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 3mog_1_C DATA FIRST_RESID 3 DATA SEQUENCE LNVQTVAVIG SGTMGAGIAE VAASHGHQVL LYDISAEALT RAIDGIHARL DATA SEQUENCE NSRVTRGKLT AETCERTLKR LIPVTDIHAL AAADLVIEAA SERLEVKKAL DATA SEQUENCE FAQLAEVCPP QTLLTTNTSS ISITAIAAEI KNPERVAGLH FFNPAPVMKL DATA SEQUENCE VEVVSGLATA AEVVEQLCEL TLSWGKQPVR CHSTPGFIVN RVARPYYSEA DATA SEQUENCE WRALEEQVAA PEVIDAALRD GAGFPMGPLE LTDLIGQDVN FAVTCSVFNA DATA SEQUENCE FWQERRFLPS LVQQELVIGG RLGKKSGLGV YDWRAEREAV VGLEAVSDSF DATA SEQUENCE SPMKVEKKSD GVTEIDDVLL IETQGETAQA LAIRLARPVV VIDKMAGKVV DATA SEQUENCE TIAAAAVNPD SATRKAIYYL QQQGKTVLQI ADYPGMLIWR TVAMIINEAL DATA SEQUENCE DALQKGVASE QDIDTAMRLG VNYPYGPLAW GAQLGWQRIL RLLENLQHHY DATA SEQUENCE GEERYRPCSL LRQRALLESG YE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.880 176.870 0.016 0.000 1.165 3 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 3 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 4 N N 4.024 122.740 118.700 0.026 0.000 2.687 4 N HA 0.310 5.050 4.740 -0.000 0.000 0.275 4 N C -1.345 174.206 175.510 0.068 0.000 1.789 4 N CA -0.091 52.986 53.050 0.044 0.000 0.806 4 N CB 2.062 40.568 38.487 0.032 0.000 1.256 4 N HN 0.293 nan 8.380 nan 0.000 0.500 5 V N 1.784 121.758 119.914 0.100 0.000 2.408 5 V HA 0.155 4.275 4.120 -0.000 0.000 0.267 5 V C 0.935 177.192 176.094 0.271 0.000 1.047 5 V CA 0.250 62.639 62.300 0.149 0.000 0.937 5 V CB 1.881 33.771 31.823 0.112 0.000 0.999 5 V HN 0.371 nan 8.190 nan 0.000 0.472 6 Q N 3.136 123.072 119.800 0.226 0.000 2.596 6 Q HA 0.224 4.564 4.340 -0.000 0.000 0.190 6 Q C 0.743 176.931 176.000 0.314 0.000 0.905 6 Q CA 0.673 56.619 55.803 0.237 0.000 0.846 6 Q CB 0.330 29.135 28.738 0.111 0.000 1.117 6 Q HN 0.731 nan 8.270 nan 0.000 0.630 7 T N 1.442 116.103 114.554 0.179 0.000 2.761 7 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 7 T C -0.798 173.980 174.700 0.129 0.000 0.934 7 T CA -0.306 61.880 62.100 0.143 0.000 1.091 7 T CB 0.871 69.788 68.868 0.081 0.000 0.896 7 T HN 0.029 nan 8.240 nan 0.000 0.515 8 V N 2.864 122.853 119.914 0.125 0.000 2.435 8 V HA 0.707 4.827 4.120 -0.000 0.000 0.290 8 V C 0.284 176.408 176.094 0.050 0.000 1.030 8 V CA -1.054 61.298 62.300 0.088 0.000 0.881 8 V CB 1.428 33.300 31.823 0.082 0.000 0.983 8 V HN 1.041 nan 8.190 nan 0.000 0.445 9 A N 4.675 127.515 122.820 0.034 0.000 2.304 9 A HA 0.812 5.132 4.320 -0.000 0.000 0.323 9 A C -0.712 176.884 177.584 0.020 0.000 1.195 9 A CA -0.489 51.557 52.037 0.015 0.000 0.826 9 A CB 1.242 20.229 19.000 -0.020 0.000 1.184 9 A HN 0.659 nan 8.150 nan 0.000 0.496 10 V N 4.277 124.205 119.914 0.023 0.000 2.409 10 V HA 0.341 4.461 4.120 -0.000 0.000 0.291 10 V C -0.305 175.823 176.094 0.056 0.000 1.020 10 V CA -0.195 62.117 62.300 0.020 0.000 0.848 10 V CB 1.365 33.175 31.823 -0.021 0.000 0.990 10 V HN 0.749 nan 8.190 nan 0.000 0.430 11 I N 4.706 125.316 120.570 0.066 0.000 2.307 11 I HA 0.759 4.929 4.170 -0.000 0.000 0.289 11 I C 0.660 176.819 176.117 0.070 0.000 1.021 11 I CA -0.023 61.353 61.300 0.127 0.000 1.224 11 I CB 1.258 39.339 38.000 0.134 0.000 1.376 11 I HN 0.860 nan 8.210 nan 0.000 0.470 12 G N 3.666 112.482 108.800 0.027 0.000 2.627 12 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.680 12 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.680 12 G C -0.111 174.770 174.900 -0.033 0.000 1.341 12 G CA -0.217 44.874 45.100 -0.013 0.000 0.835 12 G HN 0.682 nan 8.290 nan 0.000 0.643 13 S N 0.257 115.929 115.700 -0.048 0.000 2.629 13 S HA 0.575 5.045 4.470 -0.000 0.000 0.236 13 S C 1.372 175.950 174.600 -0.037 0.000 1.010 13 S CA 0.894 59.065 58.200 -0.048 0.000 0.981 13 S CB 0.633 63.796 63.200 -0.062 0.000 0.919 13 S HN 1.906 nan 8.310 nan 0.000 0.514 14 G N 1.679 110.461 108.800 -0.029 0.000 2.570 14 G HA2 0.335 4.295 3.960 -0.000 0.000 0.276 14 G HA3 0.335 4.295 3.960 -0.000 0.000 0.276 14 G C 0.862 175.748 174.900 -0.022 0.000 1.346 14 G CA 0.258 45.345 45.100 -0.021 0.000 1.034 14 G HN 0.257 nan 8.290 nan 0.000 0.512 15 T N 0.530 115.075 114.554 -0.015 0.000 2.684 15 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 15 T C 2.538 177.224 174.700 -0.023 0.000 1.036 15 T CA 1.544 63.635 62.100 -0.015 0.000 1.148 15 T CB -0.187 68.679 68.868 -0.003 0.000 0.863 15 T HN 0.172 nan 8.240 nan 0.000 0.436 16 M N 1.134 120.723 119.600 -0.018 0.000 2.099 16 M HA 0.109 4.589 4.480 -0.000 0.000 0.262 16 M C 2.867 179.124 176.300 -0.072 0.000 1.067 16 M CA 1.474 56.755 55.300 -0.031 0.000 1.124 16 M CB -1.951 30.651 32.600 0.004 0.000 1.353 16 M HN 0.404 nan 8.290 nan 0.000 0.410 17 G N -0.003 108.767 108.800 -0.050 0.000 2.446 17 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 17 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 17 G C 1.662 176.512 174.900 -0.084 0.000 1.168 17 G CA 1.482 46.546 45.100 -0.061 0.000 0.771 17 G HN 0.549 nan 8.290 nan 0.000 0.551 18 A N 0.701 123.481 122.820 -0.066 0.000 1.902 18 A HA 0.176 4.496 4.320 -0.000 0.000 0.217 18 A C 2.694 180.225 177.584 -0.087 0.000 1.181 18 A CA 2.095 54.093 52.037 -0.065 0.000 0.623 18 A CB -0.963 18.011 19.000 -0.044 0.000 0.818 18 A HN 0.549 nan 8.150 nan 0.000 0.443 19 G N -0.263 108.481 108.800 -0.094 0.000 2.403 19 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 19 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 19 G C 1.495 176.279 174.900 -0.193 0.000 1.154 19 G CA 1.008 46.043 45.100 -0.108 0.000 0.784 19 G HN 0.464 nan 8.290 nan 0.000 0.538 20 I N 1.324 121.726 120.570 -0.279 0.000 2.252 20 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 20 I C 3.253 179.162 176.117 -0.346 0.000 1.102 20 I CA 0.878 61.899 61.300 -0.465 0.000 1.385 20 I CB -0.130 37.529 38.000 -0.568 0.000 1.064 20 I HN 0.216 nan 8.210 nan 0.000 0.414 21 A N 0.312 122.997 122.820 -0.225 0.000 1.908 21 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 21 A C 2.325 179.798 177.584 -0.185 0.000 1.181 21 A CA 2.101 54.031 52.037 -0.177 0.000 0.627 21 A CB -0.723 18.215 19.000 -0.104 0.000 0.818 21 A HN 0.512 nan 8.150 nan 0.000 0.445 22 E N -0.217 119.889 120.200 -0.157 0.000 2.085 22 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 22 E C 1.899 178.402 176.600 -0.160 0.000 0.994 22 E CA 1.632 57.954 56.400 -0.131 0.000 0.801 22 E CB -0.157 29.486 29.700 -0.094 0.000 0.743 22 E HN 0.343 nan 8.360 nan 0.000 0.453 23 V N 1.202 120.993 119.914 -0.204 0.000 2.295 23 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 23 V C 2.487 178.315 176.094 -0.444 0.000 1.049 23 V CA 1.885 64.065 62.300 -0.200 0.000 1.024 23 V CB -0.843 30.875 31.823 -0.174 0.000 0.648 23 V HN 0.455 nan 8.190 nan 0.000 0.447 24 A N -0.014 122.346 122.820 -0.767 0.000 1.877 24 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 24 A C 2.400 179.785 177.584 -0.332 0.000 1.186 24 A CA 2.176 53.612 52.037 -1.002 0.000 0.620 24 A CB -0.851 17.660 19.000 -0.814 0.000 0.822 24 A HN 0.576 nan 8.150 nan 0.000 0.443 25 A N 0.132 122.832 122.820 -0.199 0.000 1.969 25 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 25 A C 2.417 179.947 177.584 -0.090 0.000 1.169 25 A CA 2.084 54.070 52.037 -0.084 0.000 0.635 25 A CB -0.898 18.058 19.000 -0.075 0.000 0.810 25 A HN 1.066 nan 8.150 nan 0.000 0.445 26 S N -1.114 114.502 115.700 -0.140 0.000 2.547 26 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 26 S C 0.992 175.393 174.600 -0.331 0.000 0.980 26 S CA 1.288 59.360 58.200 -0.213 0.000 0.941 26 S CB -0.606 62.449 63.200 -0.241 0.000 0.763 26 S HN 0.699 nan 8.310 nan 0.000 0.532 27 H N -0.031 118.987 119.070 -0.088 0.000 2.581 27 H HA 0.479 5.035 4.556 -0.000 0.000 0.275 27 H C 1.350 176.689 175.328 0.019 0.000 1.126 27 H CA 0.098 56.150 56.048 0.008 0.000 1.097 27 H CB 0.640 30.435 29.762 0.055 0.000 1.626 27 H HN 0.471 nan 8.280 nan 0.000 0.565 28 G N 0.371 109.183 108.800 0.020 0.000 2.159 28 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.227 28 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.227 28 G C -0.265 174.539 174.900 -0.161 0.000 0.986 28 G CA -0.522 44.531 45.100 -0.079 0.000 0.651 28 G HN 0.453 nan 8.290 nan 0.000 0.523 29 H N 0.392 119.482 119.070 0.034 0.000 2.502 29 H HA 0.413 4.969 4.556 -0.000 0.000 0.327 29 H C 0.573 175.905 175.328 0.006 0.000 1.099 29 H CA -0.218 55.857 56.048 0.046 0.000 1.323 29 H CB 1.392 31.201 29.762 0.079 0.000 1.450 29 H HN 0.415 nan 8.280 nan 0.000 0.502 30 Q N 2.417 122.288 119.800 0.118 0.000 2.271 30 Q HA 0.173 4.513 4.340 -0.000 0.000 0.273 30 Q C -1.142 174.906 176.000 0.081 0.000 1.051 30 Q CA -0.203 55.644 55.803 0.073 0.000 0.901 30 Q CB 0.346 29.118 28.738 0.057 0.000 1.174 30 Q HN 0.354 nan 8.270 nan 0.000 0.385 31 V N 6.706 126.645 119.914 0.042 0.000 2.357 31 V HA 0.270 4.390 4.120 -0.000 0.000 0.284 31 V C -0.290 175.817 176.094 0.021 0.000 1.018 31 V CA -0.671 61.642 62.300 0.022 0.000 0.841 31 V CB 1.304 33.116 31.823 -0.019 0.000 0.991 31 V HN 0.750 nan 8.190 nan 0.000 0.437 32 L N 5.944 127.184 121.223 0.028 0.000 2.295 32 L HA 0.380 4.720 4.340 -0.000 0.000 0.288 32 L C -0.323 176.576 176.870 0.047 0.000 1.079 32 L CA -0.374 54.488 54.840 0.037 0.000 0.830 32 L CB 0.887 42.967 42.059 0.034 0.000 1.200 32 L HN 0.458 nan 8.230 nan 0.000 0.438 33 L N 5.382 126.631 121.223 0.043 0.000 2.268 33 L HA 0.273 4.613 4.340 -0.000 0.000 0.289 33 L C -0.724 176.195 176.870 0.082 0.000 1.064 33 L CA 0.011 54.876 54.840 0.042 0.000 0.824 33 L CB 0.340 42.401 42.059 0.003 0.000 1.202 33 L HN 0.353 nan 8.230 nan 0.000 0.433 34 Y N 4.973 125.255 120.300 -0.029 0.000 2.330 34 Y HA 0.622 5.172 4.550 -0.000 0.000 0.336 34 Y C -0.718 175.166 175.900 -0.027 0.000 1.036 34 Y CA -0.188 57.895 58.100 -0.029 0.000 1.125 34 Y CB 1.001 39.438 38.460 -0.038 0.000 1.194 34 Y HN 0.701 nan 8.280 nan 0.000 0.469 35 D N 4.317 124.274 120.400 -0.738 0.000 2.654 35 D HA 0.130 4.770 4.640 -0.000 0.000 0.231 35 D C 0.387 176.274 176.300 -0.690 0.000 1.239 35 D CA -0.424 53.137 54.000 -0.732 0.000 0.790 35 D CB 1.412 42.027 40.800 -0.309 0.000 1.480 35 D HN 0.658 nan 8.370 nan 0.000 0.442 36 I N -0.567 119.700 120.570 -0.505 0.000 2.546 36 I HA 0.093 4.263 4.170 -0.000 0.000 0.255 36 I C 0.987 177.016 176.117 -0.146 0.000 1.163 36 I CA 0.340 61.488 61.300 -0.253 0.000 1.457 36 I CB -0.094 37.827 38.000 -0.131 0.000 1.092 36 I HN 0.104 nan 8.210 nan 0.000 0.434 37 S N 1.064 116.679 115.700 -0.143 0.000 2.430 37 S HA 0.642 5.112 4.470 -0.000 0.000 0.289 37 S C 1.119 175.668 174.600 -0.086 0.000 1.143 37 S CA -0.154 57.991 58.200 -0.091 0.000 1.067 37 S CB 1.373 64.528 63.200 -0.075 0.000 0.964 37 S HN 0.414 nan 8.310 nan 0.000 0.485 38 A N 4.652 127.435 122.820 -0.061 0.000 2.014 38 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 38 A C 1.749 179.307 177.584 -0.044 0.000 1.163 38 A CA 1.227 53.234 52.037 -0.049 0.000 0.652 38 A CB -0.483 18.497 19.000 -0.032 0.000 0.808 38 A HN 0.904 nan 8.150 nan 0.000 0.449 39 E N 0.321 120.496 120.200 -0.041 0.000 2.077 39 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 39 E C 2.251 178.827 176.600 -0.041 0.000 0.989 39 E CA 1.092 57.470 56.400 -0.037 0.000 0.800 39 E CB -0.350 29.331 29.700 -0.032 0.000 0.746 39 E HN 0.584 nan 8.360 nan 0.000 0.452 40 A N 1.368 124.159 122.820 -0.049 0.000 1.877 40 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 40 A C 2.248 179.801 177.584 -0.051 0.000 1.186 40 A CA 1.152 53.158 52.037 -0.051 0.000 0.620 40 A CB -0.760 18.202 19.000 -0.063 0.000 0.822 40 A HN 0.144 nan 8.150 nan 0.000 0.443 41 L N -0.547 120.641 121.223 -0.059 0.000 2.042 41 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 41 L C 2.828 179.675 176.870 -0.038 0.000 1.076 41 L CA 1.894 56.703 54.840 -0.051 0.000 0.749 41 L CB -1.014 41.013 42.059 -0.053 0.000 0.893 41 L HN 0.397 nan 8.230 nan 0.000 0.432 42 T N -0.874 113.657 114.554 -0.038 0.000 2.746 42 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 42 T C 2.004 176.683 174.700 -0.035 0.000 1.039 42 T CA 1.248 63.326 62.100 -0.037 0.000 1.142 42 T CB -0.200 68.646 68.868 -0.037 0.000 0.866 42 T HN 0.295 nan 8.240 nan 0.000 0.444 43 R N 1.118 121.598 120.500 -0.033 0.000 2.073 43 R HA 0.053 4.393 4.340 -0.000 0.000 0.234 43 R C 2.910 179.196 176.300 -0.023 0.000 1.134 43 R CA 1.316 57.399 56.100 -0.028 0.000 0.952 43 R CB -0.587 29.697 30.300 -0.027 0.000 0.850 43 R HN 0.378 nan 8.270 nan 0.000 0.433 44 A N 1.192 123.997 122.820 -0.026 0.000 1.883 44 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 44 A C 2.184 179.759 177.584 -0.016 0.000 1.186 44 A CA 1.365 53.388 52.037 -0.024 0.000 0.624 44 A CB -0.547 18.434 19.000 -0.032 0.000 0.822 44 A HN 0.213 nan 8.150 nan 0.000 0.444 45 I N -0.212 120.348 120.570 -0.016 0.000 2.315 45 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 45 I C 1.768 177.895 176.117 0.018 0.000 1.117 45 I CA 1.281 62.580 61.300 -0.003 0.000 1.404 45 I CB -0.377 37.617 38.000 -0.010 0.000 1.071 45 I HN 0.272 nan 8.210 nan 0.000 0.419 46 D N 0.915 121.312 120.400 -0.005 0.000 2.123 46 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 46 D C 2.170 178.497 176.300 0.046 0.000 0.992 46 D CA 1.583 55.584 54.000 0.000 0.000 0.833 46 D CB -0.645 40.137 40.800 -0.030 0.000 0.954 46 D HN 0.393 nan 8.370 nan 0.000 0.455 47 G N 1.240 110.053 108.800 0.021 0.000 2.491 47 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 47 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 47 G C 1.808 176.724 174.900 0.026 0.000 1.180 47 G CA 0.812 45.923 45.100 0.019 0.000 0.774 47 G HN 0.297 nan 8.290 nan 0.000 0.562 48 I N -0.255 120.328 120.570 0.022 0.000 2.179 48 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 48 I C 2.557 178.691 176.117 0.028 0.000 1.088 48 I CA 1.407 62.714 61.300 0.010 0.000 1.357 48 I CB -0.582 37.414 38.000 -0.006 0.000 1.051 48 I HN 0.238 nan 8.210 nan 0.000 0.409 49 H N 1.734 120.786 119.070 -0.030 0.000 2.289 49 H HA -0.238 4.318 4.556 -0.000 0.000 0.296 49 H C 2.247 177.561 175.328 -0.023 0.000 1.091 49 H CA 2.311 58.343 56.048 -0.026 0.000 1.274 49 H CB 0.120 29.868 29.762 -0.023 0.000 1.364 49 H HN 0.355 nan 8.280 nan 0.000 0.490 50 A N 1.306 124.203 122.820 0.128 0.000 1.902 50 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 50 A C 2.674 180.256 177.584 -0.004 0.000 1.181 50 A CA 1.475 53.552 52.037 0.067 0.000 0.623 50 A CB -0.429 18.612 19.000 0.069 0.000 0.818 50 A HN 0.451 nan 8.150 nan 0.000 0.443 51 R N -0.681 119.812 120.500 -0.010 0.000 2.073 51 R HA 0.075 4.415 4.340 -0.000 0.000 0.229 51 R C 2.036 178.309 176.300 -0.046 0.000 1.120 51 R CA 1.227 57.313 56.100 -0.023 0.000 0.967 51 R CB -0.450 29.840 30.300 -0.017 0.000 0.862 51 R HN 0.481 nan 8.270 nan 0.000 0.436 52 L N 0.502 121.683 121.223 -0.070 0.000 2.093 52 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 52 L C 1.676 178.478 176.870 -0.114 0.000 1.085 52 L CA 1.307 56.092 54.840 -0.092 0.000 0.755 52 L CB -0.435 41.559 42.059 -0.109 0.000 0.904 52 L HN 0.232 nan 8.230 nan 0.000 0.435 53 N N -0.550 118.058 118.700 -0.154 0.000 2.244 53 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 53 N C 2.036 177.497 175.510 -0.081 0.000 1.016 53 N CA 1.349 54.308 53.050 -0.151 0.000 0.866 53 N CB 0.030 38.390 38.487 -0.211 0.000 0.980 53 N HN 0.276 nan 8.380 nan 0.000 0.430 54 S N 0.579 116.244 115.700 -0.057 0.000 2.428 54 S HA -0.009 4.461 4.470 -0.000 0.000 0.230 54 S C 1.757 176.337 174.600 -0.033 0.000 1.014 54 S CA 0.459 58.639 58.200 -0.034 0.000 0.957 54 S CB -0.050 63.137 63.200 -0.021 0.000 0.784 54 S HN 0.219 nan 8.310 nan 0.000 0.499 55 R N 0.587 121.062 120.500 -0.041 0.000 2.115 55 R HA 0.051 4.391 4.340 -0.000 0.000 0.230 55 R C 2.227 178.504 176.300 -0.038 0.000 1.111 55 R CA 1.308 57.386 56.100 -0.036 0.000 0.976 55 R CB -0.704 29.573 30.300 -0.039 0.000 0.870 55 R HN 0.399 nan 8.270 nan 0.000 0.445 56 V N 0.621 120.505 119.914 -0.049 0.000 2.358 56 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 56 V C 2.199 178.272 176.094 -0.034 0.000 1.047 56 V CA 2.037 64.310 62.300 -0.045 0.000 1.035 56 V CB -0.644 31.145 31.823 -0.058 0.000 0.658 56 V HN 0.338 nan 8.190 nan 0.000 0.452 57 T N 0.315 114.849 114.554 -0.033 0.000 2.635 57 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 57 T C 1.841 176.530 174.700 -0.018 0.000 1.040 57 T CA 1.690 63.776 62.100 -0.023 0.000 1.156 57 T CB -0.301 68.555 68.868 -0.020 0.000 0.863 57 T HN 0.457 nan 8.240 nan 0.000 0.430 58 R N 0.650 121.139 120.500 -0.019 0.000 2.323 58 R HA 0.229 4.569 4.340 -0.000 