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 2ggh_1_D DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKFR FETSFGVQTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TICGALCLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.518 176.300 0.363 0.000 0.893 6 R CA 0.000 56.243 56.100 0.239 0.000 0.921 6 R CB 0.000 30.382 30.300 0.137 0.000 0.687 7 M N 1.296 121.035 119.600 0.231 0.000 2.226 7 M HA 0.364 4.844 4.480 -0.000 0.000 0.324 7 M C -0.296 176.176 176.300 0.286 0.000 1.112 7 M CA 0.014 55.427 55.300 0.189 0.000 1.176 7 M CB 0.040 32.641 32.600 0.001 0.000 1.430 7 M HN 0.462 nan 8.290 nan 0.000 0.462 8 F N -0.218 119.817 119.950 0.142 0.000 2.546 8 F HA 0.716 5.243 4.527 -0.000 0.000 0.320 8 F C -0.760 175.118 175.800 0.129 0.000 1.076 8 F CA -1.332 56.760 58.000 0.153 0.000 0.928 8 F CB 1.070 40.201 39.000 0.217 0.000 1.189 8 F HN 0.441 nan 8.300 nan 0.000 0.465 9 K N 4.381 124.907 120.400 0.210 0.000 2.307 9 K HA 0.545 4.864 4.320 -0.000 0.000 0.263 9 K C -1.160 175.577 176.600 0.228 0.000 0.973 9 K CA -0.580 55.772 56.287 0.109 0.000 0.846 9 K CB 1.018 33.549 32.500 0.051 0.000 1.100 9 K HN 0.878 nan 8.250 nan 0.000 0.438 10 I N 5.113 125.836 120.570 0.254 0.000 2.347 10 I HA 0.033 4.202 4.170 -0.000 0.000 0.294 10 I C 0.602 176.831 176.117 0.188 0.000 1.090 10 I CA -0.014 61.448 61.300 0.269 0.000 1.314 10 I CB 0.934 39.118 38.000 0.307 0.000 1.423 10 I HN 0.803 nan 8.210 nan 0.000 0.503 11 E N 4.349 124.656 120.200 0.177 0.000 2.140 11 E HA 0.207 4.556 4.350 -0.000 0.000 0.191 11 E C 0.536 177.215 176.600 0.132 0.000 0.973 11 E CA 0.370 56.849 56.400 0.131 0.000 0.829 11 E CB 0.395 30.162 29.700 0.111 0.000 0.781 11 E HN 0.771 nan 8.360 nan 0.000 0.466 12 A N 0.202 123.134 122.820 0.186 0.000 2.594 12 A HA 0.831 5.151 4.320 -0.000 0.000 0.291 12 A C -1.620 176.136 177.584 0.288 0.000 1.105 12 A CA -0.321 51.828 52.037 0.186 0.000 0.694 12 A CB 1.794 20.836 19.000 0.070 0.000 1.291 12 A HN 0.079 nan 8.150 nan 0.000 0.410 13 A N 0.547 123.524 122.820 0.261 0.000 2.427 13 A HA 0.713 5.032 4.320 -0.000 0.000 0.298 13 A C -1.040 176.694 177.584 0.250 0.000 1.036 13 A CA -0.388 51.799 52.037 0.251 0.000 0.701 13 A CB 1.047 20.153 19.000 0.176 0.000 1.250 13 A HN 0.715 nan 8.150 nan 0.000 0.412 14 E N 1.784 122.119 120.200 0.225 0.000 2.171 14 E HA 0.515 4.865 4.350 -0.000 0.000 0.271 14 E C -1.101 175.580 176.600 0.135 0.000 0.916 14 E CA -0.434 56.072 56.400 0.177 0.000 0.774 14 E CB 2.231 32.037 29.700 0.176 0.000 1.128 14 E HN 0.593 nan 8.360 nan 0.000 0.403 15 I N 3.164 123.815 120.570 0.135 0.000 2.321 15 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 15 I C -0.716 175.432 176.117 0.052 0.000 0.998 15 I CA -0.841 60.512 61.300 0.088 0.000 1.227 15 I CB 1.243 39.303 38.000 0.100 0.000 1.368 15 I HN 0.176 nan 8.210 nan 0.000 0.466 16 V N 7.406 127.336 119.914 0.026 0.000 2.483 16 V HA 0.351 4.471 4.120 -0.000 0.000 0.297 16 V C -0.157 175.927 176.094 -0.016 0.000 1.027 16 V CA -0.686 61.616 62.300 0.003 0.000 0.855 16 V CB 2.156 33.978 31.823 -0.001 0.000 0.995 16 V HN 0.369 nan 8.190 nan 0.000 0.424 17 V N 4.394 124.292 119.914 -0.025 0.000 2.370 17 V HA 0.832 4.952 4.120 -0.000 0.000 0.283 17 V C 0.450 176.509 176.094 -0.057 0.000 1.023 17 V CA -0.252 62.027 62.300 -0.036 0.000 0.857 17 V CB 1.396 33.203 31.823 -0.026 0.000 0.985 17 V HN 0.996 nan 8.190 nan 0.000 0.443 18 A N 5.359 128.135 122.820 -0.074 0.000 2.322 18 A HA 0.932 5.252 4.320 -0.000 0.000 0.327 18 A C -0.328 177.200 177.584 -0.093 0.000 1.134 18 A CA -0.905 51.069 52.037 -0.104 0.000 0.831 18 A CB 1.501 20.415 19.000 -0.143 0.000 1.288 18 A HN 0.757 nan 8.150 nan 0.000 0.472 19 R N 0.786 121.230 120.500 -0.094 0.000 2.476 19 R HA 0.586 4.926 4.340 -0.000 0.000 0.305 19 R C -2.094 174.178 176.300 -0.046 0.000 0.965 19 R CA -0.561 55.511 56.100 -0.048 0.000 0.867 19 R CB 1.032 31.322 30.300 -0.018 0.000 1.176 19 R HN 0.539 nan 8.270 nan 0.000 0.447 20 L N 6.135 127.331 121.223 -0.045 0.000 2.341 20 L HA 0.567 4.907 4.340 -0.000 0.000 0.278 20 L C -2.268 174.687 176.870 0.142 0.000 1.005 20 L CA -2.423 52.396 54.840 -0.035 0.000 0.818 20 L CB 1.726 43.552 42.059 -0.388 0.000 1.259 20 L HN 0.563 nan 8.230 nan 0.000 0.418 21 P HA 0.215 nan 4.420 nan 0.000 0.271 21 P C -0.325 177.038 177.300 0.105 0.000 1.216 21 P CA -0.274 62.838 63.100 0.020 0.000 0.776 21 P CB 0.750 32.471 31.700 0.034 0.000 0.881 22 L N 2.836 123.987 121.223 -0.120 0.000 2.488 22 L HA 0.288 4.628 4.340 -0.000 0.000 0.249 22 L C 1.448 178.171 176.870 -0.245 0.000 1.151 22 L CA -0.347 54.393 54.840 -0.167 0.000 0.806 22 L CB 0.890 42.765 42.059 -0.308 0.000 1.261 22 L HN 0.390 nan 8.230 nan 0.000 0.484 23 K N 0.092 120.236 120.400 -0.427 0.000 2.435 23 K HA 0.179 4.499 4.320 -0.000 0.000 0.199 23 K C -0.839 175.679 176.600 -0.136 0.000 1.153 23 K CA 0.045 56.188 56.287 -0.240 0.000 0.974 23 K CB 0.702 33.093 32.500 -0.181 0.000 0.997 23 K HN 0.398 nan 8.250 nan 0.000 0.547 24 F N -0.924 118.949 119.950 -0.128 0.000 2.620 24 F HA 0.558 5.085 4.527 -0.000 0.000 0.320 24 F C -0.548 175.248 175.800 -0.007 0.000 1.069 24 F CA -1.560 56.396 58.000 -0.074 0.000 0.953 24 F CB 0.740 39.679 39.000 -0.102 0.000 1.322 24 F HN -0.424 nan 8.300 nan 0.000 0.479 25 R N 1.012 121.698 120.500 0.310 0.000 2.459 25 R HA 0.610 4.950 4.340 -0.000 0.000 0.281 25 R C -2.027 174.536 176.300 0.438 0.000 1.050 25 R CA -0.580 55.675 56.100 0.258 0.000 1.055 25 R CB 0.872 31.263 30.300 0.152 0.000 1.045 25 R HN 0.852 nan 8.270 nan 0.000 0.495 26 F N 2.832 122.858 119.950 0.127 0.000 3.704 26 F HA 0.090 4.617 4.527 -0.000 0.000 0.427 26 F C -1.217 174.595 175.800 0.020 0.000 1.015 26 F CA -0.215 57.852 58.000 0.112 0.000 1.517 26 F CB 0.389 39.541 39.000 0.254 0.000 2.598 26 F HN 0.789 nan 8.300 nan 0.000 0.788 27 E N 2.208 122.345 120.200 -0.106 0.000 2.266 27 E HA -0.191 4.159 4.350 -0.000 0.000 0.209 27 E C -0.257 176.031 176.600 -0.519 0.000 1.286 27 E CA 1.195 57.456 56.400 -0.232 0.000 0.677 27 E CB -1.236 28.404 29.700 -0.100 0.000 1.173 27 E HN 0.636 nan 8.360 nan 0.000 0.384 28 T N -1.040 113.169 114.554 -0.575 0.000 2.954 28 T HA 0.241 4.591 4.350 -0.000 0.000 0.252 28 T C 1.008 175.431 174.700 -0.463 0.000 0.983 28 T CA 1.676 63.350 62.100 -0.711 0.000 0.941 28 T CB 0.063 68.303 68.868 -1.046 0.000 1.141 28 T HN 1.013 nan 8.240 nan 0.000 0.500 29 S N 0.087 115.576 115.700 -0.353 0.000 1.538 29 S HA -0.145 4.325 4.470 -0.000 0.000 0.249 29 S C 0.804 175.377 174.600 -0.045 0.000 0.938 29 S CA 0.768 58.876 58.200 -0.153 0.000 1.162 29 S CB -2.497 60.653 63.200 -0.083 0.000 1.368 29 S HN 0.667 nan 8.310 nan 0.000 0.522 30 F N 1.672 121.632 119.950 0.016 0.000 2.664 30 F HA 0.751 5.278 4.527 -0.000 0.000 0.303 30 F C 1.040 176.858 175.800 0.029 0.000 1.092 30 F CA 0.096 58.111 58.000 0.025 0.000 1.305 30 F CB 0.702 39.725 39.000 0.038 0.000 1.054 30 F HN 0.845 nan 8.300 nan 0.000 0.565 31 G N 0.102 108.896 108.800 -0.009 0.000 2.368 31 G HA2 0.287 4.246 3.960 -0.000 0.000 0.302 31 G HA3 0.287 4.246 3.960 -0.000 0.000 0.302 31 G C -2.187 172.677 174.900 -0.059 0.000 1.329 31 G CA -0.378 44.749 45.100 0.045 0.000 0.935 31 G HN 0.365 nan 8.290 nan 0.000 0.590 32 V N 0.433 120.363 119.914 0.028 0.000 2.444 32 V HA 0.736 4.856 4.120 -0.000 0.000 0.294 32 V C -0.417 175.749 176.094 0.119 0.000 1.022 32 V CA -0.453 61.873 62.300 0.042 0.000 0.850 32 V CB 1.315 33.161 31.823 0.039 0.000 0.992 32 V HN 0.790 nan 8.190 nan 0.000 0.426 33 Q N 3.723 123.629 119.800 0.178 0.000 2.307 33 Q HA 0.457 4.797 4.340 -0.000 0.000 0.262 33 Q C 0.473 176.573 176.000 0.168 0.000 0.961 33 Q CA -0.131 55.795 55.803 0.206 0.000 0.882 33 Q CB 2.042 30.939 28.738 0.266 0.000 1.264 33 Q HN 0.899 nan 8.270 nan 0.000 0.446 34 T N -2.898 111.748 114.554 0.153 0.000 2.999 34 T HA 0.142 4.492 4.350 -0.000 0.000 0.247 34 T C 0.553 175.242 174.700 -0.018 0.000 1.012 34 T CA 0.178 62.324 62.100 0.077 0.000 1.048 34 T CB 0.188 69.141 68.868 0.142 0.000 1.020 34 T HN 0.488 nan 8.240 nan 0.000 0.478 35 H N 0.625 119.741 119.070 0.078 0.000 2.754 35 H HA 0.785 5.341 4.556 -0.000 0.000 0.352 35 H C -1.103 174.300 175.328 0.126 0.000 1.213 35 H CA -0.886 55.222 56.048 0.100 0.000 1.244 35 H CB 2.189 31.995 29.762 0.073 0.000 1.843 35 H HN 0.034 nan 8.280 nan 0.000 0.587 36 K N 0.945 121.504 120.400 0.266 0.000 2.565 36 K HA 0.284 4.604 4.320 -0.000 0.000 0.249 36 K C -1.821 174.823 176.600 0.073 0.000 0.958 36 K CA -0.447 55.950 56.287 0.183 0.000 0.806 36 K CB 1.396 34.070 32.500 0.290 0.000 1.194 36 K HN 0.255 nan 8.250 nan 0.000 0.434 37 V N 4.496 124.441 119.914 0.051 0.000 2.465 37 V HA 0.397 4.517 4.120 -0.000 0.000 0.279 37 V C -0.488 175.590 176.094 -0.025 0.000 1.045 37 V CA -0.793 61.508 62.300 0.002 0.000 0.938 37 V CB 1.481 33.308 31.823 0.007 0.000 0.986 37 V HN 0.545 nan 8.190 nan 0.000 0.467 38 V N 7.412 127.288 119.914 -0.063 0.000 2.304 38 V HA 0.339 4.459 4.120 -0.000 0.000 0.278 38 V C -2.480 173.581 176.094 -0.055 0.000 1.018 38 V CA -1.809 60.446 62.300 -0.075 0.000 0.814 38 V CB 1.450 33.192 31.823 -0.135 0.000 1.021 38 V HN 0.765 nan 8.190 nan 0.000 0.440 39 P HA 0.418 nan 4.420 nan 0.000 0.287 39 P C -0.723 176.563 177.300 -0.024 0.000 1.294 39 P CA -0.122 62.962 63.100 -0.026 0.000 0.776 39 P CB 0.855 32.544 31.700 -0.018 0.000 0.889 40 L N 3.841 125.053 121.223 -0.018 0.000 2.325 40 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 40 L C -0.117 176.757 176.870 0.007 0.000 1.023 40 L CA -1.109 53.725 54.840 -0.009 0.000 0.811 40 L CB 1.673 43.725 42.059 -0.011 0.000 1.249 40 L HN 0.222 nan 8.230 nan 0.000 0.431 41 L N 4.469 125.698 121.223 0.009 0.000 2.333 41 L HA 0.590 4.930 4.340 -0.000 0.000 0.280 41 L C -0.829 176.050 176.870 0.014 0.000 1.004 41 L CA 0.028 54.882 54.840 0.023 0.000 0.820 41 L CB 1.432 43.504 42.059 0.022 0.000 1.247 41 L HN 0.366 nan 8.230 nan 0.000 0.416 42 I N 6.201 126.780 120.570 0.015 0.000 2.362 42 I HA 0.387 4.556 4.170 -0.000 0.000 0.289 42 I C -0.751 175.311 176.117 -0.091 0.000 0.994 42 I CA -0.441 60.824 61.300 -0.059 0.000 1.158 42 I CB 1.420 39.386 38.000 -0.058 0.000 1.315 42 I HN 0.430 nan 8.210 nan 0.000 0.451 43 L N 5.934 127.075 121.223 -0.137 0.000 2.317 43 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 43 L C -0.363 176.380 176.870 -0.212 0.000 1.024 43 L CA -0.709 54.091 54.840 -0.066 0.000 0.810 43 L CB 1.090 43.164 42.059 0.025 0.000 1.240 43 L HN 0.520 nan 8.230 nan 0.000 0.427 44 H N 1.835 120.959 119.070 0.089 0.000 2.469 44 H HA 0.724 5.279 4.556 -0.000 0.000 0.342 44 H C -0.164 175.229 175.328 0.109 0.000 1.115 44 H CA -0.597 55.499 56.048 0.082 0.000 1.204 44 H CB 2.358 32.160 29.762 0.067 0.000 1.492 44 H HN 0.777 nan 8.280 nan 0.000 0.499 45 G N 1.310 110.232 108.800 0.203 0.000 2.498 45 G HA2 0.166 4.126 3.960 -0.000 0.000 0.301 45 G HA3 0.166 4.126 3.960 -0.000 0.000 0.301 45 G C -0.747 174.247 174.900 0.156 0.000 1.577 45 G CA -0.847 44.371 45.100 0.198 0.000 0.868 45 G HN 0.479 nan 8.290 nan 0.000 0.599 46 E N -0.400 119.887 120.200 0.145 0.000 2.586 46 E HA -0.269 4.081 4.350 -0.000 0.000 0.259 46 E C 1.483 178.132 176.600 0.081 0.000 1.107 46 E CA 2.007 58.477 56.400 0.116 0.000 0.754 46 E CB -1.567 28.220 29.700 0.145 0.000 1.335 46 E HN 2.616 nan 8.360 nan 0.000 0.411 47 G N -1.851 106.999 108.800 0.083 0.000 2.184 47 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.264 47 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.264 47 G C 0.499 175.434 174.900 0.059 0.000 0.975 47 G CA 1.135 46.274 45.100 0.065 0.000 0.642 47 G HN 1.012 nan 8.290 nan 0.000 0.536 48 V N -3.021 116.928 119.914 0.058 0.000 3.164 48 V HA 0.977 5.097 4.120 -0.000 0.000 0.313 48 V C -0.318 175.787 176.094 0.019 0.000 1.188 48 V CA -0.333 61.983 62.300 0.027 0.000 1.058 48 V CB 1.736 33.551 31.823 -0.013 0.000 1.110 48 V HN 0.974 nan 8.190 nan 0.000 0.453 49 Q N 0.256 120.034 119.800 -0.037 0.000 2.421 49 Q HA 0.796 5.136 4.340 -0.000 0.000 0.280 49 Q C -0.521 175.420 176.000 -0.098 0.000 1.085 49 Q CA -0.674 55.054 55.803 -0.125 0.000 0.807 49 Q CB 2.317 30.909 28.738 -0.244 0.000 1.405 49 Q HN 1.211 nan 8.270 nan 0.000 0.419 50 G N 0.721 109.460 108.800 -0.101 0.000 2.415 50 G HA2 0.572 4.532 3.960 -0.000 0.000 0.327 50 G HA3 0.572 4.532 3.960 -0.000 0.000 0.327 50 G C -0.990 173.897 174.900 -0.023 0.000 1.182 50 G CA -0.668 44.411 45.100 -0.034 0.000 0.924 50 G HN 0.402 nan 8.290 nan 0.000 0.470 51 V N 0.805 120.745 119.914 0.043 0.000 2.540 51 V HA 0.840 4.960 4.120 -0.000 0.000 0.302 51 V C 0.301 176.490 176.094 0.157 0.000 1.035 51 V CA -0.703 61.634 62.300 0.061 0.000 0.873 51 V CB 1.067 32.917 31.823 0.044 0.000 0.992 51 V HN 1.160 nan 8.190 nan 0.000 0.428 52 A N 3.284 126.142 122.820 0.062 0.000 2.479 52 A HA 0.903 5.223 4.320 -0.000 0.000 0.296 52 A C -0.802 176.759 177.584 -0.039 0.000 1.121 52 A CA -0.678 51.339 52.037 -0.033 0.000 0.743 52 A CB 1.913 20.833 19.000 -0.133 0.000 1.323 52 A HN 0.873 nan 8.150 nan 0.000 0.415 53 E N 0.802 120.953 120.200 -0.082 0.000 2.199 53 E HA 0.526 