 0.309 nan 8.300 nan 0.000 0.445 293 E N 0.912 121.292 120.200 0.302 0.000 2.336 293 E HA 0.238 3.882 4.350 -1.177 0.000 0.267 293 E C -1.083 175.650 176.600 0.221 0.000 0.906 293 E CA -1.371 55.157 56.400 0.213 0.000 0.781 293 E CB 2.113 31.893 29.700 0.133 0.000 1.261 293 E HN 0.555 nan 8.360 nan 0.000 0.436 294 E N 2.368 122.668 120.200 0.167 0.000 2.585 294 E HA -0.130 3.514 4.350 -1.177 0.000 0.252 294 E C -0.404 176.242 176.600 0.078 0.000 0.981 294 E CA 0.461 56.951 56.400 0.150 0.000 0.943 294 E CB -0.084 29.678 29.700 0.104 0.000 0.923 294 E HN 0.493 nan 8.360 nan 0.000 0.486 295 N N 2.593 121.319 118.700 0.042 0.000 2.741 295 N HA -0.272 3.762 4.740 -1.177 0.000 0.251 295 N C -1.037 174.223 175.510 -0.416 0.000 1.112 295 N CA 1.687 54.486 53.050 -0.419 0.000 0.750 295 N CB -1.070 37.237 38.487 -0.300 0.000 1.119 295 N HN 0.687 nan 8.380 nan 0.000 0.561 296 K N 0.182 120.584 120.400 0.004 0.000 2.606 296 K HA 0.365 3.979 4.320 -1.177 0.000 0.259 296 K C -1.624 175.109 176.600 0.222 0.000 1.001 296 K CA -0.607 55.719 56.287 0.065 0.000 0.881 296 K CB 0.742 33.244 32.500 0.004 0.000 1.288 296 K HN -0.073 nan 8.250 nan 0.000 0.452 297 L N 2.841 124.222 121.223 0.264 0.000 2.334 297 L HA 0.626 4.260 4.340 -1.177 0.000 0.275 297 L C -0.493 176.465 176.870 0.147 0.000 1.036 297 L CA 0.124 55.089 54.840 0.208 0.000 0.807 297 L CB 1.881 44.000 42.059 0.100 0.000 1.231 297 L HN 0.858 nan 8.230 nan 0.000 0.438 298 S N 2.061 117.893 115.700 0.220 0.000 2.556 298 S HA 0.817 4.581 4.470 -1.177 0.000 0.271 298 S C -1.059 173.678 174.600 0.228 0.000 1.135 298 S CA -0.865 57.451 58.200 0.193 0.000 0.858 298 S CB 2.070 65.326 63.200 0.093 0.000 1.114 298 S HN 0.558 nan 8.310 nan 0.000 0.468 299 Q N 0.516 120.407 119.800 0.152 0.000 2.340 299 Q HA 0.682 4.316 4.340 -1.177 0.000 0.276 299 Q C -2.085 173.848 176.000 -0.112 0.000 1.048 299 Q CA -0.836 54.924 55.803 -0.072 0.000 0.832 299 Q CB 2.044 30.745 28.738 -0.061 0.000 1.373 299 Q HN 0.908 nan 8.270 nan 0.000 0.409 300 Y N -0.213 119.830 120.300 -0.429 0.000 2.705 300 Y HA 0.785 4.627 4.550 -1.179 0.000 0.332 300 Y C -1.977 173.494 175.900 -0.715 0.000 1.221 300 Y CA -1.265 56.549 58.100 -0.476 0.000 1.059 300 Y CB 1.100 39.423 38.460 -0.228 0.000 1.298 300 Y HN 0.438 nan 8.280 nan 0.000 0.459 301 F N 1.011 120.970 119.950 0.016 0.000 2.598 301 F HA 0.773 4.592 4.527 -1.180 0.000 0.327 301 F C -0.709 175.001 175.800 -0.149 0.000 1.057 301 F CA -1.156 56.739 58.000 -0.175 0.000 0.957 301 F CB 2.078 40.971 39.000 -0.178 0.000 1.278 301 F HN 0.312 nan 8.300 nan 0.000 0.484 302 I N 1.326 121.863 120.570 -0.055 0.000 2.465 302 I HA 0.432 3.896 4.170 -1.177 0.000 0.291 302 I C -1.015 175.049 176.117 -0.087 0.000 1.014 302 I CA -0.507 60.680 61.300 -0.189 0.000 1.093 302 I CB 2.089 39.875 38.000 -0.358 0.000 1.267 302 I HN 0.552 nan 8.210 nan 0.000 0.431 303 Q N 5.100 124.850 119.800 -0.084 0.000 2.305 303 Q HA 0.252 3.886 4.340 -1.177 0.000 0.271 303 Q C -1.154 174.820 176.000 -0.043 0.000 1.046 303 Q CA -0.545 55.228 55.803 -0.051 0.000 0.798 303 Q CB 1.590 30.271 28.738 -0.094 0.000 1.286 303 Q HN 0.638 nan 8.270 nan 0.000 0.435 304 D N 3.186 123.573 120.400 -0.021 0.000 2.701 304 D HA -0.220 3.714 4.640 -1.177 0.000 0.235 304 D C 0.439 176.744 176.300 0.007 0.000 1.155 304 D CA 1.795 55.790 54.000 -0.009 0.000 0.649 304 D CB -1.270 39.517 40.800 -0.020 0.000 1.050 304 D HN 1.122 nan 8.370 nan 0.000 0.425 305 G N -0.269 108.543 108.800 0.021 0.000 2.149 305 G HA2 -0.335 2.919 3.960 -1.177 0.000 0.235 305 G HA3 -0.335 2.919 3.960 -1.177 0.000 0.235 305 G C 0.114 175.054 174.900 0.066 0.000 1.018 305 G CA 0.303 45.444 45.100 0.067 0.000 0.728 305 G HN 0.551 nan 8.290 nan 0.000 0.508 306 R N -0.512 119.971 120.500 -0.029 0.000 2.621 306 R HA 0.446 4.080 4.340 -1.177 0.000 0.284 306 R C -0.138 176.013 176.300 -0.248 0.000 0.998 306 R CA -0.988 55.069 56.100 -0.072 0.000 0.895 306 R CB 1.720 32.000 30.300 -0.034 0.000 1.195 306 R HN 0.139 nan 8.270 nan 0.000 0.450 307 K N 4.053 124.195 120.400 -0.431 0.000 2.349 307 K HA 0.208 3.822 4.320 -1.177 0.000 0.289 307 K C -0.717 175.786 176.600 -0.163 0.000 1.064 307 K CA 0.047 56.011 56.287 -0.538 0.000 0.947 307 K CB 0.393 32.404 32.500 -0.815 0.000 1.007 307 K HN 0.505 nan 8.250 nan 0.000 0.478 308 I N 4.592 125.156 120.570 -0.010 0.000 2.339 308 I HA 0.124 3.588 4.170 -1.177 0.000 0.290 308 I C -0.007 176.276 176.117 0.276 0.000 0.994 308 I CA -0.812 60.580 61.300 0.153 0.000 1.191 308 I CB 1.547 39.661 38.000 0.191 0.000 1.343 308 I HN 0.494 nan 8.210 nan 0.000 0.458 309 E N 6.278 126.592 120.200 0.191 0.000 2.331 309 E HA 0.382 4.026 4.350 -1.177 0.000 0.272 309 E C -0.256 176.421 176.600 0.128 0.000 1.036 309 E CA -0.361 