0.000 0.198 58 R C 1.585 177.876 176.300 -0.015 0.000 0.988 58 R CA 0.421 56.512 56.100 -0.015 0.000 1.041 58 R CB -0.081 30.211 30.300 -0.013 0.000 0.926 58 R HN 0.490 nan 8.270 nan 0.000 0.476 59 G N 2.034 110.823 108.800 -0.019 0.000 2.221 59 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 59 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 59 G C 0.645 175.534 174.900 -0.018 0.000 1.041 59 G CA 0.260 45.349 45.100 -0.018 0.000 0.807 59 G HN 0.243 nan 8.290 nan 0.000 0.502 60 K N -1.344 119.044 120.400 -0.021 0.000 2.374 60 K HA 0.411 4.731 4.320 -0.000 0.000 0.196 60 K C 0.438 177.023 176.600 -0.026 0.000 1.023 60 K CA 0.116 56.391 56.287 -0.020 0.000 1.103 60 K CB 0.864 33.354 32.500 -0.017 0.000 0.848 60 K HN 0.577 nan 8.250 nan 0.000 0.528 61 L N 0.406 121.609 121.223 -0.033 0.000 2.549 61 L HA 0.174 4.514 4.340 -0.000 0.000 0.259 61 L C -0.671 176.174 176.870 -0.042 0.000 0.934 61 L CA -0.342 54.473 54.840 -0.042 0.000 0.865 61 L CB 2.025 44.052 42.059 -0.053 0.000 1.352 61 L HN 0.120 nan 8.230 nan 0.000 0.410 62 T N 1.351 115.880 114.554 -0.042 0.000 2.898 62 T HA 0.498 4.848 4.350 -0.000 0.000 0.301 62 T C 1.274 175.947 174.700 -0.045 0.000 1.049 62 T CA 0.058 62.135 62.100 -0.038 0.000 1.095 62 T CB 1.257 70.105 68.868 -0.034 0.000 0.976 62 T HN 0.910 nan 8.240 nan 0.000 0.539 63 A N 0.957 123.753 122.820 -0.040 0.000 1.940 63 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 63 A C 2.303 179.862 177.584 -0.042 0.000 1.176 63 A CA 1.854 53.866 52.037 -0.043 0.000 0.631 63 A CB -1.040 17.940 19.000 -0.033 0.000 0.814 63 A HN 1.058 nan 8.150 nan 0.000 0.446 64 E N -0.711 119.468 120.200 -0.036 0.000 2.038 64 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 64 E C 1.934 178.509 176.600 -0.043 0.000 1.000 64 E CA 1.817 58.197 56.400 -0.034 0.000 0.803 64 E CB -0.223 29.459 29.700 -0.029 0.000 0.750 64 E HN 0.516 nan 8.360 nan 0.000 0.448 65 T N 0.464 114.988 114.554 -0.050 0.000 2.821 65 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 65 T C 1.948 176.604 174.700 -0.072 0.000 1.046 65 T CA 0.989 63.051 62.100 -0.064 0.000 1.139 65 T CB -0.579 68.245 68.868 -0.074 0.000 0.871 65 T HN 0.370 nan 8.240 nan 0.000 0.454 66 C N 1.659 120.915 119.300 -0.072 0.000 2.393 66 C HA -0.121 4.339 4.460 -0.000 0.000 0.276 66 C C 2.763 177.708 174.990 -0.074 0.000 1.215 66 C CA 1.491 60.459 59.018 -0.084 0.000 1.743 66 C CB -0.861 26.823 27.740 -0.094 0.000 2.044 66 C HN 0.506 nan 8.230 nan 0.000 0.464 67 E N 0.353 120.518 120.200 -0.058 0.000 2.106 67 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 67 E C 2.493 179.076 176.600 -0.029 0.000 0.984 67 E CA 1.236 57.613 56.400 -0.039 0.000 0.806 67 E CB -0.374 29.310 29.700 -0.027 0.000 0.750 67 E HN 0.577 nan 8.360 nan 0.000 0.458 68 R N -0.485 119.994 120.500 -0.035 0.000 2.092 68 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 68 R C 2.264 178.542 176.300 -0.037 0.000 1.119 68 R CA 1.607 57.687 56.100 -0.032 0.000 0.970 68 R CB -0.547 29.732 30.300 -0.036 0.000 0.864 68 R HN 0.219 nan 8.270 nan 0.000 0.440 69 T N 2.086 116.609 114.554 -0.051 0.000 2.652 69 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 69 T C 1.992 176.670 174.700 -0.038 0.000 1.039 69 T CA 1.179 63.245 62.100 -0.057 0.000 1.153 69 T CB -0.236 68.585 68.868 -0.079 0.000 0.863 69 T HN 0.145 nan 8.240 nan 0.000 0.428 70 L N 0.421 121.627 121.223 -0.028 0.000 2.083 70 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 70 L C 2.649 179.525 176.870 0.010 0.000 1.083 70 L CA 1.280 56.122 54.840 0.003 0.000 0.752 70 L CB -0.466 41.612 42.059 0.033 0.000 0.899 70 L HN 0.185 nan 8.230 nan 0.000 0.433 71 K N 0.197 120.599 120.400 0.003 0.000 2.211 71 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 71 K C 2.100 178.701 176.600 0.001 0.000 1.050 71 K CA 0.960 57.250 56.287 0.004 0.000 0.945 71 K CB 0.116 32.616 32.500 -0.001 0.000 0.732 71 K HN 0.202 nan 8.250 nan 0.000 0.451 72 R N -0.055 120.442 120.500 -0.005 0.000 2.299 72 R HA 0.108 4.448 4.340 -0.000 0.000 0.197 72 R C -0.097 176.203 176.300 0.000 0.000 0.971 72 R CA 0.085 56.184 56.100 -0.001 0.000 1.030 72 R CB 0.155 30.453 30.300 -0.004 0.000 0.932 72 R HN 0.089 nan 8.270 nan 0.000 0.477 73 L N 2.488 123.709 121.223 -0.004 0.000 2.334 73 L HA 0.261 4.601 4.340 -0.000 0.000 0.286 73 L C -0.308 176.564 176.870 0.003 0.000 1.108 73 L CA -0.058 54.780 54.840 -0.005 0.000 0.875 73 L CB 0.555 42.608 42.059 -0.009 0.000 1.246 73 L HN 0.007 nan 8.230 nan 0.000 0.439 74 I N 5.857 126.432 120.570 0.009 0.000 2.306 74 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 74 I C -2.033 174.095 176.117 0.019 0.000 1.036 74 I CA -2.010 59.298 61.300 0.014 0.000 1.221 74 I CB 1.178 39.190 38.000 0.019 0.000 1.385 74 I HN 0.309 nan 8.210 nan 0.000 0.472 75 P HA 0.152 nan 4.420 nan 0.000 0.276 75 P C -0.633 176.686 177.300 0.032 0.000 1.243 75 P CA -0.075 63.033 63.100 0.014 0.000 0.768 75 P CB 1.338 33.036 31.700 -0.004 0.000 0.856 76 V N 0.476 120.427 119.914 0.062 0.000 2.876 76 V HA 0.609 4.729 4.120 -0.000 0.000 0.312 76 V C 0.409 176.590 176.094 0.145 0.000 1.085 76 V CA -0.463 61.900 62.300 0.106 0.000 0.945 76 V CB 1.708 33.609 31.823 0.130 0.000 1.017 76 V HN 0.418 nan 8.190 nan 0.000 0.428 77 T N 1.054 115.692 114.554 0.140 0.000 2.975 77 T HA 0.215 4.565 4.350 -0.000 0.000 0.257 77 T C 0.031 174.895 174.700 0.274 0.000 1.003 77 T CA 0.555 62.728 62.100 0.122 0.000 0.932 77 T CB -0.037 68.853 68.868 0.037 0.000 1.087 77 T HN 0.876 nan 8.240 nan 0.000 0.512 78 D N 1.253 121.794 120.400 0.236 0.000 2.329 78 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 78 D C 1.051 177.398 176.300 0.079 0.000 1.088 78 D CA -0.727 53.385 54.000 0.187 0.000 0.835 78 D CB 0.704 41.582 40.800 0.131 0.000 1.078 78 D HN 0.020 nan 8.370 nan 0.000 0.495 79 I N 2.622 123.144 120.570 -0.080 0.000 2.423 79 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 79 I C 1.918 177.821 176.117 -0.357 0.000 1.151 79 I CA 1.004 62.002 61.300 -0.503 0.000 1.421 79 I CB -0.619 37.061 38.000 -0.533 0.000 1.079 79 I HN 0.536 nan 8.210 nan 0.000 0.431 80 H N 1.093 120.091 119.070 -0.120 0.000 2.495 80 H HA 0.141 4.697 4.556 -0.000 0.000 0.287 80 H C 2.328 177.616 175.328 -0.068 0.000 1.033 80 H CA 1.204 57.203 56.048 -0.082 0.000 1.307 80 H CB 0.085 29.820 29.762 -0.045 0.000 1.401 80 H HN 0.457 nan 8.280 nan 0.000 0.555 81 A N 1.285 124.130 122.820 0.042 0.000 2.070 81 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 81 A C 2.293 179.865 177.584 -0.020 0.000 1.159 81 A CA 0.596 52.645 52.037 0.020 0.000 0.656 81 A CB -0.713 18.308 19.000 0.034 0.000 0.800 81 A HN 0.302 nan 8.150 nan 0.000 0.453 82 L N -0.786 120.386 121.223 -0.085 0.000 2.675 82 L HA -0.002 4.338 4.340 -0.000 0.000 0.238 82 L C 2.501 179.326 176.870 -0.076 0.000 1.155 82 L CA 0.365 55.145 54.840 -0.101 0.000 0.881 82 L CB -0.655 41.289 42.059 -0.191 0.000 1.008 82 L HN 0.407 nan 8.230 nan 0.000 0.443 83 A N 0.676 123.468 122.820 -0.045 0.000 2.015 83 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 83 A C 2.499 180.078 177.584 -0.009 0.000 1.163 83 A CA 1.440 53.464 52.037 -0.023 0.000 0.646 83 A CB -0.217 18.789 19.000 0.009 0.000 0.806 83 A HN 0.412 nan 8.150 nan 0.000 0.448 84 A N -0.485 122.333 122.820 -0.002 0.000 2.119 84 A HA 0.532 4.852 4.320 -0.000 0.000 0.216 84 A C 1.385 178.977 177.584 0.014 0.000 1.152 84 A CA 0.730 52.773 52.037 0.009 0.000 0.708 84 A CB -0.687 18.323 19.000 0.015 0.000 0.805 84 A HN 0.922 nan 8.150 nan 0.000 0.460 85 A N 0.356 123.178 122.820 0.004 0.000 2.440 85 A HA 0.387 4.707 4.320 -0.000 0.000 0.251 85 A C 0.376 177.971 177.584 0.017 0.000 1.089 85 A CA -0.091 51.955 52.037 0.014 0.000 0.779 85 A CB 0.225 19.223 19.000 -0.003 0.000 1.022 85 A HN 0.322 nan 8.150 nan 0.000 0.492 86 D N 0.380 120.804 120.400 0.040 0.000 2.289 86 D HA 0.097 4.737 4.640 -0.000 0.000 0.207 86 D C -0.096 176.223 176.300 0.031 0.000 0.966 86 D CA 0.925 54.948 54.000 0.038 0.000 0.868 86 D CB 0.231 41.066 40.800 0.059 0.000 0.943 86 D HN 0.352 nan 8.370 nan 0.000 0.514 87 L N 0.584 121.829 121.223 0.038 0.000 2.464 87 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 87 L C -1.539 175.350 176.870 0.032 0.000 0.965 87 L CA -0.758 54.104 54.840 0.038 0.000 0.833 87 L CB 2.401 44.494 42.059 0.056 0.000 1.296 87 L HN -0.359 nan 8.230 nan 0.000 0.405 88 V N 6.214 126.135 119.914 0.010 0.000 2.417 88 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 88 V C -0.112 176.001 176.094 0.033 0.000 1.024 88 V CA -0.344 61.947 62.300 -0.017 0.000 0.861 88 V CB 1.665 33.418 31.823 -0.117 0.000 0.985 88 V HN 0.619 nan 8.190 nan 0.000 0.436 89 I N 4.065 124.671 120.570 0.061 0.000 2.382 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.285 89 I C 0.066 176.236 176.117 0.088 0.000 1.007 89 I CA -0.342 61.029 61.300 0.117 0.000 1.142 89 I CB 1.426 39.523 38.000 0.161 0.000 1.289 89 I HN 0.556 nan 8.210 nan 0.000 0.453 90 E N 6.286 126.560 120.200 0.125 0.000 2.229 90 E HA 0.518 4.868 4.350 -0.000 0.000 0.283 90 E C -0.673 176.015 176.600 0.146 0.000 1.030 90 E CA -0.315 56.160 56.400 0.124 0.000 0.836 90 E CB 1.794 31.613 29.700 0.198 0.000 1.068 90 E HN 0.723 nan 8.360 nan 0.000 0.401 91 A N 3.859 126.740 122.820 0.101 0.000 3.292 91 A HA 0.567 4.887 4.320 -0.000 0.000 0.231 91 A C -0.043 177.577 177.584 0.059 0.000 0.952 91 A CA 0.213 52.300 52.037 0.084 0.000 1.044 91 A CB 0.067 19.101 19.000 0.056 0.000 1.236 91 A HN 0.590 nan 8.150 nan 0.000 0.525 92 A N -0.046 122.816 122.820 0.071 0.000 3.515 92 A HA 0.800 5.120 4.320 -0.000 0.000 0.195 92 A C 1.044 178.655 177.584 0.044 0.000 1.726 92 A CA 0.496 52.561 52.037 0.048 0.000 1.882 92 A CB -0.665 18.366 19.000 0.052 0.000 1.472 92 A HN 1.069 nan 8.150 nan 0.000 0.476 93 S N -0.086 115.640 115.700 0.043 0.000 2.549 93 S HA 0.091 4.561 4.470 -0.000 0.000 0.286 93 S C 0.646 175.265 174.600 0.033 0.000 1.314 93 S CA -0.137 58.081 58.200 0.031 0.000 1.062 93 S CB 0.219 63.436 63.200 0.029 0.000 0.865 93 S HN 0.421 nan 8.310 nan 0.000 0.498 94 E N 3.202 123.410 120.200 0.015 0.000 2.299 94 E HA 0.036 4.386 4.350 -0.000 0.000 0.193 94 E C 0.428 177.022 176.600 -0.009 0.000 0.998 94 E CA 0.282 56.683 56.400 0.001 0.000 0.851 94 E CB 0.039 29.731 29.700 -0.014 0.000 0.795 94 E HN 0.602 nan 8.360 nan 0.000 0.492 95 R N 1.364 121.861 120.500 -0.004 0.000 2.583 95 R HA -0.076 4.264 4.340 -0.000 0.000 0.274 95 R C 1.552 177.848 176.300 -0.007 0.000 0.998 95 R CA -0.220 55.874 56.100 -0.009 0.000 1.081 95 R CB 0.486 30.785 30.300 -0.001 0.000 0.940 95 R HN 0.059 nan 8.270 nan 0.000 0.413 96 L N 3.404 124.614 121.223 -0.021 0.000 2.012 96 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 96 L C 1.756 178.620 176.870 -0.009 0.000 1.073 96 L CA 1.941 56.765 54.840 -0.027 0.000 0.748 96 L CB -0.243 41.792 42.059 -0.041 0.000 0.891 96 L HN 0.574 nan 8.230 nan 0.000 0.431 97 E N -0.374 119.825 120.200 -0.002 0.000 2.110 97 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 97 E C 2.344 178.960 176.600 0.026 0.000 0.988 97 E CA 1.455 57.860 56.400 0.008 0.000 0.804 97 E CB -0.672 29.031 29.700 0.006 0.000 0.745 97 E HN 0.475 nan 8.360 nan 0.000 0.458 98 V N 1.580 121.512 119.914 0.030 0.000 2.295 98 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 98 V C 2.327 178.470 176.094 0.082 0.000 1.049 98 V CA 1.895 64.224 62.300 0.049 0.000 1.024 98 V CB -0.457 31.392 31.823 0.043 0.000 0.648 98 V HN 0.200 nan 8.190 nan 0.000 0.447 99 K N -0.057 120.396 120.400 0.088 0.000 2.057 99 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 99 K C 2.296 179.009 176.600 0.189 0.000 1.049 99 K CA 1.489 57.873 56.287 0.161 0.000 0.931 99 K CB -0.212 32.335 32.500 0.079 0.000 0.714 99 K HN 0.405 nan 8.250 nan 0.000 0.440 100 K N 0.292 120.739 120.400 0.078 0.000 2.057 100 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 100 K C 2.167 178.829 176.600 0.104 0.000 1.049 100 K CA 1.319 57.645 56.287 0.065 0.000 0.931 100 K CB -0.134 32.376 32.500 0.017 0.000 0.714 100 K HN 0.132 nan 8.250 nan 0.000 0.440 101 A N 1.255 124.126 122.820 0.084 0.000 1.902 101 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 101 A C 2.056 179.687 177.584 0.078 0.000 1.181 101 A CA 1.153 53.231 52.037 0.069 0.000 0.623 101 A CB -0.519 18.511 19.000 0.050 0.000 0.818 101 A HN 0.219 nan 8.150 nan 0.000 0.443 102 L N -1.394 119.897 121.223 0.112 0.000 2.017 102 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 102 L C 2.159 179.044 176.870 0.024 0.000 1.073 102 L CA 1.840 56.721 54.840 0.069 0.000 0.745 102 L CB -0.974 41.145 42.059 0.101 0.000 0.894 102 L HN 0.398 nan 8.230 nan 0.000 0.432 103 F N -0.707 119.236 119.950 -0.012 0.000 2.325 103 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 103 F C 2.389 178.175 175.800 -0.024 0.000 1.090 103 F CA 0.885 58.874 58.000 -0.018 0.000 1.392 103 F CB -0.537 38.458 39.000 -0.009 0.000 1.053 103 F HN 0.182 nan 8.300 nan 0.000 0.521 104 A N -0.408 122.498 122.820 0.144 0.000 1.877 104 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 104 A C 2.107 179.696 177.584 0.008 0.000 1.186 104 A CA 1.825 53.901 52.037 0.065 0.000 0.620 104 A CB -0.862 18.170 19.000 0.052 0.000 0.822 104 A HN 0.427 nan 8.150 nan 0.000 0.443 105 Q N -0.631 119.156 119.800 -0.021 0.000 2.124 105 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 105 Q C 1.879 177.799 176.000 -0.134 0.000 0.977 105 Q CA 1.311 57.066 55.803 -0.080 0.000 0.850 105 Q CB -0.198 28.483 28.738 -0.096 0.000 0.901 105 Q HN 0.707 nan 8.270 nan 0.000 0.429 106 L N -0.349 120.779 121.223 -0.158 0.000 2.291 106 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 106 L C 2.348 179.149 176.870 -0.116 0.000 1.120 106 L CA 0.529 55.250 54.840 -0.198 0.000 0.799 106 L CB -0.390 41.481 42.059 -0.313 0.000 0.925 106 L HN 0.214 nan 8.230 nan 0.000 0.446 107 A N 0.613 123.400 122.820 -0.056 0.000 1.930 107 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 107 A C 2.247 179.817 177.584 -0.024 0.000 1.175 107 A CA 1.543 53.570 52.037 -0.016 0.000 0.627 107 A CB -0.234 18.778 19.000 0.020 0.000 0.815 107 A HN 0.534 nan 8.150 nan 0.000 0.443 108 E N -0.217 119.963 120.200 -0.034 0.000 2.086 108 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 108 E C 1.968 178.549 176.600 -0.032 0.000 0.975 108 E CA 1.094 57.480 56.400 -0.023 0.000 0.813 108 E CB -0.666 29.027 29.700 -0.011 0.000 0.768 108 E HN 0.309 nan 8.360 nan 0.000 0.457 109 V N 2.259 122.122 119.914 -0.085 0.000 2.287 109 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 109 V C 1.537 177.595 176.094 -0.060 0.000 1.053 109 V CA 1.212 63.448 62.300 -0.106 0.000 1.027 109 V CB -0.413 31.261 31.823 -0.248 0.000 0.646 109 V HN 0.341 nan 8.190 nan 0.000 0.447 110 C N 0.853 120.111 119.300 -0.070 0.000 2.382 110 C HA 0.466 4.926 4.460 -0.000 0.000 0.363 110 C C -1.935 173.041 174.990 -0.024 0.000 1.213 110 C CA -1.453 57.535 59.018 -0.049 0.000 2.363 110 C CB 0.309 28.010 27.740 -0.065 0.000 2.397 110 C HN 0.335 nan 8.230 nan 0.000 0.573 111 P HA 0.146 nan 4.420 nan 0.000 0.268 111 P C -2.310 174.988 177.300 -0.003 0.000 1.208 111 P CA -0.731 62.367 63.100 -0.004 0.000 0.777 111 P CB -0.165 31.535 31.700 0.001 0.000 0.875 112 P HA -0.066 nan 4.420 nan 0.000 0.242 112 P C 1.094 178.399 177.300 0.007 0.000 1.197 112 P CA 0.992 64.096 63.100 0.006 0.000 0.765 112 P CB -0.076 31.628 31.700 0.007 0.000 0.936 113 Q N -1.926 117.878 119.800 0.006 0.000 2.282 113 Q HA 0.101 4.441 4.340 -0.000 0.000 0.206 113 Q C -0.115 175.889 176.000 0.007 0.000 0.878 113 Q CA 0.463 56.270 55.803 0.006 0.000 0.944 113 Q CB -0.667 28.075 28.738 0.006 0.000 1.100 113 Q HN -0.023 nan 8.270 nan 0.000 0.509 114 T N 3.090 117.646 114.554 0.005 0.000 2.814 114 T HA 0.357 4.707 4.350 -0.000 0.000 0.297 114 T C 0.166 174.872 174.700 0.009 0.000 0.956 114 T CA -0.301 61.801 62.100 0.003 0.000 1.123 114 T CB 0.336 69.198 68.868 -0.009 0.000 0.902 114 T HN 0.229 nan 8.240 nan 0.000 0.528 115 L N 4.788 126.019 121.223 0.012 0.000 2.410 115 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 115 L C 0.012 176.905 176.870 0.038 0.000 1.152 115 L CA -0.237 54.617 54.840 0.024 0.000 0.855 115 L CB 0.037 42.103 42.059 0.011 0.000 1.129 115 L HN 0.388 nan 8.230 nan 0.000 0.463 116 L N 4.265 125.539 121.223 0.084 0.000 2.318 116 L HA 0.446 4.786 4.340 -0.000 0.000 0.277 116 L C 0.170 177.225 176.870 0.307 0.000 1.008 116 L CA -0.310 54.613 54.840 0.139 0.000 