4.876 4.350 -0.000 0.000 0.265 53 E C 0.120 176.682 176.600 -0.063 0.000 0.882 53 E CA -0.682 55.687 56.400 -0.051 0.000 0.759 53 E CB 1.527 31.209 29.700 -0.030 0.000 1.148 53 E HN 0.934 nan 8.360 nan 0.000 0.412 54 G N 1.702 110.477 108.800 -0.041 0.000 2.442 54 G HA2 0.145 4.104 3.960 -0.000 0.000 0.249 54 G HA3 0.145 4.104 3.960 -0.000 0.000 0.249 54 G C 0.688 175.571 174.900 -0.029 0.000 1.263 54 G CA 0.152 45.233 45.100 -0.032 0.000 0.846 54 G HN 0.622 nan 8.290 nan 0.000 0.555 55 T N 0.347 114.885 114.554 -0.027 0.000 3.054 55 T HA 0.193 4.543 4.350 -0.000 0.000 0.255 55 T C 1.153 175.846 174.700 -0.012 0.000 1.035 55 T CA -0.374 61.709 62.100 -0.027 0.000 0.941 55 T CB -0.093 68.746 68.868 -0.049 0.000 1.026 55 T HN 0.531 nan 8.240 nan 0.000 0.533 56 M N 1.282 120.881 119.600 -0.002 0.000 2.240 56 M HA 0.534 5.013 4.480 -0.000 0.000 0.333 56 M C -0.620 175.684 176.300 0.006 0.000 1.110 56 M CA 0.008 55.311 55.300 0.006 0.000 1.173 56 M CB 0.243 32.842 32.600 -0.001 0.000 1.458 56 M HN 0.032 nan 8.290 nan 0.000 0.458 57 E N 1.254 121.459 120.200 0.008 0.000 2.254 57 E HA 0.600 4.950 4.350 -0.000 0.000 0.261 57 E C 0.987 177.591 176.600 0.007 0.000 1.051 57 E CA -0.366 56.045 56.400 0.020 0.000 0.902 57 E CB 1.118 30.837 29.700 0.031 0.000 1.168 57 E HN 0.772 nan 8.360 nan 0.000 0.423 58 A N 1.504 124.334 122.820 0.017 0.000 1.908 58 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 58 A C 0.751 178.333 177.584 -0.003 0.000 1.181 58 A CA 1.418 53.459 52.037 0.007 0.000 0.627 58 A CB -0.140 18.869 19.000 0.015 0.000 0.818 58 A HN 0.430 nan 8.150 nan 0.000 0.445 59 R N -0.865 119.635 120.500 0.000 0.000 2.740 59 R HA 0.396 4.736 4.340 -0.000 0.000 0.282 59 R C -2.952 173.320 176.300 -0.046 0.000 0.969 59 R CA -2.264 53.826 56.100 -0.016 0.000 0.918 59 R CB 1.424 31.724 30.300 -0.000 0.000 1.175 59 R HN 0.033 nan 8.270 nan 0.000 0.464 60 P HA 0.097 nan 4.420 nan 0.000 0.260 60 P C -0.404 176.763 177.300 -0.221 0.000 1.651 60 P CA 0.303 63.310 63.100 -0.156 0.000 1.139 60 P CB 0.390 31.995 31.700 -0.159 0.000 1.756 61 M N 1.084 120.530 119.600 -0.256 0.000 2.925 61 M HA 0.062 4.542 4.480 -0.000 0.000 0.249 61 M C 1.882 177.674 176.300 -0.846 0.000 1.439 61 M CA 0.636 55.725 55.300 -0.353 0.000 1.217 61 M CB -0.181 32.360 32.600 -0.099 0.000 1.245 61 M HN 0.083 nan 8.290 nan 0.000 0.552 62 Y N 1.016 120.685 120.300 -1.050 0.000 2.243 62 Y HA 0.174 4.724 4.550 -0.000 0.000 0.293 62 Y C 1.363 176.875 175.900 -0.646 0.000 1.124 62 Y CA 1.127 58.581 58.100 -1.078 0.000 1.159 62 Y CB 0.539 38.616 38.460 -0.639 0.000 1.008 62 Y HN -0.027 nan 8.280 nan 0.000 0.527 63 R N -0.882 119.219 120.500 -0.666 0.000 3.142 63 R HA 0.076 4.416 4.340 -0.000 0.000 0.260 63 R C 0.915 176.888 176.300 -0.544 0.000 1.129 63 R CA 0.151 55.769 56.100 -0.803 0.000 0.976 63 R CB 0.523 30.463 30.300 -0.600 0.000 1.396 63 R HN 0.126 nan 8.270 nan 0.000 0.434 64 E N 0.955 120.894 120.200 -0.434 0.000 2.385 64 E HA 0.019 4.368 4.350 -0.000 0.000 0.194 64 E C -0.607 175.913 176.600 -0.133 0.000 1.013 64 E CA 0.868 57.110 56.400 -0.264 0.000 0.866 64 E CB 0.294 29.910 29.700 -0.140 0.000 0.832 64 E HN 0.435 nan 8.360 nan 0.000 0.500 65 E N 1.185 121.328 120.200 -0.096 0.000 2.349 65 E HA 0.284 4.633 4.350 -0.000 0.000 0.262 65 E C -0.268 176.302 176.600 -0.050 0.000 1.088 65 E CA -0.030 56.340 56.400 -0.050 0.000 0.899 65 E CB 1.180 30.870 29.700 -0.017 0.000 1.044 65 E HN 0.258 nan 8.360 nan 0.000 0.420 66 T N -1.848 112.683 114.554 -0.040 0.000 2.906 66 T HA 0.387 4.737 4.350 -0.000 0.000 0.295 66 T C 1.026 175.709 174.700 -0.029 0.000 1.075 66 T CA -0.769 61.311 62.100 -0.034 0.000 1.005 66 T CB 0.777 69.624 68.868 -0.035 0.000 1.136 66 T HN 0.378 nan 8.240 nan 0.000 0.498 67 I N 0.536 121.092 120.570 -0.022 0.000 2.163 67 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 67 I C 2.981 179.080 176.117 -0.031 0.000 1.085 67 I CA 1.578 62.865 61.300 -0.022 0.000 1.347 67 I CB -0.415 37.576 38.000 -0.015 0.000 1.044 67 I HN 0.929 nan 8.210 nan 0.000 0.408 68 C N 1.408 120.690 119.300 -0.030 0.000 2.393 68 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 68 C C 2.978 177.938 174.990 -0.050 0.000 1.215 68 C CA 1.485 60.482 59.018 -0.035 0.000 1.743 68 C CB -1.637 26.085 27.740 -0.030 0.000 2.044 68 C HN 0.632 nan 8.230 nan 0.000 0.464 69 G N -0.318 108.451 108.800 -0.053 0.000 2.408 69 G HA2 0.086 4.045 3.960 -0.000 0.000 0.217 69 G HA3 0.086 4.045 3.960 -0.000 0.000 0.217 69 G C 1.987 176.829 174.900 -0.096 0.000 1.150 69 G CA 1.074 46.132 45.100 -0.071 0.000 0.776 69 G HN 0.853 nan 8.290 nan 0.000 0.542 70 A N 0.573 123.347 122.820 -0.076 0.000 1.898 70 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 70 A C 2.406 179.927 177.584 -0.106 0.000 1.181 70 A CA 1.052 53.039 52.037 -0.083 0.000 0.620 70 A CB -0.343 18.635 19.000 -0.036 0.000 0.819 70 A HN 0.343 nan 8.150 nan 0.000 0.442 71 L N -1.012 120.163 121.223 -0.080 0.000 2.056 71 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 71 L C 2.733 179.535 176.870 -0.114 0.000 1.078 71 L CA 1.090 55.884 54.840 -0.076 0.000 0.749 71 L CB -0.785 41.249 42.059 -0.041 0.000 0.901 71 L HN 0.479 nan 8.230 nan 0.000 0.433 72 C N -0.287 118.942 119.300 -0.118 0.000 2.413 72 C HA -0.198 4.262 4.460 -0.000 0.000 0.276 72 C C 2.756 177.608 174.990 -0.230 0.000 1.236 72 C CA 0.714 59.647 59.018 -0.142 0.000 1.735 72 C CB -0.696 26.971 27.740 -0.122 0.000 2.031 72 C HN 0.446 nan 8.230 nan 0.000 0.474 73 L N 0.273 121.311 121.223 -0.308 0.000 2.046 73 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 73 L C 2.281 178.778 176.870 -0.621 0.000 1.077 73 L CA 1.713 56.223 54.840 -0.551 0.000 0.747 73 L CB -0.789 40.882 42.059 -0.647 0.000 0.896 73 L HN 0.313 nan 8.230 nan 0.000 0.432 74 L N -0.508 120.486 121.223 -0.382 0.000 1.970 74 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 74 L C 2.852 179.581 176.870 -0.235 0.000 1.071 74 L CA 2.116 56.827 54.840 -0.214 0.000 0.751 74 L CB -0.524 41.473 42.059 -0.104 0.000 0.889 74 L HN 0.378 nan 8.230 nan 0.000 0.432 75 R N -0.444 119.901 120.500 -0.258 0.000 2.115 75 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 75 R C 2.120 178.299 176.300 -0.203 0.000 1.100 75 R CA 1.235 57.138 56.100 -0.329 0.000 0.980 75 R CB -0.920 29.249 30.300 -0.219 0.000 0.875 75 R HN 0.277 nan 8.270 nan 0.000 0.445 76 G N -0.373 108.317 108.800 -0.183 0.000 2.494 76 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.216 76 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.216 76 G C 0.862 175.671 174.900 -0.152 0.000 1.140 76 G CA 1.018 46.031 45.100 -0.145 0.000 0.801 76 G HN 0.373 nan 8.290 nan 0.000 0.536 77 T N -0.433 113.985 114.554 -0.227 0.000 3.388 77 T HA 0.187 4.537 4.350 -0.000 0.000 0.254 77 T C 1.770 176.474 174.700 0.006 0.000 1.002 77 T CA -0.241 61.734 62.100 -0.208 0.000 1.164 77 T CB -0.102 68.450 68.868 -0.526 0.000 1.184 77 T HN -0.018 nan 8.240 nan 0.000 0.399 78 F N 2.261 122.125 119.950 -0.142 0.000 2.102 78 F HA 0.161 4.688 4.527 -0.001 0.000 0.298 78 F C 2.235 178.004 175.800 -0.052 0.000 1.105 78 F CA 0.410 58.360 58.000 -0.082 0.000 1.239 78 F CB -1.326 37.623 39.000 -0.085 0.000 0.991 78 F HN 0.072 nan 8.300 nan 0.000 0.474 79 L N -0.429 120.859 121.223 0.108 0.000 2.027 79 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 79 L C -0.245 176.660 176.870 0.058 0.000 1.074 79 L CA 1.334 56.198 54.840 0.040 0.000 0.745 79 L CB -2.103 39.901 42.059 -0.092 0.000 0.898 79 L HN 0.059 nan 8.230 nan 0.000 0.433 80 P HA -0.194 nan 4.420 nan 0.000 0.217 80 P C 1.322 178.676 177.300 0.090 0.000 1.148 80 P CA 1.735 64.871 63.100 0.059 0.000 0.828 80 P CB -0.003 31.720 31.700 0.038 0.000 0.783 81 A N -0.917 121.975 122.820 0.120 0.000 2.119 81 A HA -0.073 4.246 4.320 -0.000 0.000 0.217 81 A C 1.939 179.629 177.584 0.176 0.000 1.153 81 A CA 1.232 53.356 52.037 0.145 0.000 0.692 81 A CB -1.201 17.907 19.000 0.180 0.000 0.799 81 A HN 0.387 nan 8.150 nan 0.000 0.458 82 I N -4.801 115.876 120.570 0.177 0.000 4.312 82 I HA 0.345 4.515 4.170 -0.000 0.000 0.324 82 I C 0.094 176.360 176.117 0.248 0.000 1.298 82 I CA -0.322 61.145 61.300 0.279 0.000 1.231 82 I CB 0.009 38.101 38.000 0.153 0.000 1.152 82 I HN -0.096 nan 8.210 nan 0.000 0.421 83 L N 3.705 125.022 121.223 0.156 0.000 2.462 83 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 83 L C 1.412 178.335 176.870 0.088 0.000 1.166 83 L CA 1.134 56.051 54.840 0.129 0.000 0.880 83 L CB 0.482 42.608 42.059 0.112 0.000 1.142 83 L HN 0.636 nan 8.230 nan 0.000 0.473 84 G N 1.705 110.551 108.800 0.076 0.000 2.205 84 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.261 84 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.261 84 G C 0.361 175.237 174.900 -0.041 0.000 0.980 84 G CA -0.307 44.807 45.100 0.024 0.000 0.632 84 G HN 0.534 nan 8.290 nan 0.000 0.533 85 Q N 0.611 120.372 119.800 -0.065 0.000 2.312 85 Q HA 0.575 4.915 4.340 -0.000 0.000 0.236 85 Q C -0.108 175.582 176.000 -0.516 0.000 0.965 85 Q CA 0.270 55.877 55.803 -0.327 0.000 0.894 85 Q CB 1.203 29.669 28.738 -0.455 0.000 1.225 85 Q HN 0.242 nan 8.270 nan 0.000 0.478 86 T N 2.015 116.130 114.554 -0.731 0.000 2.823 86 T HA 0.672 5.021 4.350 -0.000 0.000 0.279 86 T C -0.766 173.331 174.700 -1.006 0.000 0.998 86 T CA -0.290 61.426 62.100 -0.640 0.000 0.994 86 T CB 0.297 68.964 68.868 -0.334 0.000 0.960 86 T HN 0.250 nan 8.240 nan 0.000 0.448 87 F N 0.214 119.780 119.950 -0.640 0.000 2.576 87 F HA 0.600 5.126 4.527 -0.001 0.000 0.313 87 F C 0.988 176.338 175.800 -0.750 0.000 1.078 87 F CA -1.236 56.321 58.000 -0.740 0.000 0.921 87 F CB 1.606 40.025 39.000 -0.968 0.000 1.232 87 F HN 0.632 nan 8.300 nan 0.000 0.459 88 A N 1.838 124.493 122.820 -0.274 0.000 1.975 88 A HA 0.162 4.482 4.320 -0.000 0.000 0.215 88 A C 0.283 177.606 177.584 -0.435 0.000 1.170 88 A CA 0.939 52.835 52.037 -0.235 0.000 0.656 88 A CB -0.518 18.389 19.000 -0.155 0.000 0.821 88 A HN 0.839 nan 8.150 nan 0.000 0.449 89 N N -3.302 115.123 118.700 -0.457 0.000 3.116 89 N HA 0.204 4.943 4.740 -0.000 0.000 0.244 89 N C -3.040 172.140 175.510 -0.551 0.000 1.485 89 N CA -1.447 51.099 53.050 -0.841 0.000 0.884 89 N CB 0.785 38.783 38.487 -0.815 0.000 1.415 89 N HN -0.311 nan 8.380 nan 0.000 0.524 90 P HA -0.093 nan 4.420 nan 0.000 0.218 90 P C 0.665 177.666 177.300 -0.499 0.000 1.148 90 P CA 1.437 64.071 63.100 -0.777 0.000 0.822 90 P CB 0.183 30.860 31.700 -1.706 0.000 0.784 91 E N -0.202 119.757 120.200 -0.402 0.000 2.077 91 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 91 E C 2.154 178.647 176.600 -0.178 0.000 0.989 91 E CA 1.545 57.833 56.400 -0.187 0.000 0.800 91 E CB -1.062 28.579 29.700 -0.097 0.000 0.746 91 E HN 0.158 nan 8.360 nan 0.000 0.452 92 A N 0.451 123.152 122.820 -0.197 0.000 1.933 92 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 92 A C 2.437 179.905 177.584 -0.194 0.000 1.175 92 A CA 1.261 53.241 52.037 -0.095 0.000 0.628 92 A CB -0.642 18.360 19.000 0.004 0.000 0.814 92 A HN 0.144 nan 8.150 nan 0.000 0.444 93 V N -0.148 119.445 119.914 -0.535 0.000 2.255 93 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 93 V C 2.783 178.618 176.094 -0.432 0.000 1.051 93 V CA 2.404 64.183 62.300 -0.869 0.000 1.018 93 V CB -1.043 30.315 31.823 -0.775 0.000 0.641 93 V HN 0.552 nan 8.190 nan 0.000 0.445 94 S N -0.169 115.355 115.700 -0.293 0.000 2.359 94 S HA -0.299 4.171 4.470 -0.000 0.000 0.224 94 S C 1.848 176.359 174.600 -0.148 0.000 1.035 94 S CA 1.996 60.075 58.200 -0.201 0.000 1.018 94 S CB -0.538 62.590 63.200 -0.120 0.000 0.876 94 S HN 0.812 nan 8.310 nan 0.000 0.448 95 D N 1.319 121.653 120.400 -0.109 0.000 2.149 95 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 95 D C 1.714 177.997 176.300 -0.030 0.000 0.990 95 D CA 1.205 55.172 54.000 -0.056 0.000 0.839 95 D CB -0.231 40.548 40.800 -0.035 0.000 0.948 95 D HN 0.370 nan 8.370 nan 0.000 0.460 96 A N -0.299 122.511 122.820 -0.017 0.000 2.209 96 A HA 0.089 4.409 4.320 -0.000 0.000 0.212 96 A C 1.811 179.420 177.584 0.042 0.000 1.158 96 A CA 0.250 52.324 52.037 0.061 0.000 0.742 96 A CB -0.471 18.667 19.000 0.230 0.000 0.790 96 A HN 0.388 nan 8.150 nan 0.000 0.472 97 L N -0.378 120.824 121.223 -0.036 0.000 2.627 97 L HA 0.264 4.604 4.340 -0.000 0.000 0.232 97 L C 1.350 178.331 176.870 0.184 0.000 1.150 97 L CA 0.178 55.011 54.840 -0.012 0.000 0.917 97 L CB -1.204 40.623 42.059 -0.387 0.000 1.104 97 L HN 0.559 nan 8.230 nan 0.000 0.445 98 G N 0.842 109.691 108.800 0.082 0.000 2.750 98 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.228 98 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.228 98 G C 0.423 175.262 174.900 -0.101 0.000 1.367 98 G CA -0.022 45.051 45.100 -0.045 0.000 0.871 98 G HN 0.392 nan 8.290 nan 0.000 0.560 99 S N -1.050 114.486 115.700 -0.275 0.000 2.582 99 S HA 0.403 4.873 4.470 -0.000 0.000 0.234 99 S C 0.664 175.184 174.600 -0.134 0.000 0.961 99 S CA 0.100 58.204 58.200 -0.161 0.000 0.953 99 S CB -0.125 62.993 63.200 -0.138 0.000 0.800 99 S HN 0.767 nan 8.310 nan 0.000 0.471 100 Y N 2.794 123.145 120.300 0.084 