56.111 56.400 0.121 0.000 0.864 309 E CB 1.316 31.028 29.700 0.020 0.000 1.035 309 E HN 0.405 nan 8.360 nan 0.000 0.408 310 I N 4.799 125.398 120.570 0.048 0.000 2.371 310 I HA 0.160 3.624 4.170 -1.177 0.000 0.290 310 I C -1.955 173.996 176.117 -0.277 0.000 1.028 310 I CA -1.926 59.279 61.300 -0.158 0.000 1.345 310 I CB 0.828 38.886 38.000 0.096 0.000 1.407 310 I HN 0.121 nan 8.210 nan 0.000 0.501 311 P HA 0.219 nan 4.420 nan 0.000 0.274 311 P C -2.461 174.805 177.300 -0.056 0.000 1.237 311 P CA -1.200 61.762 63.100 -0.230 0.000 0.793 311 P CB -0.062 31.480 31.700 -0.264 0.000 0.977 312 P HA 0.340 nan 4.420 nan 0.000 0.279 312 P C -2.680 174.707 177.300 0.144 0.000 1.282 312 P CA -1.914 61.242 63.100 0.092 0.000 0.788 312 P CB -0.813 30.904 31.700 0.028 0.000 1.139 313 P HA 0.150 nan 4.420 nan 0.000 0.276 313 P C 0.697 177.968 177.300 -0.048 0.000 1.252 313 P CA 0.148 63.300 63.100 0.087 0.000 0.802 313 P CB 0.016 31.822 31.700 0.176 0.000 1.035 314 T N -4.450 109.955 114.554 -0.248 0.000 3.054 314 T HA 0.149 3.793 4.350 -1.177 0.000 0.255 314 T C -0.128 174.373 174.700 -0.332 0.000 1.035 314 T CA -0.361 61.555 62.100 -0.308 0.000 0.941 314 T CB -0.666 67.962 68.868 -0.399 0.000 1.026 314 T HN 0.246 nan 8.240 nan 0.000 0.533 315 W N 3.083 124.398 121.300 0.025 0.000 2.469 315 W HA 0.499 4.467 4.660 -1.154 0.000 0.321 315 W C 0.620 177.135 176.519 -0.008 0.000 1.415 315 W CA -0.998 56.359 57.345 0.021 0.000 1.308 315 W CB 0.210 29.681 29.460 0.017 0.000 1.368 315 W HN 0.074 nan 8.180 nan 0.000 0.546 316 E N 1.879 122.207 120.200 0.213 0.000 2.452 316 E HA 0.240 3.884 4.350 -1.177 0.000 0.261 316 E C 1.208 177.874 176.600 0.109 0.000 0.987 316 E CA 1.729 58.201 56.400 0.120 0.000 0.926 316 E CB 0.575 30.331 29.700 0.092 0.000 0.934 316 E HN 0.652 nan 8.360 nan 0.000 0.452 317 G N 3.277 112.116 108.800 0.065 0.000 2.213 317 G HA2 -0.264 2.990 3.960 -1.177 0.000 0.236 317 G HA3 -0.264 2.990 3.960 -1.177 0.000 0.236 317 G C 0.331 175.244 174.900 0.022 0.000 0.991 317 G CA 0.220 45.342 45.100 0.036 0.000 0.629 317 G HN 0.467 nan 8.290 nan 0.000 0.517 318 M N 1.218 120.840 119.600 0.038 0.000 2.283 318 M HA 0.454 4.228 4.480 -1.177 0.000 0.314 318 M C -2.035 174.288 176.300 0.039 0.000 1.153 318 M CA -1.655 53.661 55.300 0.026 0.000 1.084 318 M CB 0.512 33.137 32.600 0.042 0.000 1.468 318 M HN -0.049 nan 8.290 nan 0.000 0.474 319 P HA 0.061 nan 4.420 nan 0.000 0.274 319 P C -0.880 176.445 177.300 0.040 0.000 1.231 319 P CA -0.278 62.842 63.100 0.033 0.000 0.790 319 P CB 0.284 32.001 31.700 0.028 0.000 0.951 320 N N 1.181 119.895 118.700 0.023 0.000 3.103 320 N HA 0.155 4.189 4.740 -1.177 0.000 0.305 320 N C -0.817 174.698 175.510 0.007 0.000 1.232 320 N CA 0.196 53.255 53.050 0.015 0.000 1.190 320 N CB -0.239 38.250 38.487 0.004 0.000 1.461 320 N HN 0.268 nan 8.380 nan 0.000 0.538 321 S N -0.396 115.314 115.700 0.018 0.000 2.586 321 S HA 0.083 3.847 4.470 -1.177 0.000 0.277 321 S C 0.313 174.896 174.600 -0.029 0.000 1.131 321 S CA -0.643 57.549 58.200 -0.014 0.000 0.848 321 S CB 0.700 63.888 63.200 -0.021 0.000 1.091 321 S HN 0.308 nan 8.310 nan 0.000 0.453 322 S N 1.446 117.049 115.700 -0.162 0.000 2.575 322 S HA 0.295 4.059 4.470 -1.177 0.000 0.215 322 S C 0.245 174.522 174.600 -0.538 0.000 0.966 322 S CA -0.309 57.556 58.200 -0.559 0.000 0.911 322 S CB -0.335 62.482 63.200 -0.638 0.000 0.780 322 S HN 0.705 nan 8.310 nan 0.000 0.514 323 E N 1.158 121.239 120.200 -0.198 0.000 2.383 323 E HA 0.295 3.939 4.350 -1.177 0.000 0.264 323 E C -0.729 175.847 176.600 -0.041 0.000 1.050 323 E CA -0.205 56.138 56.400 -0.095 0.000 0.896 323 E CB 0.654 30.335 29.700 -0.031 0.000 0.982 323 E HN 0.376 nan 8.360 nan 0.000 0.424 324 I N 3.040 123.609 120.570 -0.002 0.000 2.291 324 I HA 0.095 3.559 4.170 -1.177 0.000 0.292 324 I C 0.453 176.711 176.117 0.235 0.000 1.064 324 I CA -0.039 61.314 61.300 0.089 0.000 1.269 324 I CB 0.209 38.184 38.000 -0.041 0.000 1.418 324 I HN 0.481 nan 8.210 nan 0.000 0.485 325 T N 2.665 117.312 114.554 0.155 0.000 2.888 325 T HA 0.496 4.140 4.350 -1.177 0.000 0.288 325 T C -2.224 172.438 174.700 -0.064 0.000 1.063 325 T CA -2.021 60.011 62.100 -0.114 0.000 1.010 325 T CB 1.924 70.727 68.868 -0.108 0.000 1.214 325 T HN 0.086 nan 8.240 nan 0.000 0.533 326 P HA 0.006 nan 4.420 nan 0.000 0.218 326 P C 1.047 178.402 177.300 0.092 0.000 1.149 326 P CA 1.056 64.181 63.100 0.042 0.000 0.817 326 P CB 0.075 31.743 31.700 -0.053 0.000 0.785 327 E N -0.364 119.849 120.200 0.021 0.000 2.047 327 E HA -0.114 3.530 4.350 -1.177 0.000 0.191 327 E C 2.005 178.632 176.600 0.045 0.000 0.987 327 E CA 0.635 57.054 56.400 0.031 0.000 0.799 327 E CB -1.065 28.638 29.700 0.005 0.000 0.752 327 E HN 0.067 nan 8.360 nan 0.000 