0.846 116 L CB 1.524 43.692 42.059 0.182 0.000 1.220 116 L HN 0.710 nan 8.230 nan 0.000 0.423 117 T N -1.300 113.404 114.554 0.250 0.000 2.930 117 T HA 0.626 4.976 4.350 -0.000 0.000 0.290 117 T C -0.313 174.614 174.700 0.378 0.000 1.052 117 T CA -0.727 61.533 62.100 0.267 0.000 1.017 117 T CB 2.491 71.451 68.868 0.153 0.000 1.137 117 T HN 0.334 nan 8.240 nan 0.000 0.511 118 T N 0.236 114.959 114.554 0.282 0.000 2.893 118 T HA 0.385 4.735 4.350 -0.000 0.000 0.291 118 T C 0.449 175.269 174.700 0.200 0.000 1.028 118 T CA -0.685 61.574 62.100 0.266 0.000 0.995 118 T CB 1.550 70.535 68.868 0.195 0.000 1.051 118 T HN 0.710 nan 8.240 nan 0.000 0.470 119 N N 2.426 121.257 118.700 0.218 0.000 2.461 119 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 119 N C 0.643 176.286 175.510 0.222 0.000 1.134 119 N CA 0.177 53.384 53.050 0.262 0.000 0.878 119 N CB 0.071 38.706 38.487 0.247 0.000 0.972 119 N HN 0.592 nan 8.380 nan 0.000 0.456 120 T N -1.002 113.631 114.554 0.133 0.000 2.937 120 T HA 0.041 4.391 4.350 -0.000 0.000 0.316 120 T C 0.915 175.592 174.700 -0.039 0.000 1.079 120 T CA 0.232 62.364 62.100 0.052 0.000 1.131 120 T CB 0.495 69.376 68.868 0.022 0.000 1.000 120 T HN 0.218 nan 8.240 nan 0.000 0.549 121 S N 1.797 117.380 115.700 -0.195 0.000 2.511 121 S HA 0.075 4.545 4.470 -0.000 0.000 0.214 121 S C 1.786 176.040 174.600 -0.577 0.000 0.997 121 S CA 0.245 58.143 58.200 -0.504 0.000 0.908 121 S CB 0.423 63.420 63.200 -0.338 0.000 0.803 121 S HN 0.841 nan 8.310 nan 0.000 0.504 122 S N -0.073 115.429 115.700 -0.329 0.000 2.589 122 S HA 0.401 4.871 4.470 -0.000 0.000 0.235 122 S C 0.180 174.638 174.600 -0.236 0.000 1.051 122 S CA -0.386 57.631 58.200 -0.305 0.000 0.978 122 S CB 0.284 63.362 63.200 -0.204 0.000 0.929 122 S HN 0.152 nan 8.310 nan 0.000 0.523 123 I N 2.582 123.060 120.570 -0.154 0.000 2.437 123 I HA 0.427 4.597 4.170 -0.000 0.000 0.298 123 I C 0.567 176.645 176.117 -0.066 0.000 0.984 123 I CA -0.690 60.544 61.300 -0.110 0.000 1.214 123 I CB 1.507 39.457 38.000 -0.084 0.000 1.365 123 I HN 0.177 nan 8.210 nan 0.000 0.469 124 S N 4.826 120.477 115.700 -0.082 0.000 2.537 124 S HA 0.124 4.594 4.470 -0.000 0.000 0.286 124 S C 1.461 176.025 174.600 -0.061 0.000 1.299 124 S CA -0.536 57.635 58.200 -0.050 0.000 1.067 124 S CB 0.303 63.457 63.200 -0.077 0.000 0.864 124 S HN 0.348 nan 8.310 nan 0.000 0.494 125 I N 5.164 125.710 120.570 -0.040 0.000 2.252 125 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 125 I C 2.519 178.573 176.117 -0.105 0.000 1.102 125 I CA 1.354 62.596 61.300 -0.097 0.000 1.385 125 I CB -2.271 35.678 38.000 -0.086 0.000 1.064 125 I HN 0.638 nan 8.210 nan 0.000 0.414 126 T N 1.610 116.126 114.554 -0.064 0.000 2.699 126 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 126 T C 2.013 176.674 174.700 -0.065 0.000 1.036 126 T CA 1.766 63.834 62.100 -0.053 0.000 1.147 126 T CB -0.353 68.497 68.868 -0.031 0.000 0.862 126 T HN 0.468 nan 8.240 nan 0.000 0.446 127 A N 0.578 123.353 122.820 -0.074 0.000 1.968 127 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 127 A C 2.269 179.792 177.584 -0.101 0.000 1.169 127 A CA 0.780 52.773 52.037 -0.074 0.000 0.638 127 A CB -0.617 18.340 19.000 -0.071 0.000 0.812 127 A HN 0.512 nan 8.150 nan 0.000 0.446 128 I N -0.271 120.204 120.570 -0.159 0.000 2.252 128 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 128 I C 2.622 178.603 176.117 -0.227 0.000 1.102 128 I CA 1.223 62.364 61.300 -0.264 0.000 1.385 128 I CB -0.114 37.601 38.000 -0.476 0.000 1.064 128 I HN 0.316 nan 8.210 nan 0.000 0.414 129 A N 0.277 122.993 122.820 -0.174 0.000 2.238 129 A HA 0.291 4.611 4.320 -0.000 0.000 0.208 129 A C 2.328 179.885 177.584 -0.045 0.000 1.177 129 A CA 0.860 52.838 52.037 -0.099 0.000 0.804 129 A CB -0.491 18.461 19.000 -0.079 0.000 0.823 129 A HN 0.376 nan 8.150 nan 0.000 0.482 130 A N 0.663 123.455 122.820 -0.048 0.000 1.865 130 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 130 A C 1.751 179.329 177.584 -0.010 0.000 1.191 130 A CA 1.642 53.663 52.037 -0.026 0.000 0.623 130 A CB -0.316 18.668 19.000 -0.028 0.000 0.826 130 A HN 0.568 nan 8.150 nan 0.000 0.444 131 E N -0.952 119.246 120.200 -0.003 0.000 2.481 131 E HA 0.211 4.561 4.350 -0.000 0.000 0.198 131 E C 0.058 176.669 176.600 0.019 0.000 1.027 131 E CA -0.280 56.125 56.400 0.008 0.000 0.900 131 E CB 0.028 29.733 29.700 0.009 0.000 0.993 131 E HN 0.796 nan 8.360 nan 0.000 0.482 132 I N -1.882 118.704 120.570 0.027 0.000 2.677 132 I HA 0.218 4.388 4.170 -0.000 0.000 0.305 132 I C 1.171 177.310 176.117 0.036 0.000 0.988 132 I CA -0.721 60.607 61.300 0.047 0.000 1.260 132 I CB 1.253 39.309 38.000 0.095 0.000 1.410 132 I HN -0.414 nan 8.210 nan 0.000 0.523 133 K N 2.957 123.379 120.400 0.036 0.000 1.977 133 K HA -0.110 4.210 4.320 -0.000 0.000 0.218 133 K C 0.192 176.805 176.600 0.022 0.000 1.051 133 K CA 2.003 58.305 56.287 0.025 0.000 0.953 133 K CB -0.651 31.861 32.500 0.020 0.000 0.727 133 K HN 0.806 nan 8.250 nan 0.000 0.445 134 N N 0.329 119.045 118.700 0.027 0.000 2.816 134 N HA 0.163 4.903 4.740 -0.000 0.000 0.236 134 N C -2.242 173.284 175.510 0.027 0.000 1.076 134 N CA -1.290 51.773 53.050 0.022 0.000 0.902 134 N CB 1.463 39.962 38.487 0.019 0.000 1.149 134 N HN 0.054 nan 8.380 nan 0.000 0.506 135 P HA -0.160 nan 4.420 nan 0.000 0.225 135 P C 0.314 177.622 177.300 0.013 0.000 1.148 135 P CA 1.052 64.162 63.100 0.017 0.000 0.779 135 P CB 0.352 32.055 31.700 0.006 0.000 0.780 136 E N 1.008 121.215 120.200 0.012 0.000 2.268 136 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 136 E C 1.409 178.014 176.600 0.008 0.000 0.995 136 E CA 0.724 57.128 56.400 0.007 0.000 0.836 136 E CB -0.638 29.065 29.700 0.005 0.000 0.763 136 E HN 0.308 nan 8.360 nan 0.000 0.491 137 R N 0.497 121.009 120.500 0.020 0.000 2.393 137 R HA 0.240 4.580 4.340 -0.000 0.000 0.244 137 R C -0.273 176.056 176.300 0.048 0.000 0.920 137 R CA -0.214 55.901 56.100 0.025 0.000 1.076 137 R CB -0.455 29.859 30.300 0.024 0.000 1.119 137 R HN -0.053 nan 8.270 nan 0.000 0.524 138 V N 0.635 120.579 119.914 0.050 0.000 2.546 138 V HA 0.804 4.924 4.120 -0.000 0.000 0.284 138 V C 0.339 176.437 176.094 0.007 0.000 1.050 138 V CA -0.164 62.174 62.300 0.064 0.000 0.981 138 V CB 0.922 32.763 31.823 0.029 0.000 0.990 138 V HN 0.495 nan 8.190 nan 0.000 0.474 139 A N 3.238 126.064 122.820 0.009 0.000 2.586 139 A HA 0.861 5.181 4.320 -0.000 0.000 0.290 139 A C -0.247 177.312 177.584 -0.040 0.000 1.086 139 A CA -0.155 51.858 52.037 -0.040 0.000 0.665 139 A CB 1.341 20.314 19.000 -0.045 0.000 1.279 139 A HN 1.153 nan 8.150 nan 0.000 0.423 140 G N -0.693 108.045 108.800 -0.104 0.000 2.356 140 G HA2 0.590 4.550 3.960 -0.000 0.000 0.322 140 G HA3 0.590 4.550 3.960 -0.000 0.000 0.322 140 G C -1.383 173.466 174.900 -0.084 0.000 1.125 140 G CA -0.293 44.745 45.100 -0.103 0.000 0.885 140 G HN 0.916 nan 8.290 nan 0.000 0.467 141 L N 2.601 123.832 121.223 0.014 0.000 2.417 141 L HA 0.322 4.662 4.340 -0.000 0.000 0.259 141 L C -0.271 176.645 176.870 0.077 0.000 1.023 141 L CA -0.700 54.136 54.840 -0.006 0.000 0.901 141 L CB 0.790 42.901 42.059 0.087 0.000 1.227 141 L HN 0.720 nan 8.230 nan 0.000 0.454 142 H N 4.367 123.346 119.070 -0.152 0.000 2.685 142 H HA 0.320 4.876 4.556 0.000 0.000 0.286 142 H C -0.945 174.289 175.328 -0.157 0.000 1.102 142 H CA -0.500 55.500 56.048 -0.079 0.000 1.254 142 H CB 0.476 30.204 29.762 -0.056 0.000 1.397 142 H HN 0.362 nan 8.280 nan 0.000 0.473 143 F N 3.791 123.598 119.950 -0.238 0.000 2.380 143 F HA 0.311 4.838 4.527 -0.000 0.000 0.319 143 F C -0.214 175.300 175.800 -0.476 0.000 1.113 143 F CA -0.416 57.486 58.000 -0.165 0.000 1.056 143 F CB 0.721 39.723 39.000 0.003 0.000 1.289 143 F HN 0.383 nan 8.300 nan 0.000 0.515 144 F N 0.031 120.014 119.950 0.054 0.000 2.532 144 F HA 0.282 4.809 4.527 -0.000 0.000 0.321 144 F C 0.149 175.987 175.800 0.063 0.000 1.089 144 F CA -1.112 56.887 58.000 -0.002 0.000 0.926 144 F CB 1.300 40.277 39.000 -0.037 0.000 1.168 144 F HN 0.346 nan 8.300 nan 0.000 0.459 145 N N 3.050 121.864 118.700 0.189 0.000 2.468 145 N HA 0.216 4.956 4.740 -0.000 0.000 0.265 145 N C -2.535 173.053 175.510 0.131 0.000 1.199 145 N CA -1.181 51.946 53.050 0.129 0.000 0.928 145 N CB 0.653 39.197 38.487 0.095 0.000 1.059 145 N HN 0.188 nan 8.380 nan 0.000 0.467 146 P HA 0.175 nan 4.420 nan 0.000 0.292 146 P C -0.118 177.240 177.300 0.097 0.000 1.287 146 P CA -0.412 62.733 63.100 0.075 0.000 0.800 146 P CB 1.482 33.210 31.700 0.048 0.000 0.945 147 A N 6.044 128.914 122.820 0.085 0.000 1.927 147 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 147 A C -0.525 177.125 177.584 0.110 0.000 1.185 147 A CA 1.928 54.032 52.037 0.112 0.000 0.639 147 A CB -2.315 16.660 19.000 -0.042 0.000 0.820 147 A HN 0.459 nan 8.150 nan 0.000 0.451 148 P HA -0.018 nan 4.420 nan 0.000 0.223 148 P C 1.348 178.696 177.300 0.080 0.000 1.151 148 P CA 0.940 64.074 63.100 0.058 0.000 0.787 148 P CB 0.060 31.770 31.700 0.016 0.000 0.788 149 V N -1.796 118.165 119.914 0.077 0.000 2.436 149 V HA 0.031 4.151 4.120 -0.000 0.000 0.240 149 V C 1.289 177.432 176.094 0.082 0.000 1.040 149 V CA 0.868 63.210 62.300 0.069 0.000 1.052 149 V CB -0.767 31.087 31.823 0.052 0.000 0.707 149 V HN 0.034 nan 8.190 nan 0.000 0.469 150 M N 1.205 120.867 119.600 0.105 0.000 2.303 150 M HA 0.087 4.566 4.480 -0.000 0.000 0.350 150 M C 1.109 177.471 176.300 0.103 0.000 1.518 150 M CA 0.641 55.999 55.300 0.097 0.000 1.070 150 M CB -0.007 32.684 32.600 0.152 0.000 1.910 150 M HN 0.224 nan 8.290 nan 0.000 0.458 151 K N 1.692 122.115 120.400 0.039 0.000 2.288 151 K HA 0.003 4.323 4.320 -0.000 0.000 0.201 151 K C 0.395 176.998 176.600 0.006 0.000 1.048 151 K CA 0.508 56.814 56.287 0.032 0.000 0.956 151 K CB 0.135 32.636 32.500 0.001 0.000 0.746 151 K HN 0.403 nan 8.250 nan 0.000 0.461 152 L N 1.077 122.274 121.223 -0.044 0.000 2.326 152 L HA 0.192 4.532 4.340 -0.000 0.000 0.278 152 L C -0.716 176.161 176.870 0.012 0.000 1.092 152 L CA -0.127 54.660 54.840 -0.087 0.000 0.810 152 L CB 1.500 43.383 42.059 -0.295 0.000 1.153 152 L HN -0.227 nan 8.230 nan 0.000 0.439 153 V N 4.736 124.605 119.914 -0.074 0.000 2.709 153 V HA 0.523 4.643 4.120 -0.000 0.000 0.308 153 V C -0.732 175.315 176.094 -0.077 0.000 1.062 153 V CA -0.478 61.724 62.300 -0.164 0.000 0.901 153 V CB 2.052 33.498 31.823 -0.627 0.000 1.003 153 V HN 0.874 nan 8.190 nan 0.000 0.425 154 E N 4.569 124.779 120.200 0.016 0.000 2.130 154 E HA 0.440 4.790 4.350 -0.000 0.000 0.284 154 E C -0.964 175.552 176.600 -0.140 0.000 1.018 154 E CA -0.529 55.873 56.400 0.002 0.000 0.817 154 E CB 2.004 31.806 29.700 0.170 0.000 1.078 154 E HN 0.620 nan 8.360 nan 0.000 0.396 155 V N 4.796 124.606 119.914 -0.172 0.000 2.334 155 V HA 0.119 4.239 4.120 -0.000 0.000 0.267 155 V C -0.117 175.832 176.094 -0.243 0.000 1.040 155 V CA -0.578 61.603 62.300 -0.198 0.000 0.866 155 V CB 0.973 32.692 31.823 -0.174 0.000 1.019 155 V HN 0.396 nan 8.190 nan 0.000 0.468 156 V N 4.191 123.930 119.914 -0.292 0.000 2.347 156 V HA 0.368 4.488 4.120 -0.000 0.000 0.280 156 V C 0.414 176.363 176.094 -0.241 0.000 1.021 156 V CA -0.346 61.729 62.300 -0.375 0.000 0.847 156 V CB 1.610 33.027 31.823 -0.677 0.000 0.990 156 V HN 0.819 nan 8.190 nan 0.000 0.444 157 S N 3.593 119.169 115.700 -0.207 0.000 2.489 157 S HA 0.552 5.022 4.470 -0.000 0.000 0.277 157 S C 0.725 175.303 174.600 -0.037 0.000 1.230 157 S CA -0.198 57.935 58.200 -0.112 0.000 1.053 157 S CB 1.320 64.454 63.200 -0.110 0.000 0.955 157 S HN 1.018 nan 8.310 nan 0.000 0.488 158 G N 1.142 109.923 108.800 -0.032 0.000 2.588 158 G HA2 0.361 4.321 3.960 -0.000 0.000 0.281 158 G HA3 0.361 4.321 3.960 -0.000 0.000 0.281 158 G C 0.917 175.832 174.900 0.026 0.000 1.236 158 G CA -0.655 44.440 45.100 -0.007 0.000 0.969 158 G HN 0.628 nan 8.290 nan 0.000 0.504 159 L N 0.494 121.728 121.223 0.018 0.000 2.021 159 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 159 L C 2.813 179.693 176.870 0.017 0.000 1.074 159 L CA 3.026 57.877 54.840 0.019 0.000 0.760 159 L CB -0.453 41.608 42.059 0.003 0.000 0.889 159 L HN 0.529 nan 8.230 nan 0.000 0.433 160 A N -2.347 120.476 122.820 0.005 0.000 2.132 160 A HA 0.090 4.410 4.320 -0.000 0.000 0.213 160 A C 1.149 178.735 177.584 0.003 0.000 1.154 160 A CA 0.555 52.594 52.037 0.004 0.000 0.753 160 A CB -0.854 18.145 19.000 -0.001 0.000 0.826 160 A HN 0.429 nan 8.150 nan 0.000 0.469 161 T N 2.487 117.041 114.554 0.000 0.000 2.792 161 T HA 0.363 4.713 4.350 -0.000 0.000 0.286 161 T C 0.606 175.302 174.700 -0.007 0.000 0.970 161 T CA 0.412 62.506 62.100 -0.009 0.000 1.187 161 T CB 0.299 69.151 68.868 -0.027 0.000 0.915 161 T HN 0.529 nan 8.240 nan 0.000 0.529 162 A N 3.219 126.034 122.820 -0.008 0.000 2.466 162 A HA 0.553 4.873 4.320 -0.000 0.000 0.238 162 A C 1.659 179.231 177.584 -0.019 0.000 1.074 162 A CA -0.056 51.976 52.037 -0.009 0.000 0.774 162 A CB -0.033 18.962 19.000 -0.007 0.000 1.015 162 A HN 1.009 nan 8.150 nan 0.000 0.498 163 A N 0.935 123.745 122.820 -0.016 0.000 1.968 163 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 163 A C 1.773 179.338 177.584 -0.031 0.000 1.169 163 A CA 1.569 53.592 52.037 -0.025 0.000 0.638 163 A CB -0.645 18.346 19.000 -0.015 0.000 0.812 163 A HN 0.978 nan 8.150 nan 0.000 0.446 164 E N -0.164 120.022 120.200 -0.024 0.000 2.110 164 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 164 E C 1.603 178.182 176.600 -0.035 0.000 0.988 164 E CA 1.408 57.792 56.400 -0.026 0.000 0.804 164 E CB -0.665 29.024 29.700 -0.018 0.000 0.745 164 E HN 0.231 nan 8.360 nan 0.000 0.458 165 V N 1.471 121.364 119.914 -0.033 0.000 2.287 165 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 165 V C 2.462 178.520 176.094 -0.061 0.000 1.053 165 V CA 1.612 63.888 62.300 -0.040 0.000 1.027 165 V CB -0.341 31.465 31.823 -0.029 0.000 0.646 165 V HN 0.222 nan 8.190 nan 0.000 0.447 166 V N -0.258 119.616 119.914 -0.066 0.000 2.287 166 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 166 V C 2.626 178.665 176.094 -0.091 0.000 1.053 166 V CA 1.969 64.216 62.300 -0.088 0.000 1.027 166 V CB -0.628 31.140 31.823 -0.092 0.000 0.646 166 V HN 0.554 nan 8.190 nan 0.000 0.447 167 E N -0.186 119.970 120.200 -0.073 0.000 2.077 167 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 167 E C 2.275 178.825 176.600 -0.082 0.000 0.989 167 E CA 1.283 57.640 56.400 -0.071 0.000 0.800 167 E CB -0.309 29.360 29.700 -0.051 0.000 0.746 167 E HN 0.684 nan 8.360 nan 0.000 0.452 168 Q N 0.269 120.023 119.800 -0.077 0.000 2.030 168 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 168 Q C 2.515 178.434 176.000 -0.134 0.000 0.986 168 Q CA 1.128 56.879 55.803 -0.087 0.000 0.843 168 Q CB -0.179 28.520 28.738 -0.065 0.000 0.904 168 Q HN 0.262 nan 8.270 nan 0.000 0.420 169 L N -0.324 120.815 121.223 -0.139 0.000 2.083 169 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 169 L C 2.625 179.358 176.870 -0.228 0.000 1.083 169 L CA 0.708 55.433 54.840 -0.192 0.000 0.752 169 L CB -0.511 41.455 42.059 -0.155 0.000 0.899 169 L HN 0.401 nan 8.230 nan 0.000 0.433 170 C N -0.228 118.966 119.300 -0.176 0.000 2.436 170 C HA -0.187 4.273 4.460 -0.000 0.000 0.277 170 C C 2.786 177.672 174.990 -0.173 0.000 1.241 170 C CA 1.014 59.933 59.018 -0.165 0.000 1.721 170 C CB -0.663 27.004 27.740 -0.122 0.000 2.043 170 C HN 0.549 nan 8.230 nan 0.000 0.472 171 E N 0.328 120.437 120.200 -0.151 0.000 2.085 171 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 171 E C 2.011 178.492 176.600 -0.200 0.000 0.994 171 E CA 1.179 57.498 56.400 -0.136 0.000 0.801 171 E CB -0.194 29.449 29.700 -0.096 0.000 0.743 171 E HN 0.528 nan 8.360 nan 0.000 0.453 172 L N 0.677 121.724 121.223 -0.294 0.000 2.027 172 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 172 L C 2.554 178.944 176.870 -0.799 0.000 1.074 172 L CA 2.519 57.054 54.840 -0.508 0.000 0.745 172 L CB -0.832 40.882 42.059 -0.575 0.000 0.898 172 L HN 0.307 nan 8.230 nan 0.000 0.433 173 T N -2.925 111.251 114.554 -0.631 0.000 2.867 173 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 173 T C 2.050 176.621 174.700 -0.216 0.000 1.057 173 T CA 1.345 63.170 62.100 -0.457 0.000 1.136 173 T CB -0.807 67.873 68.868 -0.314 0.000 0.874 173 T HN 0.353 nan 8.240 nan 0.000 0.466 174 L N 2.035 123.146 121.223 -0.186 0.000 1.990 174 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 174 L C 3.228 180.061 176.870 -0.062 0.000 1.072 174 L CA 1.951 56.733 