0.000 2.993 100 Y HA 0.000 4.550 4.550 -0.000 0.000 0.340 100 Y C 1.334 177.288 175.900 0.091 0.000 1.273 100 Y CA -0.015 58.149 58.100 0.106 0.000 1.545 100 Y CB 0.353 38.929 38.460 0.193 0.000 1.275 100 Y HN 0.144 nan 8.280 nan 0.000 0.617 101 R N 1.910 122.545 120.500 0.226 0.000 2.428 101 R HA 0.456 4.796 4.340 -0.000 0.000 0.294 101 R C 0.843 177.225 176.300 0.137 0.000 1.000 101 R CA 0.047 56.229 56.100 0.137 0.000 0.960 101 R CB 1.225 31.581 30.300 0.093 0.000 1.076 101 R HN 0.975 nan 8.270 nan 0.000 0.475 102 G N 2.508 111.374 108.800 0.110 0.000 2.574 102 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.286 102 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.286 102 G C -0.321 174.651 174.900 0.120 0.000 1.212 102 G CA 0.326 45.486 45.100 0.100 0.000 0.979 102 G HN 0.873 nan 8.290 nan 0.000 0.557 103 N N -0.217 118.542 118.700 0.098 0.000 2.699 103 N HA -0.198 4.541 4.740 -0.000 0.000 0.256 103 N C 1.471 177.059 175.510 0.130 0.000 0.993 103 N CA 1.126 54.238 53.050 0.104 0.000 0.759 103 N CB -0.136 38.418 38.487 0.111 0.000 0.906 103 N HN 0.626 nan 8.380 nan 0.000 0.541 104 R N 0.278 120.833 120.500 0.091 0.000 2.070 104 R HA -0.063 4.277 4.340 -0.000 0.000 0.233 104 R C 1.865 178.201 176.300 0.060 0.000 1.137 104 R CA 1.717 57.859 56.100 0.070 0.000 0.945 104 R CB -0.320 30.013 30.300 0.054 0.000 0.845 104 R HN 0.540 nan 8.270 nan 0.000 0.430 105 M N 0.282 119.914 119.600 0.053 0.000 2.149 105 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 105 M C 2.531 178.861 176.300 0.050 0.000 1.064 105 M CA 1.877 57.198 55.300 0.035 0.000 1.102 105 M CB -0.516 32.102 32.600 0.030 0.000 1.369 105 M HN 0.177 nan 8.290 nan 0.000 0.408 106 A N 0.714 123.590 122.820 0.092 0.000 1.883 106 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 106 A C 2.171 179.905 177.584 0.251 0.000 1.186 106 A CA 1.780 53.912 52.037 0.160 0.000 0.624 106 A CB -0.663 18.432 19.000 0.159 0.000 0.822 106 A HN 0.445 nan 8.150 nan 0.000 0.444 107 R N -0.651 119.982 120.500 0.221 0.000 2.096 107 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 107 R C 2.437 178.707 176.300 -0.049 0.000 1.127 107 R CA 1.091 57.173 56.100 -0.029 0.000 0.968 107 R CB -0.447 29.798 30.300 -0.092 0.000 0.861 107 R HN 0.526 nan 8.270 nan 0.000 0.440 108 A N 1.007 123.821 122.820 -0.010 0.000 1.933 108 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 108 A C 2.140 179.694 177.584 -0.049 0.000 1.175 108 A CA 1.321 53.333 52.037 -0.041 0.000 0.628 108 A CB -0.408 18.557 19.000 -0.058 0.000 0.814 108 A HN 0.199 nan 8.150 nan 0.000 0.444 109 M N -0.763 118.824 119.600 -0.022 0.000 2.108 109 M HA -0.162 4.317 4.480 -0.000 0.000 0.261 109 M C 2.088 178.381 176.300 -0.011 0.000 1.066 109 M CA 1.611 56.898 55.300 -0.022 0.000 1.107 109 M CB -0.471 32.136 32.600 0.011 0.000 1.356 109 M HN 0.288 nan 8.290 nan 0.000 0.406 110 V N -0.272 119.638 119.914 -0.007 0.000 2.323 110 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 110 V C 2.387 178.456 176.094 -0.041 0.000 1.041 110 V CA 1.699 63.981 62.300 -0.030 0.000 1.025 110 V CB -0.749 31.025 31.823 -0.082 0.000 0.656 110 V HN 0.465 nan 8.190 nan 0.000 0.451 111 E N 0.213 120.387 120.200 -0.044 0.000 2.051 111 E HA -0.220 4.129 4.350 -0.000 0.000 0.192 111 E C 2.207 178.919 176.600 0.186 0.000 0.991 111 E CA 1.777 58.188 56.400 0.018 0.000 0.799 111 E CB -0.137 29.587 29.700 0.040 0.000 0.748 111 E HN 0.564 nan 8.360 nan 0.000 0.449 112 M N 0.028 119.718 119.600 0.151 0.000 2.175 112 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 112 M C 2.467 178.930 176.300 0.272 0.000 1.063 112 M CA 1.424 56.867 55.300 0.239 0.000 1.119 112 M CB -0.248 32.250 32.600 -0.169 0.000 1.377 112 M HN 0.091 nan 8.290 nan 0.000 0.415 113 A N 0.684 123.573 122.820 0.114 0.000 1.908 113 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 113 A C 2.404 180.046 177.584 0.097 0.000 1.181 113 A CA 2.013 54.116 52.037 0.110 0.000 0.627 113 A CB -0.946 18.079 19.000 0.042 0.000 0.818 113 A HN 0.496 nan 8.150 nan 0.000 0.445 114 A N -1.515 121.340 122.820 0.058 0.000 1.902 114 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 114 A C 1.982 179.533 177.584 -0.054 0.000 1.181 114 A CA 1.344 53.360 52.037 -0.034 0.000 0.623 114 A CB -0.946 17.987 19.000 -0.111 0.000 0.818 114 A HN 0.742 nan 8.150 nan 0.000 0.443 115 W N -0.016 121.328 121.300 0.073 0.000 2.342 115 W HA -0.187 4.472 4.660 -0.001 0.000 0.297 115 W C 2.066 178.612 176.519 0.044 0.000 1.213 115 W CA 1.457 58.870 57.345 0.113 0.000 1.251 115 W CB -0.110 29.443 29.460 0.155 0.000 1.136 115 W HN 0.478 nan 8.180 nan 0.000 0.526 116 D N -0.279 120.279 120.400 0.263 0.000 2.103 116 D HA -0.165 4.474 4.640 -0.000 0.000 0.199 116 D C 2.027 178.319 176.300 -0.014 0.000 0.978 116 D CA 1.123 55.170 54.000 0.078 0.000 0.829 116 D CB -0.447 40.412 40.800 0.098 0.000 0.981 116 D HN -0.024 nan 8.370 nan 0.000 0.464 117 L N 0.812 122.015 121.223 -0.034 0.000 1.970 117 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 117 L C 2.234 178.987 176.870 -0.196 0.000 1.071 117 L CA 1.941 56.709 54.840 -0.119 0.000 0.751 117 L CB -1.142 40.832 42.059 -0.143 0.000 0.889 117 L HN 0.402 nan 8.230 nan 0.000 0.432 118 W N 0.274 121.253 121.300 -0.534 0.000 2.335 118 W HA -0.281 4.379 4.660 -0.000 0.000 0.311 118 W C 2.053 178.418 176.519 -0.255 0.000 1.213 118 W CA 1.798 58.778 57.345 -0.608 0.000 1.274 118 W CB -0.227 28.819 29.460 -0.690 0.000 1.148 118 W HN 0.362 nan 8.180 nan 0.000 0.498 119 A N 1.206 123.872 122.820 -0.256 0.000 1.969 119 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 119 A C 1.995 179.404 177.584 -0.292 0.000 1.169 119 A CA 1.656 53.495 52.037 -0.329 0.000 0.635 119 A CB -0.790 18.132 19.000 -0.130 0.000 0.810 119 A HN 0.415 nan 8.150 nan 0.000 0.445 120 R N -0.572 119.803 120.500 -0.209 0.000 2.148 120 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 120 R C 2.364 178.564 176.300 -0.166 0.000 1.088 120 R CA 1.542 57.546 56.100 -0.161 0.000 0.985 120 R CB -0.497 29.737 30.300 -0.110 0.000 0.880 120 R HN 0.743 nan 8.270 nan 0.000 0.451 121 T N -1.110 113.319 114.554 -0.208 0.000 2.915 121 T HA -0.030 4.319 4.350 -0.000 0.000 0.269 121 T C 1.716 176.281 174.700 -0.226 0.000 1.071 121 T CA 0.886 62.885 62.100 -0.169 0.000 1.132 121 T CB -0.055 68.748 68.868 -0.108 0.000 0.878 121 T HN 0.146 nan 8.240 nan 0.000 0.479 122 L N 0.207 121.210 121.223 -0.366 0.000 2.477 122 L HA 0.393 4.732 4.340 -0.000 0.000 0.220 122 L C 2.072 178.815 176.870 -0.212 0.000 1.106 122 L CA 0.385 55.020 54.840 -0.340 0.000 0.851 122 L CB -0.516 41.228 42.059 -0.526 0.000 0.994 122 L HN 0.555 nan 8.230 nan 0.000 0.462 123 G N 0.975 109.664 108.800 -0.186 0.000 2.160 123 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 123 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 123 G C -0.045 174.785 174.900 -0.117 0.000 1.022 123 G CA 0.167 45.192 45.100 -0.125 0.000 0.741 123 G HN 0.132 nan 8.290 nan 0.000 0.508 124 V N 0.442 120.266 119.914 -0.150 0.000 2.628 124 V HA 0.594 4.714 4.120 -0.000 0.000 0.306 124 V C -1.845 174.182 176.094 -0.112 0.000 1.045 124 V CA -2.022 60.207 62.300 -0.118 0.000 0.905 124 V CB 2.173 33.917 31.823 -0.131 0.000 0.997 124 V HN 0.077 nan 8.190 nan 0.000 0.436 125 P HA 0.093 nan 4.420 nan 0.000 0.269 125 P C 0.555 177.789 177.300 -0.110 0.000 1.215 125 P CA -0.215 62.852 63.100 -0.055 0.000 0.780 125 P CB 0.697 32.440 31.700 0.072 0.000 0.898 126 L N 3.638 124.680 121.223 -0.301 0.000 1.994 126 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 126 L C 2.313 179.063 176.870 -0.201 0.000 1.071 126 L CA 2.654 57.293 54.840 -0.335 0.000 0.745 126 L CB -1.808 39.861 42.059 -0.650 0.000 0.892 126 L HN 0.513 nan 8.230 nan 0.000 0.431 127 G N -1.578 107.242 108.800 0.033 0.000 2.503 127 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.221 127 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.221 127 G C 1.439 176.316 174.900 -0.039 0.000 1.131 127 G CA 1.455 46.557 45.100 0.003 0.000 0.756 127 G HN 0.473 nan 8.290 nan 0.000 0.572 128 T N 1.126 115.682 114.554 0.004 0.000 2.720 128 T HA -0.044 4.305 4.350 -0.000 0.000 0.268 128 T C 2.357 177.064 174.700 0.012 0.000 1.037 128 T CA 0.983 63.090 62.100 0.012 0.000 1.144 128 T CB -0.185 68.692 68.868 0.015 0.000 0.864 128 T HN 0.182 nan 8.240 nan 0.000 0.444 129 L N 0.296 121.522 121.223 0.005 0.000 2.291 129 L HA 0.103 4.443 4.340 -0.000 0.000 0.214 129 L C 2.069 178.961 176.870 0.036 0.000 1.120 129 L CA 0.689 55.580 54.840 0.085 0.000 0.799 129 L CB -0.353 41.833 42.059 0.212 0.000 0.925 129 L HN 0.268 nan 8.230 nan 0.000 0.446 130 L N -0.907 120.241 121.223 -0.126 0.000 2.492 130 L HA 0.133 4.473 4.340 -0.000 0.000 0.223 130 L C 1.503 178.321 176.870 -0.085 0.000 1.132 130 L CA 0.736 55.457 54.840 -0.198 0.000 0.850 130 L CB -0.226 41.625 42.059 -0.346 0.000 0.966 130 L HN 0.459 nan 8.230 nan 0.000 0.454 131 G N -0.434 108.349 108.800 -0.028 0.000 2.184 131 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.206 131 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.206 131 G C 0.496 175.413 174.900 0.029 0.000 0.995 131 G CA -0.361 44.755 45.100 0.025 0.000 0.651 131 G HN 0.466 nan 8.290 nan 0.000 0.511 132 G N -0.334 108.443 108.800 -0.039 0.000 2.444 132 G HA2 0.605 4.564 3.960 -0.000 0.000 0.268 132 G HA3 0.605 4.564 3.960 -0.000 0.000 0.268 132 G C 0.142 175.026 174.900 -0.026 0.000 1.203 132 G CA 0.263 45.301 45.100 -0.104 0.000 0.835 132 G HN 1.267 nan 8.290 nan 0.000 0.543 133 H N -1.586 117.479 119.070 -0.008 0.000 2.865 133 H HA 0.357 4.913 4.556 -0.000 0.000 0.247 133 H C 0.272 175.593 175.328 -0.011 0.000 1.181 133 H CA -0.664 55.379 56.048 -0.009 0.000 0.975 133 H CB -0.072 29.692 29.762 0.003 0.000 1.899 133 H HN 0.302 nan 8.280 nan 0.000 0.651 134 K N 1.069 121.389 120.400 -0.133 0.000 2.270 134 K HA 0.109 4.429 4.320 -0.000 0.000 0.276 134 K C 0.159 176.727 176.600 -0.053 0.000 1.023 134 K CA -0.025 56.220 56.287 -0.070 0.000 0.955 134 K CB 1.289 33.735 32.500 -0.089 0.000 0.975 134 K HN 0.429 nan 8.250 nan 0.000 0.471 135 E N 1.145 121.327 120.200 -0.031 0.000 2.431 135 E HA -0.050 4.300 4.350 -0.000 0.000 0.200 135 E C -0.130 176.435 176.600 -0.058 0.000 0.995 135 E CA 0.203 56.578 56.400 -0.041 0.000 0.915 135 E CB 0.617 30.308 29.700 -0.016 0.000 0.930 135 E HN 0.491 nan 8.360 nan 0.000 0.496 136 Q N 0.169 119.940 119.800 -0.048 0.000 2.462 136 Q HA 0.502 4.841 4.340 -0.000 0.000 0.285 136 Q C -0.823 175.154 176.000 -0.038 0.000 1.035 136 Q CA -1.004 54.771 55.803 -0.047 0.000 0.799 136 Q CB 2.130 30.850 28.738 -0.030 0.000 1.452 136 Q HN -0.033 nan 8.270 nan 0.000 0.404 137 V N -2.125 117.770 119.914 -0.031 0.000 2.680 137 V HA 0.562 4.681 4.120 -0.000 0.000 0.309 137 V C -0.455 175.655 176.094 0.026 0.000 1.052 137 V CA -0.861 61.433 62.300 -0.010 0.000 0.908 137 V CB 1.764 33.562 31.823 -0.042 0.000 1.001 137 V HN 0.847 nan 8.190 nan 0.000 0.431 138 E N 2.496 122.728 120.200 0.053 0.000 2.338 138 E HA 0.531 4.881 4.350 -0.000 0.000 0.272 138 E C -0.417 176.243 176.600 0.099 0.000 1.029 138 E CA -0.347 56.092 56.400 0.065 0.000 0.872 138 E CB 1.925 31.664 29.700 0.065 0.000 1.015 138 E HN 0.917 nan 8.360 nan 0.000 0.417 139 V N -0.448 119.535 119.914 0.116 0.000 2.962 139 V HA 0.880 4.999 4.120 -0.000 0.000 0.313 139 V C 0.144 176.360 176.094 0.204 0.000 1.099 139 V CA -0.713 61.687 62.300 0.167 0.000 0.971 139 V CB 1.748 33.697 31.823 0.210 0.000 1.028 139 V HN 0.700 nan 8.190 nan 0.000 0.430 140 G N 0.401 109.268 108.800 0.112 0.000 3.107 140 G HA2 0.741 4.700 3.960 -0.000 0.000 0.232 140 G HA3 0.741 4.700 3.960 -0.000 0.000 0.232 140 G C -1.217 173.561 174.900 -0.204 0.000 1.339 140 G CA -0.717 44.393 45.100 0.018 0.000 1.033 140 G HN 1.335 nan 8.290 nan 0.000 0.567 141 V N -0.625 119.070 119.914 -0.365 0.000 2.841 141 V HA 0.686 4.806 4.120 -0.000 0.000 0.310 141 V C -0.686 175.185 176.094 -0.372 0.000 1.090 141 V CA -0.672 61.295 62.300 -0.556 0.000 0.930 141 V CB 2.162 33.367 31.823 -1.030 0.000 1.014 141 V HN 0.875 nan 8.190 nan 0.000 0.425 142 S N 6.817 122.355 115.700 -0.270 0.000 2.438 142 S HA 0.663 5.133 4.470 -0.000 0.000 0.316 142 S C -0.914 173.606 174.600 -0.134 0.000 1.084 142 S CA -0.588 57.548 58.200 -0.107 0.000 1.107 142 S CB 0.379 63.644 63.200 0.107 0.000 0.981 142 S HN 0.609 nan 8.310 nan 0.000 0.466 143 L N 5.146 126.269 121.223 -0.166 0.000 2.265 143 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 143 L C 1.387 178.193 176.870 -0.105 0.000 1.033 143 L CA -0.977 53.753 54.840 -0.184 0.000 0.814 143 L CB 0.943 42.859 42.059 -0.239 0.000 1.203 143 L HN 0.813 nan 8.230 nan 0.000 0.423 144 G N 3.567 112.320 108.800 -0.078 0.000 2.794 144 G HA2 0.135 4.095 3.960 -0.000 0.000 0.249 144 G HA3 0.135 4.095 3.960 -0.000 0.000 0.249 144 G C 0.254 175.052 174.900 -0.170 0.000 1.236 144 G CA -0.582 44.332 45.100 -0.311 0.000 0.880 144 G HN 0.502 nan 8.290 nan 0.000 0.586 145 I N 0.436 120.898 120.570 -0.180 0.000 2.813 145 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 145 I C 0.908 177.034 