0.449 328 L N 0.618 121.870 121.223 0.048 0.000 2.042 328 L HA -0.200 3.434 4.340 -1.177 0.000 0.210 328 L C 1.830 178.709 176.870 0.016 0.000 1.076 328 L CA 1.785 56.652 54.840 0.045 0.000 0.749 328 L CB -0.625 41.486 42.059 0.087 0.000 0.893 328 L HN 0.343 nan 8.230 nan 0.000 0.432 329 c N -0.746 117.891 118.600 0.061 0.000 2.467 329 c HA -0.028 3.836 4.570 -1.177 0.000 0.279 329 c C 2.912 177.144 174.090 0.235 0.000 1.347 329 c CA 0.819 57.176 56.329 0.047 0.000 1.748 329 c CB -0.593 41.850 42.510 -0.112 0.000 1.977 329 c HN 0.598 nan 8.230 nan 0.000 0.501 330 S N 1.275 117.092 115.700 0.195 0.000 2.345 330 S HA -0.159 3.605 4.470 -1.177 0.000 0.219 330 S C 2.048 176.735 174.600 0.145 0.000 1.031 330 S CA 1.926 60.246 58.200 0.201 0.000 0.984 330 S CB -0.997 62.283 63.200 0.133 0.000 0.874 330 S HN 0.834 nan 8.310 nan 0.000 0.451 331 T N 0.830 115.415 114.554 0.053 0.000 2.929 331 T HA -0.020 3.624 4.350 -1.177 0.000 0.271 331 T C 1.676 176.298 174.700 -0.129 0.000 1.085 331 T CA 1.072 63.162 62.100 -0.016 0.000 1.125 331 T CB -0.492 68.362 68.868 -0.023 0.000 0.874 331 T HN 0.313 nan 8.240 nan 0.000 0.494 332 M N -0.178 119.300 119.600 -0.203 0.000 2.132 332 M HA 0.047 3.821 4.480 -1.177 0.000 0.263 332 M C 1.587 177.523 176.300 -0.606 0.000 1.065 332 M CA 1.584 56.543 55.300 -0.568 0.000 1.122 332 M CB -0.459 31.773 32.600 -0.614 0.000 1.365 332 M HN 0.312 nan 8.290 nan 0.000 0.411 333 F N 1.600 121.439 119.950 -0.185 0.000 2.293 333 F HA -0.195 4.314 4.527 -0.029 0.000 0.300 333 F C 1.966 177.713 175.800 -0.088 0.000 1.086 333 F CA 1.037 58.982 58.000 -0.091 0.000 1.375 333 F CB -0.616 38.371 39.000 -0.022 0.000 1.045 333 F HN 0.278 nan 8.300 nan 0.000 0.516 334 D N 0.494 120.914 120.400 0.034 0.000 2.173 334 D HA -0.191 3.743 4.640 -1.177 0.000 0.205 334 D C 2.529 178.782 176.300 -0.078 0.000 1.002 334 D CA 1.802 55.795 54.000 -0.012 0.000 0.881 334 D CB -0.989 39.793 40.800 -0.030 0.000 1.062 334 D HN 0.050 nan 8.370 nan 0.000 0.459 335 V N 0.953 120.751 119.914 -0.195 0.000 2.277 335 V HA -0.252 3.162 4.120 -1.177 0.000 0.255 335 V C 0.922 176.956 176.094 -0.100 0.000 1.074 335 V CA 1.385 63.544 62.300 -0.235 0.000 1.058 335 V CB -0.580 30.963 31.823 -0.465 0.000 0.656 335 V HN 0.070 nan 8.190 nan 0.000 0.449 336 F N 0.269 120.045 119.950 -0.290 0.000 2.411 336 F HA 0.372 4.141 4.527 -1.263 0.000 0.355 336 F C 0.710 176.429 175.800 -0.136 0.000 1.117 336 F CA -1.910 55.920 58.000 -0.283 0.000 1.139 336 F CB -0.529 38.260 39.000 -0.350 0.000 1.120 336 F HN -0.008 nan 8.300 nan 0.000 0.493 337 N N 2.124 120.872 118.700 0.080 0.000 3.085 337 N HA -0.077 3.957 4.740 -1.177 0.000 0.313 337 N C -0.401 175.165 175.510 0.094 0.000 1.277 337 N CA 0.213 53.301 53.050 0.063 0.000 1.150 337 N CB -0.295 38.205 38.487 0.023 0.000 1.437 337 N HN 0.441 nan 8.380 nan 0.000 0.558 338 D N 0.134 120.637 120.400 0.171 0.000 2.268 338 D HA 0.151 4.085 4.640 -1.177 0.000 0.249 338 D C -0.233 176.237 176.300 0.283 0.000 1.008 338 D CA -0.650 53.489 54.000 0.233 0.000 0.939 338 D CB 1.206 42.173 40.800 0.279 0.000 1.170 338 D HN 0.116 nan 8.370 nan 0.000 0.468 339 R N 1.872 122.467 120.500 0.159 0.000 2.401 339 R HA 0.036 3.670 4.340 -1.177 0.000 0.299 339 R C 0.309 176.602 176.300 -0.013 0.000 1.064 339 R CA -0.049 56.037 56.100 -0.023 0.000 1.000 339 R CB 0.097 30.199 30.300 -0.330 0.000 0.973 339 R HN 0.414 nan 8.270 nan 0.000 0.438 340 N N 3.281 121.845 118.700 -0.226 0.000 3.210 340 N HA -0.063 3.971 4.740 -1.177 0.000 0.314 340 N C 0.995 176.277 175.510 -0.380 0.000 1.291 340 N CA -0.327 52.282 53.050 -0.735 0.000 1.202 340 N CB 0.241 38.314 38.487 -0.691 0.000 1.475 340 N HN 0.468 nan 8.380 nan 0.000 0.554 341 R N 0.689 121.121 120.500 -0.113 0.000 2.133 341 R HA -0.212 3.422 4.340 -1.177 0.000 0.247 341 R C 1.384 177.704 176.300 0.034 0.000 1.151 341 R CA 1.646 57.794 56.100 0.080 0.000 0.971 341 R CB -0.694 29.841 30.300 0.391 0.000 0.866 341 R HN 0.547 nan 8.270 nan 0.000 0.447 342 F N 1.055 120.905 119.950 -0.167 0.000 2.069 342 F HA -0.200 3.679 4.527 -1.079 0.000 0.298 342 F C 2.230 177.949 175.800 -0.135 0.000 1.113 342 F CA 2.347 60.277 58.000 -0.116 0.000 1.214 342 F CB -0.430 38.531 39.000 -0.065 0.000 0.978 342 F HN 0.253 nan 8.300 nan 0.000 0.474 343 E N -0.041 120.112 120.200 -0.079 0.000 2.204 343 E HA -0.212 3.432 4.350 -1.177 0.000 0.194 343 E C 1.944 178.465 176.600 -0.131 0.000 0.989 343 E CA 1.225 57.556 56.400 -0.115 0.000 0.824 343 E CB -0.186 29.470 29.700 -0.073 0.000 0.756 343 E HN 0.616 nan 8.360 nan 0.000 0.477 344 E N 0.071 120.204 120.200 -0.112 0.000 2.118 344 E HA -0.169 3.475 4.350 -1.177 0.000 0.195 344 E C 1.907 178.460 176.600 -0.078 0.000 0.992 344 E CA 1.544 57.899 56.400 -0.075 0.000 