54.840 -0.096 0.000 0.755 174 L CB -0.827 41.183 42.059 -0.082 0.000 0.889 174 L HN 0.529 nan 8.230 nan 0.000 0.432 175 S N -1.409 114.234 115.700 -0.096 0.000 2.469 175 S HA -0.191 4.279 4.470 -0.000 0.000 0.238 175 S C 1.302 175.952 174.600 0.084 0.000 0.998 175 S CA 0.634 58.840 58.200 0.010 0.000 0.957 175 S CB -0.488 62.733 63.200 0.035 0.000 0.764 175 S HN 0.459 nan 8.310 nan 0.000 0.514 176 W N 1.827 122.961 121.300 -0.277 0.000 3.405 176 W HA 0.536 5.196 4.660 -0.000 0.000 0.300 176 W C 1.642 177.884 176.519 -0.462 0.000 1.286 176 W CA -0.897 56.008 57.345 -0.733 0.000 1.762 176 W CB -1.400 27.821 29.460 -0.398 0.000 1.087 176 W HN 0.505 nan 8.180 nan 0.000 0.703 177 G N 1.016 109.832 108.800 0.027 0.000 2.160 177 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 177 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 177 G C 0.615 175.568 174.900 0.089 0.000 1.008 177 G CA 0.259 45.419 45.100 0.101 0.000 0.724 177 G HN 0.031 nan 8.290 nan 0.000 0.514 178 K N -0.786 119.656 120.400 0.070 0.000 2.240 178 K HA 0.684 5.004 4.320 -0.000 0.000 0.237 178 K C 0.084 176.678 176.600 -0.010 0.000 1.027 178 K CA -0.909 55.407 56.287 0.049 0.000 0.937 178 K CB 0.878 33.414 32.500 0.062 0.000 1.171 178 K HN 0.189 nan 8.250 nan 0.000 0.479 179 Q N 1.849 121.630 119.800 -0.032 0.000 2.401 179 Q HA 0.314 4.654 4.340 -0.000 0.000 0.260 179 Q C -2.545 173.407 176.000 -0.080 0.000 1.034 179 Q CA -2.136 53.635 55.803 -0.054 0.000 0.737 179 Q CB 1.344 30.053 28.738 -0.048 0.000 1.227 179 Q HN 0.158 nan 8.270 nan 0.000 0.488 180 P HA 0.214 nan 4.420 nan 0.000 0.278 180 P C -0.893 176.355 177.300 -0.087 0.000 1.238 180 P CA -0.351 62.679 63.100 -0.116 0.000 0.794 180 P CB 1.224 32.840 31.700 -0.140 0.000 0.955 181 V N 0.425 120.291 119.914 -0.080 0.000 2.789 181 V HA 0.664 4.784 4.120 -0.000 0.000 0.311 181 V C -0.246 175.799 176.094 -0.081 0.000 1.073 181 V CA -1.222 61.042 62.300 -0.061 0.000 0.921 181 V CB 2.061 33.866 31.823 -0.030 0.000 1.009 181 V HN 0.348 nan 8.190 nan 0.000 0.426 182 R N 2.326 122.773 120.500 -0.088 0.000 2.428 182 R HA 0.898 5.238 4.340 -0.000 0.000 0.294 182 R C -0.350 175.869 176.300 -0.134 0.000 1.000 182 R CA -0.009 56.012 56.100 -0.133 0.000 0.960 182 R CB 1.524 31.738 30.300 -0.143 0.000 1.076 182 R HN 1.194 nan 8.270 nan 0.000 0.475 183 C N -0.807 118.374 119.300 -0.199 0.000 3.285 183 C HA 0.516 4.976 4.460 -0.000 0.000 0.325 183 C C -0.437 174.395 174.990 -0.264 0.000 1.304 183 C CA -1.122 57.795 59.018 -0.169 0.000 1.319 183 C CB 1.336 29.055 27.740 -0.035 0.000 1.640 183 C HN 0.783 nan 8.230 nan 0.000 0.477 184 H N 0.332 119.389 119.070 -0.022 0.000 2.509 184 H HA 0.317 4.873 4.556 0.000 0.000 0.359 184 H C 0.473 175.795 175.328 -0.011 0.000 1.253 184 H CA 0.270 56.303 56.048 -0.025 0.000 1.373 184 H CB 1.487 31.255 29.762 0.010 0.000 1.555 184 H HN 0.803 nan 8.280 nan 0.000 0.586 185 S N 1.527 117.303 115.700 0.127 0.000 4.175 185 S HA 0.054 4.524 4.470 -0.000 0.000 0.193 185 S C 0.001 174.687 174.600 0.144 0.000 1.373 185 S CA -0.571 57.707 58.200 0.130 0.000 0.908 185 S CB -1.305 61.930 63.200 0.059 0.000 1.547 185 S HN 0.648 nan 8.310 nan 0.000 0.440 186 T N 1.106 115.773 114.554 0.189 0.000 2.945 186 T HA 0.593 4.943 4.350 -0.000 0.000 0.286 186 T C -3.121 171.547 174.700 -0.055 0.000 1.025 186 T CA -2.593 59.529 62.100 0.037 0.000 1.039 186 T CB 1.049 69.976 68.868 0.099 0.000 1.068 186 T HN 0.055 nan 8.240 nan 0.000 0.497 187 P HA 0.255 nan 4.420 nan 0.000 0.261 187 P C 1.129 178.251 177.300 -0.297 0.000 1.183 187 P CA 1.194 64.004 63.100 -0.484 0.000 0.761 187 P CB -0.018 31.131 31.700 -0.919 0.000 0.785 188 G N 2.483 111.026 108.800 -0.428 0.000 2.179 188 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 188 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 188 G C 0.528 175.337 174.900 -0.152 0.000 0.977 188 G CA 0.015 44.925 45.100 -0.318 0.000 0.641 188 G HN 0.357 nan 8.290 nan 0.000 0.533 189 F N -1.552 118.393 119.950 -0.008 0.000 2.958 189 F HA -0.347 4.180 4.527 -0.000 0.000 0.240 189 F C 2.378 178.238 175.800 0.101 0.000 1.487 189 F CA 1.706 59.729 58.000 0.040 0.000 1.873 189 F CB -1.735 37.286 39.000 0.036 0.000 0.531 189 F HN 0.195 nan 8.300 nan 0.000 0.277 190 I N -1.492 119.295 120.570 0.361 0.000 2.726 190 I HA -0.058 4.112 4.170 -0.000 0.000 0.243 190 I C 1.965 178.221 176.117 0.232 0.000 1.082 190 I CA 0.813 62.262 61.300 0.247 0.000 1.447 190 I CB -0.577 37.535 38.000 0.187 0.000 1.250 190 I HN 0.276 nan 8.210 nan 0.000 0.453 191 V N 1.593 121.668 119.914 0.269 0.000 2.255 191 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 191 V C 2.117 178.353 176.094 0.236 0.000 1.051 191 V CA 2.050 64.484 62.300 0.223 0.000 1.018 191 V CB -0.887 31.109 31.823 0.290 0.000 0.641 191 V HN 0.422 nan 8.190 nan 0.000 0.445 192 N N -0.411 118.437 118.700 0.246 0.000 2.309 192 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 192 N C 1.925 177.521 175.510 0.143 0.000 1.018 192 N CA 1.048 54.202 53.050 0.174 0.000 0.876 192 N CB -0.365 38.148 38.487 0.042 0.000 0.972 192 N HN 0.461 nan 8.380 nan 0.000 0.434 193 R N 0.501 121.086 120.500 0.142 0.000 2.057 193 R HA 0.042 4.382 4.340 -0.000 0.000 0.224 193 R C 1.615 178.088 176.300 0.288 0.000 1.136 193 R CA 0.902 57.096 56.100 0.158 0.000 0.968 193 R CB -0.143 30.269 30.300 0.188 0.000 0.863 193 R HN -0.040 nan 8.270 nan 0.000 0.433 194 V N 1.352 121.422 119.914 0.260 0.000 2.548 194 V HA -0.086 4.034 4.120 -0.000 0.000 0.249 194 V C 2.411 178.683 176.094 0.297 0.000 1.055 194 V CA 1.555 64.017 62.300 0.270 0.000 1.065 194 V CB -0.417 31.541 31.823 0.225 0.000 0.681 194 V HN 0.471 nan 8.190 nan 0.000 0.462 195 A N -0.148 122.841 122.820 0.282 0.000 2.067 195 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 195 A C 2.281 180.055 177.584 0.318 0.000 1.158 195 A CA 0.920 53.145 52.037 0.313 0.000 0.661 195 A CB -0.383 18.804 19.000 0.312 0.000 0.801 195 A HN 0.356 nan 8.150 nan 0.000 0.452 196 R N 0.022 120.755 120.500 0.388 0.000 2.113 196 R HA -0.145 4.195 4.340 -0.000 0.000 0.244 196 R C -0.751 175.752 176.300 0.338 0.000 1.142 196 R CA 1.917 58.287 56.100 0.449 0.000 0.953 196 R CB -2.053 28.574 30.300 0.545 0.000 0.860 196 R HN 0.481 nan 8.270 nan 0.000 0.438 197 P HA -0.100 nan 4.420 nan 0.000 0.233 197 P C 1.073 178.419 177.300 0.077 0.000 1.167 197 P CA 0.682 63.867 63.100 0.140 0.000 0.770 197 P CB -0.218 31.539 31.700 0.094 0.000 0.837 198 Y N 0.452 120.662 120.300 -0.150 0.000 2.181 198 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 198 Y C 2.111 177.774 175.900 -0.394 0.000 1.146 198 Y CA 1.497 59.355 58.100 -0.402 0.000 1.164 198 Y CB -1.004 37.097 38.460 -0.597 0.000 0.982 198 Y HN -0.113 nan 8.280 nan 0.000 0.515 199 Y N -1.089 119.222 120.300 0.018 0.000 2.269 199 Y HA -0.123 4.427 4.550 -0.000 0.000 0.294 199 Y C 2.880 178.788 175.900 0.013 0.000 1.120 199 Y CA 1.018 59.087 58.100 -0.052 0.000 1.159 199 Y CB -0.672 37.910 38.460 0.204 0.000 1.024 199 Y HN 0.152 nan 8.280 nan 0.000 0.532 200 S N -0.335 115.546 115.700 0.302 0.000 2.436 200 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 200 S C 1.612 176.321 174.600 0.182 0.000 1.014 200 S CA 0.771 59.166 58.200 0.326 0.000 0.950 200 S CB -0.157 63.196 63.200 0.255 0.000 0.784 200 S HN 0.297 nan 8.310 nan 0.000 0.504 201 E N 2.131 122.378 120.200 0.079 0.000 2.110 201 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 201 E C 2.404 179.014 176.600 0.017 0.000 0.988 201 E CA 1.234 57.677 56.400 0.071 0.000 0.804 201 E CB -0.771 28.965 29.700 0.060 0.000 0.745 201 E HN 0.670 nan 8.360 nan 0.000 0.458 202 A N 0.496 123.233 122.820 -0.139 0.000 1.877 202 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 202 A C 2.119 179.583 177.584 -0.200 0.000 1.186 202 A CA 1.390 53.269 52.037 -0.263 0.000 0.620 202 A CB -1.263 17.438 19.000 -0.497 0.000 0.822 202 A HN 0.337 nan 8.150 nan 0.000 0.443 203 W N -0.432 120.868 121.300 -0.000 0.000 2.342 203 W HA -0.150 4.510 4.660 0.000 0.000 0.297 203 W C 2.663 179.182 176.519 -0.001 0.000 1.213 203 W CA 1.239 58.585 57.345 0.003 0.000 1.251 203 W CB -0.171 29.307 29.460 0.030 0.000 1.136 203 W HN 0.239 nan 8.180 nan 0.000 0.526 204 R N 0.013 120.653 120.500 0.234 0.000 2.075 204 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 204 R C 2.400 178.755 176.300 0.091 0.000 1.126 204 R CA 1.444 57.645 56.100 0.169 0.000 0.963 204 R CB -0.814 29.596 30.300 0.182 0.000 0.858 204 R HN 0.176 nan 8.270 nan 0.000 0.435 205 A N 1.130 123.959 122.820 0.016 0.000 1.877 205 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 205 A C 2.019 179.498 177.584 -0.175 0.000 1.186 205 A CA 1.071 52.972 52.037 -0.226 0.000 0.620 205 A CB -0.545 18.336 19.000 -0.200 0.000 0.822 205 A HN 0.192 nan 8.150 nan 0.000 0.443 206 L N 0.131 121.310 121.223 -0.074 0.000 2.042 206 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 206 L C 2.267 179.145 176.870 0.013 0.000 1.076 206 L CA 2.555 57.377 54.840 -0.029 0.000 0.749 206 L CB -0.819 41.257 42.059 0.028 0.000 0.893 206 L HN 0.636 nan 8.230 nan 0.000 0.432 207 E N -0.837 119.399 120.200 0.059 0.000 2.204 207 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 207 E C 1.448 178.063 176.600 0.026 0.000 0.989 207 E CA 0.947 57.381 56.400 0.056 0.000 0.824 207 E CB 0.086 29.835 29.700 0.081 0.000 0.756 207 E HN 0.589 nan 8.360 nan 0.000 0.477 208 E N -0.068 120.129 120.200 -0.006 0.000 2.463 208 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 208 E C -0.473 176.090 176.600 -0.062 0.000 1.041 208 E CA -0.092 56.300 56.400 -0.013 0.000 0.879 208 E CB 0.404 30.119 29.700 0.026 0.000 0.997 208 E HN 0.204 nan 8.360 nan 0.000 0.478 209 Q N -0.584 119.170 119.800 -0.077 0.000 2.453 209 Q HA -0.215 4.125 4.340 -0.000 0.000 0.294 209 Q C 0.950 176.883 176.000 -0.112 0.000 1.295 209 Q CA 0.110 55.867 55.803 -0.076 0.000 0.853 209 Q CB -1.821 26.894 28.738 -0.038 0.000 1.193 209 Q HN 0.188 nan 8.270 nan 0.000 0.461 210 V N -1.265 118.523 119.914 -0.210 0.000 2.343 210 V HA -0.086 4.034 4.120 -0.000 0.000 0.247 210 V C 0.990 176.996 176.094 -0.147 0.000 1.051 210 V CA 2.002 64.143 62.300 -0.265 0.000 1.036 210 V CB -0.125 31.345 31.823 -0.588 0.000 0.654 210 V HN 0.630 nan 8.190 nan 0.000 0.451 211 A N -1.735 121.007 122.820 -0.130 0.000 2.601 211 A HA 0.795 5.115 4.320 -0.000 0.000 0.291 211 A C -0.469 177.071 177.584 -0.074 0.000 1.075 211 A CA -0.119 51.870 52.037 -0.080 0.000 0.671 211 A CB 0.786 19.746 19.000 -0.067 0.000 1.277 211 A HN 0.570 nan 8.150 nan 0.000 0.417 212 A N 1.366 124.157 122.820 -0.049 0.000 2.466 212 A HA 0.545 4.865 4.320 -0.000 0.000 0.238 212 A C -1.223 176.332 177.584 -0.048 0.000 1.074 212 A CA -0.414 51.597 52.037 -0.044 0.000 0.774 212 A CB -0.409 18.581 19.000 -0.018 0.000 1.015 212 A HN 0.551 nan 8.150 nan 0.000 0.498 213 P HA -0.158 nan 4.420 nan 0.000 0.216 213 P C 0.688 178.032 177.300 0.074 0.000 1.150 213 P CA 1.571 64.622 63.100 -0.082 0.000 0.837 213 P CB 0.062 31.592 31.700 -0.284 0.000 0.786 214 E N -0.330 119.958 120.200 0.147 0.000 2.153 214 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 214 E C 2.052 178.678 176.600 0.044 0.000 0.988 214 E CA 0.862 57.340 56.400 0.129 0.000 0.811 214 E CB -1.142 28.611 29.700 0.088 0.000 0.746 214 E HN 0.091 nan 8.360 nan 0.000 0.466 215 V N 0.846 120.772 119.914 0.020 0.000 2.407 215 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 215 V C 2.122 178.216 176.094 -0.001 0.000 1.041 215 V CA 1.266 63.568 62.300 0.005 0.000 1.040 215 V CB -0.388 31.432 31.823 -0.005 0.000 0.671 215 V HN 0.245 nan 8.190 nan 0.000 0.455 216 I N 0.394 120.949 120.570 -0.025 0.000 2.163 216 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 216 I C 2.260 178.352 176.117 -0.040 0.000 1.085 216 I CA 1.751 63.020 61.300 -0.051 0.000 1.347 216 I CB -0.594 37.340 38.000 -0.110 0.000 1.044 216 I HN 0.295 nan 8.210 nan 0.000 0.408 217 D N 1.017 121.407 120.400 -0.018 0.000 2.178 217 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 217 D C 2.204 178.524 176.300 0.033 0.000 0.980 217 D CA 1.513 55.516 54.000 0.005 0.000 0.842 217 D CB -0.099 40.727 40.800 0.044 0.000 0.948 217 D HN 0.385 nan 8.370 nan 0.000 0.472 218 A N 0.742 123.578 122.820 0.028 0.000 1.930 218 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 218 A C 2.283 179.901 177.584 0.056 0.000 1.176 218 A CA 1.641 53.699 52.037 0.035 0.000 0.632 218 A CB -0.543 18.469 19.000 0.020 0.000 0.819 218 A HN 0.207 nan 8.150 nan 0.000 0.445 219 A N -0.281 122.571 122.820 0.054 0.000 1.877 219 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 219 A C 2.044 179.699 177.584 0.119 0.000 1.186 219 A CA 1.596 53.678 52.037 0.076 0.000 0.620 219 A CB -0.463 18.576 19.000 0.065 0.000 0.822 219 A HN 0.377 nan 8.150 nan 0.000 0.443 220 L N -0.734 120.563 121.223 0.123 0.000 2.109 220 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 220 L C 2.617 179.703 176.870 0.359 0.000 1.086 220 L CA 2.081 57.065 54.840 0.240 0.000 0.760 220 L CB -1.096 41.024 42.059 0.102 0.000 0.910 220 L HN 0.610 nan 8.230 nan 0.000 0.437 221 R N -0.177 120.460 120.500 0.228 0.000 2.057 221 R HA -0.083 4.257 4.340 -0.000 0.000 0.224 221 R C 1.322 177.700 176.300 0.130 0.000 1.136 221 R CA 1.358 57.581 56.100 0.204 0.000 0.968 221 R CB 0.144 30.532 30.300 0.146 0.000 0.863 221 R HN 0.229 nan 8.270 nan 0.000 0.433 222 D N -1.020 119.437 120.400 0.095 0.000 2.360 222 D HA 0.083 4.723 4.640 -0.000 0.000 0.210 222 D C 1.225 177.564 176.300 0.064 0.000 1.047 222 D CA 0.697 54.734 54.000 0.061 0.000 0.854 222 D CB 1.033 41.857 40.800 0.040 0.000 0.936 222 D HN 0.488 nan 8.370 nan 0.000 0.514 223 G N 0.821 109.676 108.800 0.091 0.000 2.641 223 G HA2 0.103 4.063 3.960 -0.000 0.000 0.211 223 G HA3 0.103 4.063 3.960 -0.000 0.000 0.211 223 G C 1.473 176.437 174.900 0.106 0.000 1.190 223 G CA 0.651 45.808 45.100 0.095 0.000 0.842 223 G HN 0.253 nan 8.290 nan 0.000 0.585 224 A N -0.427 122.484 122.820 0.152 0.000 2.169 224 A HA 0.456 4.776 4.320 -0.000 0.000 0.212 224 A C 1.954 179.562 177.584 0.039 0.000 1.153 224 A CA 1.427 53.559 52.037 0.159 0.000 0.756 224 A CB -0.417 18.762 19.000 0.298 0.000 0.813 224 A HN 1.720 nan 8.150 nan 0.000 0.471 225 G N -1.861 106.956 108.800 0.028 0.000 2.141 225 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 225 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 225 G C -0.026 174.782 174.900 -0.153 0.000 0.982 225 G CA 0.036 45.082 45.100 -0.090 0.000 0.662 225 G HN 0.300 nan 8.290 nan 0.000 0.527 226 F N 0.879 120.822 119.950 -0.011 0.000 2.471 226 F HA 0.344 4.871 4.527 -0.000 0.000 0.353 226 F C 0.153 175.960 175.800 0.012 0.000 1.113 226 F CA -1.216 56.759 58.000 -0.041 0.000 1.262 226 F CB 0.773 39.749 39.000 -0.039 0.000 1.146 226 F HN -0.099 nan 8.300 nan 0.000 0.578 227 P HA -0.128 nan 4.420 nan 0.000 0.219 227 P C -0.009 177.389 177.300 0.164 0.000 1.150 227 P CA 1.373 64.553 63.100 0.134 0.000 0.814 227 P CB 0.514 32.278 31.700 0.107 0.000 0.787 228 M N -0.681 119.057 119.600 0.230 0.000 2.446 228 M HA 0.612 5.092 4.480 -0.000 0.000 0.294 228 M C -0.369 176.090 176.300 0.266 0.000 1.158 228 M CA -0.797 54.633 55.300 0.216 0.000 0.899 228 M CB 2.485 35.211 32.600 0.209 0.000 1.687 228 M HN -0.184 nan 8.290 nan 0.000 0.455 229 G N 3.699 112.605 108.800 0.177 0.000 2.491 229 G HA2 0.289 4.249 3.960 -0.000 0.000 0.238 229 G HA3 0.289 4.249 3.960 -0.000 0.000 0.238 229 G C -2.042 172.872 174.900 0.023 0.000 1.277 229 G CA -1.015 44.139 45.100 0.091 0.000 0.851 229 G HN 0.622 nan 8.290 nan 0.000 0.573 230 P HA -0.115 nan 4.420 nan 0.000 0.217 230 P C 1.843 179.081 177.300 -0.103 0.000 1.150 230 P CA 0.974 63.823 63.100 -0.418 0.000 0.832 230 P CB 0.250 31.334 31.700 -1.027 0.000 0.787 231 L N -0.297 120.831 121.223 -0.158 0.000 2.068 231 L HA -0.042 4.298 4.340 -0.000 0.000 0.204 231 L C 2.960 179.946 176.870 0.192 0.000 1.076 231 L CA 1.282 56.036 54.840 -0.143 0.000 0.753 231 L CB -1.133 40.764 42.059 -0.270 0.000 0.910 231 L HN -0.032 nan 8.230 nan 0.000 0.439 232 E N 0.635 121.036 120.200 0.336 0.000 2.097 232 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 232 E C 2.222 179.027 176.600 0.341 0.000 1.000 232 E CA 1.409 58.048 56.400 0.399 0.000 0.804 232 E CB -0.048 29.759 29.700 0.178 0.000 0.740 232 E HN 0.260 nan 8.360 nan 0.000 0.454 233 L N 0.898 122.280 121.223 0.266 0.000 2.083 233 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 233 L