176.117 0.016 0.000 1.196 145 I CA 0.126 61.393 61.300 -0.055 0.000 1.421 145 I CB 0.916 38.883 38.000 -0.055 0.000 1.365 145 I HN 0.515 nan 8.210 nan 0.000 0.591 146 Q N 3.288 123.157 119.800 0.114 0.000 2.997 146 Q HA 0.652 4.992 4.340 -0.000 0.000 0.195 146 Q C 0.384 176.446 176.000 0.103 0.000 1.138 146 Q CA 0.214 56.106 55.803 0.148 0.000 0.552 146 Q CB 0.484 29.386 28.738 0.273 0.000 4.881 146 Q HN 0.754 nan 8.270 nan 0.000 0.330 147 A N -1.076 121.822 122.820 0.129 0.000 1.784 147 A HA 0.288 4.607 4.320 -0.000 0.000 0.185 147 A C -1.013 176.543 177.584 -0.046 0.000 1.964 147 A CA 0.686 52.713 52.037 -0.016 0.000 1.540 147 A CB 0.469 19.465 19.000 -0.006 0.000 1.588 147 A HN 0.612 nan 8.150 nan 0.000 0.320 148 D N -1.495 118.987 120.400 0.137 0.000 2.755 148 D HA 0.132 4.772 4.640 -0.000 0.000 0.277 148 D C 0.095 176.581 176.300 0.309 0.000 1.261 148 D CA 0.086 54.205 54.000 0.198 0.000 0.759 148 D CB -0.295 40.525 40.800 0.033 0.000 1.279 148 D HN -0.043 nan 8.370 nan 0.000 0.420 149 E N -0.426 119.977 120.200 0.338 0.000 2.035 149 E HA -0.314 4.035 4.350 -0.000 0.000 0.204 149 E C 1.353 178.016 176.600 0.104 0.000 1.025 149 E CA 2.159 58.686 56.400 0.212 0.000 0.835 149 E CB -0.019 29.784 29.700 0.170 0.000 0.764 149 E HN 0.516 nan 8.360 nan 0.000 0.457 150 Q N 0.690 120.537 119.800 0.078 0.000 2.033 150 Q HA 0.001 4.340 4.340 -0.000 0.000 0.196 150 Q C 1.480 177.514 176.000 0.057 0.000 0.970 150 Q CA 1.625 57.456 55.803 0.046 0.000 0.828 150 Q CB -0.241 28.512 28.738 0.025 0.000 0.895 150 Q HN 0.192 nan 8.270 nan 0.000 0.440 151 A N -0.612 122.244 122.820 0.060 0.000 2.281 151 A HA 0.106 4.426 4.320 -0.000 0.000 0.231 151 A C 1.264 178.889 177.584 0.069 0.000 1.317 151 A CA 1.010 53.078 52.037 0.053 0.000 0.959 151 A CB -0.581 18.441 19.000 0.036 0.000 0.900 151 A HN 0.381 nan 8.150 nan 0.000 0.497 152 T N -2.256 112.351 114.554 0.088 0.000 3.009 152 T HA 0.096 4.445 4.350 -0.000 0.000 0.267 152 T C 1.244 175.992 174.700 0.079 0.000 0.942 152 T CA 0.805 62.959 62.100 0.089 0.000 0.883 152 T CB 0.009 68.955 68.868 0.131 0.000 1.192 152 T HN 0.072 nan 8.240 nan 0.000 0.524 153 V N 2.006 121.977 119.914 0.095 0.000 3.026 153 V HA -0.070 4.050 4.120 -0.000 0.000 0.265 153 V C 2.060 178.247 176.094 0.155 0.000 1.121 153 V CA 1.479 63.870 62.300 0.152 0.000 1.142 153 V CB -0.505 31.421 31.823 0.171 0.000 0.730 153 V HN 0.422 nan 8.190 nan 0.000 0.503 154 D N 0.231 120.689 120.400 0.097 0.000 2.097 154 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 154 D C 1.915 178.252 176.300 0.063 0.000 0.989 154 D CA 1.083 55.128 54.000 0.075 0.000 0.827 154 D CB -0.213 40.616 40.800 0.049 0.000 0.966 154 D HN 0.363 nan 8.370 nan 0.000 0.456 155 L N 0.235 121.495 121.223 0.062 0.000 2.156 155 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 155 L C 2.067 179.029 176.870 0.154 0.000 1.095 155 L CA 1.026 55.916 54.840 0.084 0.000 0.770 155 L CB -0.146 41.947 42.059 0.057 0.000 0.914 155 L HN -0.113 nan 8.230 nan 0.000 0.439 156 V N -0.352 119.604 119.914 0.070 0.000 2.283 156 V HA -0.240 3.880 4.120 -0.000 0.000 0.243 156 V C 2.688 178.705 176.094 -0.129 0.000 1.039 156 V CA 1.877 64.161 62.300 -0.027 0.000 1.016 156 V CB -0.641 31.140 31.823 -0.070 0.000 0.650 156 V HN 0.503 nan 8.190 nan 0.000 0.449 157 R N 0.473 120.982 120.500 0.015 0.000 2.096 157 R HA -0.286 4.054 4.340 -0.000 0.000 0.240 157 R C 2.386 178.684 176.300 -0.004 0.000 1.139 157 R CA 2.386 58.551 56.100 0.108 0.000 0.952 157 R CB -0.397 30.137 30.300 0.390 0.000 0.854 157 R HN 0.416 nan 8.270 nan 0.000 0.436 158 R N -0.384 120.101 120.500 -0.025 0.000 2.112 158 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 158 R C 1.918 178.090 176.300 -0.213 0.000 1.137 158 R CA 2.574 58.587 56.100 -0.144 0.000 0.944 158 R CB -0.533 29.620 30.300 -0.245 0.000 0.857 158 R HN 0.530 nan 8.270 nan 0.000 0.435 159 H N -1.343 117.693 119.070 -0.056 0.000 2.436 159 H HA 0.065 4.621 4.556 -0.000 0.000 0.294 159 H C 1.861 177.196 175.328 0.012 0.000 1.048 159 H CA 1.225 57.292 56.048 0.031 0.000 1.353 159 H CB 0.207 29.942 29.762 -0.045 0.000 1.414 159 H HN -0.004 nan 8.280 nan 0.000 0.536 160 V N 0.967 120.843 119.914 -0.063 0.000 2.490 160 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 160 V C 1.681 177.732 176.094 -0.072 0.000 1.061 160 V CA 1.811 64.016 62.300 -0.158 0.000 1.064 160 V CB -0.291 31.228 31.823 -0.507 0.000 0.670 160 V HN 0.542 nan 8.190 nan 0.000 0.461 161 E N -0.414 119.757 120.200 -0.049 0.000 2.427 161 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 161 E C 1.918 178.483 176.600 -0.057 0.000 1.028 161 E CA 0.348 56.730 56.400 -0.029 0.000 0.864 161 E CB -0.037 29.657 29.700 -0.011 0.000 0.813 161 E HN 0.528 nan 8.360 nan 0.000 0.514 162 Q N -0.451 119.308 119.800 -0.068 0.000 2.425 162 Q HA 0.050 4.390 4.340 -0.000 0.000 0.204 162 Q C 1.222 177.079 176.000 -0.239 0.000 0.933 162 Q CA 0.718 56.436 55.803 -0.141 0.000 0.939 162 Q CB 0.973 29.637 28.738 -0.124 0.000 1.044 162 Q HN 0.428 nan 8.270 nan 0.000 0.513 163 G N 0.411 109.119 108.800 -0.153 0.000 2.136 163 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.242 163 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.242 163 G C -0.270 174.530 174.900 -0.167 0.000 0.989 163 G CA -0.213 44.796 45.100 -0.151 0.000 0.682 163 G HN 0.339 nan 8.290 nan 0.000 0.522 164 Y N 0.414 120.692 120.300 -0.038 0.000 2.712 164 Y HA 0.199 4.749 4.550 -0.000 0.000 0.333 164 Y C 2.160 178.021 175.900 -0.065 0.000 1.225 164 Y CA 0.334 58.409 58.100 -0.042 0.000 1.499 164 Y CB 0.462 38.900 38.460 -0.037 0.000 1.288 164 Y HN 0.132 nan 8.280 nan 0.000 0.575 165 R N 1.769 122.335 120.500 0.111 0.000 2.297 165 R HA 0.094 4.433 4.340 -0.000 0.000 0.197 165 R C 0.434 176.723 176.300 -0.017 0.000 0.943 165 R CA 0.284 56.400 56.100 0.026 0.000 1.038 165 R CB 0.336 30.650 30.300 0.024 0.000 0.957 165 R HN 0.430 nan 8.270 nan 0.000 0.484 166 R N 1.220 121.700 120.500 -0.034 0.000 2.626 166 R HA 0.277 4.616 4.340 -0.000 0.000 0.274 166 R C -1.625 174.582 176.300 -0.154 0.000 1.031 166 R CA -0.549 55.476 56.100 -0.124 0.000 0.898 166 R CB 1.536 31.723 30.300 -0.189 0.000 1.222 166 R HN -0.094 nan 8.270 nan 0.000 0.455 167 I N 3.893 124.349 120.570 -0.190 0.000 2.354 167 I HA 0.369 4.538 4.170 -0.000 0.000 0.292 167 I C 0.073 176.053 176.117 -0.229 0.000 0.989 167 I CA -0.587 60.583 61.300 -0.217 0.000 1.188 167 I CB 1.465 39.338 38.000 -0.212 0.000 1.342 167 I HN 0.473 nan 8.210 nan 0.000 0.457 168 K N 7.894 128.162 120.400 -0.221 0.000 2.358 168 K HA 0.624 4.944 4.320 -0.000 0.000 0.260 168 K C -1.649 174.871 176.600 -0.134 0.000 0.956 168 K CA -0.550 55.634 56.287 -0.172 0.000 0.834 168 K CB 1.365 33.786 32.500 -0.132 0.000 1.102 168 K HN 0.556 nan 8.250 nan 0.000 0.431 169 L N 4.552 125.705 121.223 -0.117 0.000 2.282 169 L HA 0.411 4.751 4.340 -0.000 0.000 0.288 169 L C 0.302 177.136 176.870 -0.061 0.000 1.033 169 L CA -1.131 53.647 54.840 -0.103 0.000 0.807 169 L CB 1.251 43.234 42.059 -0.127 0.000 1.209 169 L HN 0.482 nan 8.230 nan 0.000 0.423 170 K N 4.354 124.715 120.400 -0.064 0.000 2.276 170 K HA 0.530 4.850 4.320 -0.000 0.000 0.259 170 K C -0.254 176.338 176.600 -0.012 0.000 1.001 170 K CA -0.095 56.164 56.287 -0.046 0.000 0.927 170 K CB 1.434 33.853 32.500 -0.134 0.000 0.969 170 K HN 0.661 nan 8.250 nan 0.000 0.490 171 I N -2.173 118.420 120.570 0.038 0.000 3.102 171 I HA 0.631 4.801 4.170 -0.000 0.000 0.310 171 I C -1.464 174.706 176.117 0.089 0.000 1.246 171 I CA -1.264 60.089 61.300 0.088 0.000 0.979 171 I CB 2.495 40.573 38.000 0.131 0.000 1.267 171 I HN 0.374 nan 8.210 nan 0.000 0.451 172 K N 0.925 121.376 120.400 0.084 0.000 2.556 172 K HA 0.634 4.954 4.320 -0.000 0.000 0.274 172 K C -3.229 173.334 176.600 -0.061 0.000 0.966 172 K CA -2.113 54.134 56.287 -0.066 0.000 0.865 172 K CB 0.004 32.469 32.500 -0.059 0.000 1.444 172 K HN 0.302 nan 8.250 nan 0.000 0.433 173 P HA 0.038 nan 4.420 nan 0.000 0.253 173 P C 0.422 177.747 177.300 0.042 0.000 1.159 173 P CA 1.625 64.666 63.100 -0.098 0.000 0.779 173 P CB -0.051 31.547 31.700 -0.171 0.000 0.745 174 G N 3.173 112.057 108.800 0.140 0.000 3.246 174 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.196 174 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.196 174 G C -1.072 174.031 174.900 0.339 0.000 2.019 174 G CA -0.569 44.632 45.100 0.169 0.000 1.385 174 G HN 0.517 nan 8.290 nan 0.000 0.484 175 W N 2.333 123.654 121.300 0.034 0.000 2.283 175 W HA 0.588 5.248 4.660 -0.000 0.000 0.317 175 W C -0.456 176.103 176.519 0.067 0.000 1.042 175 W CA -0.207 57.159 57.345 0.036 0.000 1.348 175 W CB 1.300 30.765 29.460 0.009 0.000 1.216 175 W HN 0.395 nan 8.180 nan 0.000 0.404 176 D N 1.457 121.843 120.400 -0.024 0.000 2.912 176 D HA -0.022 4.618 4.640 -0.000 0.000 0.170 176 D C 1.792 177.965 176.300 -0.212 0.000 1.484 176 D CA 0.139 54.104 54.000 -0.057 0.000 1.542 176 D CB 0.172 41.033 40.800 0.102 0.000 1.344 176 D HN 0.079 nan 8.370 nan 0.000 0.222 177 V N 0.768 120.612 119.914 -0.118 0.000 2.488 177 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 177 V C 2.070 178.064 176.094 -0.166 0.000 1.046 177 V CA 1.487 63.770 62.300 -0.029 0.000 1.053 177 V CB -0.437 31.435 31.823 0.082 0.000 0.679 177 V HN 0.089 nan 8.190 nan 0.000 0.458 178 Q N -0.062 119.546 119.800 -0.319 0.000 2.046 178 Q HA -0.073 4.266 4.340 -0.000 0.000 0.200 178 Q C 0.068 175.800 176.000 -0.446 0.000 0.975 178 Q CA 2.042 57.659 55.803 -0.309 0.000 0.836 178 Q CB -1.657 27.008 28.738 -0.122 0.000 0.896 178 Q HN 0.472 nan 8.270 nan 0.000 0.428 179 P HA -0.200 nan 4.420 nan 0.000 0.216 179 P C 1.068 178.131 177.300 -0.396 0.000 1.154 179 P CA 1.274 64.045 63.100 -0.548 0.000 0.865 179 P CB -0.013 31.224 31.700 -0.772 0.000 0.789 180 V N -0.534 119.109 119.914 -0.451 0.000 2.453 180 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 180 V C 2.681 178.292 176.094 -0.806 0.000 1.048 180 V CA 1.544 63.545 62.300 -0.498 0.000 1.049 180 V CB -0.941 30.667 31.823 -0.359 0.000 0.672 180 V HN 0.071 nan 8.190 nan 0.000 0.457 181 R N 0.414 120.350 120.500 -0.940 0.000 2.073 181 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 181 R C 2.182 178.281 176.300 -0.336 0.000 1.120 181 R CA 1.439 57.088 56.100 -0.751 0.000 0.967 181 R CB -0.358 29.707 30.300 -0.391 0.000 0.862 181 R HN 0.476 nan 8.270 nan 0.000 0.436 182 A N -0.454 122.216 122.820 -0.250 0.000 2.216 182 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 182 A C 1.615 179.144 177.584 -0.093 0.000 1.160 182 A CA 1.432 53.393 52.037 -0.127 0.000 0.725 182 A CB -0.115 18.842 19.000 -0.073 0.000 0.784 182 A HN 0.366 nan 8.150 nan 0.000 0.472 183 T N -1.610 112.866 114.554 -0.130 0.000 3.056 183 T HA 0.056 4.406 4.350 -0.000 0.000 0.241 183 T C 1.942 176.636 174.700 -0.010 0.000 1.006 183 T CA 0.816 62.904 62.100 -0.020 0.000 1.115 183 T CB 0.019 68.856 68.868 -0.053 0.000 0.939 183 T HN 0.565 nan 8.240 nan 0.000 0.462 184 R N 1.457 121.875 120.500 -0.137 0.000 2.235 184 R HA 0.086 4.426 4.340 -0.000 0.000 0.213 184 R C 1.776 178.042 176.300 -0.056 0.000 1.059 184 R CA 1.330 57.375 56.100 -0.092 0.000 0.997 184 R CB 0.052 30.260 30.300 -0.153 0.000 0.884 184 R HN 0.361 nan 8.270 nan 0.000 0.462 185 E N -0.589 119.559 120.200 -0.087 0.000 2.166 185 E HA 0.079 4.429 4.350 -0.000 0.000 0.192 185 E C 1.823 178.361 176.600 -0.104 0.000 0.967 185 E CA 0.629 56.987 56.400 -0.071 0.000 0.840 185 E CB 0.118 29.779 29.700 -0.064 0.000 0.795 185 E HN 0.422 nan 8.360 nan 0.000 0.470 186 A N 0.529 123.276 122.820 -0.122 0.000 1.972 186 A HA -0.071 4.248 4.320 -0.000 0.000 0.219 186 A C 0.672 177.954 177.584 -0.503 0.000 1.169 186 A CA 1.008 52.897 52.037 -0.248 0.000 0.635 186 A CB -0.081 18.826 19.000 -0.155 0.000 0.810 186 A HN 0.200 nan 8.150 nan 0.000 0.446 187 F N -1.581 118.335 119.950 -0.056 0.000 2.769 187 F HA 0.337 4.864 4.527 -0.000 0.000 0.358 187 F C -2.087 173.683 175.800 -0.050 0.000 1.285 187 F CA -1.611 56.361 58.000 -0.048 0.000 1.199 187 F CB 1.685 40.656 39.000 -0.048 0.000 1.558 187 F HN 0.007 nan 8.300 nan 0.000 0.583 188 P HA -0.137 nan 4.420 nan 0.000 0.220 188 P C 0.502 177.830 177.300 0.047 0.000 1.144 188 P CA 1.523 64.643 63.100 0.034 0.000 0.800 188 P CB 0.315 32.018 31.700 0.005 0.000 0.772 189 D N -2.047 118.396 120.400 0.071 0.000 2.474 189 D HA 0.112 4.751 4.640 -0.000 0.000 0.213 189 D C 0.724 177.041 176.300 0.027 0.000 1.120 189 D CA -0.209 53.818 54.000 0.044 0.000 0.836 189 D CB -0.018 40.807 40.800 0.041 0.000 1.019 189 D HN 0.183 nan 8.370 nan 0.000 0.507 190 I N -0.884 119.704 120.570 0.030 0.000 2.754 190 I HA 0.188 4.357 4.170 -0.000 0.000 0.285 190 I C 0.219 176.305 176.117 -0.052 0.000 1.166 190 I CA -0.553 60.733 61.300 -0.024 0.000 1.417 190 I CB 0.697 38.653 38.000 -0.073 0.000 1.382 190 I HN -0.318 nan 8.210 nan 0.000 0.588 191 R N 4.424 124.881 120.500 -0.071 0.000 2.446 191 R HA 0.305 4.644 4.340 -0.000 0.000 0.314 191 R C -0.822 175.385 176.300 -0.155 0.000 1.003 191 R CA -0.303 55.733 56.100 -0.107 0.000 1.018 191 R CB 0.272 30.510 30.300 -0.105 0.000 0.945 191 R HN 0.518 nan 8.270 nan 0.000 0.419 192 L N 2.588 123.704 121.223 -0.178 0.000 2.408 192 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 192 L C -0.385 176.315 176.870 -0.285 0.000 0.986 192 L CA -0.135 54.583 54.840 -0.203 0.000 0.820 192 L CB 2.352 44.326 42.059 -0.141 0.000 1.303 192 L HN 0.759 nan 8.230 nan 0.000 0.411 193 T N 1.517 115.873 114.554 -0.329 0.000 2.865 193 T HA 0.851 5.200 4.350 -0.000 0.000 0.294 193 T C -0.604 173.973 174.700 -0.205 0.000 1.119 193 T CA -0.252 61.602 62.100 -0.410 0.000 1.007 193 T CB 1.512 69.889 68.868 -0.817 0.000 1.225 193 T HN 0.890 nan 8.240 nan 0.000 0.515 194 V N -1.203 118.650 119.914 -0.100 0.000 3.074 194 V HA 0.839 4.959 4.120 -0.000 0.000 0.314 194 V C -0.714 175.452 176.094 0.120 0.000 1.117 194 V CA -0.739 61.560 62.300 -0.002 0.000 1.014 194 V CB 1.739 33.563 31.823 0.003 0.000 1.057 194 V HN 1.081 nan 8.190 nan 0.000 0.438 195 D N 1.130 121.610 120.400 0.134 0.000 2.489 195 D HA 0.880 5.520 4.640 -0.000 0.000 0.232 195 D C 0.518 176.949 176.300 0.219 0.000 1.230 195 D CA 0.501 54.625 54.000 0.206 0.000 1.101 195 D CB 1.956 42.870 40.800 0.189 0.000 1.198 195 D HN 1.387 nan 8.370 nan 0.000 0.611 196 A N -0.867 122.084 122.820 0.218 0.000 2.431 196 A HA -0.020 4.299 4.320 -0.000 0.000 0.220 196 A C 0.235 177.954 177.584 0.226 0.000 2.883 196 A CA 0.740 52.919 52.037 0.237 0.000 1.564 196 A CB -1.907 17.336 19.000 0.405 0.000 0.160 196 A HN 0.558 nan 8.150 nan 0.000 0.543 197 N N 0.912 119.776 118.700 0.272 0.000 2.701 197 N HA -0.144 4.596 4.740 -0.000 0.000 0.252 197 N C 0.199 175.890 175.510 0.301 0.000 1.002 197 N CA 1.948 55.203 53.050 0.341 0.000 0.758 197 N CB -1.182 37.600 38.487 0.492 0.000 0.937 197 N HN 2.100 nan 8.380 nan 0.000 0.538 198 S N -4.143 111.730 115.700 0.288 0.000 3.727 198 S HA -0.152 4.318 4.470 -0.000 0.000 0.444 198 S C 0.431 175.157 174.600 0.211 0.000 0.867 198 S CA 0.384 58.751 58.200 0.280 0.000 1.324 198 S CB -1.498 61.886 63.200 0.308 0.000 0.890 198 S HN 1.022 nan 8.310 nan 0.000 0.599 199 A N 0.674 123.587 122.820 0.155 0.000 2.585 199 A HA 0.641 4.961 4.320 -0.000 0.000 0.266 199 A C 0.048 177.507 177.584 -0.208 0.000 1.178 199 A CA -0.234 51.786 52.037 -0.028 0.000 0.966 199 A CB 0.447 19.379 19.000 -0.115 0.000 1.170 199 A HN 0.803 nan 8.150 nan 0.000 0.558 200 Y N -0.338 119.998 120.300 0.059 0.000 2.631 200 Y HA 0.658 5.207 4.550 -0.000 0.000 0.328 200 Y C 0.956 176.854 175.900 -0.002 0.000 1.118 200 Y CA 0.023 58.139 58.100 0.028 0.000 1.206 200 Y CB 1.469 39.940 38.460 0.018 0.000 1.337 200 Y HN 0.154 nan 8.280 nan 0.000 0.515 201 T N -2.939 111.722 114.554 0.179 0.000 2.864 201 T HA 0.376 4.726 4.350 -0.000 0.000 0.289 201 T C 0.334 175.061 174.700 0.046 0.000 1.082 201 T CA -0.844 61.296 62.100 0.066 0.000 1.009 201 T CB 0.700 69.593 68.868 0.042 0.000 1.234 201 T HN 0.563 nan 8.240 nan 0.000 0.526 202 L N 0.737 121.958 121.223 -0.003 0.000 2.265 202 L HA 0.036 4.376 4.340 -0.000 0.000 0.215 202 L C 3.075 179.947 176.870 0.003 0.000 1.117 202 L CA 1.351 56.181 54.840 -0.016 0.000 0.782 202 L CB -0.815 41.228 42.059 -0.028 0.000 0.914 202 L HN 0.947 nan 8.230 nan 0.000 0.441 203 A N 0.076 122.909 122.820 0.022 0.000 1.978 203 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 203 A C 1.503 179.111 177.584 0.040 0.000 1.170 203 A CA 1.943 53.997 52.037 0.028 0.000 0.636 203 A CB -0.406 18.615 19.000 0.035 0.000 0.810 203 A HN 0.405 nan 8.150 nan 0.000 0.448 204 D N -0.232 120.207 120.400 0.066 0.000 2.325 204 D HA 0.337 4.977 4.640 -0.000 0.000 0.225 204 D C 1.508 177.805 176.300 -0.006 0.000 1.096 204 D CA 0.679 54.728 54.000 0.082 0.000 0.844 204 D CB -0.093 40.856 40.800 0.247 0.000 0.925 204 D HN 0.410 nan 8.370 nan 0.000 0.513 205 A N 0.568 123.375 122.820 -0.022 0.000 2.125 205 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 205 A C 2.215 179.769 177.584 -0.050 0.000 1.156 205 A CA 1.557 53.562 52.037 -0.053 0.000 0.671 205 A CB -0.606 18.369 19.000 -0.041 0.000 0.794 205 A HN 0.336 nan 8.150 nan 0.000 0.459 206 G N -0.733 108.050 108.800 -0.028 0.000 2.408 206 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.213 206 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.213 206 G C 1.443 176.327 174.900 -0.027 0.000 1.177 206 G CA 0.320 45.406 45.100 -0.025 0.000 0.802 206 G HN 0.433 nan 8.290 nan 0.000 0.533 207 R N -0.239 120.255 120.500 -0.009 0.000 2.397 207 R HA 0.167 4.507 4.340 -0.000 0.000 0.213 207 R C 1.635 177.911 176.300 -0.040 0.000 1.102 207 R CA 0.327 56.430 56.100 0.005 0.000 1.040 207 R CB -0.133 30.201 30.300 0.057 0.000 0.844 207 R HN 0.304 nan 8.270 nan 0.000 0.478 208 L N -1.463 119.710 121.223 -0.084 0.000 2.854 208 L HA 0.195 4.535 4.340 -0.000 0.000 0.249 208 L C 1.804 178.609 176.870 -0.108 0.000 1.091 208 L CA 0.522 55.276 54.840 -0.143 0.000 0.935 208 L CB -0.121 41.802 42.059 -0.227 0.000 1.367 208 L HN 0.070 nan 8.230 nan 0.000 0.524 209 R N 0.346 120.794 120.500 -0.087 0.000 2.120 209 R HA -0.171 4.168 4.340 -0.000 0.000 0.234 209 R C 1.046 177.280 176.300 -0.109 0.000 1.123 209 R CA 1.313 57.363 56.100 -0.083 0.000 0.975 209 R CB 0.091 30.352 30.300 -0.065 0.000 0.866 209 R HN 0.085 nan 8.270 nan 0.000 0.446 210 Q N 0.224 119.952 119.800 -0.119 0.000 2.399 210 Q HA 0.149 4.489 4.340 -0.000 0.000 0.307 210 Q C -0.096 175.739 176.000 -0.274 0.000 0.933 210 Q CA 0.037 55.721 55.803 -0.198 0.000 0.995 210 Q CB 0.492 29.123 28.738 -0.178 0.000 1.191 210 Q HN 0.243 nan 8.270 nan 0.000 0.426 211 L N -0.205 120.912 121.223 -0.177 0.000 2.558 211 L HA 0.073 4.413 4.340 -0.000 0.000 0.225 211 L C 0.890 177.636 176.870 -0.207 0.000 1.128 211 L CA 0.832 55.611 54.840 -0.102 0.000 0.868 211 L CB -0.045 42.017 42.059 0.004 0.000 1.006 211 L HN 0.211 nan 8.230 nan 0.000 0.454 212 D N 0.038 120.297 120.400 -0.235 0.000 2.144 212 D HA -0.189 4.451 4.640 -0.000 0.000 0.200 212 D C 2.040 178.223 176.300 -0.194 0.000 0.978 212 D CA 1.151 55.052 54.000 -0.165 0.000 0.833 212 D CB 0.215 40.938 40.800 -0.128 0.000 0.961 212 D HN 0.536 nan 8.370 nan 0.000 0.470 213 E N -0.367 119.622 120.200 -0.351 0.000 2.204 213 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 213 E C 0.874 177.391 176.600 -0.139 0.000 0.989 213 E CA 0.724 56.960 56.400 -0.274 0.000 0.824 213 E CB -0.542 28.949 29.700 -0.349 0.000 0.756 213 E HN 0.355 nan 8.360 nan 0.000 0.477 214 Y N 1.926 122.200 120.300 -0.043 0.000 2.542 214 Y HA 0.037 4.587 4.550 -0.000 0.000 0.326 214 Y C -0.059 175.810 175.900 -0.052 0.000 1.218 214 Y CA -0.467 57.603 58.100 -0.049 0.000 1.277 214 Y CB -0.952 37.470 38.460 -0.063 0.000 1.064 214 Y HN -0.050 nan 8.280 nan 0.000 0.499 215 D N 0.862 121.299 120.400 0.063 0.000 2.779 215 D HA -0.229 4.411 4.640 -0.000 0.000 0.223 215 D C -0.148 176.152 176.300 -0.000 0.000 1.227 215 D CA 0.677 54.688 54.000 0.020 0.000 0.653 215 D CB -0.802 40.007 40.800 0.014 0.000 0.973 215 D HN 0.364 nan 8.370 nan 0.000 0.402 216 L N 0.069 121.288 121.223 -0.006 0.000 2.456 216 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 216 L C 2.192 178.999 176.870 -0.105 0.000 1.189 216 L CA -0.296 54.498 54.840 -0.078 0.000 0.846 216 L CB 0.467 42.482 42.059 -0.074 0.000 1.111 216 L HN -0.024 nan 8.230 nan 0.000 0.475 217 T N 0.888 115.313 114.554 -0.215 0.000 2.788 217 T HA -0.090 4.259 4.350 -0.000 0.000 0.268 217 T C -0.303 174.380 174.700 -0.029 0.000 1.044 217 T CA 1.480 63.480 62.100 -0.166 0.000 1.139 217 T CB -0.238 68.465 68.868 -0.276 0.000 0.867 217 T HN 0.630 nan 8.240 nan 0.000 0.454 218 Y N -1.997 118.309 120.300 0.009 0.000 2.774 218 Y HA 0.617 5.167 4.550 -0.000 0.000 0.346 218 Y C -1.916 174.011 175.900 0.046 0.000 1.222 218 Y CA -2.338 55.788 58.100 0.042 0.000 1.088 218 Y CB 0.513 39.029 38.460 0.092 0.000 1.354 218 Y HN -0.140 nan 8.280 nan 0.000 0.455 219 I N 1.928 122.678 120.570 0.300 0.000 2.362 219 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 219 I C -0.481 175.830 176.117 0.324 0.000 0.994 219 I CA -0.641 60.799 61.300 0.234 0.000 1.158 219 I CB 1.820 39.885 38.000 0.109 0.000 1.315 219 I HN 0.669 nan 8.210 nan 0.000 0.451 220 E N 5.645 126.065 120.200 0.367 0.000 2.229 220 E HA 0.122 4.471 4.350 -0.000 0.000 0.283 220 E C -0.296 176.468 176.600 0.274 0.000 1.030 220 E CA -0.610 55.992 56.400 0.336 0.000 0.836 220 E CB 0.702 30.660 29.700 0.429 0.000 1.068 220 E HN 0.456 nan 8.360 nan 0.000 0.401 221 Q N 3.750 123.687 119.800 0.229 0.000 2.429 221 Q HA -0.173 4.167 4.340 -0.000 0.000 0.365 221 Q C -2.039 174.185 176.000 0.372 0.000 1.384 221 Q CA 0.587 56.561 55.803 0.285 0.000 1.089 221 Q CB -0.246 28.631 28.738 0.231 0.000 1.264 221 Q HN 0.502 nan 8.270 nan 0.000 0.342 222 P HA -0.124 nan 4.420 nan 0.000 0.217 222 P C 0.331 177.805 177.300 0.290 0.000 1.151 222 P CA 1.157 64.434 63.100 0.296 0.000 0.828 222 P CB 0.260 32.009 31.700 0.080 0.000 0.788 223 L N -1.295 119.986 121.223 0.097 0.000 2.687 223 L HA 0.589 4.928 4.340 -0.000 0.000 0.252 223 L C 0.881 177.830 176.870 0.132 0.000 1.115 223 L CA -1.634 53.164 54.840 -0.071 0.000 0.893 223 L CB -0.502 41.250 42.059 -0.511 0.000 1.670 223 L HN -0.211 nan 8.230 nan 0.000 0.531 224 A N 0.478 123.336 122.820 0.063 0.000 2.587 224 A HA -0.090 4.230 4.320 -0.000 0.000 0.233 224 A C 0.942 178.593 177.584 0.112 0.000 1.049 224 A CA 0.116 52.198 52.037 0.076 0.000 0.754 224 A CB -0.223 18.742 19.000 -0.059 0.000 0.977 224 A HN 0.894 nan 8.150 nan 0.000 0.509 225 W N 2.170 123.501 121.300 0.051 0.000 2.350 225 W HA -0.155 4.505 4.660 -0.000 0.000 0.289 225 W C -0.039 176.465 176.519 -0.025 0.000 1.215 225 W CA 1.395 58.736 57.345 -0.007 0.000 1.236 225 W CB -0.661 28.738 29.460 -0.101 0.000 1.130 225 W HN 0.749 nan 8.180 nan 0.000 0.541 226 D N -0.299 119.579 120.400 -0.870 0.000 2.368 226 D HA 0.014 4.654 4.640 -0.000 0.000 0.218 226 D C -0.063 176.005 176.300 -0.388 0.000 1.112 226 D CA -0.138 53.363 54.000 -0.832 0.000 0.834 226 D CB -0.659 39.258 40.800 -1.473 0.000 0.953 226 D HN 0.105 nan 8.370 nan 0.000 0.505 227 D N 0.608 120.895 120.400 -0.188 0.000 2.175 227 D HA 0.207 4.847 4.640 -0.000 0.000 0.248 227 D C 0.512 176.847 176.300 0.060 0.000 1.047 227 D CA -0.510 53.466 54.000 -0.040 0.000 0.883 227 D CB 1.950 42.768 40.800 0.029 0.000 1.180 227 D HN 0.013 nan 8.370 nan 0.000 0.438 228 L N 2.593 123.831 121.223 0.024 0.000 2.694 228 L HA 0.043 4.382 4.340 -0.000 0.000 0.228 228 L C 2.267 179.173 176.870 0.059 0.000 1.048 228 L CA -0.085 54.765 54.840 0.017 0.000 0.887 228 L CB 0.108 42.134 42.059 -0.056 0.000 1.265 228 L HN 0.287 nan 8.230 nan 0.000 0.492 229 V N 0.400 120.328 119.914 0.023 0.000 2.307 229 V HA -0.254 3.865 4.120 -0.000 0.000 0.245 229 V C 1.935 178.036 176.094 0.012 0.000 1.045 229 V CA 2.054 64.359 62.300 0.008 0.000 1.024 229 V CB -0.363 31.452 31.823 -0.014 0.000 0.651 229 V HN 0.379 nan 8.190 nan 0.000 0.449 230 D N -1.074 119.324 120.400 -0.002 0.000 2.144 230 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 230 D C 2.059 178.320 176.300 -0.065 0.000 0.978 230 D CA 1.228 55.197 54.000 -0.052 0.000 0.833 230 D CB -0.308 40.430 40.800 -0.103 0.000 0.961 230 D HN 0.577 nan 8.370 nan 0.000 0.470 231 H N 0.435 119.491 119.070 -0.023 0.000 2.353 231 H HA 0.003 4.559 4.556 -0.000 0.000 0.300 231 H C 2.054 177.369 175.328 -0.022 0.000 1.090 231 H CA 1.622 57.659 56.048 -0.018 0.000 1.327 231 H CB -0.101 29.648 29.762 -0.022 0.000 1.383 231 H HN 0.111 nan 8.280 nan 0.000 0.508 232 A N 0.741 123.617 122.820 0.094 0.000 1.908 232 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 232 A C 2.242 179.837 177.584 0.018 0.000 1.181 232 A CA 2.008 54.067 52.037 0.037 0.000 0.627 232 A CB -0.412 18.597 19.000 0.016 0.000 0.818 232 A HN 0.445 nan 8.150 nan 0.000 0.445 233 E N -0.146 120.057 120.200 0.006 0.000 2.051 233 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 233 E C 1.803 178.397 176.600 -0.011 0.000 0.991 233 E CA 1.447 57.843 56.400 -0.007 0.000 0.799 233 E CB -0.534 29.156 29.700 -0.016 0.000 0.748 233 E HN 0.391 nan 8.360 nan 0.000 0.449 234 L N 0.553 121.764 121.223 -0.020 0.000 2.042 234 L HA -0.081 4.258 4.340 -0.000 0.000 0.210 234 L C 2.267 179.133 176.870 -0.007 0.000 1.076 234 L CA 2.434 57.258 54.840 -0.027 0.000 0.749 234 L CB -1.156 40.869 42.059 -0.057 0.000 0.893 234 L HN 0.209 nan 8.230 nan 0.000 0.432 235 A N -0.560 122.270 122.820 0.016 0.000 1.986 235 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 235 A C 2.384 179.973 177.584 0.008 0.000 1.171 235 A CA 1.898 53.947 52.037 0.021 0.000 0.640 235 A CB -0.620 18.398 19.000 0.030 0.000 0.811 235 A HN 0.560 nan 8.150 nan 0.000 0.451 236 R N -1.082 119.420 120.500 0.003 0.000 2.276 236 R HA 0.052 4.392 4.340 -0.000 0.000 0.203 236 R C 1.673 177.969 176.300 -0.007 0.000 1.017 236 R CA 0.753 56.853 56.100 -0.001 0.000 1.010 236 R CB -0.034 30.265 30.300 -0.001 0.000 0.900 236 R HN 0.469 nan 8.270 nan 0.000 0.469 237 R N 0.361 120.854 120.500 -0.012 0.000 2.308 237 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 237 R C 0.833 177.119 176.300 -0.024 0.000 