0.804 344 E CB 0.029 29.704 29.700 -0.042 0.000 0.741 344 E HN 0.317 nan 8.360 nan 0.000 0.458 345 V N -2.829 117.022 119.914 -0.105 0.000 3.563 345 V HA 0.423 3.837 4.120 -1.177 0.000 0.299 345 V C 1.061 177.062 176.094 -0.156 0.000 1.290 345 V CA 0.501 62.737 62.300 -0.107 0.000 1.201 345 V CB -0.204 31.566 31.823 -0.089 0.000 1.045 345 V HN 0.318 nan 8.190 nan 0.000 0.425 346 G N -1.743 106.954 108.800 -0.172 0.000 2.211 346 G HA2 0.233 3.487 3.960 -1.177 0.000 0.201 346 G HA3 0.233 3.487 3.960 -1.177 0.000 0.201 346 G C 1.143 175.920 174.900 -0.205 0.000 0.997 346 G CA 0.088 45.098 45.100 -0.150 0.000 0.652 346 G HN 2.125 nan 8.290 nan 0.000 0.500 347 G N -0.813 107.740 108.800 -0.412 0.000 2.593 347 G HA2 -0.052 3.202 3.960 -1.177 0.000 0.237 347 G HA3 -0.052 3.202 3.960 -1.177 0.000 0.237 347 G C 0.581 175.231 174.900 -0.417 0.000 1.312 347 G CA 0.273 45.102 45.100 -0.452 0.000 0.896 347 G HN 1.141 nan 8.290 nan 0.000 0.574 348 F N 0.732 120.670 119.950 -0.021 0.000 2.407 348 F HA 0.136 3.951 4.527 -1.187 0.000 0.299 348 F C 2.577 178.405 175.800 0.046 0.000 1.097 348 F CA 1.796 59.884 58.000 0.147 0.000 1.422 348 F CB 0.170 39.331 39.000 0.268 0.000 1.067 348 F HN 0.539 nan 8.300 nan 0.000 0.539 349 E N 0.365 120.695 120.200 0.217 0.000 2.150 349 E HA -0.253 3.391 4.350 -1.177 0.000 0.193 349 E C 1.950 178.579 176.600 0.048 0.000 0.985 349 E CA 1.058 57.539 56.400 0.134 0.000 0.814 349 E CB -0.171 29.574 29.700 0.076 0.000 0.752 349 E HN 0.383 nan 8.360 nan 0.000 0.466 350 Q N -0.579 119.187 119.800 -0.056 0.000 2.230 350 Q HA -0.017 3.617 4.340 -1.177 0.000 0.202 350 Q C 1.881 177.830 176.000 -0.085 0.000 0.963 350 Q CA 0.796 56.542 55.803 -0.095 0.000 0.866 350 Q CB -0.253 28.381 28.738 -0.173 0.000 0.931 350 Q HN 0.368 nan 8.270 nan 0.000 0.452 351 L N 0.225 121.373 121.223 -0.125 0.000 2.056 351 L HA -0.082 3.552 4.340 -1.177 0.000 0.207 351 L C 1.200 178.092 176.870 0.037 0.000 1.078 351 L CA 1.968 56.746 54.840 -0.103 0.000 0.749 351 L CB -0.731 41.122 42.059 -0.343 0.000 0.901 351 L HN 0.284 nan 8.230 nan 0.000 0.433 352 N N -0.346 118.437 118.700 0.139 0.000 2.120 352 N HA -0.202 3.832 4.740 -1.177 0.000 0.188 352 N C 1.456 177.024 175.510 0.096 0.000 1.024 352 N CA 1.584 54.738 53.050 0.172 0.000 0.852 352 N CB -0.328 38.281 38.487 0.203 0.000 1.003 352 N HN 0.556 nan 8.380 nan 0.000 0.424 353 N N 0.887 119.623 118.700 0.059 0.000 2.069 353 N HA -0.139 3.895 4.740 -1.177 0.000 0.191 353 N C 1.884 177.411 175.510 0.029 0.000 1.031 353 N CA 1.026 54.098 53.050 0.036 0.000 0.852 353 N CB -0.148 38.348 38.487 0.015 0.000 1.018 353 N HN 0.224 nan 8.380 nan 0.000 0.423 354 A N 1.449 124.282 122.820 0.022 0.000 1.908 354 A HA -0.099 3.515 4.320 -1.177 0.000 0.218 354 A C 2.104 179.696 177.584 0.013 0.000 1.181 354 A CA 1.073 53.120 52.037 0.017 0.000 0.627 354 A CB -0.784 18.228 19.000 0.020 0.000 0.818 354 A HN 0.217 nan 8.150 nan 0.000 0.445 355 L N -1.570 119.675 121.223 0.036 0.000 2.353 355 L HA -0.105 3.529 4.340 -1.177 0.000 0.220 355 L C 2.205 179.090 176.870 0.025 0.000 1.133 355 L CA 0.968 55.827 54.840 0.032 0.000 0.798 355 L CB -0.261 41.867 42.059 0.115 0.000 0.922 355 L HN 0.322 nan 8.230 nan 0.000 0.445 356 R N -0.963 119.557 120.500 0.033 0.000 2.426 356 R HA 0.173 3.807 4.340 -1.177 0.000 0.263 356 R C -0.454 175.851 176.300 0.009 0.000 0.961 356 R CA -0.225 55.893 56.100 0.030 0.000 1.086 356 R CB 0.556 30.882 30.300 0.043 0.000 1.186 356 R HN 0.011 nan 8.270 nan 0.000 0.537 357 V N 2.300 122.209 119.914 -0.007 0.000 2.427 357 V HA 0.276 3.690 4.120 -1.177 0.000 0.286 357 V C -2.195 173.873 176.094 -0.043 0.000 1.034 357 V CA -2.484 59.806 62.300 -0.016 0.000 0.893 357 V CB 1.563 33.380 31.823 -0.009 0.000 0.982 357 V HN -0.010 nan 8.190 nan 0.000 0.452 358 P HA 0.197 nan 4.420 nan 0.000 0.267 358 P C -0.441 176.815 177.300 -0.073 0.000 1.205 358 P CA 0.207 63.269 63.100 -0.064 0.000 0.765 358 P CB 0.334 32.002 31.700 -0.052 0.000 0.828 359 M N 2.185 121.719 119.600 -0.110 0.000 2.578 359 M HA 0.370 4.144 4.480 -1.177 0.000 0.321 359 M C -0.378 175.950 176.300 0.047 0.000 1.182 359 M CA -0.978 54.269 55.300 -0.088 0.000 0.965 359 M CB 1.934 34.370 32.600 -0.275 0.000 1.694 359 M HN -0.012 nan 8.290 nan 0.000 0.461 360 V N 2.890 122.820 119.914 0.025 0.000 2.539 360 V HA 0.352 3.766 4.120 -1.177 0.000 0.292 360 V C -0.396 175.736 176.094 0.063 0.000 1.045 360 V CA -0.874 61.431 62.300 0.007 0.000 0.945 360 V CB 1.864 33.493 31.823 -0.323 0.000 0.993 360 V HN 0.662 nan 8.190 nan 0.000 0.464 361 L N 6.384 127.636 121.223 0.048 0.000 2.292 361 L HA 0.620 4.254 4.340 -1.177 0.000 0.284 361 L C -0.359 176.360 176.870 -0.252 0.000 1.065 361 L CA 0.321 55.031 54.840 -0.216 0.000 0.806 