C 2.584 179.593 176.870 0.231 0.000 1.083 233 L CA 2.486 57.489 54.840 0.272 0.000 0.752 233 L CB -0.845 41.436 42.059 0.369 0.000 0.899 233 L HN 0.356 nan 8.230 nan 0.000 0.433 234 T N -4.653 110.030 114.554 0.215 0.000 2.788 234 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 234 T C 1.704 176.512 174.700 0.180 0.000 1.044 234 T CA 1.308 63.505 62.100 0.162 0.000 1.139 234 T CB -0.593 68.419 68.868 0.240 0.000 0.867 234 T HN 0.263 nan 8.240 nan 0.000 0.454 235 D N 0.972 121.526 120.400 0.257 0.000 2.144 235 D HA 0.066 4.706 4.640 -0.000 0.000 0.199 235 D C 1.894 178.195 176.300 0.001 0.000 0.984 235 D CA 0.601 54.753 54.000 0.253 0.000 0.834 235 D CB -0.299 40.894 40.800 0.655 0.000 0.955 235 D HN 0.348 nan 8.370 nan 0.000 0.465 236 L N -0.187 121.051 121.223 0.024 0.000 2.341 236 L HA 0.104 4.444 4.340 -0.000 0.000 0.214 236 L C 2.062 178.911 176.870 -0.036 0.000 1.115 236 L CA 0.268 55.049 54.840 -0.098 0.000 0.820 236 L CB 0.205 42.255 42.059 -0.016 0.000 0.944 236 L HN 0.015 nan 8.230 nan 0.000 0.452 237 I N -0.727 119.861 120.570 0.029 0.000 2.406 237 I HA 0.057 4.227 4.170 -0.000 0.000 0.249 237 I C 0.744 176.865 176.117 0.006 0.000 1.122 237 I CA 0.665 61.983 61.300 0.030 0.000 1.431 237 I CB -0.140 37.887 38.000 0.045 0.000 1.087 237 I HN 0.307 nan 8.210 nan 0.000 0.424 238 G N 1.231 110.035 108.800 0.008 0.000 3.444 238 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.685 238 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.685 238 G C 0.109 175.030 174.900 0.035 0.000 1.145 238 G CA -0.702 44.401 45.100 0.004 0.000 0.973 238 G HN -0.004 nan 8.290 nan 0.000 0.525 239 Q N 1.241 121.071 119.800 0.050 0.000 2.112 239 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 239 Q C 2.380 178.409 176.000 0.047 0.000 0.987 239 Q CA 2.350 58.189 55.803 0.060 0.000 0.858 239 Q CB -0.172 28.581 28.738 0.025 0.000 0.905 239 Q HN 0.949 nan 8.270 nan 0.000 0.420 240 D N 0.062 120.478 120.400 0.027 0.000 2.123 240 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 240 D C 1.946 178.295 176.300 0.082 0.000 0.992 240 D CA 1.240 55.271 54.000 0.052 0.000 0.833 240 D CB -0.678 40.135 40.800 0.022 0.000 0.954 240 D HN 0.144 nan 8.370 nan 0.000 0.455 241 V N 1.407 121.350 119.914 0.049 0.000 2.323 241 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 241 V C 2.564 178.675 176.094 0.029 0.000 1.041 241 V CA 1.746 64.065 62.300 0.032 0.000 1.025 241 V CB -0.912 30.922 31.823 0.020 0.000 0.656 241 V HN 0.339 nan 8.190 nan 0.000 0.451 242 N N -0.100 118.616 118.700 0.028 0.000 2.188 242 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 242 N C 1.954 177.486 175.510 0.036 0.000 1.018 242 N CA 1.485 54.521 53.050 -0.024 0.000 0.858 242 N CB -0.123 38.300 38.487 -0.106 0.000 0.989 242 N HN 0.448 nan 8.380 nan 0.000 0.426 243 F N 1.715 121.623 119.950 -0.069 0.000 2.234 243 F HA 0.090 4.617 4.527 -0.000 0.000 0.299 243 F C 2.342 178.104 175.800 -0.063 0.000 1.087 243 F CA 1.173 59.121 58.000 -0.087 0.000 1.340 243 F CB -0.410 38.517 39.000 -0.123 0.000 1.031 243 F HN 0.091 nan 8.300 nan 0.000 0.500 244 A N -0.386 122.432 122.820 -0.003 0.000 1.930 244 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 244 A C 2.282 179.786 177.584 -0.134 0.000 1.175 244 A CA 1.726 53.709 52.037 -0.089 0.000 0.627 244 A CB -1.262 17.731 19.000 -0.011 0.000 0.815 244 A HN 0.237 nan 8.150 nan 0.000 0.443 245 V N -0.406 119.452 119.914 -0.092 0.000 2.261 245 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 245 V C 2.736 178.767 176.094 -0.105 0.000 1.047 245 V CA 2.490 64.736 62.300 -0.091 0.000 1.015 245 V CB -1.340 30.459 31.823 -0.040 0.000 0.642 245 V HN 0.577 nan 8.190 nan 0.000 0.446 246 T N -0.933 113.561 114.554 -0.100 0.000 2.635 246 T HA -0.280 4.070 4.350 -0.000 0.000 0.267 246 T C 1.932 176.550 174.700 -0.137 0.000 1.040 246 T CA 2.164 64.213 62.100 -0.084 0.000 1.156 246 T CB -0.548 68.265 68.868 -0.091 0.000 0.863 246 T HN 0.538 nan 8.240 nan 0.000 0.430 247 C N 1.024 120.134 119.300 -0.316 0.000 2.435 247 C HA -0.010 4.450 4.460 -0.000 0.000 0.279 247 C C 3.287 178.233 174.990 -0.074 0.000 1.321 247 C CA 0.991 59.864 59.018 -0.243 0.000 1.752 247 C CB -1.199 26.269 27.740 -0.454 0.000 1.959 247 C HN 0.675 nan 8.230 nan 0.000 0.500 248 S N 0.410 116.030 115.700 -0.134 0.000 2.357 248 S HA -0.107 4.363 4.470 -0.000 0.000 0.221 248 S C 1.852 176.346 174.600 -0.177 0.000 1.031 248 S CA 1.924 60.033 58.200 -0.151 0.000 0.982 248 S CB -0.235 62.861 63.200 -0.173 0.000 0.853 248 S HN 0.376 nan 8.310 nan 0.000 0.458 249 V N 1.566 121.378 119.914 -0.170 0.000 2.295 249 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 249 V C 2.121 178.172 176.094 -0.073 0.000 1.049 249 V CA 2.081 64.242 62.300 -0.230 0.000 1.024 249 V CB -1.075 30.542 31.823 -0.343 0.000 0.648 249 V HN 0.620 nan 8.190 nan 0.000 0.447 250 F N 2.093 121.986 119.950 -0.094 0.000 2.065 250 F HA -0.248 4.279 4.527 0.000 0.000 0.298 250 F C 2.323 178.139 175.800 0.026 0.000 1.112 250 F CA 2.213 60.252 58.000 0.066 0.000 1.212 250 F CB -0.481 38.539 39.000 0.032 0.000 0.975 250 F HN 0.201 nan 8.300 nan 0.000 0.476 251 N N 0.362 118.974 118.700 -0.146 0.000 2.270 251 N HA -0.034 4.706 4.740 -0.000 0.000 0.181 251 N C 1.878 177.143 175.510 -0.410 0.000 1.016 251 N CA 1.198 54.075 53.050 -0.287 0.000 0.870 251 N CB -0.614 37.786 38.487 -0.144 0.000 0.979 251 N HN 0.405 nan 8.380 nan 0.000 0.431 252 A N -0.428 122.125 122.820 -0.445 0.000 2.119 252 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 252 A C 1.214 178.202 177.584 -0.992 0.000 1.153 252 A CA 0.515 52.127 52.037 -0.708 0.000 0.692 252 A CB -0.515 18.101 19.000 -0.640 0.000 0.799 252 A HN 0.211 nan 8.150 nan 0.000 0.458 253 F N -1.909 117.721 119.950 -0.535 0.000 2.639 253 F HA 0.175 4.702 4.527 -0.000 0.000 0.300 253 F C -0.162 175.579 175.800 -0.098 0.000 1.109 253 F CA -0.391 57.421 58.000 -0.313 0.000 1.335 253 F CB 0.201 39.192 39.000 -0.015 0.000 1.014 253 F HN 0.328 nan 8.300 nan 0.000 0.537 254 W N 1.565 122.834 121.300 -0.051 0.000 6.199 254 W HA -0.284 4.376 4.660 0.000 0.000 0.416 254 W C 0.278 176.666 176.519 -0.218 0.000 1.636 254 W CA 0.544 57.815 57.345 -0.123 0.000 1.040 254 W CB -2.681 26.749 29.460 -0.050 0.000 2.854 254 W HN 0.397 nan 8.180 nan 0.000 1.467 255 Q N -2.382 117.168 119.800 -0.415 0.000 2.487 255 Q HA -0.220 4.120 4.340 -0.000 0.000 0.279 255 Q C 0.436 176.289 176.000 -0.245 0.000 1.228 255 Q CA 1.654 56.916 55.803 -0.902 0.000 0.873 255 Q CB -1.115 27.318 28.738 -0.508 0.000 1.260 255 Q HN 0.311 nan 8.270 nan 0.000 0.471 256 E N 0.756 120.961 120.200 0.007 0.000 2.558 256 E HA -0.085 4.265 4.350 -0.000 0.000 0.255 256 E C 1.022 177.787 176.600 0.275 0.000 0.968 256 E CA 0.113 56.609 56.400 0.160 0.000 0.939 256 E CB 0.492 30.299 29.700 0.179 0.000 0.921 256 E HN 0.223 nan 8.360 nan 0.000 0.477 257 R N 2.898 123.484 120.500 0.143 0.000 2.236 257 R HA -0.093 4.247 4.340 -0.000 0.000 0.208 257 R C 1.781 178.050 176.300 -0.051 0.000 1.036 257 R CA 0.522 56.697 56.100 0.125 0.000 1.001 257 R CB -0.314 30.018 30.300 0.053 0.000 0.896 257 R HN 0.497 nan 8.270 nan 0.000 0.464 258 R N -0.222 120.141 120.500 -0.228 0.000 2.280 258 R HA 0.017 4.357 4.340 -0.000 0.000 0.207 258 R C 0.571 176.577 176.300 -0.490 0.000 1.043 258 R CA 0.966 56.793 56.100 -0.455 0.000 1.006 258 R CB -0.253 29.674 30.300 -0.622 0.000 0.885 258 R HN 0.166 nan 8.270 nan 0.000 0.467 259 F N 0.671 120.683 119.950 0.103 0.000 2.668 259 F HA 0.260 4.787 4.527 -0.000 0.000 0.301 259 F C 0.273 176.106 175.800 0.055 0.000 1.106 259 F CA -1.269 56.828 58.000 0.160 0.000 1.289 259 F CB 0.503 39.660 39.000 0.262 0.000 1.006 259 F HN -0.085 nan 8.300 nan 0.000 0.535 260 L N 3.374 124.607 121.223 0.016 0.000 2.615 260 L HA 0.074 4.414 4.340 -0.000 0.000 0.284 260 L C -2.129 174.519 176.870 -0.370 0.000 1.237 260 L CA -1.342 53.249 54.840 -0.415 0.000 0.905 260 L CB -0.078 41.875 42.059 -0.177 0.000 1.149 260 L HN -0.127 nan 8.230 nan 0.000 0.499 261 P HA 0.190 nan 4.420 nan 0.000 0.274 261 P C -1.307 175.910 177.300 -0.139 0.000 1.256 261 P CA -0.512 62.412 63.100 -0.293 0.000 0.795 261 P CB 0.817 32.294 31.700 -0.372 0.000 1.038 262 S N -0.036 115.614 115.700 -0.084 0.000 2.489 262 S HA 0.281 4.751 4.470 -0.000 0.000 0.291 262 S C 1.166 175.676 174.600 -0.150 0.000 1.151 262 S CA -0.628 57.487 58.200 -0.140 0.000 1.082 262 S CB -0.155 62.850 63.200 -0.324 0.000 1.019 262 S HN 0.292 nan 8.310 nan 0.000 0.492 263 L N 4.701 125.858 121.223 -0.110 0.000 2.275 263 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 263 L C 2.081 178.835 176.870 -0.192 0.000 1.119 263 L CA 0.663 55.430 54.840 -0.121 0.000 0.790 263 L CB -0.392 41.628 42.059 -0.064 0.000 0.919 263 L HN 0.562 nan 8.230 nan 0.000 0.443 264 V N -0.657 119.135 119.914 -0.204 0.000 2.379 264 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 264 V C 2.407 178.214 176.094 -0.477 0.000 1.044 264 V CA 1.720 63.891 62.300 -0.214 0.000 1.036 264 V CB -0.452 31.363 31.823 -0.013 0.000 0.664 264 V HN 0.492 nan 8.190 nan 0.000 0.453 265 Q N -0.261 119.017 119.800 -0.870 0.000 2.049 265 Q HA -0.249 4.091 4.340 -0.000 0.000 0.198 265 Q C 2.422 177.885 176.000 -0.894 0.000 0.971 265 Q CA 1.807 56.949 55.803 -1.102 0.000 0.833 265 Q CB -0.103 27.827 28.738 -1.347 0.000 0.896 265 Q HN 0.710 nan 8.270 nan 0.000 0.434 266 Q N 0.352 119.609 119.800 -0.905 0.000 2.077 266 Q HA -0.292 4.048 4.340 -0.000 0.000 0.206 266 Q C 1.835 177.504 176.000 -0.552 0.000 0.989 266 Q CA 2.050 57.271 55.803 -0.970 0.000 0.853 266 Q CB -0.062 28.416 28.738 -0.435 0.000 0.907 266 Q HN 0.310 nan 8.270 nan 0.000 0.418 267 E N 0.115 120.096 120.200 -0.364 0.000 2.097 267 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 267 E C 1.908 178.377 176.600 -0.218 0.000 1.000 267 E CA 1.406 57.667 56.400 -0.232 0.000 0.804 267 E CB -0.233 29.369 29.700 -0.163 0.000 0.740 267 E HN 0.452 nan 8.360 nan 0.000 0.454 268 L N -0.666 120.402 121.223 -0.259 0.000 2.093 268 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 268 L C 2.302 179.060 176.870 -0.187 0.000 1.085 268 L CA 0.666 55.398 54.840 -0.180 0.000 0.755 268 L CB -0.311 41.663 42.059 -0.140 0.000 0.904 268 L HN 0.121 nan 8.230 nan 0.000 0.435 269 V N 0.154 119.885 119.914 -0.305 0.000 2.283 269 V HA -0.231 3.889 4.120 -0.000 0.000 0.243 269 V C 2.228 178.218 176.094 -0.174 0.000 1.039 269 V CA 1.561 63.707 62.300 -0.257 0.000 1.016 269 V CB -0.231 31.348 31.823 -0.406 0.000 0.650 269 V HN 0.311 nan 8.190 nan 0.000 0.449 270 I N 1.062 121.515 120.570 -0.196 0.000 2.756 270 I HA -0.079 4.091 4.170 -0.000 0.000 0.262 270 I C 2.269 178.333 176.117 -0.087 0.000 1.225 270 I CA 1.357 62.585 61.300 -0.120 0.000 1.472 270 I CB -0.734 37.197 38.000 -0.117 0.000 1.094 270 I HN 0.424 nan 8.210 nan 0.000 0.454 271 G N 0.184 108.927 108.800 -0.095 0.000 2.920 271 G HA2 0.168 4.128 3.960 -0.000 0.000 0.208 271 G HA3 0.168 4.128 3.960 -0.000 0.000 0.208 271 G C 1.432 176.305 174.900 -0.046 0.000 1.159 271 G CA 0.480 45.543 45.100 -0.063 0.000 0.784 271 G HN 0.513 nan 8.290 nan 0.000 0.535 272 G N 0.126 108.895 108.800 -0.052 0.000 2.155 272 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 272 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 272 G C 0.617 175.506 174.900 -0.018 0.000 0.983 272 G CA 0.083 45.164 45.100 -0.032 0.000 0.676 272 G HN 0.561 nan 8.290 nan 0.000 0.528 273 R N 0.217 120.705 120.500 -0.020 0.000 3.266 273 R HA 0.393 4.733 4.340 -0.000 0.000 0.224 273 R C 1.367 177.679 176.300 0.020 0.000 1.525 273 R CA -0.356 55.750 56.100 0.010 0.000 1.364 273 R CB -0.094 30.215 30.300 0.014 0.000 1.276 273 R HN 0.397 nan 8.270 nan 0.000 0.660 274 L N 0.208 121.441 121.223 0.016 0.000 2.591 274 L HA 0.206 4.546 4.340 -0.000 0.000 0.228 274 L C 1.224 178.107 176.870 0.022 0.000 1.133 274 L CA 0.123 54.968 54.840 0.009 0.000 0.880 274 L CB -0.198 41.855 42.059 -0.010 0.000 1.033 274 L HN 0.780 nan 8.230 nan 0.000 0.450 275 G N 0.514 109.346 108.800 0.054 0.000 2.408 275 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.204 275 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.204 275 G C 0.384 175.176 174.900 -0.179 0.000 1.186 275 G CA 0.092 45.219 45.100 0.044 0.000 1.139 275 G HN 0.003 nan 8.290 nan 0.000 0.563 276 K N 1.142 121.143 120.400 -0.665 0.000 2.032 276 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 276 K C 2.678 179.060 176.600 -0.363 0.000 1.048 276 K CA 2.296 57.983 56.287 -1.000 0.000 0.927 276 K CB -0.373 31.384 32.500 -1.238 0.000 0.712 276 K HN 0.568 nan 8.250 nan 0.000 0.441 277 K N 0.072 120.324 120.400 -0.245 0.000 2.211 277 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 277 K C 1.333 177.895 176.600 -0.063 0.000 1.047 277 K CA 1.927 58.139 56.287 -0.125 0.000 0.935 277 K CB -0.075 32.370 32.500 -0.093 0.000 0.728 277 K HN 0.143 nan 8.250 nan 0.000 0.452 278 S N -1.572 114.102 115.700 -0.044 0.000 2.650 278 S HA 0.383 4.853 4.470 -0.000 0.000 0.240 278 S C 1.275 175.901 174.600 0.043 0.000 1.007 278 S CA -0.197 58.004 58.200 0.001 0.000 0.984 278 S CB 0.671 63.874 63.200 0.005 0.000 0.910 278 S HN 0.623 nan 8.310 nan 0.000 0.509 279 G N 0.737 109.576 108.800 0.064 0.000 2.267 279 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 279 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 279 G C -0.278 174.785 174.900 0.272 0.000 0.998 279 G CA 0.526 45.725 45.100 0.165 0.000 0.620 279 G HN 0.872 nan 8.290 nan 0.000 0.529 280 L N 0.095 121.454 121.223 0.226 0.000 2.464 280 L HA 0.821 5.161 4.340 -0.000 0.000 0.266 280 L C 0.485 177.488 176.870 0.221 0.000 0.965 280 L CA 0.630 55.616 54.840 0.243 0.000 0.833 280 L CB 1.576 43.715 42.059 0.134 0.000 1.296 280 L HN 0.702 nan 8.230 nan 0.000 0.405 281 G N 2.367 111.335 108.800 0.279 0.000 3.420 281 G HA2 0.290 4.250 3.960 -0.000 0.000 0.183 281 G HA3 0.290 4.250 3.960 -0.000 0.000 0.183 281 G C 0.278 175.262 174.900 0.140 0.000 1.315 281 G CA 0.363 45.591 45.100 0.213 0.000 0.958 281 G HN 0.353 nan 8.290 nan 0.000 0.745 282 V N 0.235 120.225 119.914 0.127 0.000 2.358 282 V HA 0.091 4.211 4.120 -0.000 0.000 0.246 282 V C 0.823 176.719 176.094 -0.331 0.000 1.047 282 V CA 1.339 63.560 62.300 -0.132 0.000 1.035 282 V CB -0.699 30.950 31.823 -0.290 0.000 0.658 282 V HN 0.357 nan 8.190 nan 0.000 0.452 283 Y N -1.312 119.043 120.300 0.091 0.000 2.534 283 Y HA 0.476 5.026 4.550 -0.000 0.000 0.329 283 Y C 0.207 176.066 175.900 -0.069 0.000 1.154 283 Y CA -1.135 56.905 58.100 -0.100 0.000 1.192 283 Y CB 0.692 38.916 38.460 -0.393 0.000 1.275 283 Y HN -0.107 nan 8.280 nan 0.000 0.491 284 D N 0.671 121.084 120.400 0.022 0.000 2.280 284 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 284 D C -0.667 175.572 176.300 -0.103 0.000 1.129 284 D CA -0.141 53.878 54.000 0.030 0.000 0.848 284 D CB 0.682 41.493 40.800 0.018 0.000 1.107 284 D HN 0.602 nan 8.370 nan 0.000 0.471 285 W N 3.172 124.517 121.300 0.075 0.000 3.278 285 W HA 0.169 4.829 4.660 -0.000 0.000 0.308 285 W C 2.005 178.543 176.519 0.032 0.000 1.253 285 W CA -0.410 56.966 57.345 0.051 0.000 1.759 285 W CB 0.425 29.917 29.460 0.053 0.000 1.093 285 W HN 0.347 nan 8.180 nan 0.000 0.648 286 R N 0.861 121.464 120.500 0.170 0.000 2.051 286 R HA 0.144 4.484 4.340 -0.000 0.000 0.225 286 R C 1.340 177.674 176.300 0.056 0.000 1.155 286 R CA 0.961 57.125 56.100 0.106 0.000 0.945 286 R CB -1.071 29.277 30.300 0.079 0.000 0.840 286 R HN -0.060 nan 8.270 nan 0.000 0.432 287 A N 2.267 125.098 122.820 0.019 0.000 2.477 287 A HA 0.049 4.369 4.320 -0.000 0.000 0.246 287 A C -0.233 177.320 177.584 -0.051 0.000 1.078 287 A CA -0.142 51.887 52.037 -0.013 0.000 0.770 287 A CB 0.096 19.083 19.000 -0.022 0.000 1.011 287 A HN 0.260 nan 8.150 nan 0.000 0.494 288 E N 0.521 120.694 120.200 -0.045 0.000 2.409 288 E HA 0.191 4.541 4.350 -0.000 0.000 0.257 288 E C 0.216 176.740 176.600 -0.127 0.000 1.150 288 E CA -0.342 56.017 56.400 -0.069 0.000 0.942 288 E CB 0.447 30.127 29.700 -0.033 0.000 0.979 288 E HN 0.704 nan 8.360 nan 0.000 0.447 289 R N 1.458 121.857 120.500 -0.168 0.000 2.370 289 R HA 0.101 4.441 4.340 -0.000 0.000 0.309 289 R C -0.255 175.959 176.300 -0.143 0.000 1.059 289 R CA -0.015 55.950 56.100 -0.225 0.000 0.981 289 R CB 0.344 30.472 30.300 -0.287 0.000 0.972 289 R HN 0.348 nan 8.270 nan 0.000 0.437 290 E N 1.818 121.938 120.200 -0.133 0.000 2.392 290 E HA 0.223 4.573 4.350 -0.000 0.000 0.256 290 E C -0.347 