0.898 237 R CA 0.274 56.363 56.100 -0.019 0.000 1.046 237 R CB 0.480 30.767 30.300 -0.022 0.000 1.026 237 R HN 0.197 nan 8.270 nan 0.000 0.512 238 I N -3.223 117.334 120.570 -0.021 0.000 2.934 238 I HA 0.388 4.558 4.170 -0.000 0.000 0.306 238 I C 0.449 176.556 176.117 -0.016 0.000 1.110 238 I CA -1.141 60.143 61.300 -0.027 0.000 1.019 238 I CB 2.410 40.389 38.000 -0.036 0.000 1.227 238 I HN -0.238 nan 8.210 nan 0.000 0.434 239 R N 0.819 121.306 120.500 -0.022 0.000 2.237 239 R HA 0.173 4.512 4.340 -0.000 0.000 0.195 239 R C 0.074 176.373 176.300 -0.002 0.000 0.956 239 R CA 0.193 56.285 56.100 -0.013 0.000 1.029 239 R CB 0.008 30.295 30.300 -0.021 0.000 0.972 239 R HN 0.674 nan 8.270 nan 0.000 0.493 240 T N 4.232 118.783 114.554 -0.005 0.000 2.853 240 T HA 0.126 4.476 4.350 -0.000 0.000 0.298 240 T C -2.352 172.377 174.700 0.048 0.000 0.978 240 T CA -1.004 61.107 62.100 0.017 0.000 1.152 240 T CB 1.043 69.916 68.868 0.009 0.000 0.914 240 T HN -0.056 nan 8.240 nan 0.000 0.539 241 P HA 0.125 nan 4.420 nan 0.000 0.266 241 P C -0.429 176.955 177.300 0.141 0.000 1.195 241 P CA -0.103 63.059 63.100 0.102 0.000 0.768 241 P CB 0.413 32.191 31.700 0.131 0.000 0.838 242 L N 2.515 123.804 121.223 0.108 0.000 2.325 242 L HA 0.459 4.799 4.340 -0.000 0.000 0.279 242 L C 0.296 177.214 176.870 0.081 0.000 1.054 242 L CA -0.636 54.279 54.840 0.123 0.000 0.804 242 L CB 1.388 43.518 42.059 0.119 0.000 1.200 242 L HN 0.431 nan 8.230 nan 0.000 0.436 243 C N 4.770 124.121 119.300 0.084 0.000 2.345 243 C HA 0.607 5.066 4.460 -0.000 0.000 0.323 243 C C -0.099 174.855 174.990 -0.061 0.000 1.276 243 C CA -0.696 58.295 59.018 -0.046 0.000 1.543 243 C CB 0.041 27.676 27.740 -0.175 0.000 2.211 243 C HN 0.684 nan 8.230 nan 0.000 0.493 244 L N 5.682 126.813 121.223 -0.153 0.000 2.325 244 L HA 0.458 4.798 4.340 -0.000 0.000 0.279 244 L C 0.525 177.298 176.870 -0.161 0.000 1.054 244 L CA 0.038 54.766 54.840 -0.186 0.000 0.804 244 L CB 1.258 43.170 42.059 -0.244 0.000 1.200 244 L HN 0.771 nan 8.230 nan 0.000 0.436 245 D N 0.610 120.960 120.400 -0.084 0.000 3.040 245 D HA -0.020 4.620 4.640 -0.000 0.000 0.221 245 D C 1.376 177.684 176.300 0.015 0.000 1.515 245 D CA 0.246 54.227 54.000 -0.030 0.000 1.379 245 D CB 0.225 41.081 40.800 0.093 0.000 0.992 245 D HN 0.503 nan 8.370 nan 0.000 0.234 246 E N 0.183 120.417 120.200 0.058 0.000 2.219 246 E HA -0.071 4.278 4.350 -0.000 0.000 0.198 246 E C 1.952 178.593 176.600 0.067 0.000 0.998 246 E CA 1.190 57.608 56.400 0.029 0.000 0.818 246 E CB -0.080 29.625 29.700 0.009 0.000 0.741 246 E HN 0.065 nan 8.360 nan 0.000 0.477 247 S N -0.406 115.290 115.700 -0.007 0.000 2.489 247 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 247 S C 0.433 174.991 174.600 -0.070 0.000 0.995 247 S CA 0.241 58.401 58.200 -0.067 0.000 0.934 247 S CB 0.449 63.550 63.200 -0.166 0.000 0.771 247 S HN -0.041 nan 8.310 nan 0.000 0.522 248 V N 1.858 121.736 119.914 -0.061 0.000 2.284 248 V HA 0.543 4.663 4.120 -0.000 0.000 0.274 248 V C 0.369 176.446 176.094 -0.029 0.000 1.023 248 V CA -0.409 61.852 62.300 -0.066 0.000 0.808 248 V CB 0.680 32.438 31.823 -0.107 0.000 1.035 248 V HN 0.262 nan 8.190 nan 0.000 0.445 249 A N 3.685 126.500 122.820 -0.008 0.000 2.465 249 A HA 0.677 4.997 4.320 -0.000 0.000 0.255 249 A C 0.679 178.269 177.584 0.010 0.000 1.274 249 A CA 0.500 52.546 52.037 0.016 0.000 0.920 249 A CB 0.177 19.203 19.000 0.044 0.000 1.033 249 A HN 0.927 nan 8.150 nan 0.000 0.516 250 S N -3.404 112.294 115.700 -0.004 0.000 2.615 250 S HA 0.604 5.073 4.470 -0.000 0.000 0.268 250 S C 0.768 175.364 174.600 -0.006 0.000 1.146 250 S CA 0.033 58.234 58.200 0.002 0.000 0.818 250 S CB 0.821 64.027 63.200 0.009 0.000 1.111 250 S HN 1.017 nan 8.310 nan 0.000 0.465 251 A N 1.630 124.455 122.820 0.009 0.000 1.933 251 A HA 0.017 4.336 4.320 -0.000 0.000 0.218 251 A C 2.367 179.957 177.584 0.010 0.000 1.175 251 A CA 2.362 54.407 52.037 0.014 0.000 0.628 251 A CB -1.546 17.475 19.000 0.035 0.000 0.814 251 A HN 1.706 nan 8.150 nan 0.000 0.444 252 S N 0.107 115.813 115.700 0.011 0.000 2.402 252 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 252 S C 1.392 175.984 174.600 -0.013 0.000 1.021 252 S CA 1.466 59.671 58.200 0.009 0.000 0.974 252 S CB -0.501 62.706 63.200 0.011 0.000 0.800 252 S HN 0.479 nan 8.310 nan 0.000 0.484 253 D N 2.493 122.877 120.400 -0.026 0.000 2.117 253 D HA 0.045 4.685 4.640 -0.000 0.000 0.197 253 D C 2.312 178.562 176.300 -0.083 0.000 0.987 253 D CA 1.531 55.501 54.000 -0.051 0.000 0.829 253 D CB -0.764 40.007 40.800 -0.049 0.000 0.961 253 D HN 0.568 nan 8.370 nan 0.000 0.460 254 A N 1.069 123.839 122.820 -0.082 0.000 1.902 254 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 254 A C 2.172 179.646 177.584 -0.184 0.000 1.181 254 A CA 1.407 53.366 52.037 -0.131 0.000 0.623 254 A CB -0.413 18.527 19.000 -0.100 0.000 0.818 254 A HN 0.047 nan 8.150 nan 0.000 0.443 255 R N 0.485 120.934 120.500 -0.084 0.000 2.083 255 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 255 R C 1.893 178.126 176.300 -0.112 0.000 1.137 255 R CA 2.214 58.296 56.100 -0.030 0.000 0.951 255 R CB -0.474 29.892 30.300 0.109 0.000 0.851 255 R HN 0.596 nan 8.270 nan 0.000 0.434 256 K N -0.059 120.295 120.400 -0.076 0.000 2.057 256 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 256 K C 2.198 178.721 176.600 -0.127 0.000 1.049 256 K CA 1.415 57.659 56.287 -0.071 0.000 0.931 256 K CB -0.197 32.274 32.500 -0.048 0.000 0.714 256 K HN 0.238 nan 8.250 nan 0.000 0.440 257 A N 1.404 124.123 122.820 -0.169 0.000 1.902 257 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 257 A C 2.125 179.554 177.584 -0.259 0.000 1.181 257 A CA 1.297 53.221 52.037 -0.188 0.000 0.623 257 A CB -0.580 18.303 19.000 -0.195 0.000 0.818 257 A HN 0.147 nan 8.150 nan 0.000 0.443 258 L N -1.065 119.886 121.223 -0.453 0.000 2.131 258 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 258 L C 3.045 179.603 176.870 -0.520 0.000 1.087 258 L CA 0.847 55.270 54.840 -0.695 0.000 0.767 258 L CB -0.508 40.679 42.059 -1.454 0.000 0.917 258 L HN 0.404 nan 8.230 nan 0.000 0.441 259 A N 0.099 122.701 122.820 -0.364 0.000 1.933 259 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 259 A C 2.239 179.827 177.584 0.006 0.000 1.175 259 A CA 1.342 53.406 52.037 0.044 0.000 0.628 259 A CB -0.604 18.482 19.000 0.143 0.000 0.814 259 A HN 0.362 nan 8.150 nan 0.000 0.444 260 L N -1.461 119.730 121.223 -0.052 0.000 2.217 260 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 260 L C 1.712 178.566 176.870 -0.027 0.000 1.107 260 L CA 0.731 55.553 54.840 -0.031 0.000 0.783 260 L CB -0.302 41.733 42.059 -0.041 0.000 0.919 260 L HN 0.613 nan 8.230 nan 0.000 0.442 261 G N -0.722 108.046 108.800 -0.054 0.000 2.171 261 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.238 261 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.238 261 G C 0.852 175.734 174.900 -0.030 0.000 1.039 261 G CA 0.330 45.407 45.100 -0.037 0.000 0.759 261 G HN 0.426 nan 8.290 nan 0.000 0.501 262 A N -0.995 121.793 122.820 -0.053 0.000 2.066 262 A HA 0.596 4.916 4.320 -0.000 0.000 0.218 262 A C 1.655 179.219 177.584 -0.033 0.000 1.157 262 A CA 1.853 53.877 52.037 -0.022 0.000 0.670 262 A CB 0.143 19.107 19.000 -0.060 0.000 0.804 262 A HN 2.218 nan 8.150 nan 0.000 0.453 263 G N -4.058 104.698 108.800 -0.073 0.000 2.576 263 G HA2 0.454 4.413 3.960 -0.000 0.000 0.290 263 G HA3 0.454 4.413 3.960 -0.000 0.000 0.290 263 G C 0.181 175.038 174.900 -0.071 0.000 1.442 263 G CA 0.232 45.295 45.100 -0.061 0.000 0.792 263 G HN 0.638 nan 8.290 nan 0.000 0.491 264 G N -1.443 107.335 108.800 -0.037 0.000 3.228 264 G HA2 0.471 4.431 3.960 -0.000 0.000 0.245 264 G HA3 0.471 4.431 3.960 -0.000 0.000 0.245 264 G C -0.254 174.626 174.900 -0.034 0.000 1.051 264 G CA 0.411 45.496 45.100 -0.025 0.000 0.809 264 G HN 0.974 nan 8.290 nan 0.000 0.531 265 V N 1.052 120.928 119.914 -0.063 0.000 2.841 265 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 265 V C -0.990 174.993 176.094 -0.185 0.000 1.090 265 V CA -0.809 61.435 62.300 -0.094 0.000 0.930 265 V CB 2.330 34.099 31.823 -0.090 0.000 1.014 265 V HN 0.089 nan 8.190 nan 0.000 0.425 266 I N 3.178 123.600 120.570 -0.246 0.000 2.436 266 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 266 I C -0.236 175.519 176.117 -0.603 0.000 1.010 266 I CA -0.535 60.559 61.300 -0.343 0.000 1.098 266 I CB 1.904 39.736 38.000 -0.281 0.000 1.266 266 I HN 0.611 nan 8.210 nan 0.000 0.434 267 N N 7.183 125.430 118.700 -0.755 0.000 2.399 267 N HA 0.082 4.822 4.740 -0.000 0.000 0.259 267 N C -1.120 174.028 175.510 -0.602 0.000 1.160 267 N CA -0.305 52.044 53.050 -1.168 0.000 0.946 267 N CB 0.705 38.570 38.487 -1.036 0.000 1.156 267 N HN 0.386 nan 8.380 nan 0.000 0.489 268 L N 4.022 124.956 121.223 -0.481 0.000 2.261 268 L HA 0.373 4.712 4.340 -0.000 0.000 0.289 268 L C -0.288 176.534 176.870 -0.080 0.000 1.059 268 L CA -0.052 54.667 54.840 -0.202 0.000 0.816 268 L CB 0.136 42.114 42.059 -0.134 0.000 1.191 268 L HN 0.363 nan 8.230 nan 0.000 0.431 269 K N 4.474 124.837 120.400 -0.062 0.000 2.316 269 K HA 0.187 4.507 4.320 -0.000 0.000 0.267 269 K C 0.861 177.451 176.600 -0.016 0.000 1.025 269 K CA -0.357 55.916 56.287 -0.023 0.000 0.896 269 K CB 2.022 34.514 32.500 -0.014 0.000 1.124 269 K HN 0.575 nan 8.250 nan 0.000 0.451 270 V N 3.392 123.291 119.914 -0.025 0.000 2.278 270 V HA -0.337 3.782 4.120 -0.000 0.000 0.251 270 V C 1.817 177.845 176.094 -0.110 0.000 1.062 270 V CA 2.853 65.099 62.300 -0.090 0.000 1.038 270 V CB -0.173 31.535 31.823 -0.192 0.000 0.646 270 V HN 0.921 nan 8.190 nan 0.000 0.447 271 A N -0.392 122.372 122.820 -0.093 0.000 1.970 271 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 271 A C 2.391 179.965 177.584 -0.016 0.000 1.170 271 A CA 1.381 53.374 52.037 -0.073 0.000 0.645 271 A CB -0.650 18.307 19.000 -0.073 0.000 0.816 271 A HN 0.586 nan 8.150 nan 0.000 0.447 272 R N 0.333 120.840 120.500 0.012 0.000 2.127 272 R HA -0.123 4.216 4.340 -0.000 0.000 0.238 272 R C 1.662 177.985 176.300 0.037 0.000 1.134 272 R CA 1.999 58.134 56.100 0.059 0.000 0.975 272 R CB -0.288 30.077 30.300 0.109 0.000 0.865 272 R HN 0.525 nan 8.270 nan 0.000 0.447 273 V N -3.402 116.519 119.914 0.011 0.000 3.649 273 V HA 0.391 4.511 4.120 -0.000 0.000 0.275 273 V C 0.874 176.973 176.094 0.008 0.000 1.281 273 V CA 0.669 62.975 62.300 0.010 0.000 1.143 273 V CB 0.357 32.181 31.823 0.001 0.000 0.892 273 V HN 0.434 nan 8.190 nan 0.000 0.441 274 G N -1.495 107.304 108.800 -0.002 0.000 2.148 274 G HA2 0.318 4.278 3.960 -0.000 0.000 0.203 274 G HA3 0.318 4.278 3.960 -0.000 0.000 0.203 274 G C 0.952 175.842 174.900 -0.016 0.000 0.993 274 G CA -0.036 45.061 45.100 -0.004 0.000 0.661 274 G HN 2.285 nan 8.290 nan 0.000 0.518 275 G N -1.794 106.973 108.800 -0.055 0.000 2.343 275 G HA2 0.211 4.171 3.960 -0.000 0.000 0.562 275 G HA3 0.211 4.171 3.960 -0.000 0.000 0.562 275 G C 0.240 175.073 174.900 -0.111 0.000 1.269 275 G CA 0.427 45.468 45.100 -0.099 0.000 1.011 275 G HN 0.549 nan 8.290 nan 0.000 0.498 276 H N -0.111 118.960 119.070 0.002 0.000 2.326 276 H HA 0.039 4.595 4.556 -0.000 0.000 0.301 276 H C 3.100 178.355 175.328 -0.122 0.000 1.081 276 H CA 2.405 58.340 56.048 -0.190 0.000 1.334 276 H CB -0.481 28.884 29.762 -0.662 0.000 1.385 276 H HN 0.729 nan 8.280 nan 0.000 0.504 277 A N 1.109 124.053 122.820 0.207 0.000 1.877 277 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 277 A C 2.367 180.033 177.584 0.137 0.000 1.186 277 A CA 1.895 54.075 52.037 0.239 0.000 0.620 277 A CB -0.355 18.897 19.000 0.420 0.000 0.822 277 A HN 0.343 nan 8.150 nan 0.000 0.443 278 E N 0.180 120.448 120.200 0.114 0.000 2.153 278 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 278 E C 2.147 178.783 176.600 0.059 0.000 0.988 278 E CA 1.438 57.881 56.400 0.072 0.000 0.811 278 E CB -0.249 29.480 29.700 0.050 0.000 0.746 278 E HN 0.499 nan 8.360 nan 0.000 0.466 279 S N -0.114 115.617 115.700 0.052 0.000 2.368 279 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 279 S C 1.867 176.533 174.600 0.109 0.000 1.029 279 S CA 0.984 59.227 58.200 0.071 0.000 0.988 279 S CB -0.256 62.986 63.200 0.070 0.000 0.838 279 S HN 0.259 nan 8.310 nan 0.000 0.462 280 R N 1.042 121.588 120.500 0.076 0.000 2.091 280 R HA -0.080 4.259 4.340 -0.000 0.000 0.238 280 R C 2.408 178.783 176.300 0.125 0.000 1.136 280 R CA 1.335 57.472 56.100 0.062 0.000 0.959 280 R CB -0.120 30.187 30.300 0.012 0.000 0.856 280 R HN 0.352 nan 8.270 nan 0.000 0.437 281 R N -0.489 120.072 120.500 0.102 0.000 2.066 281 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 281 R C 2.343 178.695 176.300 0.086 0.000 1.131 281 R CA 1.453 57.610 56.100 0.095 0.000 0.955 281 R CB -0.427 29.918 30.300 0.076 0.000 0.851 281 R HN 0.066 nan 8.270 nan 0.000 0.432 282 V N 1.197 121.152 119.914 0.067 0.000 2.287 282 V HA -0.318 3.801 4.120 -0.000 0.000 0.248 282 V C 2.531 178.636 176.094 0.019 0.000 1.053 282 V CA 2.145 64.460 62.300 0.026 0.000 1.027 282 V CB -0.887 30.933 31.823 -0.005 0.000 0.646 282 V HN 0.479 nan 8.190 nan 0.000 0.447 