361 L CB 1.370 43.203 42.059 -0.376 0.000 1.175 361 L HN 0.418 nan 8.230 nan 0.000 0.431 362 V N 6.292 125.936 119.914 -0.450 0.000 2.628 362 V HA 0.570 3.984 4.120 -1.177 0.000 0.306 362 V C -0.021 175.772 176.094 -0.501 0.000 1.045 362 V CA -0.563 61.483 62.300 -0.424 0.000 0.905 362 V CB 1.736 33.137 31.823 -0.703 0.000 0.997 362 V HN 0.809 nan 8.190 nan 0.000 0.436 363 M N 4.269 123.652 119.600 -0.360 0.000 2.263 363 M HA 0.635 4.409 4.480 -1.177 0.000 0.295 363 M C -0.544 175.776 176.300 0.033 0.000 1.028 363 M CA -0.185 54.887 55.300 -0.380 0.000 0.921 363 M CB 2.249 34.484 32.600 -0.609 0.000 1.601 363 M HN 0.836 nan 8.290 nan 0.000 0.440 364 S N 3.386 119.270 115.700 0.307 0.000 2.638 364 S HA 0.872 4.636 4.470 -1.177 0.000 0.274 364 S C -1.213 173.729 174.600 0.569 0.000 1.157 364 S CA -0.885 57.553 58.200 0.397 0.000 0.826 364 S CB 2.370 65.782 63.200 0.353 0.000 1.139 364 S HN 0.819 nan 8.310 nan 0.000 0.474 365 I N 1.729 122.607 120.570 0.513 0.000 2.722 365 I HA 0.708 4.173 4.170 -1.177 0.000 0.295 365 I C -2.038 174.476 176.117 0.661 0.000 1.161 365 I CA -0.532 61.069 61.300 0.501 0.000 1.032 365 I CB 1.871 40.073 38.000 0.337 0.000 1.244 365 I HN 1.004 nan 8.210 nan 0.000 0.421 366 W N 5.631 127.113 121.300 0.302 0.000 3.146 366 W HA 0.488 4.438 4.660 -1.185 0.000 0.319 366 W C -2.167 174.538 176.519 0.310 0.000 1.258 366 W CA -0.992 56.580 57.345 0.378 0.000 1.189 366 W CB 0.213 29.879 29.460 0.343 0.000 1.412 366 W HN 0.506 nan 8.180 nan 0.000 0.567 367 D N -0.056 120.684 120.400 0.566 0.000 2.467 367 D HA 0.478 4.412 4.640 -1.177 0.000 0.245 367 D C -1.383 175.156 176.300 0.398 0.000 1.038 367 D CA -0.455 53.696 54.000 0.252 0.000 1.038 367 D CB 1.644 42.632 40.800 0.314 0.000 1.278 367 D HN 0.153 nan 8.370 nan 0.000 0.564 368 D N -1.919 118.596 120.400 0.190 0.000 2.471 368 D HA 0.238 4.172 4.640 -1.177 0.000 0.245 368 D C -0.353 176.090 176.300 0.239 0.000 1.116 368 D CA -0.454 53.755 54.000 0.349 0.000 0.853 368 D CB 0.741 41.689 40.800 0.246 0.000 1.123 368 D HN 0.419 nan 8.370 nan 0.000 0.540 369 H N 2.251 121.546 119.070 0.375 0.000 2.529 369 H HA 0.066 3.916 4.556 -1.177 0.000 0.277 369 H C 0.522 175.967 175.328 0.195 0.000 0.999 369 H CA 1.122 57.329 56.048 0.264 0.000 1.256 369 H CB 0.413 30.333 29.762 0.264 0.000 1.402 369 H HN 0.444 nan 8.280 nan 0.000 0.566 370 Y N -1.277 119.165 120.300 0.237 0.000 2.441 370 Y HA 0.350 4.194 4.550 -1.176 0.000 0.288 370 Y C 1.753 177.747 175.900 0.156 0.000 1.118 370 Y CA 0.718 58.914 58.100 0.159 0.000 1.215 370 Y CB 0.608 39.120 38.460 0.087 0.000 1.118 370 Y HN 0.122 nan 8.280 nan 0.000 0.547 371 A N -0.748 122.265 122.820 0.322 0.000 2.592 371 A HA 0.267 3.881 4.320 -1.177 0.000 0.290 371 A C 0.255 177.935 177.584 0.160 0.000 0.998 371 A CA -0.100 52.092 52.037 0.259 0.000 0.983 371 A CB -1.003 18.108 19.000 0.186 0.000 1.240 371 A HN 0.487 nan 8.150 nan 0.000 0.535 372 N N -1.066 117.698 118.700 0.106 0.000 2.678 372 N HA -0.303 3.731 4.740 -1.177 0.000 0.249 372 N C 0.515 175.941 175.510 -0.141 0.000 1.119 372 N CA 0.631 53.677 53.050 -0.006 0.000 0.718 372 N CB -0.957 37.525 38.487 -0.009 0.000 1.060 372 N HN 0.633 nan 8.380 nan 0.000 0.552 373 M N -1.926 117.550 119.600 -0.206 0.000 2.856 373 M HA -0.242 3.532 4.480 -1.177 0.000 0.189 373 M C 0.674 176.503 176.300 -0.785 0.000 0.612 373 M CA 0.784 55.667 55.300 -0.695 0.000 0.673 373 M CB -1.117 31.089 32.600 -0.656 0.000 2.440 373 M HN 0.402 nan 8.290 nan 0.000 0.437 374 L N -0.731 120.251 121.223 -0.402 0.000 2.131 374 L HA -0.159 3.475 4.340 -1.177 0.000 0.210 374 L C 2.285 178.988 176.870 -0.278 0.000 1.092 374 L CA 1.890 56.597 54.840 -0.222 0.000 0.759 374 L CB -0.899 41.239 42.059 0.131 0.000 0.903 374 L HN 0.805 nan 8.230 nan 0.000 0.435 375 W N -0.187 120.860 121.300 -0.422 0.000 2.421 375 W HA -0.182 3.765 4.660 -1.188 0.000 0.270 375 W C 1.826 178.219 176.519 -0.211 0.000 1.233 375 W CA 0.325 57.449 57.345 -0.368 0.000 1.226 375 W CB -0.639 28.499 29.460 -0.537 0.000 1.121 375 W HN 0.186 nan 8.180 nan 0.000 0.579 376 L N 2.400 123.006 121.223 -1.029 0.000 2.202 376 L HA 0.011 3.645 4.340 -1.177 0.000 0.205 376 L C 1.225 177.799 176.870 -0.494 0.000 1.083 376 L CA 2.542 56.867 54.840 -0.857 0.000 0.790 376 L CB -0.557 40.737 42.059 -1.275 0.000 0.942 376 L HN 0.039 nan 8.230 nan 0.000 0.452 377 D N -3.390 116.724 120.400 -0.477 0.000 2.530 377 D HA 0.197 4.131 4.640 -1.177 0.000 0.253 377 D C 0.540 176.645 176.300 -0.325 0.000 1.338 377 D CA 0.297 54.076 54.000 -0.369 0.000 0.806 377 D CB 0.008 40.610 40.800 -0.330 0.000 1.160 377 D HN 0.109 nan 8.370 nan 0.000 0.514 378 S N -0.850 114.689 115.700 -0.268 0.000 3.516 378 S HA 0.623 4.387 4.470 -1.177 0.000 0.288 378 S C -1.167 