176.204 176.600 -0.081 0.000 1.145 290 E CA -0.300 56.049 56.400 -0.085 0.000 0.929 290 E CB 0.939 30.601 29.700 -0.064 0.000 0.998 290 E HN 0.772 nan 8.360 nan 0.000 0.442 291 A N 1.377 124.165 122.820 -0.054 0.000 2.292 291 A HA 0.365 4.685 4.320 -0.000 0.000 0.319 291 A C -0.099 177.466 177.584 -0.033 0.000 1.206 291 A CA -0.830 51.181 52.037 -0.044 0.000 0.835 291 A CB 0.514 19.494 19.000 -0.033 0.000 1.164 291 A HN 0.394 nan 8.150 nan 0.000 0.505 292 V N 2.732 122.629 119.914 -0.028 0.000 2.572 292 V HA 0.268 4.388 4.120 -0.000 0.000 0.291 292 V C 1.048 177.134 176.094 -0.014 0.000 1.039 292 V CA -0.203 62.086 62.300 -0.017 0.000 1.055 292 V CB 0.352 32.169 31.823 -0.010 0.000 0.969 292 V HN 0.621 nan 8.190 nan 0.000 0.482 293 V N 3.777 123.683 119.914 -0.012 0.000 2.326 293 V HA 0.522 4.642 4.120 -0.000 0.000 0.238 293 V C 1.443 177.531 176.094 -0.010 0.000 1.038 293 V CA 1.471 63.764 62.300 -0.012 0.000 1.032 293 V CB -1.101 30.715 31.823 -0.012 0.000 0.675 293 V HN 1.780 nan 8.190 nan 0.000 0.467 294 G N -0.079 108.717 108.800 -0.007 0.000 2.699 294 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 294 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 294 G C -0.797 174.098 174.900 -0.008 0.000 1.301 294 G CA -0.611 44.486 45.100 -0.006 0.000 0.816 294 G HN 0.362 nan 8.290 nan 0.000 0.595 295 L N 0.726 121.944 121.223 -0.007 0.000 2.453 295 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 295 L C 1.096 177.957 176.870 -0.015 0.000 1.182 295 L CA -0.406 54.428 54.840 -0.010 0.000 0.858 295 L CB 0.452 42.508 42.059 -0.006 0.000 1.120 295 L HN 0.642 nan 8.230 nan 0.000 0.474 296 E N 1.672 121.861 120.200 -0.020 0.000 2.436 296 E HA 0.182 4.532 4.350 -0.000 0.000 0.262 296 E C 0.041 176.628 176.600 -0.022 0.000 1.063 296 E CA 0.080 56.467 56.400 -0.022 0.000 0.944 296 E CB 0.574 30.259 29.700 -0.026 0.000 0.950 296 E HN 0.604 nan 8.360 nan 0.000 0.444 297 A N 2.491 125.303 122.820 -0.014 0.000 2.548 297 A HA 0.164 4.484 4.320 -0.000 0.000 0.247 297 A C -0.149 177.439 177.584 0.007 0.000 1.067 297 A CA -0.462 51.577 52.037 0.004 0.000 0.757 297 A CB -0.084 18.923 19.000 0.011 0.000 0.996 297 A HN 0.372 nan 8.150 nan 0.000 0.504 298 V N 3.616 123.555 119.914 0.043 0.000 2.775 298 V HA 0.291 4.411 4.120 -0.000 0.000 0.299 298 V C 1.145 177.301 176.094 0.103 0.000 1.062 298 V CA 0.011 62.300 62.300 -0.019 0.000 1.063 298 V CB 0.923 32.738 31.823 -0.014 0.000 0.994 298 V HN 1.094 nan 8.190 nan 0.000 0.483 299 S N 1.628 117.305 115.700 -0.038 0.000 2.584 299 S HA 0.071 4.541 4.470 -0.000 0.000 0.270 299 S C 0.542 175.184 174.600 0.070 0.000 1.346 299 S CA -0.289 57.949 58.200 0.063 0.000 1.018 299 S CB 0.460 63.695 63.200 0.059 0.000 0.899 299 S HN 0.736 nan 8.310 nan 0.000 0.542 300 D N 1.010 121.468 120.400 0.098 0.000 2.309 300 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 300 D C 2.006 178.256 176.300 -0.084 0.000 0.968 300 D CA 1.414 55.428 54.000 0.024 0.000 0.882 300 D CB -0.209 40.657 40.800 0.109 0.000 0.918 300 D HN 0.694 nan 8.370 nan 0.000 0.503 301 S N -0.644 115.063 115.700 0.012 0.000 2.453 301 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 301 S C 1.392 175.947 174.600 -0.074 0.000 1.005 301 S CA 0.252 58.452 58.200 0.000 0.000 0.949 301 S CB -0.373 62.870 63.200 0.070 0.000 0.774 301 S HN 0.136 nan 8.310 nan 0.000 0.510 302 F N 2.650 122.427 119.950 -0.288 0.000 2.732 302 F HA 0.417 4.944 4.527 -0.000 0.000 0.303 302 F C 1.425 176.962 175.800 -0.439 0.000 1.110 302 F CA -0.622 57.206 58.000 -0.287 0.000 1.355 302 F CB -0.213 38.666 39.000 -0.201 0.000 1.081 302 F HN 0.160 nan 8.300 nan 0.000 0.565 303 S N 2.644 118.050 115.700 -0.490 0.000 2.552 303 S HA 0.088 4.558 4.470 -0.000 0.000 0.289 303 S C -2.001 172.533 174.600 -0.110 0.000 1.304 303 S CA -1.345 56.596 58.200 -0.432 0.000 1.063 303 S CB 0.162 63.216 63.200 -0.244 0.000 0.848 303 S HN -0.034 nan 8.310 nan 0.000 0.499 304 P HA 0.065 nan 4.420 nan 0.000 0.269 304 P C 0.695 178.004 177.300 0.014 0.000 1.215 304 P CA -0.396 62.721 63.100 0.029 0.000 0.780 304 P CB 0.423 32.166 31.700 0.071 0.000 0.898 305 M N 0.260 119.855 119.600 -0.009 0.000 2.334 305 M HA 0.062 4.542 4.480 -0.000 0.000 0.266 305 M C 0.896 177.195 176.300 -0.001 0.000 1.082 305 M CA 1.349 56.644 55.300 -0.009 0.000 1.141 305 M CB -0.637 31.950 32.600 -0.022 0.000 1.380 305 M HN 0.370 nan 8.290 nan 0.000 0.440 306 K N 0.861 121.255 120.400 -0.011 0.000 2.601 306 K HA 0.478 4.798 4.320 -0.000 0.000 0.249 306 K C -1.835 174.740 176.600 -0.042 0.000 0.966 306 K CA -0.195 56.082 56.287 -0.017 0.000 0.827 306 K CB 2.339 34.826 32.500 -0.021 0.000 1.178 306 K HN -0.178 nan 8.250 nan 0.000 0.437 307 V N 3.676 123.563 119.914 -0.044 0.000 2.409 307 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 307 V C -0.621 175.426 176.094 -0.079 0.000 1.020 307 V CA -0.623 61.611 62.300 -0.110 0.000 0.848 307 V CB 1.475 33.221 31.823 -0.129 0.000 0.990 307 V HN 0.786 nan 8.190 nan 0.000 0.430 308 E N 4.096 124.237 120.200 -0.099 0.000 2.325 308 E HA 0.336 4.686 4.350 -0.000 0.000 0.248 308 E C -0.811 175.753 176.600 -0.060 0.000 0.912 308 E CA -0.710 55.655 56.400 -0.058 0.000 0.782 308 E CB 1.105 30.779 29.700 -0.044 0.000 1.264 308 E HN 0.581 nan 8.360 nan 0.000 0.417 309 K N 4.152 124.533 120.400 -0.033 0.000 2.336 309 K HA 0.139 4.459 4.320 -0.000 0.000 0.290 309 K C 0.137 176.729 176.600 -0.014 0.000 1.067 309 K CA 0.181 56.458 56.287 -0.015 0.000 0.962 309 K CB 0.768 33.281 32.500 0.022 0.000 1.008 309 K HN 0.260 nan 8.250 nan 0.000 0.467 310 K N 0.888 121.274 120.400 -0.023 0.000 2.488 310 K HA 0.207 4.527 4.320 -0.000 0.000 0.255 310 K C 0.638 177.228 176.600 -0.016 0.000 1.036 310 K CA -0.587 55.688 56.287 -0.020 0.000 0.990 310 K CB 0.743 33.227 32.500 -0.027 0.000 1.304 310 K HN 0.602 nan 8.250 nan 0.000 0.505 311 S N -0.574 115.116 115.700 -0.017 0.000 2.707 311 S HA 0.147 4.617 4.470 -0.000 0.000 0.276 311 S C -0.055 174.527 174.600 -0.030 0.000 1.179 311 S CA -0.366 57.823 58.200 -0.018 0.000 0.992 311 S CB 0.934 64.126 63.200 -0.013 0.000 1.030 311 S HN 0.725 nan 8.310 nan 0.000 0.554 312 D N -0.355 120.023 120.400 -0.036 0.000 2.775 312 D HA -0.085 4.555 4.640 -0.000 0.000 0.235 312 D C 0.845 177.099 176.300 -0.077 0.000 1.120 312 D CA 1.839 55.806 54.000 -0.056 0.000 0.708 312 D CB -1.583 39.187 40.800 -0.050 0.000 1.084 312 D HN 1.728 nan 8.370 nan 0.000 0.434 313 G N -1.137 107.620 108.800 -0.072 0.000 2.283 313 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.280 313 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.280 313 G C 0.305 175.167 174.900 -0.064 0.000 1.029 313 G CA 0.390 45.442 45.100 -0.081 0.000 0.840 313 G HN 0.933 nan 8.290 nan 0.000 0.505 314 V N 0.269 120.154 119.914 -0.048 0.000 2.417 314 V HA 0.721 4.841 4.120 -0.000 0.000 0.291 314 V C 0.337 176.408 176.094 -0.039 0.000 1.024 314 V CA -0.281 61.992 62.300 -0.045 0.000 0.861 314 V CB 1.974 33.769 31.823 -0.046 0.000 0.985 314 V HN 0.307 nan 8.190 nan 0.000 0.436 315 T N 3.959 118.484 114.554 -0.048 0.000 2.812 315 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 315 T C -0.386 174.249 174.700 -0.109 0.000 0.990 315 T CA -0.524 61.524 62.100 -0.086 0.000 0.960 315 T CB 1.350 70.146 68.868 -0.120 0.000 0.948 315 T HN 0.913 nan 8.240 nan 0.000 0.438 316 E N 4.099 124.233 120.200 -0.109 0.000 2.109 316 E HA 0.465 4.815 4.350 -0.000 0.000 0.278 316 E C -1.054 175.469 176.600 -0.130 0.000 0.954 316 E CA -0.675 55.667 56.400 -0.098 0.000 0.779 316 E CB 0.526 30.187 29.700 -0.064 0.000 1.093 316 E HN 0.560 nan 8.360 nan 0.000 0.401 317 I N 5.432 125.927 120.570 -0.125 0.000 2.405 317 I HA 0.171 4.341 4.170 -0.000 0.000 0.280 317 I C 0.003 176.082 176.117 -0.063 0.000 1.027 317 I CA -0.680 60.542 61.300 -0.129 0.000 1.161 317 I CB 0.908 38.815 38.000 -0.155 0.000 1.300 317 I HN 0.721 nan 8.210 nan 0.000 0.463 318 D N 3.792 124.161 120.400 -0.052 0.000 4.334 318 D HA -0.307 4.333 4.640 -0.000 0.000 0.183 318 D C 0.990 177.269 176.300 -0.035 0.000 0.667 318 D CA 2.414 56.392 54.000 -0.037 0.000 1.106 318 D CB -0.475 40.308 40.800 -0.029 0.000 0.544 318 D HN 0.793 nan 8.370 nan 0.000 0.458 319 D N 0.821 121.204 120.400 -0.028 0.000 2.407 319 D HA 0.096 4.736 4.640 -0.000 0.000 0.208 319 D C 0.561 176.847 176.300 -0.022 0.000 1.083 319 D CA 0.034 54.019 54.000 -0.024 0.000 0.844 319 D CB -0.112 40.676 40.800 -0.020 0.000 0.967 319 D HN 0.277 nan 8.370 nan 0.000 0.506 320 V N 1.933 121.834 119.914 -0.022 0.000 2.508 320 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 320 V C 0.681 176.756 176.094 -0.032 0.000 1.041 320 V CA -0.526 61.764 62.300 -0.017 0.000 1.016 320 V CB 1.251 33.072 31.823 -0.003 0.000 0.984 320 V HN 0.117 nan 8.190 nan 0.000 0.478 321 L N 5.798 127.004 121.223 -0.027 0.000 2.278 321 L HA 0.380 4.720 4.340 -0.000 0.000 0.287 321 L C -0.273 176.581 176.870 -0.026 0.000 1.072 321 L CA -0.455 54.365 54.840 -0.034 0.000 0.819 321 L CB 1.190 43.230 42.059 -0.032 0.000 1.176 321 L HN 0.513 nan 8.230 nan 0.000 0.435 322 L N 6.534 127.737 121.223 -0.032 0.000 2.255 322 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 322 L C -0.466 176.392 176.870 -0.020 0.000 1.046 322 L CA 0.283 55.117 54.840 -0.010 0.000 0.816 322 L CB 0.548 42.612 42.059 0.008 0.000 1.197 322 L HN 0.369 nan 8.230 nan 0.000 0.427 323 I N 4.555 125.109 120.570 -0.026 0.000 2.418 323 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 323 I C 0.008 176.083 176.117 -0.070 0.000 1.008 323 I CA -0.715 60.554 61.300 -0.051 0.000 1.104 323 I CB 1.621 39.587 38.000 -0.057 0.000 1.264 323 I HN 0.541 nan 8.210 nan 0.000 0.438 324 E N 3.389 123.528 120.200 -0.103 0.000 2.415 324 E HA -0.005 4.345 4.350 -0.000 0.000 0.263 324 E C 0.119 176.579 176.600 -0.234 0.000 0.995 324 E CA 0.202 56.496 56.400 -0.177 0.000 0.915 324 E CB 0.796 30.351 29.700 -0.241 0.000 0.951 324 E HN 0.459 nan 8.360 nan 0.000 0.449 325 T N 2.809 117.214 114.554 -0.248 0.000 2.902 325 T HA -0.048 4.302 4.350 -0.000 0.000 0.301 325 T C 0.609 175.141 174.700 -0.279 0.000 1.012 325 T CA 0.510 62.485 62.100 -0.208 0.000 1.151 325 T CB 0.333 69.129 68.868 -0.121 0.000 0.946 325 T HN 0.424 nan 8.240 nan 0.000 0.542 326 Q N 3.024 122.711 119.800 -0.190 0.000 2.194 326 Q HA 0.312 4.652 4.340 -0.000 0.000 0.214 326 Q C 1.476 177.412 176.000 -0.106 0.000 0.838 326 Q CA 0.174 55.882 55.803 -0.159 0.000 0.972 326 Q CB 0.899 29.558 28.738 -0.131 0.000 1.131 326 Q HN 1.066 nan 8.270 nan 0.000 0.498 327 G N 1.016 109.748 108.800 -0.113 0.000 2.179 327 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 327 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 327 G C -0.191 174.621 174.900 -0.147 0.000 0.990 327 G CA -0.382 44.644 45.100 -0.124 0.000 0.646 327 G HN 0.300 nan 8.290 nan 0.000 0.517 328 E N 1.414 121.546 120.200 -0.114 0.000 2.242 328 E HA 0.504 4.854 4.350 -0.000 0.000 0.275 328 E C 0.787 177.324 176.600 -0.105 0.000 1.002 328 E CA 0.006 56.347 56.400 -0.098 0.000 0.841 328 E CB 1.080 30.744 29.700 -0.060 0.000 1.109 328 E HN 0.365 nan 8.360 nan 0.000 0.394 329 T N -1.086 113.408 114.554 -0.101 0.000 2.899 329 T HA 0.258 4.608 4.350 -0.000 0.000 0.295 329 T C 1.218 175.895 174.700 -0.039 0.000 1.033 329 T CA -0.204 61.851 62.100 -0.075 0.000 1.084 329 T CB 1.464 70.297 68.868 -0.059 0.000 0.979 329 T HN 0.516 nan 8.240 nan 0.000 0.532 330 A N 1.214 124.020 122.820 -0.024 0.000 1.917 330 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 330 A C 2.405 179.985 177.584 -0.007 0.000 1.182 330 A CA 2.224 54.254 52.037 -0.013 0.000 0.633 330 A CB -1.286 17.714 19.000 -0.000 0.000 0.819 330 A HN 0.923 nan 8.150 nan 0.000 0.448 331 Q N -0.463 119.337 119.800 -0.001 0.000 2.084 331 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 331 Q C 2.105 178.106 176.000 0.002 0.000 0.978 331 Q CA 2.208 58.014 55.803 0.005 0.000 0.844 331 Q CB -0.552 28.194 28.738 0.012 0.000 0.898 331 Q HN 0.594 nan 8.270 nan 0.000 0.426 332 A N -0.071 122.750 122.820 0.001 0.000 1.902 332 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 332 A C 2.071 179.651 177.584 -0.007 0.000 1.181 332 A CA 1.384 53.422 52.037 0.002 0.000 0.623 332 A CB -0.724 18.282 19.000 0.009 0.000 0.818 332 A HN 0.448 nan 8.150 nan 0.000 0.443 333 L N -0.873 120.342 121.223 -0.014 0.000 2.056 333 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 333 L C 3.090 179.951 176.870 -0.014 0.000 1.078 333 L CA 1.031 55.859 54.840 -0.019 0.000 0.749 333 L CB -0.560 41.483 42.059 -0.027 0.000 0.901 333 L HN 0.426 nan 8.230 nan 0.000 0.433 334 A N 0.781 123.595 122.820 -0.010 0.000 1.933 334 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 334 A C 2.220 179.800 177.584 -0.006 0.000 1.175 334 A CA 1.878 53.911 52.037 -0.007 0.000 0.628 334 A CB -0.711 18.288 19.000 -0.002 0.000 0.814 334 A HN 0.575 nan 8.150 nan 0.000 0.444 335 I N -3.521 117.047 120.570 -0.004 0.000 2.617 335 I HA -0.006 4.164 4.170 -0.000 0.000 0.256 335 I C 2.228 178.342 176.117 -0.006 0.000 1.167 335 I CA 1.130 62.428 61.300 -0.003 0.000 1.469 335 I CB -0.215 37.785 38.000 -0.000 0.000 1.098 335 I HN 0.098 nan 8.210 nan 0.000 0.436 336 R N 0.915 121.410 120.500 -0.008 0.000 2.092 336 R HA 0.091 4.431 4.340 -0.000 0.000 0.231 336 R C 1.962 178.254 176.300 -0.013 0.000 1.119 336 R CA 1.487 57.580 56.100 -0.011 0.000 0.970 336 R CB -0.135 30.156 30.300 -0.015 0.000 0.864 336 R HN 0.433 nan 8.270 nan 0.000 0.440 337 L N -0.689 120.525 121.223 -0.014 0.000 2.640 337 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 337 L C 0.768 177.630 176.870 -0.013 0.000 1.123 337 L CA 0.083 54.914 54.840 -0.015 0.000 0.900 337 L CB 0.444 42.492 42.059 -0.018 0.000 1.146 337 L HN 0.119 nan 8.230 nan 0.000 0.484 338 A N 0.868 123.682 122.820 -0.010 0.000 2.799 338 A HA -0.242 4.078 4.320 -0.000 0.000 0.287 338 A C 0.424 178.002 177.584 -0.009 0.000 1.484 338 A CA 1.153 53.185 52.037 -0.009 0.000 0.813 338 A CB -1.746 17.248 19.000 -0.009 0.000 1.009 338 A HN 0.555 nan 8.150 nan 0.000 0.545 339 R N -1.368 119.127 120.500 -0.009 0.000 2.808 339 R HA 0.635 4.975 4.340 -0.000 0.000 0.272 339 R C -3.135 173.161 176.300 -0.007 0.000 0.995 339 R CA -2.144 53.950 56.100 -0.010 0.000 0.917 339 R CB 1.343 31.634 30.300 -0.014 0.000 1.217 339 R HN 0.142 nan 8.270 nan 0.000 0.471 340 P HA 0.186 nan 4.420 nan 0.000 0.275 340 P C -1.084 176.215 177.300 -0.002 0.000 1.228 340 P CA -0.378 62.723 63.100 0.001 0.000 0.786 340 P CB 0.789 32.493 31.700 0.006 0.000 0.927 341 V N 2.886 122.801 119.914 0.002 0.000 2.686 341 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 341 V C -0.352 175.746 176.094 0.007 0.000 1.065 341 V CA -0.670 61.629 62.300 -0.002 0.000 0.894 341 V CB 2.462 34.280 31.823 -0.010 0.000 1.004 341 V HN 0.187 nan 8.190 nan 0.000 0.424 342 V N 5.119 125.039 119.914 0.010 0.000 2.417 342 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 342 V C -0.043 176.057 176.094 0.010 0.000 1.024 342 V CA -0.675 61.636 62.300 0.019 0.000 0.861 342 V CB 1.890 33.735 31.823 0.037 0.000 0.985 342 V HN 0.600 nan 8.190 nan 0.000 0.436 343 V N 6.531 126.450 119.914 0.008 0.000 2.465 343 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 343 V C -0.020 176.081 176.094 0.012 0.000 1.045 343 V CA -0.193 62.104 62.300 -0.004 0.000 0.938 343 V CB 1.569 33.384 31.823 -0.015 0.000 0.986 343 V HN 0.746 nan 8.190 nan 0.000 0.467 344 I N 3.758 124.330 120.570 0.004 0.000 2.603 344 I HA 0.557 4.727 4.170 -0.000 0.000 0.300 344 I C -1.150 174.984 176.117 0.029 0.000 1.017 344 I CA -0.482 60.836 61.300 0.030 0.000 1.098 344 I CB 2.131 40.158 38.000 0.045 0.000 1.279 344 I HN 0.629 nan 8.210 nan 0.000 0.437 345 D N 6.781 127.236 120.400 0.092 0.000 2.454 345 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 345 D C -1.420 175.025 176.300 0.241 0.000 1.129 345 D CA -0.337 53.775 54.000 0.186 0.000 0.877 345 D CB 0.745 41.656 40.800 0.185 0.000 1.082 345 D HN 0.572 nan 8.370 nan 0.000 0.537 346 K N 2.233 122.834 120.400 0.334 0.000 2.502 346 K HA 0.636 4.956 4.320 -0.000 0.000 0.257 346 K C -0.801 176.041 176.600 0.404 0.000 0.938 346 K CA -0.826 55.631 56.287 0.284 0.000 0.819 346 K CB 2.287 34.892 32.500 0.174 0.000 1.333 346 K HN 0.179 nan 8.250 nan 0.000 0.434 347 M N 0.485 120.223 119.600 0.231 0.000 2.317 347 M HA 0.398 4.878 4.480 -0.000 0.000 0.217 347 M C 1.161 177.544 176.300 0.139 0.000 1.199 347 M CA -0.078 55.335 55.300 0.188 0.000 