283 H N 0.549 119.583 119.070 -0.060 0.000 2.319 283 H HA -0.200 4.356 4.556 -0.000 0.000 0.297 283 H C 1.998 177.299 175.328 -0.046 0.000 1.097 283 H CA 2.327 58.311 56.048 -0.107 0.000 1.285 283 H CB -0.176 29.558 29.762 -0.046 0.000 1.368 283 H HN 0.434 nan 8.280 nan 0.000 0.495 284 D N 0.198 120.698 120.400 0.165 0.000 2.149 284 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 284 D C 2.610 178.937 176.300 0.044 0.000 0.972 284 D CA 0.775 54.838 54.000 0.106 0.000 0.835 284 D CB -0.240 40.654 40.800 0.158 0.000 0.966 284 D HN 0.239 nan 8.370 nan 0.000 0.476 285 V N 1.633 121.586 119.914 0.064 0.000 2.295 285 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 285 V C 2.569 178.760 176.094 0.162 0.000 1.049 285 V CA 1.863 64.233 62.300 0.117 0.000 1.024 285 V CB -0.824 31.066 31.823 0.112 0.000 0.648 285 V HN 0.180 nan 8.190 nan 0.000 0.447 286 A N -0.878 121.956 122.820 0.023 0.000 1.883 286 A HA -0.351 3.969 4.320 -0.000 0.000 0.217 286 A C 2.240 179.827 177.584 0.005 0.000 1.186 286 A CA 2.350 54.374 52.037 -0.021 0.000 0.624 286 A CB -0.664 18.243 19.000 -0.156 0.000 0.822 286 A HN 0.600 nan 8.150 nan 0.000 0.444 287 Q N 0.190 119.933 119.800 -0.095 0.000 2.112 287 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 287 Q C 2.230 178.226 176.000 -0.007 0.000 0.987 287 Q CA 2.464 58.214 55.803 -0.089 0.000 0.858 287 Q CB -0.234 28.415 28.738 -0.150 0.000 0.905 287 Q HN 0.826 nan 8.270 nan 0.000 0.420 288 S N -1.125 114.585 115.700 0.016 0.000 2.442 288 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 288 S C 1.317 175.858 174.600 -0.099 0.000 1.007 288 S CA 0.733 58.908 58.200 -0.040 0.000 0.965 288 S CB -0.287 62.871 63.200 -0.069 0.000 0.773 288 S HN 0.420 nan 8.310 nan 0.000 0.504 289 F N 1.687 121.611 119.950 -0.043 0.000 2.727 289 F HA 0.394 4.921 4.527 -0.001 0.000 0.302 289 F C 1.872 177.651 175.800 -0.035 0.000 1.097 289 F CA 0.207 58.185 58.000 -0.037 0.000 1.330 289 F CB 0.222 39.197 39.000 -0.043 0.000 1.084 289 F HN 0.392 nan 8.300 nan 0.000 0.578 290 G N 0.974 109.840 108.800 0.109 0.000 2.147 290 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.244 290 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.244 290 G C 0.091 175.019 174.900 0.046 0.000 1.005 290 G CA 0.036 45.169 45.100 0.055 0.000 0.713 290 G HN 0.620 nan 8.290 nan 0.000 0.515 291 A N 0.779 123.623 122.820 0.040 0.000 2.276 291 A HA 0.854 5.174 4.320 -0.000 0.000 0.316 291 A C -1.485 176.063 177.584 -0.061 0.000 1.229 291 A CA -1.328 50.703 52.037 -0.010 0.000 0.851 291 A CB 1.569 20.543 19.000 -0.043 0.000 1.165 291 A HN 0.205 nan 8.150 nan 0.000 0.513 292 P HA 0.446 nan 4.420 nan 0.000 0.278 292 P C -0.266 176.956 177.300 -0.132 0.000 1.258 292 P CA -0.221 62.837 63.100 -0.070 0.000 0.811 292 P CB 1.290 33.003 31.700 0.022 0.000 1.063 293 V N -2.289 117.485 119.914 -0.233 0.000 3.019 293 V HA 0.843 4.963 4.120 -0.000 0.000 0.317 293 V C -0.779 175.245 176.094 -0.116 0.000 1.094 293 V CA -0.862 61.235 62.300 -0.337 0.000 1.000 293 V CB 2.146 33.578 31.823 -0.651 0.000 1.060 293 V HN 0.821 nan 8.190 nan 0.000 0.443 294 W N -0.215 120.996 121.300 -0.147 0.000 3.118 294 W HA 0.642 5.302 4.660 -0.000 0.000 0.328 294 W C -1.409 175.261 176.519 0.252 0.000 1.239 294 W CA -1.293 56.131 57.345 0.131 0.000 1.176 294 W CB 1.155 30.683 29.460 0.114 0.000 1.433 294 W HN 0.845 nan 8.180 nan 0.000 0.562 295 C N 3.149 122.857 119.300 0.680 0.000 2.373 295 C HA 0.622 5.082 4.460 -0.000 0.000 0.354 295 C C 1.244 176.439 174.990 0.342 0.000 1.249 295 C CA 0.635 59.920 59.018 0.446 0.000 1.784 295 C CB -0.953 26.977 27.740 0.317 0.000 2.408 295 C HN 0.781 nan 8.230 nan 0.000 0.542 296 G N 4.095 112.920 108.800 0.040 0.000 2.599 296 G HA2 0.563 4.523 3.960 -0.000 0.000 0.264 296 G HA3 0.563 4.523 3.960 -0.000 0.000 0.264 296 G C 0.060 175.039 174.900 0.132 0.000 1.200 296 G CA 0.155 45.297 45.100 0.068 0.000 0.896 296 G HN 1.171 nan 8.290 nan 0.000 0.536 297 G N -1.077 107.809 108.800 0.143 0.000 2.519 297 G HA2 0.508 4.468 3.960 -0.000 0.000 0.307 297 G HA3 0.508 4.468 3.960 -0.000 0.000 0.307 297 G C -0.232 174.681 174.900 0.021 0.000 1.266 297 G CA -0.631 44.517 45.100 0.079 0.000 0.970 297 G HN 0.389 nan 8.290 nan 0.000 0.481 298 M N 2.308 121.891 119.600 -0.029 0.000 3.181 298 M HA 0.259 4.739 4.480 -0.000 0.000 0.422 298 M C 0.379 176.663 176.300 -0.027 0.000 1.481 298 M CA -0.156 55.112 55.300 -0.052 0.000 0.783 298 M CB -0.156 32.384 32.600 -0.101 0.000 1.437 298 M HN 0.583 nan 8.290 nan 0.000 0.505 299 L N 0.715 121.892 121.223 -0.076 0.000 3.660 299 L HA -0.268 4.072 4.340 -0.000 0.000 0.440 299 L C -0.262 176.646 176.870 0.064 0.000 1.262 299 L CA 0.596 55.364 54.840 -0.120 0.000 0.837 299 L CB -1.784 40.276 42.059 0.001 0.000 1.689 299 L HN 0.396 nan 8.230 nan 0.000 0.890 300 E N 0.173 120.363 120.200 -0.018 0.000 2.373 300 E HA 0.409 4.759 4.350 -0.000 0.000 0.263 300 E C 0.734 177.458 176.600 0.207 0.000 1.073 300 E CA 0.309 56.754 56.400 0.075 0.000 0.894 300 E CB 0.869 30.580 29.700 0.018 0.000 1.008 300 E HN 0.387 nan 8.360 nan 0.000 0.420 301 S N 0.653 116.378 115.700 0.041 0.000 2.617 301 S HA 0.159 4.629 4.470 -0.000 0.000 0.255 301 S C 1.438 176.070 174.600 0.053 0.000 1.318 301 S CA -0.263 57.886 58.200 -0.086 0.000 0.978 301 S CB 0.788 63.831 63.200 -0.262 0.000 0.961 301 S HN 0.624 nan 8.310 nan 0.000 0.582 302 G N -0.114 108.713 108.800 0.044 0.000 2.470 302 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.220 302 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.220 302 G C 1.188 176.134 174.900 0.078 0.000 1.121 302 G CA 0.525 45.674 45.100 0.082 0.000 0.766 302 G HN 0.570 nan 8.290 nan 0.000 0.553 303 I N 1.809 122.420 120.570 0.068 0.000 2.090 303 I HA -0.073 4.097 4.170 -0.000 0.000 0.236 303 I C 3.065 179.311 176.117 0.216 0.000 1.064 303 I CA 1.586 62.958 61.300 0.121 0.000 1.324 303 I CB -1.570 36.485 38.000 0.091 0.000 1.044 303 I HN 0.219 nan 8.210 nan 0.000 0.399 304 G N 0.243 109.126 108.800 0.139 0.000 2.442 304 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 304 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 304 G C 1.934 176.913 174.900 0.131 0.000 1.141 304 G CA 0.831 46.004 45.100 0.122 0.000 0.763 304 G HN 0.312 nan 8.290 nan 0.000 0.554 305 R N 0.380 120.940 120.500 0.100 0.000 2.081 305 R HA 0.053 4.392 4.340 -0.000 0.000 0.235 305 R C 2.892 179.253 176.300 0.101 0.000 1.131 305 R CA 1.404 57.553 56.100 0.082 0.000 0.960 305 R CB -0.337 30.006 30.300 0.071 0.000 0.856 305 R HN 0.288 nan 8.270 nan 0.000 0.436 306 A N 0.262 123.150 122.820 0.113 0.000 1.933 306 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 306 A C 1.887 179.563 177.584 0.154 0.000 1.175 306 A CA 1.357 53.462 52.037 0.114 0.000 0.628 306 A CB -0.784 18.259 19.000 0.071 0.000 0.814 306 A HN 0.431 nan 8.150 nan 0.000 0.444 307 H N 0.080 119.226 119.070 0.127 0.000 2.321 307 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 307 H C 1.982 177.414 175.328 0.173 0.000 1.087 307 H CA 1.778 57.930 56.048 0.174 0.000 1.319 307 H CB -0.132 29.734 29.762 0.174 0.000 1.379 307 H HN 0.441 nan 8.280 nan 0.000 0.501 308 N N 0.879 119.706 118.700 0.211 0.000 2.061 308 N HA -0.135 4.605 4.740 -0.000 0.000 0.193 308 N C 2.218 177.725 175.510 -0.005 0.000 1.030 308 N CA 0.947 54.049 53.050 0.086 0.000 0.856 308 N CB -0.579 37.948 38.487 0.066 0.000 1.023 308 N HN 0.353 nan 8.380 nan 0.000 0.424 309 I N 0.538 121.111 120.570 0.005 0.000 2.163 309 I HA -0.281 3.888 4.170 -0.000 0.000 0.243 309 I C 2.216 178.220 176.117 -0.188 0.000 1.085 309 I CA 1.165 62.407 61.300 -0.095 0.000 1.347 309 I CB -0.368 37.573 38.000 -0.098 0.000 1.044 309 I HN 0.286 nan 8.210 nan 0.000 0.408 310 H N 0.069 119.059 119.070 -0.134 0.000 2.321 310 H HA -0.172 4.384 4.556 -0.000 0.000 0.300 310 H C 2.195 177.381 175.328 -0.238 0.000 1.087 310 H CA 1.703 57.640 56.048 -0.185 0.000 1.319 310 H CB -0.206 29.424 29.762 -0.219 0.000 1.379 310 H HN 0.216 nan 8.280 nan 0.000 0.501 311 L N 0.964 122.140 121.223 -0.078 0.000 2.079 311 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 311 L C 2.068 178.571 176.870 -0.611 0.000 1.081 311 L CA 1.413 56.138 54.840 -0.192 0.000 0.752 311 L CB -0.488 41.575 42.059 0.006 0.000 0.896 311 L HN -0.035 nan 8.230 nan 0.000 0.433 312 S N -1.291 113.990 115.700 -0.699 0.000 2.603 312 S HA -0.085 4.384 4.470 -0.000 0.000 0.229 312 S C 1.686 175.978 174.600 -0.513 0.000 0.972 312 S CA 0.967 58.546 58.200 -1.034 0.000 0.935 312 S CB -0.663 62.217 63.200 -0.532 0.000 0.769 312 S HN 0.781 nan 8.310 nan 0.000 0.536 313 T N -0.214 114.136 114.554 -0.340 0.000 3.085 313 T HA 0.144 4.494 4.350 -0.000 0.000 0.263 313 T C 0.571 175.184 174.700 -0.145 0.000 1.127 313 T CA 0.057 62.036 62.100 -0.201 0.000 1.103 313 T CB -0.364 68.394 68.868 -0.183 0.000 0.921 313 T HN 0.011 nan 8.240 nan 0.000 0.510 314 L N 3.029 124.186 121.223 -0.111 0.000 2.467 314 L HA 0.247 4.587 4.340 -0.000 0.000 0.270 314 L C 1.944 178.972 176.870 0.263 0.000 1.205 314 L CA 0.348 55.184 54.840 -0.006 0.000 0.828 314 L CB 0.684 42.597 42.059 -0.244 0.000 1.101 314 L HN 0.364 nan 8.230 nan 0.000 0.479 315 S N 0.439 116.293 115.700 0.257 0.000 2.428 315 S HA -0.119 4.351 4.470 -0.000 0.000 0.230 315 S C 1.282 176.041 174.600 0.266 0.000 1.014 315 S CA 1.022 59.346 58.200 0.206 0.000 0.957 315 S CB -0.470 62.802 63.200 0.120 0.000 0.784 315 S HN 0.757 nan 8.310 nan 0.000 0.499 316 N N -0.211 118.723 118.700 0.389 0.000 2.461 316 N HA 0.089 4.829 4.740 -0.000 0.000 0.188 316 N C -0.927 174.559 175.510 -0.039 0.000 1.134 316 N CA -0.175 52.834 53.050 -0.068 0.000 0.878 316 N CB -0.048 38.045 38.487 -0.657 0.000 0.972 316 N HN 0.351 nan 8.380 nan 0.000 0.456 317 F N 1.315 121.375 119.950 0.183 0.000 2.679 317 F HA 0.182 4.709 4.527 -0.000 0.000 0.351 317 F C 1.400 177.276 175.800 0.126 0.000 1.279 317 F CA 0.006 58.103 58.000 0.161 0.000 1.227 317 F CB 0.289 39.383 39.000 0.156 0.000 1.623 317 F HN -0.105 nan 8.300 nan 0.000 0.666 318 R N 1.122 121.739 120.500 0.195 0.000 2.334 318 R HA 0.305 4.645 4.340 -0.000 0.000 0.212 318 R C -0.120 176.272 176.300 0.154 0.000 0.897 318 R CA 0.113 56.302 56.100 0.148 0.000 1.056 318 R CB 0.483 30.836 30.300 0.088 0.000 1.046 318 R HN 0.384 nan 8.270 nan 0.000 0.513 319 L N 1.089 122.439 121.223 0.211 0.000 2.333 319 L HA 0.498 4.837 4.340 -0.000 0.000 0.269 319 L C -2.392 174.597 176.870 0.198 0.000 1.010 319 L CA -2.685 52.261 54.840 0.177 0.000 0.818 319 L CB 1.796 43.971 42.059 0.193 0.000 1.306 319 L HN -0.273 nan 8.230 nan 0.000 0.430 320 P HA 0.085 nan 4.420 nan 0.000 0.268 320 P C -0.226 177.139 177.300 0.109 0.000 1.204 320 P CA -0.051 63.102 63.100 0.087 0.000 0.768 320 P CB 0.641 32.351 31.700 0.016 0.000 0.842 321 G N 1.192 110.138 108.800 0.243 0.000 2.511 321 G HA2 0.176 4.136 3.960 -0.000 0.000 0.316 321 G HA3 0.176 4.136 3.960 -0.000 0.000 0.316 321 G C -0.028 175.033 174.900 0.269 0.000 1.210 321 G CA -0.429 44.917 45.100 0.411 0.000 0.969 321 G HN 0.293 nan 8.290 nan 0.000 0.492 322 D N -0.064 120.563 120.400 0.378 0.000 2.344 322 D HA 0.091 4.731 4.640 -0.000 0.000 0.242 322 D C 0.990 177.400 176.300 0.182 0.000 1.159 322 D CA 0.404 54.553 54.000 0.247 0.000 0.859 322 D CB 0.067 41.069 40.800 0.335 0.000 0.925 322 D HN 0.152 nan 8.370 nan 0.000 0.510 323 T N 0.526 115.185 114.554 0.176 0.000 4.058 323 T HA 0.121 4.470 4.350 -0.000 0.000 0.252 323 T C 0.901 175.707 174.700 0.177 0.000 1.264 323 T CA -0.394 61.793 62.100 0.145 0.000 1.094 323 T CB -0.235 68.701 68.868 0.114 0.000 1.316 323 T HN 0.091 nan 8.240 nan 0.000 0.872 324 S N 0.949 116.773 115.700 0.206 0.000 2.640 324 S HA 0.382 4.851 4.470 -0.000 0.000 0.262 324 S C 0.557 175.353 174.600 0.328 0.000 1.232 324 S CA -0.869 57.490 58.200 0.265 0.000 0.988 324 S CB 0.446 63.651 63.200 0.007 0.000 1.034 324 S HN 0.304 nan 8.310 nan 0.000 0.569 325 S N 0.607 116.506 115.700 0.333 0.000 2.549 325 S HA 0.406 4.875 4.470 -0.000 0.000 0.283 325 S C 1.506 176.287 174.600 0.302 0.000 1.320 325 S CA -0.179 58.175 58.200 0.257 0.000 1.058 325 S CB 0.728 64.051 63.200 0.204 0.000 0.882 325 S HN 0.913 nan 8.310 nan 0.000 0.498 326 A N 3.157 126.129 122.820 0.254 0.000 1.972 326 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 326 A C 2.270 179.990 177.584 0.227 0.000 1.169 326 A CA 1.790 53.999 52.037 0.287 0.000 0.635 326 A CB -0.986 18.178 19.000 0.275 0.000 0.810 326 A HN 0.920 nan 8.150 nan 0.000 0.446 327 S N -0.332 115.463 115.700 0.159 0.000 2.500 327 S HA -0.135 4.335 4.470 -0.000 0.000 0.239 327 S C 1.767 176.384 174.600 0.028 0.000 0.989 327 S CA 1.022 59.279 58.200 0.095 0.000 0.951 327 S CB -0.462 62.782 63.200 0.072 0.000 0.759 327 S HN 0.636 nan 8.310 nan 0.000 0.523 328 R N -0.705 119.794 120.500 -0.002 0.000 2.148 328 R HA 0.057 4.397 4.340 -0.000 0.000 0.223 328 R C 1.293 177.426 176.300 -0.279 0.000 1.088 328 R CA 1.415 57.427 56.100 -0.146 0.000 0.985 328 R CB -0.227 29.882 30.300 -0.318 0.000 0.880 328 R HN 0.594 nan 8.270 nan 0.000 0.451 329 Y N -2.052 118.012 120.300 -0.395 