173.369 174.600 -0.108 0.000 1.051 378 S CA -0.803 57.291 58.200 -0.176 0.000 1.109 378 S CB 0.451 63.582 63.200 -0.116 0.000 1.338 378 S HN 0.092 nan 8.310 nan 0.000 0.743 379 I N 2.013 122.565 120.570 -0.030 0.000 2.304 379 I HA 0.382 3.846 4.170 -1.177 0.000 0.291 379 I C -1.369 174.799 176.117 0.084 0.000 1.018 379 I CA -0.193 61.111 61.300 0.007 0.000 1.260 379 I CB 0.848 38.846 38.000 -0.004 0.000 1.390 379 I HN 0.506 nan 8.210 nan 0.000 0.475 380 Y N 9.174 129.449 120.300 -0.043 0.000 2.457 380 Y HA 0.513 4.351 4.550 -1.187 0.000 0.343 380 Y C -2.582 173.314 175.900 -0.006 0.000 0.994 380 Y CA -2.098 56.004 58.100 0.003 0.000 1.031 380 Y CB 2.440 40.940 38.460 0.066 0.000 1.246 380 Y HN 0.328 nan 8.280 nan 0.000 0.449 381 P HA 0.372 nan 4.420 nan 0.000 0.282 381 P C -2.702 174.287 177.300 -0.519 0.000 1.259 381 P CA -1.517 60.922 63.100 -1.101 0.000 0.826 381 P CB 1.394 32.652 31.700 -0.738 0.000 1.064 382 P HA -0.013 nan 4.420 nan 0.000 0.330 382 P C 0.504 177.715 177.300 -0.149 0.000 1.436 382 P CA 0.422 63.403 63.100 -0.199 0.000 0.845 382 P CB 0.052 31.679 31.700 -0.122 0.000 2.027 383 E N -3.374 116.771 120.200 -0.092 0.000 4.625 383 E HA -0.198 3.446 4.350 -1.177 0.000 0.165 383 E C 0.617 177.187 176.600 -0.049 0.000 1.173 383 E CA 1.557 57.919 56.400 -0.063 0.000 2.452 383 E CB -1.622 28.036 29.700 -0.069 0.000 1.745 383 E HN 0.361 nan 8.360 nan 0.000 0.486 384 K N 0.651 121.016 120.400 -0.058 0.000 1.761 384 K HA 0.589 4.203 4.320 -1.177 0.000 0.275 384 K C -0.203 176.370 176.600 -0.044 0.000 0.950 384 K CA 0.136 56.398 56.287 -0.042 0.000 0.951 384 K CB 0.856 33.334 32.500 -0.037 0.000 2.864 384 K HN 0.258 nan 8.250 nan 0.000 1.032 385 E N -1.578 118.601 120.200 -0.036 0.000 4.236 385 E HA 0.241 3.885 4.350 -1.177 0.000 0.367 385 E C -0.450 176.143 176.600 -0.011 0.000 1.096 385 E CA 0.504 56.887 56.400 -0.028 0.000 0.849 385 E CB -0.146 29.543 29.700 -0.018 0.000 1.173 385 E HN 0.621 nan 8.360 nan 0.000 0.561 386 G N 3.191 111.986 108.800 -0.009 0.000 3.272 386 G HA2 -0.121 3.133 3.960 -1.177 0.000 0.219 386 G HA3 -0.121 3.133 3.960 -1.177 0.000 0.219 386 G C -0.218 174.692 174.900 0.017 0.000 0.952 386 G CA -0.085 45.023 45.100 0.013 0.000 0.833 386 G HN 0.387 nan 8.290 nan 0.000 0.608 387 Q N 1.492 121.281 119.800 -0.020 0.000 2.221 387 Q HA 0.536 4.170 4.340 -1.177 0.000 0.242 387 Q C -2.227 173.694 176.000 -0.132 0.000 0.940 387 Q CA -1.704 54.070 55.803 -0.048 0.000 0.896 387 Q CB 1.362 30.064 28.738 -0.061 0.000 1.226 387 Q HN 0.175 nan 8.270 nan 0.000 0.463 388 P HA 0.007 nan 4.420 nan 0.000 0.263 388 P C 0.226 177.038 177.300 -0.813 0.000 1.195 388 P CA 0.887 63.616 63.100 -0.619 0.000 0.762 388 P CB 0.686 31.947 31.700 -0.732 0.000 0.799 389 G N 2.907 111.052 108.800 -1.091 0.000 2.259 389 G HA2 -0.281 2.973 3.960 -1.177 0.000 0.217 389 G HA3 -0.281 2.973 3.960 -1.177 0.000 0.217 389 G C 1.074 175.620 174.900 -0.589 0.000 1.001 389 G CA 0.473 44.700 45.100 -1.454 0.000 0.627 389 G HN 0.673 nan 8.290 nan 0.000 0.501 390 A N 0.749 123.375 122.820 -0.324 0.000 1.873 390 A HA 0.585 4.199 4.320 -1.177 0.000 0.215 390 A C 1.892 179.432 177.584 -0.075 0.000 1.186 390 A CA 2.287 54.237 52.037 -0.143 0.000 0.616 390 A CB -0.645 18.297 19.000 -0.096 0.000 0.823 390 A HN 2.084 nan 8.150 nan 0.000 0.442 391 A N -0.467 122.331 122.820 -0.037 0.000 2.395 391 A HA 0.537 4.151 4.320 -1.177 0.000 0.286 391 A C 0.836 178.403 177.584 -0.028 0.000 1.193 391 A CA -0.321 51.730 52.037 0.025 0.000 0.852 391 A CB -0.027 19.084 19.000 0.186 0.000 1.118 391 A HN 0.482 nan 8.150 nan 0.000 0.524 392 R N 1.775 122.137 120.500 -0.231 0.000 2.344 392 R HA 0.363 3.997 4.340 -1.177 0.000 0.209 392 R C 0.868 176.683 176.300 -0.808 0.000 0.886 392 R CA 0.753 56.649 56.100 -0.339 0.000 1.040 392 R CB 1.009 31.186 30.300 -0.204 0.000 1.114 392 R HN 0.840 nan 8.270 nan 0.000 0.547 393 G N -0.952 107.134 108.800 -1.189 0.000 2.495 393 G HA2 0.090 3.344 3.960 -1.177 0.000 0.294 393 G HA3 0.090 3.344 3.960 -1.177 0.000 0.294 393 G C -1.350 173.166 174.900 -0.640 0.000 1.397 393 G CA -0.569 43.816 45.100 -1.193 0.000 0.790 393 G HN -0.085 nan 8.290 nan 0.000 0.486 394 D N -0.201 120.128 120.400 -0.118 0.000 2.388 394 D HA 0.181 4.115 4.640 -1.177 0.000 0.221 394 D C 0.408 176.699 176.300 -0.015 0.000 1.133 394 D CA 0.128 54.186 54.000 0.097 0.000 0.831 394 D CB 0.197 41.150 40.800 0.255 0.000 0.962 394 D HN 0.273 nan 8.370 nan 0.000 0.502 395 c N 2.160 120.680 118.600 -0.133 0.000 2.593 395 c HA 0.233 4.097 4.570 -1.177 0.000 0.409 395 c C -1.841 172.169 174.090 -0.135 0.000 1.304 395 c CA -1.264 54.938 56.329 -0.211 0.000 2.007 395 c CB 0.565 42.889 42.510 -0.311 0.000 2.614 395 c HN 0.185 nan 8.230 nan 0.000 0.585 396 P HA 