1.868 347 M CB 0.318 32.969 32.600 0.084 0.000 1.149 347 M HN 0.823 nan 8.290 nan 0.000 0.907 348 A N 0.091 122.976 122.820 0.108 0.000 1.997 348 A HA 0.355 4.675 4.320 -0.000 0.000 0.212 348 A C 1.177 178.793 177.584 0.053 0.000 1.178 348 A CA 0.768 52.851 52.037 0.077 0.000 0.698 348 A CB -1.040 18.004 19.000 0.072 0.000 0.842 348 A HN 0.684 nan 8.150 nan 0.000 0.458 349 G N -0.690 108.142 108.800 0.054 0.000 2.699 349 G HA2 0.272 4.232 3.960 -0.000 0.000 0.246 349 G HA3 0.272 4.232 3.960 -0.000 0.000 0.246 349 G C 0.519 175.440 174.900 0.035 0.000 1.219 349 G CA -0.077 45.045 45.100 0.037 0.000 0.866 349 G HN 0.337 nan 8.290 nan 0.000 0.572 350 K N -0.965 119.447 120.400 0.021 0.000 2.228 350 K HA 0.054 4.374 4.320 -0.000 0.000 0.202 350 K C 1.009 177.619 176.600 0.017 0.000 1.051 350 K CA 0.083 56.376 56.287 0.010 0.000 0.960 350 K CB 0.095 32.594 32.500 -0.002 0.000 0.743 350 K HN 0.198 nan 8.250 nan 0.000 0.458 351 V N 1.851 121.783 119.914 0.029 0.000 2.508 351 V HA 0.076 4.196 4.120 -0.000 0.000 0.281 351 V C -0.249 175.877 176.094 0.052 0.000 1.041 351 V CA -0.136 62.185 62.300 0.035 0.000 1.016 351 V CB 1.252 33.098 31.823 0.038 0.000 0.984 351 V HN -0.131 nan 8.190 nan 0.000 0.478 352 V N 4.656 124.599 119.914 0.048 0.000 2.638 352 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 352 V C 0.128 176.258 176.094 0.061 0.000 1.052 352 V CA -0.480 61.858 62.300 0.064 0.000 0.885 352 V CB 2.696 34.550 31.823 0.051 0.000 0.999 352 V HN 1.000 nan 8.190 nan 0.000 0.424 353 T N 3.585 118.185 114.554 0.077 0.000 2.902 353 T HA 0.873 5.223 4.350 -0.000 0.000 0.283 353 T C -0.531 174.209 174.700 0.067 0.000 1.009 353 T CA -0.526 61.614 62.100 0.067 0.000 1.051 353 T CB 1.592 70.501 68.868 0.069 0.000 0.999 353 T HN 0.788 nan 8.240 nan 0.000 0.474 354 I N -1.207 119.396 120.570 0.055 0.000 2.969 354 I HA 0.929 5.099 4.170 -0.000 0.000 0.307 354 I C -1.140 175.005 176.117 0.045 0.000 1.149 354 I CA -1.708 59.622 61.300 0.050 0.000 1.008 354 I CB 2.013 40.042 38.000 0.049 0.000 1.232 354 I HN 0.964 nan 8.210 nan 0.000 0.435 355 A N 3.081 125.926 122.820 0.041 0.000 2.427 355 A HA 0.910 5.230 4.320 -0.000 0.000 0.298 355 A C -0.715 176.887 177.584 0.031 0.000 1.036 355 A CA -0.412 51.648 52.037 0.038 0.000 0.701 355 A CB 1.468 20.495 19.000 0.044 0.000 1.250 355 A HN 1.291 nan 8.150 nan 0.000 0.412 356 A N 1.404 124.242 122.820 0.030 0.000 2.306 356 A HA 0.760 5.080 4.320 -0.000 0.000 0.314 356 A C 0.650 178.248 177.584 0.022 0.000 1.164 356 A CA 0.115 52.168 52.037 0.027 0.000 0.822 356 A CB 0.490 19.508 19.000 0.030 0.000 1.130 356 A HN 2.346 nan 8.150 nan 0.000 0.496 357 A N 1.431 124.262 122.820 0.018 0.000 2.511 357 A HA 0.463 4.783 4.320 -0.000 0.000 0.242 357 A C 1.557 179.151 177.584 0.018 0.000 1.069 357 A CA 0.345 52.392 52.037 0.015 0.000 0.763 357 A CB -0.292 18.713 19.000 0.010 0.000 1.001 357 A HN 2.089 nan 8.150 nan 0.000 0.498 358 A N 2.625 125.456 122.820 0.018 0.000 1.958 358 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 358 A C 1.984 179.578 177.584 0.016 0.000 1.178 358 A CA 2.120 54.168 52.037 0.018 0.000 0.642 358 A CB -0.774 18.237 19.000 0.018 0.000 0.816 358 A HN 1.371 nan 8.150 nan 0.000 0.453 359 V N 0.473 120.395 119.914 0.014 0.000 3.305 359 V HA -0.066 4.054 4.120 -0.000 0.000 0.269 359 V C 0.164 176.266 176.094 0.013 0.000 1.157 359 V CA 0.528 62.835 62.300 0.011 0.000 1.157 359 V CB -1.204 30.624 31.823 0.008 0.000 0.772 359 V HN 0.536 nan 8.190 nan 0.000 0.498 360 N N 1.720 120.430 118.700 0.016 0.000 2.483 360 N HA 0.188 4.928 4.740 -0.000 0.000 0.264 360 N C -2.535 172.989 175.510 0.023 0.000 1.197 360 N CA -1.070 51.992 53.050 0.019 0.000 0.927 360 N CB 0.533 39.035 38.487 0.024 0.000 1.065 360 N HN 0.258 nan 8.380 nan 0.000 0.461 361 P HA 0.160 nan 4.420 nan 0.000 0.275 361 P C -0.116 177.210 177.300 0.044 0.000 1.227 361 P CA -0.298 62.819 63.100 0.029 0.000 0.781 361 P CB 0.665 32.379 31.700 0.022 0.000 0.906 362 D N 0.245 120.676 120.400 0.052 0.000 2.311 362 D HA -0.152 4.488 4.640 -0.000 0.000 0.212 362 D C 1.715 178.081 176.300 0.109 0.000 0.972 362 D CA 1.502 55.543 54.000 0.068 0.000 0.887 362 D CB -0.298 40.540 40.800 0.063 0.000 0.915 362 D HN 0.370 nan 8.370 nan 0.000 0.497 363 S N -0.025 115.742 115.700 0.112 0.000 2.387 363 S HA -0.028 4.442 4.470 -0.000 0.000 0.226 363 S C 2.139 176.811 174.600 0.119 0.000 1.026 363 S CA 0.800 59.088 58.200 0.147 0.000 0.972 363 S CB -0.310 62.926 63.200 0.059 0.000 0.814 363 S HN 0.241 nan 8.310 nan 0.000 0.477 364 A N 1.887 124.750 122.820 0.073 0.000 1.898 364 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 364 A C 2.405 180.035 177.584 0.076 0.000 1.181 364 A CA 1.921 53.993 52.037 0.058 0.000 0.620 364 A CB -1.602 17.418 19.000 0.033 0.000 0.819 364 A HN 0.539 nan 8.150 nan 0.000 0.442 365 T N -0.241 114.358 114.554 0.076 0.000 2.708 365 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 365 T C 2.073 176.835 174.700 0.103 0.000 1.037 365 T CA 1.591 63.736 62.100 0.076 0.000 1.146 365 T CB -0.250 68.653 68.868 0.059 0.000 0.865 365 T HN 0.485 nan 8.240 nan 0.000 0.435 366 R N 0.902 121.479 120.500 0.127 0.000 2.091 366 R HA -0.047 4.293 4.340 -0.000 0.000 0.238 366 R C 2.586 179.020 176.300 0.223 0.000 1.136 366 R CA 1.254 57.446 56.100 0.153 0.000 0.959 366 R CB -0.166 30.234 30.300 0.165 0.000 0.856 366 R HN 0.395 nan 8.270 nan 0.000 0.437 367 K N 0.190 120.724 120.400 0.224 0.000 2.044 367 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 367 K C 2.141 178.888 176.600 0.245 0.000 1.049 367 K CA 1.677 58.094 56.287 0.217 0.000 0.927 367 K CB -0.198 32.377 32.500 0.124 0.000 0.713 367 K HN 0.168 nan 8.250 nan 0.000 0.443 368 A N 1.184 124.111 122.820 0.178 0.000 1.930 368 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 368 A C 2.107 179.816 177.584 0.208 0.000 1.175 368 A CA 1.187 53.333 52.037 0.182 0.000 0.627 368 A CB -0.509 18.559 19.000 0.114 0.000 0.815 368 A HN 0.180 nan 8.150 nan 0.000 0.443 369 I N -1.985 118.685 120.570 0.166 0.000 2.226 369 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 369 I C 2.457 178.654 176.117 0.133 0.000 1.100 369 I CA 1.714 63.087 61.300 0.122 0.000 1.374 369 I CB -0.449 37.601 38.000 0.084 0.000 1.057 369 I HN 0.539 nan 8.210 nan 0.000 0.413 370 Y N 1.005 121.357 120.300 0.087 0.000 2.097 370 Y HA -0.404 4.146 4.550 -0.000 0.000 0.282 370 Y C 2.663 178.623 175.900 0.101 0.000 1.152 370 Y CA 1.959 60.110 58.100 0.086 0.000 1.136 370 Y CB -0.889 37.645 38.460 0.124 0.000 0.975 370 Y HN 0.198 nan 8.280 nan 0.000 0.498 371 Y N 0.263 120.618 120.300 0.091 0.000 2.139 371 Y HA -0.342 4.208 4.550 -0.000 0.000 0.282 371 Y C 2.065 177.915 175.900 -0.083 0.000 1.179 371 Y CA 2.232 60.331 58.100 -0.001 0.000 1.161 371 Y CB -0.502 38.008 38.460 0.082 0.000 0.970 371 Y HN 0.215 nan 8.280 nan 0.000 0.511 372 L N -0.147 120.986 121.223 -0.151 0.000 2.056 372 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 372 L C 2.579 179.305 176.870 -0.240 0.000 1.078 372 L CA 1.554 56.260 54.840 -0.223 0.000 0.749 372 L CB -0.634 41.407 42.059 -0.030 0.000 0.901 372 L HN 0.284 nan 8.230 nan 0.000 0.433 373 Q N -0.543 119.137 119.800 -0.201 0.000 2.124 373 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 373 Q C 2.044 177.889 176.000 -0.259 0.000 0.977 373 Q CA 1.289 56.976 55.803 -0.193 0.000 0.850 373 Q CB -0.052 28.588 28.738 -0.162 0.000 0.901 373 Q HN 0.288 nan 8.270 nan 0.000 0.429 374 Q N 0.216 119.781 119.800 -0.393 0.000 2.515 374 Q HA -0.062 4.278 4.340 -0.000 0.000 0.212 374 Q C 0.611 176.442 176.000 -0.281 0.000 0.970 374 Q CA 0.892 56.474 55.803 -0.368 0.000 0.941 374 Q CB 0.379 28.821 28.738 -0.493 0.000 0.998 374 Q HN 0.342 nan 8.270 nan 0.000 0.518 375 Q N -2.253 117.370 119.800 -0.295 0.000 2.194 375 Q HA 0.279 4.619 4.340 -0.000 0.000 0.214 375 Q C 0.464 176.374 176.000 -0.151 0.000 0.838 375 Q CA 0.323 55.983 55.803 -0.238 0.000 0.972 375 Q CB 1.117 29.662 28.738 -0.322 0.000 1.131 375 Q HN 0.415 nan 8.270 nan 0.000 0.498 376 G N 1.601 110.320 108.800 -0.134 0.000 2.194 376 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 376 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 376 G C 0.085 174.942 174.900 -0.071 0.000 0.987 376 G CA -0.246 44.802 45.100 -0.087 0.000 0.635 376 G HN 0.182 nan 8.290 nan 0.000 0.520 377 K N 1.337 121.688 120.400 -0.082 0.000 2.218 377 K HA 0.534 4.854 4.320 -0.000 0.000 0.276 377 K C 0.083 176.658 176.600 -0.042 0.000 1.022 377 K CA 0.094 56.350 56.287 -0.051 0.000 0.946 377 K CB 0.862 33.335 32.500 -0.046 0.000 1.000 377 K HN 0.082 nan 8.250 nan 0.000 0.468 378 T N 2.149 116.691 114.554 -0.021 0.000 2.729 378 T HA 0.171 4.521 4.350 -0.000 0.000 0.296 378 T C -0.274 174.425 174.700 -0.002 0.000 0.928 378 T CA -0.661 61.431 62.100 -0.014 0.000 1.045 378 T CB 0.416 69.281 68.868 -0.006 0.000 0.902 378 T HN 0.137 nan 8.240 nan 0.000 0.500 379 V N 6.165 126.077 119.914 -0.003 0.000 2.385 379 V HA 0.327 4.447 4.120 -0.000 0.000 0.269 379 V C 0.126 176.227 176.094 0.013 0.000 1.043 379 V CA -0.613 61.693 62.300 0.010 0.000 0.906 379 V CB 0.393 32.222 31.823 0.011 0.000 0.995 379 V HN 0.731 nan 8.190 nan 0.000 0.467 380 L N 4.950 126.185 121.223 0.020 0.000 2.307 380 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 380 L C 0.012 176.895 176.870 0.023 0.000 1.023 380 L CA -0.248 54.603 54.840 0.018 0.000 0.810 380 L CB 1.686 43.757 42.059 0.019 0.000 1.231 380 L HN 0.615 nan 8.230 nan 0.000 0.423 381 Q N 4.470 124.280 119.800 0.017 0.000 2.278 381 Q HA 0.628 4.968 4.340 -0.000 0.000 0.257 381 Q C -0.805 175.205 176.000 0.015 0.000 0.928 381 Q CA -0.447 55.368 55.803 0.020 0.000 0.932 381 Q CB 1.593 30.342 28.738 0.018 0.000 1.221 381 Q HN 0.642 nan 8.270 nan 0.000 0.434 382 I N -0.555 120.028 120.570 0.021 0.000 3.445 382 I HA 0.870 5.040 4.170 -0.000 0.000 0.303 382 I C -0.493 175.635 176.117 0.020 0.000 1.129 382 I CA -1.476 59.830 61.300 0.012 0.000 0.989 382 I CB 1.342 39.349 38.000 0.010 0.000 1.314 382 I HN 0.593 nan 8.210 nan 0.000 0.488 383 A N 0.964 123.789 122.820 0.008 0.000 2.406 383 A HA 0.124 4.444 4.320 -0.000 0.000 0.243 383 A C -0.134 177.498 177.584 0.079 0.000 1.082 383 A CA 0.009 52.064 52.037 0.031 0.000 0.786 383 A CB -0.070 18.936 19.000 0.010 0.000 1.029 383 A HN 0.770 nan 8.150 nan 0.000 0.495 384 D N 0.299 120.746 120.400 0.079 0.000 2.545 384 D HA 0.186 4.826 4.640 -0.000 0.000 0.227 384 D C -1.220 175.150 176.300 0.118 0.000 1.150 384 D CA 0.533 54.579 54.000 0.076 0.000 1.046 384 D CB -0.680 40.145 40.800 0.042 0.000 1.098 384 D HN 0.339 nan 8.370 nan 0.000 0.502 385 Y N 2.862 123.145 120.300 -0.028 0.000 2.331 385 Y HA 0.403 4.953 4.550 -0.000 0.000 0.338 385 Y C -2.339 173.520 175.900 -0.068 0.000 0.976 385 Y CA -2.962 55.120 58.100 -0.031 0.000 1.137 385 Y CB 1.297 39.762 38.460 0.008 0.000 1.172 385 Y HN 0.169 nan 8.280 nan 0.000 0.478 386 P HA 0.080 nan 4.420 nan 0.000 0.260 386 P C 0.631 177.704 177.300 -0.377 0.000 1.172 386 P CA 2.234 65.058 63.100 -0.459 0.000 0.760 386 P CB 0.432 31.703 31.700 -0.716 0.000 0.773 387 G N 2.901 111.584 108.800 -0.196 0.000 2.220 387 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.269 387 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.269 387 G C 0.666 175.574 174.900 0.013 0.000 0.977 387 G CA 0.384 45.430 45.100 -0.090 0.000 0.634 387 G HN 0.475 nan 8.290 nan 0.000 0.539 388 M N -2.346 117.271 119.600 0.027 0.000 7.319 388 M HA -0.276 4.204 4.480 -0.000 0.000 0.312 388 M C 1.818 178.270 176.300 0.254 0.000 0.480 388 M CA 2.520 57.937 55.300 0.195 0.000 1.311 388 M CB -1.722 30.967 32.600 0.148 0.000 0.421 388 M HN 0.374 nan 8.290 nan 0.000 0.740 389 L N -1.779 119.562 121.223 0.196 0.000 2.738 389 L HA 0.232 4.572 4.340 -0.000 0.000 0.175 389 L C 2.335 179.272 176.870 0.113 0.000 1.125 389 L CA 0.176 55.106 54.840 0.151 0.000 0.857 389 L CB -0.199 41.921 42.059 0.102 0.000 1.300 389 L HN 0.514 nan 8.230 nan 0.000 0.499 390 I N -0.515 120.129 120.570 0.124 0.000 2.113 390 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 390 I C 2.264 178.358 176.117 -0.038 0.000 1.070 390 I CA 2.012 63.348 61.300 0.060 0.000 1.332 390 I CB -0.225 37.815 38.000 0.066 0.000 1.044 390 I HN 0.298 nan 8.210 nan 0.000 0.402 391 W N 0.907 122.201 121.300 -0.010 0.000 2.388 391 W HA -0.131 4.529 4.660 -0.000 0.000 0.294 391 W C 2.841 179.329 176.519 -0.052 0.000 1.212 391 W CA 1.226 58.536 57.345 -0.057 0.000 1.271 391 W CB -0.309 29.120 29.460 -0.052 0.000 1.126 391 W HN 0.022 nan 8.180 nan 0.000 0.535 392 R N -0.277 120.327 120.500 0.173 0.000 2.081 392 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 392 R C 1.917 178.265 176.300 0.081 0.000 1.131 392 R CA 2.170 58.332 56.100 0.104 0.000 0.960 392 R CB -0.593 29.748 30.300 0.068 0.000 0.856 392 R HN 0.002 nan 8.270 nan 0.000 0.436 393 T N -0.076 114.506 114.554 0.047 0.000 2.812 393 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 393 T C 1.758 176.446 174.700 -0.020 0.000 1.042 393 T CA 1.273 63.386 62.100 0.022 0.000 1.140 393 T CB 0.004 68.871 68.868 -0.002 0.000 0.870 393 T HN 0.029 nan 8.240 nan 0.000 0.445 394 V N 1.767 121.599 119.914 -0.137 0.000 2.379 394 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 394 V C 2.920 178.858 176.094 -0.261 0.000 1.044 394 V CA 1.436 63.527 62.300 -0.348 0.000 1.036 394 V CB -1.257 30.056 31.823 -0.850 0.000 0.664 394 V HN 0.493 nan 8.190 nan 0.000 0.453 395 A N -0.062 122.668 122.820 -0.149 0.000 1.903 395 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 395 A C 2.246 179.855 177.584 0.042 0.000 1.191 395 A CA 2.419 54.449 52.037 -0.012 0.000 0.638 395 A CB -0.522 18.532 19.000 0.090 0.000 0.823 395 A HN 0.415 nan 8.150 nan 0.000 0.451 396 M N -0.918 118.718 119.600 0.060 0.000 2.175 396 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 396 M C 2.205 178.547 176.300 0.070 0.000 1.063 396 M CA 1.129 56.472 55.300 0.071 0.000 1.119 396 M CB -1.080 31.569 32.600 0.081 0.000 1.377 396 M HN 0.442 nan 8.290 nan 0.000 0.415 397 I N 0.232 120.847 120.570 0.076 0.000 2.163 397 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 397 I C 2.301 178.509 176.117 0.152 0.000 1.085 397 I CA 1.345 62.728 61.300 0.138 0.000 1.347 397 I CB -0.321 37.773 38.000 0.156 0.000 1.044 397 I HN 0.186 nan 8.210 nan 0.000 0.408 398 I N 0.451 121.083 120.570 0.103 0.000 2.226 398 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 398 I C 2.314 178.541 176.117 0.183 0.000 1.100 398 I CA 1.290 62.684 61.300 0.156 0.000 1.374 398 I CB -0.517 37.541 38.000 0.097 0.000 1.057 398 I HN 0.297 nan 8.210 nan 0.000 0.413 399 N N 0.974 119.756 118.700 0.137 0.000 2.069 399 N HA -0.257 4.483 4.740 -0.000 0.000 0.191 399 N C 1.786 177.347 175.510 0.084 0.000 1.031 399 N CA 1.579 54.694 53.050 0.109 0.000 0.852 399 N CB -0.097 38.435 38.487 0.075 0.000 1.018 399 N HN 0.176 nan 8.380 nan 0.000 0.423 400 E N 0.040 120.290 120.200 0.082 0.000 2.077 400 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 400 E C 1.750 178.437 176.600 0.145 0.000 0.989 400 E CA 1.329 57.787 56.400 0.097 0.000 0.800 400 E CB -0.577 29.200 29.700 0.127 0.000 0.746 400 E HN 0.415 nan 8.360 nan 0.000 0.452 401 A N 0.179 123.101 122.820 0.170 0.000 1.902 401 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 401 A C 2.300 179.974 177.584 0.149 0.000 1.181 401 A CA 1.342 53.487 52.037 0.179 0.000 0.623 401 A CB -0.690 18.437 19.000 0.212 0.000 0.818 401 A HN 0.327 nan 8.150 nan 0.000 0.443 402 L N -0.788 120.517 121.223 0.137 0.000 2.093 402 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 402 L C 2.366 179.273 176.870 0.062 0.000 1.085 402 L CA 1.792 56.682 54.840 0.084 0.000 0.755 402 L CB -0.465 41.633 42.059 0.064 0.000 0.904 402 L HN 0.507 nan 8.230 nan 0.000 0.435 403 D N -0.189 120.252 120.400 0.069 0.000 2.144 403 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 403 D C 2.159 178.512 176.300 0.089 0.000 0.978 403 D CA 1.188 55.222 54.000 0.058 0.000 0.833 403 D CB 0.180 41.000 40.800 0.033 0.000 0.961 403 D HN 0.253 nan 8.370 nan 0.000 0.470 404 A N 0.011 122.903 122.820 0.120 0.000 1.933 404 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 404 A C 2.110 179.769 177.584 0.125 0.000 1.175 404 A CA 1.241 53.367 52.037 0.148 0.000 0.628 404 A CB -0.836 18.268 19.000 0.174 0.000 0.814 404 A HN 0.396 nan 8.150 nan 0.000 0.444 405 L N -0.277 121.007 121.223 0.103 0.000 2.056 405 