0.000 2.539 329 Y HA 0.108 4.658 4.550 -0.000 0.000 0.284 329 Y C 0.351 175.647 175.900 -1.007 0.000 1.134 329 Y CA -0.140 57.326 58.100 -1.058 0.000 1.251 329 Y CB 0.411 37.774 38.460 -1.830 0.000 1.260 329 Y HN -0.050 nan 8.280 nan 0.000 0.528 330 W N 0.449 121.819 121.300 0.117 0.000 2.785 330 W HA 0.435 5.094 4.660 -0.000 0.000 0.333 330 W C 0.678 177.211 176.519 0.023 0.000 1.062 330 W CA -0.783 56.591 57.345 0.048 0.000 1.233 330 W CB 1.042 30.538 29.460 0.061 0.000 1.413 330 W HN -0.209 nan 8.180 nan 0.000 0.489 331 E N 0.925 121.263 120.200 0.229 0.000 2.150 331 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 331 E C 0.501 177.139 176.600 0.063 0.000 0.985 331 E CA 0.916 57.384 56.400 0.113 0.000 0.814 331 E CB 0.390 30.138 29.700 0.081 0.000 0.752 331 E HN 0.271 nan 8.360 nan 0.000 0.466 332 R N 0.619 121.165 120.500 0.076 0.000 2.548 332 R HA 0.118 4.458 4.340 -0.000 0.000 0.280 332 R C -1.688 174.587 176.300 -0.042 0.000 1.061 332 R CA -0.492 55.524 56.100 -0.141 0.000 0.915 332 R CB 1.639 31.574 30.300 -0.607 0.000 1.210 332 R HN -0.130 nan 8.270 nan 0.000 0.442 333 D N 2.416 122.795 120.400 -0.035 0.000 2.388 333 D HA 0.207 4.847 4.640 -0.000 0.000 0.254 333 D C 1.023 177.347 176.300 0.040 0.000 1.111 333 D CA -0.399 53.592 54.000 -0.014 0.000 0.993 333 D CB 1.455 42.311 40.800 0.092 0.000 1.118 333 D HN 0.513 nan 8.370 nan 0.000 0.502 334 L N 1.104 122.342 121.223 0.025 0.000 2.554 334 L HA 0.135 4.475 4.340 -0.000 0.000 0.226 334 L C 0.956 177.877 176.870 0.086 0.000 1.137 334 L CA 0.275 55.180 54.840 0.108 0.000 0.863 334 L CB -0.419 41.630 42.059 -0.016 0.000 0.985 334 L HN 0.337 nan 8.230 nan 0.000 0.451 335 I N -4.717 115.884 120.570 0.052 0.000 2.982 335 I HA 0.230 4.399 4.170 -0.000 0.000 0.312 335 I C 0.670 176.808 176.117 0.034 0.000 1.041 335 I CA -0.796 60.530 61.300 0.044 0.000 1.053 335 I CB 1.269 39.291 38.000 0.038 0.000 1.248 335 I HN -0.099 nan 8.210 nan 0.000 0.471 336 Q N 0.729 120.546 119.800 0.028 0.000 2.212 336 Q HA 0.040 4.380 4.340 -0.000 0.000 0.199 336 Q C -0.315 175.694 176.000 0.014 0.000 0.950 336 Q CA 0.889 56.702 55.803 0.016 0.000 0.863 336 Q CB -0.010 28.739 28.738 0.017 0.000 0.944 336 Q HN 0.640 nan 8.270 nan 0.000 0.465 337 E N 2.116 122.329 120.200 0.022 0.000 2.331 337 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 337 E C -2.310 174.310 176.600 0.033 0.000 1.036 337 E CA -1.907 54.506 56.400 0.023 0.000 0.864 337 E CB 0.342 30.056 29.700 0.023 0.000 1.035 337 E HN 0.042 nan 8.360 nan 0.000 0.408 338 P HA 0.144 nan 4.420 nan 0.000 0.279 338 P C -0.785 176.546 177.300 0.050 0.000 1.239 338 P CA -0.185 62.941 63.100 0.044 0.000 0.789 338 P CB 0.706 32.425 31.700 0.032 0.000 0.933 339 L N 2.909 124.176 121.223 0.073 0.000 2.445 339 L HA 0.333 4.673 4.340 -0.000 0.000 0.252 339 L C 0.158 177.081 176.870 0.088 0.000 1.105 339 L CA -0.213 54.672 54.840 0.074 0.000 0.943 339 L CB 0.788 42.901 42.059 0.090 0.000 1.277 339 L HN 0.212 nan 8.230 nan 0.000 0.465 340 E N 2.174 122.412 120.200 0.063 0.000 2.199 340 E HA 0.560 4.910 4.350 -0.000 0.000 0.265 340 E C -0.485 176.140 176.600 0.042 0.000 0.882 340 E CA -0.428 56.010 56.400 0.064 0.000 0.759 340 E CB 2.768 32.494 29.700 0.043 0.000 1.148 340 E HN 0.444 nan 8.360 nan 0.000 0.412 341 A N 2.398 125.251 122.820 0.056 0.000 2.340 341 A HA 0.565 4.885 4.320 -0.000 0.000 0.268 341 A C -0.259 177.281 177.584 -0.073 0.000 1.100 341 A CA -0.456 51.583 52.037 0.004 0.000 0.803 341 A CB 0.768 19.794 19.000 0.044 0.000 1.043 341 A HN 0.340 nan 8.150 nan 0.000 0.488 342 V N 1.940 121.795 119.914 -0.098 0.000 2.577 342 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 342 V C -0.063 175.942 176.094 -0.147 0.000 1.042 342 V CA 0.374 62.598 62.300 -0.127 0.000 0.872 342 V CB 1.438 33.215 31.823 -0.077 0.000 0.998 342 V HN 1.178 nan 8.190 nan 0.000 0.423 343 D N 4.007 124.289 120.400 -0.196 0.000 2.837 343 D HA -0.170 4.469 4.640 -0.000 0.000 0.230 343 D C 1.172 177.371 176.300 -0.168 0.000 1.152 343 D CA 2.088 55.987 54.000 -0.168 0.000 0.736 343 D CB -1.046 39.696 40.800 -0.097 0.000 1.084 343 D HN 1.687 nan 8.370 nan 0.000 0.429 344 G N -1.278 107.361 108.800 -0.268 0.000 2.153 344 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 344 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 344 G C 0.223 175.095 174.900 -0.046 0.000 0.994 344 G CA 0.456 45.460 45.100 -0.159 0.000 0.698 344 G HN 0.604 nan 8.290 nan 0.000 0.521 345 L N -0.308 120.880 121.223 -0.059 0.000 2.325 345 L HA 0.713 5.052 4.340 -0.000 0.000 0.281 345 L C 0.197 177.057 176.870 -0.016 0.000 1.004 345 L CA -1.052 53.775 54.840 -0.023 0.000 0.823 345 L CB 1.811 43.854 42.059 -0.026 0.000 1.236 345 L HN 0.180 nan 8.230 nan 0.000 0.415 346 M N 7.396 126.998 119.600 0.004 0.000 2.129 346 M HA 0.499 4.979 4.480 -0.000 0.000 0.348 346 M C -2.503 173.783 176.300 -0.024 0.000 1.116 346 M CA -1.891 53.412 55.300 0.005 0.000 1.022 346 M CB 1.208 33.827 32.600 0.031 0.000 1.599 346 M HN 0.117 nan 8.290 nan 0.000 0.449 347 P HA 0.165 nan 4.420 nan 0.000 0.277 347 P C -1.034 176.218 177.300 -0.079 0.000 1.240 347 P CA -0.431 62.640 63.100 -0.048 0.000 0.798 347 P CB 0.689 32.368 31.700 -0.034 0.000 0.979 348 V N 4.230 124.072 119.914 -0.120 0.000 2.439 348 V HA 0.107 4.227 4.120 -0.000 0.000 0.271 348 V C -1.576 174.434 176.094 -0.140 0.000 1.040 348 V CA -1.200 60.974 62.300 -0.210 0.000 1.002 348 V CB -0.180 31.475 31.823 -0.280 0.000 1.000 348 V HN 0.583 nan 8.190 nan 0.000 0.477 349 P HA 0.072 nan 4.420 nan 0.000 0.262 349 P C -0.248 177.066 177.300 0.024 0.000 1.199 349 P CA 0.086 63.179 63.100 -0.012 0.000 0.763 349 P CB 0.538 32.259 31.700 0.036 0.000 0.790 350 Q N 1.442 121.249 119.800 0.011 0.000 2.354 350 Q HA 0.506 4.846 4.340 -0.000 0.000 0.244 350 Q C 0.768 176.781 176.000 0.021 0.000 0.969 350 Q CA 0.503 56.315 55.803 0.016 0.000 0.885 350 Q CB 1.173 29.911 28.738 -0.000 0.000 1.241 350 Q HN 0.829 nan 8.270 nan 0.000 0.461 351 G N 1.728 110.536 108.800 0.014 0.000 2.392 351 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.677 351 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.677 351 G C -3.012 171.872 174.900 -0.027 0.000 1.334 351 G CA -1.110 43.985 45.100 -0.008 0.000 0.961 351 G HN 0.439 nan 8.290 nan 0.000 0.616 352 P HA 0.474 nan 4.420 nan 0.000 0.274 352 P C 1.360 178.572 177.300 -0.146 0.000 1.237 352 P CA 1.496 64.537 63.100 -0.097 0.000 0.793 352 P CB 0.798 32.440 31.700 -0.096 0.000 0.977 353 G N 1.762 110.444 108.800 -0.196 0.000 2.651 353 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.315 353 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.315 353 G C 1.144 175.744 174.900 -0.500 0.000 1.258 353 G CA 1.554 46.486 45.100 -0.279 0.000 1.002 353 G HN 0.717 nan 8.290 nan 0.000 0.551 354 T N -0.837 113.438 114.554 -0.465 0.000 3.007 354 T HA 0.330 4.679 4.350 -0.000 0.000 0.270 354 T C 2.685 177.299 174.700 -0.144 0.000 1.107 354 T CA 1.812 63.601 62.100 -0.518 0.000 1.118 354 T CB -0.374 68.257 68.868 -0.395 0.000 0.889 354 T HN 2.767 nan 8.240 nan 0.000 0.506 355 G N 0.750 109.496 108.800 -0.090 0.000 2.155 355 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.257 355 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.257 355 G C 0.183 175.091 174.900 0.013 0.000 0.983 355 G CA 0.519 45.630 45.100 0.018 0.000 0.676 355 G HN 1.599 nan 8.290 nan 0.000 0.528 356 V N -3.732 116.174 119.914 -0.013 0.000 3.074 356 V HA 1.012 5.132 4.120 -0.000 0.000 0.314 356 V C -0.139 175.952 176.094 -0.004 0.000 1.117 356 V CA -0.226 62.075 62.300 0.003 0.000 1.014 356 V CB 2.187 34.021 31.823 0.019 0.000 1.057 356 V HN 0.656 nan 8.190 nan 0.000 0.438 357 T N 2.650 117.210 114.554 0.009 0.000 2.921 357 T HA 0.570 4.920 4.350 -0.000 0.000 0.297 357 T C -0.451 174.263 174.700 0.023 0.000 1.013 357 T CA -0.468 61.639 62.100 0.011 0.000 0.990 357 T CB 1.365 70.240 68.868 0.011 0.000 1.023 357 T HN 0.774 nan 8.240 nan 0.000 0.447 358 L N 2.647 123.885 121.223 0.025 0.000 2.490 358 L HA 0.142 4.482 4.340 -0.000 0.000 0.274 358 L C 0.704 177.603 176.870 0.048 0.000 1.201 358 L CA -0.169 54.693 54.840 0.035 0.000 0.869 358 L CB 0.306 42.383 42.059 0.029 0.000 1.123 358 L HN 0.664 nan 8.230 nan 0.000 0.484 359 D N 3.638 124.082 120.400 0.073 0.000 2.453 359 D HA 0.043 4.682 4.640 -0.000 0.000 0.223 359 D C 1.064 177.425 176.300 0.100 0.000 1.183 359 D CA -0.200 53.859 54.000 0.099 0.000 0.933 359 D CB 0.667 41.555 40.800 0.146 0.000 1.038 359 D HN 0.336 nan 8.370 nan 0.000 0.513 360 R N 2.679 123.217 120.500 0.064 0.000 2.075 360 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 360 R C 1.450 177.771 176.300 0.035 0.000 1.126 360 R CA 0.994 57.118 56.100 0.040 0.000 0.963 360 R CB -0.022 30.299 30.300 0.034 0.000 0.858 360 R HN 0.477 nan 8.270 nan 0.000 0.435 361 E N 0.121 120.356 120.200 0.059 0.000 2.031 361 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 361 E C 1.678 178.326 176.600 0.079 0.000 0.994 361 E CA 1.330 57.766 56.400 0.060 0.000 0.800 361 E CB -0.476 29.268 29.700 0.073 0.000 0.752 361 E HN 0.287 nan 8.360 nan 0.000 0.447 362 F N 0.749 120.695 119.950 -0.007 0.000 2.186 362 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 362 F C 2.004 177.791 175.800 -0.022 0.000 1.090 362 F CA 0.650 58.642 58.000 -0.012 0.000 1.307 362 F CB -0.033 38.960 39.000 -0.013 0.000 1.019 362 F HN 0.055 nan 8.300 nan 0.000 0.489 363 L N 1.366 122.486 121.223 -0.172 0.000 2.012 363 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 363 L C 2.489 179.205 176.870 -0.256 0.000 1.073 363 L CA 2.181 56.870 54.840 -0.251 0.000 0.748 363 L CB -1.411 40.600 42.059 -0.081 0.000 0.891 363 L HN 0.164 nan 8.230 nan 0.000 0.431 364 A N -1.238 121.491 122.820 -0.153 0.000 1.986 364 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 364 A C 2.358 179.853 177.584 -0.150 0.000 1.171 364 A CA 2.445 54.413 52.037 -0.116 0.000 0.640 364 A CB -1.408 17.557 19.000 -0.059 0.000 0.811 364 A HN 0.686 nan 8.150 nan 0.000 0.451 365 T N -2.666 111.756 114.554 -0.220 0.000 3.023 365 T HA 0.051 4.401 4.350 -0.000 0.000 0.266 365 T C 1.154 175.706 174.700 -0.247 0.000 1.093 365 T CA 1.371 63.351 62.100 -0.200 0.000 1.129 365 T CB -0.368 68.409 68.868 -0.152 0.000 0.899 365 T HN 0.850 nan 8.240 nan 0.000 0.491 366 V N -1.754 117.940 119.914 -0.367 0.000 3.276 366 V HA 0.399 4.519 4.120 -0.000 0.000 0.319 366 V C 0.407 176.381 176.094 -0.199 0.000 1.427 366 V CA -0.649 61.476 62.300 -0.290 0.000 1.102 366 V CB -0.664 30.923 31.823 -0.393 0.000 1.020 366 V HN 0.205 nan 8.190 nan 0.000 0.456 367 T N 3.204 117.655 114.554 -0.171 0.000 2.870 367 T HA 0.233 4.582 4.350 -0.000 0.000 0.300 367 T C 1.094 175.744 174.700 -0.082 0.000 0.989 367 T CA 0.791 62.823 62.100 -0.114 0.000 1.139 367 T CB 1.097 69.909 68.868 -0.093 0.000 0.920 367 T HN 0.847 nan 8.240 nan 0.000 0.537 368 E N 1.740 121.901 120.200 -0.065 0.000 2.490 368 E HA 0.470 4.819 4.350 -0.000 0.000 0.209 368 E C 0.263 176.841 176.600 -0.037 0.000 0.971 368 E CA -0.468 55.903 56.400 -0.049 0.000 0.988 368 E CB 0.646 30.319 29.700 -0.045 0.000 1.029 368 E HN 0.501 nan 8.360 nan 0.000 0.496 369 A N 1.568 124.367 122.820 -0.035 0.000 2.547 369 A HA 0.505 4.825 4.320 -0.000 0.000 0.297 369 A C -1.637 175.936 177.584 -0.019 0.000 1.056 369 A CA -0.863 51.160 52.037 -0.024 0.000 0.688 369 A CB 1.497 20.488 19.000 -0.016 0.000 1.282 369 A HN 0.235 nan 8.150 nan 0.000 0.400 370 Q N 1.054 120.846 119.800 -0.014 0.000 2.353 370 Q HA 0.707 5.047 4.340 -0.000 0.000 0.275 370 Q C -1.243 174.750 176.000 -0.012 0.000 1.029 370 Q CA -0.847 54.952 55.803 -0.007 0.000 0.848 370 Q CB 2.114 30.845 28.738 -0.012 0.000 1.390 370 Q HN 0.856 nan 8.270 nan 0.000 0.401 371 E N 0.998 121.196 120.200 -0.003 0.000 2.392 371 E HA 0.503 4.853 4.350 -0.000 0.000 0.279 371 E C -1.560 175.003 176.600 -0.062 0.000 0.964 371 E CA -0.909 55.457 56.400 -0.057 0.000 0.777 371 E CB 2.596 32.267 29.700 -0.049 0.000 1.249 371 E HN 0.667 nan 8.360 nan 0.000 0.449 372 E N 1.553 121.645 120.200 -0.181 0.000 2.238 372 E HA 0.327 4.677 4.350 -0.000 0.000 0.267 372 E C -1.297 175.118 176.600 -0.308 0.000 0.887 372 E CA -0.741 55.588 56.400 -0.117 0.000 0.769 372 E CB 1.452 31.115 29.700 -0.061 0.000 1.187 372 E HN 0.523 nan 8.360 nan 0.000 0.416 373 H N 3.053 122.144 119.070 0.036 0.000 2.600 373 H HA 0.493 5.049 4.556 -0.000 0.000 0.357 373 H C -0.309 175.045 175.328 0.042 0.000 1.106 373 H CA -0.919 55.150 56.048 0.035 0.000 1.193 373 H CB 1.475 31.262 29.762 0.041 0.000 1.594 373 H HN 0.329 nan 8.280 nan 0.000 0.526 374 R N 0.769 121.346 120.500 0.129 0.000 2.912 374 R HA 0.659 4.999 4.340 -0.000 0.000 0.262 374 R C -0.190 176.161 176.300 0.086 0.000 1.057 374 R CA -0.944 55.209 56.100 0.087 0.000 0.981 374 R CB 2.244 32.569 30.300 0.041 0.000 1.201 374 R HN 0.650 nan 8.270 nan 0.000 0.484 375 A N 0.000 122.861 122.820 0.068 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.070 52.037 0.056 0.000 0.836 375 A CB 0.000 19.028 19.000 0.047 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486