0.065 nan 4.420 nan 0.000 0.268 396 P C 0.929 178.191 177.300 -0.064 0.000 1.208 396 P CA 0.367 63.428 63.100 -0.066 0.000 0.777 396 P CB 0.350 32.016 31.700 -0.057 0.000 0.875 397 T N -3.299 111.233 114.554 -0.037 0.000 3.098 397 T HA -0.108 3.536 4.350 -1.177 0.000 0.266 397 T C 0.864 175.553 174.700 -0.019 0.000 1.145 397 T CA 1.082 63.169 62.100 -0.023 0.000 1.092 397 T CB -0.540 68.322 68.868 -0.011 0.000 0.908 397 T HN 0.311 nan 8.240 nan 0.000 0.526 398 D N 1.722 122.105 120.400 -0.028 0.000 2.501 398 D HA 0.171 4.105 4.640 -1.177 0.000 0.226 398 D C 0.317 176.594 176.300 -0.037 0.000 1.198 398 D CA -0.071 53.914 54.000 -0.024 0.000 0.830 398 D CB 0.647 41.435 40.800 -0.019 0.000 1.014 398 D HN 0.593 nan 8.370 nan 0.000 0.496 399 S N -1.969 113.695 115.700 -0.060 0.000 2.669 399 S HA 0.539 4.303 4.470 -1.177 0.000 0.270 399 S C 1.270 175.824 174.600 -0.076 0.000 1.225 399 S CA 0.322 58.476 58.200 -0.076 0.000 0.991 399 S CB 1.948 65.072 63.200 -0.126 0.000 0.987 399 S HN 0.199 nan 8.310 nan 0.000 0.552 400 G N -0.788 107.969 108.800 -0.072 0.000 2.175 400 G HA2 -0.227 3.027 3.960 -1.177 0.000 0.244 400 G HA3 -0.227 3.027 3.960 -1.177 0.000 0.244 400 G C 0.015 174.886 174.900 -0.049 0.000 0.982 400 G CA -0.152 44.900 45.100 -0.080 0.000 0.641 400 G HN 1.190 nan 8.290 nan 0.000 0.527 401 V N 2.137 122.031 119.914 -0.034 0.000 2.434 401 V HA 0.111 3.525 4.120 -1.177 0.000 0.281 401 V C 0.108 176.182 176.094 -0.034 0.000 1.005 401 V CA 0.138 62.417 62.300 -0.035 0.000 1.089 401 V CB 1.024 32.834 31.823 -0.021 0.000 0.978 401 V HN 0.127 nan 8.190 nan 0.000 0.474 402 P HA -0.271 nan 4.420 nan 0.000 0.217 402 P C 1.614 178.923 177.300 0.015 0.000 1.158 402 P CA 2.188 65.247 63.100 -0.068 0.000 0.887 402 P CB 0.179 31.632 31.700 -0.413 0.000 0.792 403 A N -0.384 122.438 122.820 0.002 0.000 1.908 403 A HA -0.260 3.354 4.320 -1.177 0.000 0.218 403 A C 2.131 179.724 177.584 0.016 0.000 1.181 403 A CA 1.928 53.980 52.037 0.025 0.000 0.627 403 A CB -1.164 17.852 19.000 0.026 0.000 0.818 403 A HN 0.240 nan 8.150 nan 0.000 0.445 404 E N -0.254 119.949 120.200 0.005 0.000 2.046 404 E HA -0.100 3.544 4.350 -1.177 0.000 0.190 404 E C 2.067 178.664 176.600 -0.006 0.000 0.982 404 E CA 1.399 57.790 56.400 -0.015 0.000 0.800 404 E CB -0.381 29.303 29.700 -0.026 0.000 0.756 404 E HN 0.618 nan 8.360 nan 0.000 0.449 405 V N -0.408 119.539 119.914 0.055 0.000 2.626 405 V HA -0.160 3.254 4.120 -1.177 0.000 0.252 405 V C 1.645 177.904 176.094 0.274 0.000 1.067 405 V CA 1.580 63.967 62.300 0.145 0.000 1.081 405 V CB -0.467 31.465 31.823 0.183 0.000 0.686 405 V HN 0.088 nan 8.190 nan 0.000 0.468 406 E N 1.072 121.403 120.200 0.218 0.000 2.274 406 E HA 0.098 3.742 4.350 -1.177 0.000 0.194 406 E C 2.264 178.894 176.600 0.050 0.000 0.996 406 E CA 1.098 57.576 56.400 0.130 0.000 0.840 406 E CB -0.206 29.474 29.700 -0.033 0.000 0.772 406 E HN 0.736 nan 8.360 nan 0.000 0.491 407 A N 0.598 123.424 122.820 0.010 0.000 1.984 407 A HA -0.103 3.511 4.320 -1.177 0.000 0.214 407 A C 2.020 179.555 177.584 -0.081 0.000 1.173 407 A CA 0.685 52.703 52.037 -0.032 0.000 0.673 407 A CB -0.057 18.916 19.000 -0.044 0.000 0.830 407 A HN 0.122 nan 8.150 nan 0.000 0.453 408 Q N -1.565 118.132 119.800 -0.171 0.000 2.137 408 Q HA 0.075 3.709 4.340 -1.177 0.000 0.198 408 Q C -0.220 175.476 176.000 -0.506 0.000 0.960 408 Q CA 0.863 56.392 55.803 -0.457 0.000 0.847 408 Q CB 0.079 28.353 28.738 -0.773 0.000 0.915 408 Q HN 0.665 nan 8.270 nan 0.000 0.448 409 F N 0.165 120.188 119.950 0.123 0.000 2.831 409 F HA 0.298 4.119 4.527 -1.177 0.000 0.355 409 F C -1.775 174.176 175.800 0.252 0.000 1.341 409 F CA -1.844 56.248 58.000 0.152 0.000 1.201 409 F CB 1.165 40.234 39.000 0.115 0.000 1.058 409 F HN 0.106 nan 8.300 nan 0.000 0.514 410 P HA -0.187 nan 4.420 nan 0.000 0.217 410 P C 0.548 177.994 177.300 0.243 0.000 1.148 410 P CA 1.551 64.773 63.100 0.203 0.000 0.828 410 P CB 0.263 32.014 31.700 0.085 0.000 0.783 411 D N -0.748 119.791 120.400 0.232 0.000 2.328 411 D HA 0.182 4.116 4.640 -1.177 0.000 0.221 411 D C 0.799 177.204 176.300 0.174 0.000 1.072 411 D CA 0.011 54.116 54.000 0.175 0.000 0.850 411 D CB -0.265 40.611 40.800 0.127 0.000 0.922 411 D HN 0.111 nan 8.370 nan 0.000 0.516 412 A N 1.262 124.229 122.820 0.245 0.000 2.498 412 A HA 0.334 3.948 4.320 -1.177 0.000 0.239 412 A C 0.478 178.127 177.584 0.109 0.000 1.068 412 A CA 0.036 52.143 52.037 0.117 0.000 0.766 412 A CB 0.196 19.218 19.000 0.038 0.000 1.003 412 A HN 0.222 nan 8.150 nan 0.000 0.497 413 Q N 0.232 120.036 119.800 0.006 0.000 2.462 413 Q HA 0.727 4.361 4.340 -1.177 0.000 0.285 413 Q C -1.564 174.359 176.000 -0.128 0.000 1.035 413 Q CA -0.943 54.851 55.803 -0.016 0.000 0.799 413 Q CB 1.963 30.695 28.738 -0.010 0.000 1.452 413 Q HN 0.856 nan 8.270 nan 0.000 0.404 414 V N 1.388 121.177 119.914 -0.208 0.000 2.604 414 V HA 0.682 4.096 4.120 -1.177 0.000 0.305 414 V C -1.380 174.411 176.094 -0.505 0.000 1.043 414 V CA -0.574 61.462 62.300 -0.439 0.000 0.888 414 V CB 1.964 33.373 31.823 -0.690 0.000 0.995 414 V HN 0.718 nan 8.190 nan 0.000 0.429 415 V N 6.707 126.337 119.914 -0.474 0.000 2.350 415 V HA 0.435 3.849 4.120 -1.177 0.000 0.285 415 V C -0.765 175.155 176.094 -0.291 0.000 1.014 415 V CA -0.524 61.587 62.300 -0.314 0.000 0.831 415 V CB 1.345 33.071 31.823 -0.162 0.000 1.000 415 V HN 0.943 nan 8.190 nan 0.000 0.433 416 W N 4.014 125.278 121.300 -0.060 0.000 2.331 416 W HA 0.621 4.573 4.660 -1.179 0.000 0.306 416 W C 0.608 177.111 176.519 -0.028 0.000 1.162 416 W CA -0.229 57.081 57.345 -0.060 0.000 1.232 416 W CB 1.636 31.022 29.460 -0.122 0.000 1.235 416 W HN 0.672 nan 8.180 nan 0.000 0.479 417 S N 1.563 117.421 115.700 0.263 0.000 2.638 417 S HA 0.437 4.201 4.470 -1.177 0.000 0.274 417 S C -0.278 174.440 174.600 0.198 0.000 1.157 417 S CA -1.050 57.254 58.200 0.175 0.000 0.826 417 S CB 1.534 64.796 63.200 0.102 0.000 1.139 417 S HN 0.583 nan 8.310 nan 0.000 0.474 418 N N -0.103 118.702 118.700 0.176 0.000 2.727 418 N HA -0.152 3.882 4.740 -1.177 0.000 0.251 418 N C -0.974 174.683 175.510 0.246 0.000 1.040 418 N CA 0.525 53.688 53.050 0.189 0.000 0.712 418 N CB -1.698 36.888 38.487 0.164 0.000 0.912 418 N HN 0.719 nan 8.380 nan 0.000 0.545 419 I N 1.047 121.782 120.570 0.274 0.000 2.533 419 I HA 0.072 3.536 4.170 -1.177 0.000 0.284 419 I C 0.976 177.332 176.117 0.399 0.000 1.109 419 I CA 0.399 61.894 61.300 0.325 0.000 1.412 419 I CB 0.436 38.591 38.000 0.259 0.000 1.396 419 I HN 0.144 nan 8.210 nan 0.000 0.543 420 R N 5.970 126.699 120.500 0.382 0.000 2.686 420 R HA 0.651 4.285 4.340 -1.177 0.000 0.286 420 R C -1.379 175.217 176.300 0.493 0.000 0.969 420 R CA -0.781 55.549 56.100 0.384 0.000 0.898 420 R CB 2.475 32.877 30.300 0.169 0.000 1.183 420 R HN 0.408 nan 8.270 nan 0.000 0.456 421 F N 0.419 120.624 119.950 0.425 0.000 2.588 421 F HA 0.770 4.590 4.527 -1.179 0.000 0.310 421 F C -0.042 175.952 175.800 0.324 0.000 1.082 421 F CA 0.035 58.299 58.000 0.440 0.000 0.929 421 F CB 2.513 41.934 39.000 0.701 0.000 1.254 421 F HN 0.681 nan 8.300 nan 0.000 0.455 422 G N 3.459 112.220 108.800 -0.065 0.000 2.317 422 G HA2 0.350 3.604 3.960 -1.177 0.000 0.293 422 G HA3 0.350 3.604 3.960 -1.177 0.000 0.293 422 G C -3.406 171.440 174.900 -0.090 0.000 1.287 422 G CA -0.906 44.231 45.100 0.062 0.000 0.850 422 G HN 0.369 nan 8.290 nan 0.000 0.515 423 P HA 0.318 nan 4.420 nan 0.000 0.271 423 P C 0.640 177.937 177.300 -0.006 0.000 1.233 423 P CA -0.372 62.733 63.100 0.009 0.000 0.789 423 P CB 0.413 32.138 31.700 0.042 0.000 0.951 424 I N 0.394 120.971 120.570 0.012 0.000 2.919 424 I HA -0.100 3.364 4.170 -1.177 0.000 0.303 424 I C 1.792 177.933 176.117 0.040 0.000 1.221 424 I CA 1.701 63.016 61.300 0.026 0.000 1.444 424 I CB -1.239 36.784 38.000 0.038 0.000 1.331 424 I HN 0.815 nan 8.210 nan 0.000 0.572 425 G N 4.398 113.238 108.800 0.067 0.000 2.179 425 G HA2 -0.328 2.926 3.960 -1.177 0.000 0.260 425 G HA3 -0.328 2.926 3.960 -1.177 0.000 0.260 425 G C 0.902 175.839 174.900 0.061 0.000 0.977 425 G CA 0.715 45.860 45.100 0.075 0.000 0.641 425 G HN 0.772 nan 8.290 nan 0.000 0.533 426 S N -0.554 115.171 115.700 0.042 0.000 2.503 426 S HA 0.117 3.881 4.470 -1.177 0.000 0.215 426 S C 2.176 176.768 174.600 -0.014 0.000 1.003 426 S CA 1.616 59.823 58.200 0.013 0.000 0.910 426 S CB -0.134 63.074 63.200 0.012 0.000 0.790 426 S HN 1.238 nan 8.310 nan 0.000 0.514 427 T N -1.947 112.610 114.554 0.005 0.000 3.035 427 T HA 0.299 3.943 4.350 -1.177 0.000 0.259 427 T C 0.038 174.500 174.700 -0.396 0.000 1.078 427 T CA 0.120 62.145 62.100 -0.125 0.000 1.132 427 T CB -0.423 68.435 68.868 -0.017 0.000 0.900 427 T HN 0.451 nan 8.240 nan 0.000 0.480 428 Y N -0.053 120.322 120.300 0.124 0.000 2.534 428 Y HA 0.464 4.308 4.550 -1.177 0.000 0.345 428 Y C -0.790 175.155 175.900 0.075 0.000 1.031 428 Y CA -1.569 56.628 58.100 0.161 0.000 1.022 428 Y CB 1.689 40.381 38.460 0.387 0.000 1.292 428 Y HN -0.120 nan 8.280 nan 0.000 0.459 429 D N 3.015 123.417 120.400 0.005 0.000 2.619 429 D HA 0.274 4.208 4.640 -1.177 0.000 0.224 429 D C -1.158 174.801 176.300 -0.569 0.000 1.133 429 D CA 0.721 54.580 54.000 -0.235 0.000 1.017 429 D CB -0.623 40.002 40.800 -0.292 0.000 1.077 429 D HN 0.334 nan 8.370 nan 0.000 0.503 430 F N 0.000 119.974 119.950 0.040 0.000 2.286 430 F HA 0.000 3.822 4.527 -1.176 0.000 0.279 430 F CA 0.000 57.925 58.000 -0.125 0.000 1.383 430 F CB 0.000 38.855 39.000 -0.242 0.000 1.145 430 F HN 0.000 nan 8.300 nan 0.000 0.574