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 405 L C 2.439 179.347 176.870 0.063 0.000 1.078 405 L CA 2.594 57.483 54.840 0.081 0.000 0.749 405 L CB -0.781 41.318 42.059 0.066 0.000 0.901 405 L HN 0.573 nan 8.230 nan 0.000 0.433 406 Q N -0.778 119.053 119.800 0.050 0.000 2.124 406 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 406 Q C 1.281 177.311 176.000 0.050 0.000 0.977 406 Q CA 1.284 57.109 55.803 0.036 0.000 0.850 406 Q CB 0.117 28.869 28.738 0.023 0.000 0.901 406 Q HN 0.323 nan 8.270 nan 0.000 0.429 407 K N -0.735 119.709 120.400 0.073 0.000 2.458 407 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 407 K C 0.744 177.392 176.600 0.081 0.000 1.024 407 K CA 0.752 57.088 56.287 0.083 0.000 1.108 407 K CB 0.379 32.950 32.500 0.119 0.000 0.846 407 K HN 0.399 nan 8.250 nan 0.000 0.518 408 G N 1.226 110.078 108.800 0.088 0.000 2.176 408 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 408 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 408 G C 0.951 175.966 174.900 0.192 0.000 1.024 408 G CA 0.431 45.595 45.100 0.106 0.000 0.755 408 G HN 0.156 nan 8.290 nan 0.000 0.507 409 V N -0.779 119.248 119.914 0.188 0.000 2.343 409 V HA 0.299 4.419 4.120 -0.000 0.000 0.247 409 V C 1.710 177.924 176.094 0.199 0.000 1.051 409 V CA 2.844 65.283 62.300 0.232 0.000 1.036 409 V CB -0.569 31.376 31.823 0.204 0.000 0.654 409 V HN 1.893 nan 8.190 nan 0.000 0.451 410 A N -0.950 121.954 122.820 0.141 0.000 2.566 410 A HA 0.620 4.940 4.320 -0.000 0.000 0.290 410 A C -0.146 177.481 177.584 0.073 0.000 1.071 410 A CA 0.083 52.168 52.037 0.079 0.000 0.658 410 A CB 0.856 19.897 19.000 0.068 0.000 1.285 410 A HN 0.315 nan 8.150 nan 0.000 0.427 411 S N -0.388 115.340 115.700 0.046 0.000 2.600 411 S HA 0.271 4.741 4.470 -0.000 0.000 0.265 411 S C 0.931 175.565 174.600 0.057 0.000 1.325 411 S CA 0.664 58.892 58.200 0.046 0.000 1.002 411 S CB 1.012 64.228 63.200 0.028 0.000 0.921 411 S HN 0.996 nan 8.310 nan 0.000 0.554 412 E N 1.063 121.299 120.200 0.060 0.000 2.058 412 E HA -0.345 4.005 4.350 -0.000 0.000 0.194 412 E C 2.121 178.765 176.600 0.074 0.000 0.997 412 E CA 1.812 58.258 56.400 0.077 0.000 0.801 412 E CB -0.410 29.337 29.700 0.079 0.000 0.746 412 E HN 0.923 nan 8.360 nan 0.000 0.450 413 Q N 0.060 119.893 119.800 0.054 0.000 2.170 413 Q HA -0.195 4.145 4.340 -0.000 0.000 0.203 413 Q C 1.410 177.428 176.000 0.032 0.000 0.976 413 Q CA 1.831 57.660 55.803 0.042 0.000 0.858 413 Q CB -0.074 28.680 28.738 0.028 0.000 0.907 413 Q HN 0.202 nan 8.270 nan 0.000 0.433 414 D N 0.786 121.203 120.400 0.028 0.000 2.234 414 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 414 D C 1.883 178.202 176.300 0.033 0.000 0.962 414 D CA 0.737 54.747 54.000 0.017 0.000 0.855 414 D CB 0.021 40.825 40.800 0.006 0.000 0.951 414 D HN 0.359 nan 8.370 nan 0.000 0.500 415 I N 0.915 121.521 120.570 0.060 0.000 2.202 415 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 415 I C 1.827 177.990 176.117 0.076 0.000 1.091 415 I CA 0.958 62.308 61.300 0.082 0.000 1.368 415 I CB -0.080 37.987 38.000 0.113 0.000 1.058 415 I HN -0.131 nan 8.210 nan 0.000 0.410 416 D N 0.621 121.069 120.400 0.079 0.000 2.084 416 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 416 D C 2.229 178.542 176.300 0.021 0.000 0.990 416 D CA 1.721 55.766 54.000 0.075 0.000 0.826 416 D CB -0.450 40.399 40.800 0.081 0.000 0.971 416 D HN 0.237 nan 8.370 nan 0.000 0.453 417 T N 0.885 115.440 114.554 0.002 0.000 2.684 417 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 417 T C 2.012 176.670 174.700 -0.070 0.000 1.036 417 T CA 1.716 63.796 62.100 -0.034 0.000 1.148 417 T CB -0.404 68.445 68.868 -0.032 0.000 0.863 417 T HN 0.207 nan 8.240 nan 0.000 0.436 418 A N 1.798 124.584 122.820 -0.056 0.000 1.917 418 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 418 A C 2.247 179.729 177.584 -0.169 0.000 1.182 418 A CA 1.671 53.650 52.037 -0.097 0.000 0.633 418 A CB -0.555 18.435 19.000 -0.018 0.000 0.819 418 A HN 0.325 nan 8.150 nan 0.000 0.448 419 M N -0.882 118.640 119.600 -0.131 0.000 2.254 419 M HA 0.025 4.505 4.480 -0.000 0.000 0.265 419 M C 2.078 178.229 176.300 -0.249 0.000 1.066 419 M CA 1.077 56.227 55.300 -0.251 0.000 1.123 419 M CB -1.284 31.256 32.600 -0.101 0.000 1.388 419 M HN 0.394 nan 8.290 nan 0.000 0.425 420 R N 0.038 120.458 120.500 -0.134 0.000 2.081 420 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 420 R C 2.188 178.395 176.300 -0.156 0.000 1.131 420 R CA 1.176 57.200 56.100 -0.128 0.000 0.960 420 R CB -0.255 29.982 30.300 -0.104 0.000 0.856 420 R HN 0.334 nan 8.270 nan 0.000 0.436 421 L N -1.666 119.448 121.223 -0.181 0.000 2.253 421 L HA 0.127 4.467 4.340 -0.000 0.000 0.205 421 L C 2.443 179.133 176.870 -0.300 0.000 1.078 421 L CA 0.762 55.483 54.840 -0.197 0.000 0.805 421 L CB -0.362 41.597 42.059 -0.166 0.000 0.963 421 L HN 0.303 nan 8.230 nan 0.000 0.459 422 G N 0.005 108.542 108.800 -0.439 0.000 2.421 422 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.217 422 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.217 422 G C 1.156 175.807 174.900 -0.416 0.000 1.143 422 G CA 1.307 45.977 45.100 -0.717 0.000 0.784 422 G HN 0.316 nan 8.290 nan 0.000 0.541 423 V N -4.173 115.544 119.914 -0.328 0.000 3.329 423 V HA 0.364 4.484 4.120 -0.000 0.000 0.317 423 V C 0.518 176.553 176.094 -0.099 0.000 1.495 423 V CA -0.394 61.778 62.300 -0.213 0.000 1.105 423 V CB -0.677 30.936 31.823 -0.351 0.000 0.985 423 V HN 0.251 nan 8.190 nan 0.000 0.475 424 N N 1.270 119.905 118.700 -0.109 0.000 2.727 424 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 424 N C -0.681 174.889 175.510 0.100 0.000 1.048 424 N CA 0.728 53.766 53.050 -0.020 0.000 0.714 424 N CB -0.723 37.766 38.487 0.003 0.000 0.959 424 N HN 0.615 nan 8.380 nan 0.000 0.544 425 Y N 0.389 120.617 120.300 -0.120 0.000 2.397 425 Y HA 0.107 4.657 4.550 -0.000 0.000 0.335 425 Y C -0.790 174.847 175.900 -0.438 0.000 1.213 425 Y CA -1.983 55.991 58.100 -0.211 0.000 1.391 425 Y CB -0.101 38.324 38.460 -0.059 0.000 1.293 425 Y HN 0.087 nan 8.280 nan 0.000 0.557 426 P HA -0.076 nan 4.420 nan 0.000 0.229 426 P C -0.909 175.608 177.300 -1.304 0.000 1.160 426 P CA 1.381 63.947 63.100 -0.890 0.000 0.777 426 P CB 0.414 31.518 31.700 -0.994 0.000 0.814 427 Y N -1.230 118.573 120.300 -0.827 0.000 2.562 427 Y HA 0.554 5.104 4.550 -0.000 0.000 0.345 427 Y C 1.064 176.825 175.900 -0.233 0.000 1.045 427 Y CA -1.292 56.450 58.100 -0.597 0.000 1.028 427 Y CB 1.039 38.934 38.460 -0.941 0.000 1.297 427 Y HN -0.236 nan 8.280 nan 0.000 0.463 428 G N 1.877 110.722 108.800 0.075 0.000 2.432 428 G HA2 0.258 4.218 3.960 -0.000 0.000 0.239 428 G HA3 0.258 4.218 3.960 -0.000 0.000 0.239 428 G C -2.005 173.071 174.900 0.293 0.000 1.291 428 G CA -0.961 44.236 45.100 0.162 0.000 0.863 428 G HN 0.429 nan 8.290 nan 0.000 0.560 429 P HA -0.092 nan 4.420 nan 0.000 0.218 429 P C 1.910 179.414 177.300 0.339 0.000 1.149 429 P CA 0.768 64.116 63.100 0.413 0.000 0.817 429 P CB 0.204 32.113 31.700 0.348 0.000 0.785 430 L N -0.895 120.515 121.223 0.312 0.000 2.072 430 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 430 L C 2.631 179.683 176.870 0.304 0.000 1.079 430 L CA 1.413 56.484 54.840 0.384 0.000 0.752 430 L CB -1.344 40.906 42.059 0.318 0.000 0.906 430 L HN -0.089 nan 8.230 nan 0.000 0.436 431 A N -0.637 122.310 122.820 0.211 0.000 1.933 431 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 431 A C 2.093 179.708 177.584 0.051 0.000 1.175 431 A CA 1.248 53.357 52.037 0.119 0.000 0.628 431 A CB -0.866 18.192 19.000 0.097 0.000 0.814 431 A HN 0.589 nan 8.150 nan 0.000 0.444 432 W N 0.660 121.886 121.300 -0.123 0.000 2.381 432 W HA -0.054 4.606 4.660 -0.000 0.000 0.301 432 W C 2.339 178.623 176.519 -0.392 0.000 1.205 432 W CA 1.223 58.397 57.345 -0.284 0.000 1.285 432 W CB -1.036 28.327 29.460 -0.161 0.000 1.133 432 W HN 0.317 nan 8.180 nan 0.000 0.521 433 G N 0.020 108.682 108.800 -0.229 0.000 2.422 433 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 433 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 433 G C 1.704 175.783 174.900 -1.368 0.000 1.146 433 G CA 1.646 46.209 45.100 -0.895 0.000 0.769 433 G HN 0.314 nan 8.290 nan 0.000 0.547 434 A N 0.127 122.420 122.820 -0.879 0.000 1.902 434 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 434 A C 2.271 179.645 177.584 -0.350 0.000 1.181 434 A CA 1.987 53.703 52.037 -0.535 0.000 0.623 434 A CB -0.497 18.507 19.000 0.006 0.000 0.818 434 A HN 0.443 nan 8.150 nan 0.000 0.443 435 Q N -0.454 119.194 119.800 -0.255 0.000 2.084 435 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 435 Q C 1.915 177.821 176.000 -0.157 0.000 0.978 435 Q CA 1.504 57.197 55.803 -0.182 0.000 0.844 435 Q CB -0.161 28.445 28.738 -0.219 0.000 0.898 435 Q HN 0.688 nan 8.270 nan 0.000 0.426 436 L N -0.699 120.403 121.223 -0.202 0.000 2.341 436 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 436 L C 0.753 177.579 176.870 -0.072 0.000 1.115 436 L CA 0.458 55.247 54.840 -0.085 0.000 0.820 436 L CB 0.077 42.036 42.059 -0.167 0.000 0.944 436 L HN 0.404 nan 8.230 nan 0.000 0.452 437 G N -1.494 107.147 108.800 -0.266 0.000 3.355 437 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 437 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 437 G C -0.270 174.531 174.900 -0.165 0.000 1.097 437 G CA -0.546 44.439 45.100 -0.191 0.000 0.881 437 G HN 0.238 nan 8.290 nan 0.000 0.550 438 W N 0.625 121.970 121.300 0.074 0.000 2.363 438 W HA -0.052 4.608 4.660 0.000 0.000 0.296 438 W C 2.792 179.346 176.519 0.058 0.000 1.212 438 W CA 1.472 58.857 57.345 0.067 0.000 1.260 438 W CB -0.077 29.424 29.460 0.067 0.000 1.131 438 W HN 0.742 nan 8.180 nan 0.000 0.530 439 Q N 0.047 119.996 119.800 0.248 0.000 2.167 439 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 439 Q C 2.252 178.313 176.000 0.101 0.000 0.970 439 Q CA 1.235 57.129 55.803 0.151 0.000 0.855 439 Q CB -0.315 28.488 28.738 0.109 0.000 0.911 439 Q HN 0.305 nan 8.270 nan 0.000 0.438 440 R N 0.443 120.991 120.500 0.080 0.000 2.075 440 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 440 R C 1.988 178.338 176.300 0.083 0.000 1.126 440 R CA 1.077 57.201 56.100 0.040 0.000 0.963 440 R CB 0.017 30.328 30.300 0.019 0.000 0.858 440 R HN 0.176 nan 8.270 nan 0.000 0.435 441 I N 1.173 121.826 120.570 0.138 0.000 2.252 441 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 441 I C 2.357 178.563 176.117 0.149 0.000 1.102 441 I CA 0.853 62.251 61.300 0.164 0.000 1.385 441 I CB -1.216 36.883 38.000 0.164 0.000 1.064 441 I HN 0.283 nan 8.210 nan 0.000 0.414 442 L N 1.277 122.594 121.223 0.158 0.000 1.989 442 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 442 L C 2.830 179.751 176.870 0.085 0.000 1.071 442 L CA 1.931 56.847 54.840 0.126 0.000 0.749 442 L CB -0.696 41.437 42.059 0.124 0.000 0.890 442 L HN 0.133 nan 8.230 nan 0.000 0.431 443 R N -0.823 119.714 120.500 0.062 0.000 2.091 443 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 443 R C 2.315 178.627 176.300 0.021 0.000 1.136 443 R CA 1.985 58.102 56.100 0.027 0.000 0.959 443 R CB -0.561 29.740 30.300 0.001 0.000 0.856 443 R HN 0.456 nan 8.270 nan 0.000 0.437 444 L N 1.209 122.447 121.223 0.025 0.000 1.989 444 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 444 L C 2.062 178.960 176.870 0.047 0.000 1.071 444 L CA 1.783 56.636 54.840 0.022 0.000 0.749 444 L CB -0.621 41.471 42.059 0.055 0.000 0.890 444 L HN 0.267 nan 8.230 nan 0.000 0.431 445 L N -0.667 120.608 121.223 0.087 0.000 2.083 445 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 445 L C 2.567 179.508 176.870 0.118 0.000 1.083 445 L CA 1.539 56.452 54.840 0.122 0.000 0.752 445 L CB -0.662 41.484 42.059 0.146 0.000 0.899 445 L HN 0.393 nan 8.230 nan 0.000 0.433 446 E N -0.053 120.202 120.200 0.092 0.000 2.085 446 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 446 E C 1.950 178.607 176.600 0.094 0.000 0.994 446 E CA 1.108 57.560 56.400 0.088 0.000 0.801 446 E CB -0.078 29.655 29.700 0.056 0.000 0.743 446 E HN 0.460 nan 8.360 nan 0.000 0.453 447 N N 0.710 119.445 118.700 0.058 0.000 2.106 447 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 447 N C 1.997 177.546 175.510 0.065 0.000 1.029 447 N CA 0.811 53.894 53.050 0.054 0.000 0.848 447 N CB -0.239 38.245 38.487 -0.005 0.000 1.007 447 N HN 0.145 nan 8.380 nan 0.000 0.423 448 L N 1.159 122.392 121.223 0.017 0.000 2.042 448 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 448 L C 2.641 179.583 176.870 0.119 0.000 1.076 448 L CA 1.268 56.089 54.840 -0.032 0.000 0.749 448 L CB -0.515 41.408 42.059 -0.227 0.000 0.893 448 L HN 0.290 nan 8.230 nan 0.000 0.432 449 Q N -0.385 119.530 119.800 0.191 0.000 2.084 449 Q HA -0.292 4.048 4.340 -0.000 0.000 0.202 449 Q C 2.226 178.337 176.000 0.186 0.000 0.978 449 Q CA 2.072 58.023 55.803 0.246 0.000 0.844 449 Q CB -0.098 28.764 28.738 0.207 0.000 0.898 449 Q HN 0.544 nan 8.270 nan 0.000 0.426 450 H N -0.815 118.299 119.070 0.074 0.000 2.321 450 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 450 H C 1.975 177.297 175.328 -0.011 0.000 1.087 450 H CA 2.418 58.483 56.048 0.029 0.000 1.319 450 H CB -0.346 29.423 29.762 0.011 0.000 1.379 450 H HN 0.458 nan 8.280 nan 0.000 0.501 451 H N -1.224 117.747 119.070 -0.164 0.000 2.319 451 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 451 H C 1.397 176.456 175.328 -0.447 0.000 1.092 451 H CA 2.385 58.206 56.048 -0.378 0.000 1.302 451 H CB -0.212 29.238 29.762 -0.520 0.000 1.373 451 H HN 0.440 nan 8.280 nan 0.000 0.497 452 Y N -0.910 119.399 120.300 0.015 0.000 2.490 452 Y HA 0.179 4.729 4.550 -0.000 0.000 0.285 452 Y C 2.084 177.986 175.900 0.004 0.000 1.117 452 Y CA 0.611 58.727 58.100 0.028 0.000 1.262 452 Y CB 0.075 38.605 38.460 0.117 0.000 1.043 452 Y HN 0.436 nan 8.280 nan 0.000 0.553 453 G N 1.118 109.981 108.800 0.105 0.000 2.249 453 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.273 453 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.273 453 G C -0.202 174.773 174.900 0.124 0.000 1.036 453 G CA 0.281 45.419 45.100 0.062 0.000 0.824 453 G HN 0.426 nan 8.290 nan 0.000 0.504 454 E N -0.873 119.454 120.200 0.211 0.000 2.166 454 E HA 0.373 4.723 4.350 -0.000 0.000 0.275 454 E C 0.984 177.658 176.600 0.124 0.000 0.941 454 E CA -0.400 56.103 56.400 0.173 0.000 0.784 454 E CB 1.322 31.159 29.700 0.227 0.000 1.115 454 E HN 0.355 nan 8.360 nan 0.000 0.399 455 E N 3.819 124.051 120.200 0.053 0.000 2.209 455 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 455 E C 1.889 178.454 176.600 -0.058 0.000 0.993 455 E CA 1.152 57.560 56.400 0.013 0.000 0.819 455 E CB 0.162 29.866 29.700 0.006 0.000 0.745 455 E HN 0.439 nan 8.360 nan 0.000 0.477 456 R N -0.575 119.841 120.500 -0.140 0.000 2.117 456 R HA -0.194 4.146 4.340 -0.000 0.000 0.243 456 R C 0.921 176.927 176.300 -0.490 0.000 1.143 456 R CA 1.718 57.595 56.100 -0.371 0.000 0.968 456 R CB -0.217 29.765 30.300 -0.531 0.000 0.863 456 R HN 0.322 nan 8.270 nan 0.000 0.444 457 Y N 1.255 121.555 120.300 -0.000 0.000 2.493 457 Y HA 0.137 4.687 4.550 -0.000 0.000 0.275 457 Y C 0.122 176.040 175.900 0.031 0.000 1.183 457 Y CA -0.345 57.767 58.100 0.021 0.000 1.258 457 Y CB -0.087 38.412 38.460 0.066 0.000 1.108 457 Y HN 0.039 nan 8.280 nan 0.000 0.521 458 R N 1.300 121.847 120.500 0.079 0.000 2.502 458 R HA 0.098 4.438 4.340 -0.000 0.000 0.292 458 R C -2.927 173.407 176.300 0.058 0.000 0.998 458 R CA -1.511 54.628 56.100 0.065 0.000 1.056 458 R CB -0.377 29.939 30.300 0.027 0.000 0.939 458 R HN -0.016 nan 8.270 nan 0.000 0.411 459 P HA 0.000 nan 4.420 nan 0.000 0.271 459 P C 0.062 177.386 177.300 0.040 0.000 1.220 459 P CA -0.576 62.565 63.100 0.067 0.000 0.768 459 P CB 0.480 32.224 31.700 0.072 0.000 0.848 460 C N 1.217 120.536 119.300 0.033 0.000 2.580 460 C HA 0.301 4.761 4.460 -0.000 0.000 0.371 460 C C 2.371 177.366 174.990 0.008 0.000 1.308 460 C CA 0.196 59.223 59.018 0.014 0.000 2.428 460 C CB 0.067 27.813 27.740 0.010 0.000 2.529 460 C HN 0.637 nan 8.230 nan 0.000 0.657 461 S N 0.578 116.279 115.700 0.001 0.000 2.383 461 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 461 S C 1.596 176.180 174.600 -0.027 0.000 1.030 461 S CA 1.843 60.039 58.200 -0.007 0.000 1.002 461 S CB -0.624 62.574 63.200 -0.004 0.000 0.829 461 S HN 0.903 nan 8.310 nan 0.000 0.467 462 L N 0.998 122.199 121.223 -0.038 0.000 2.201 462 L HA 0.176 4.516 4.340 -0.000 0.000 0.212 462 L C 2.064 178.852 176.870 -0.137 0.000 1.105 462 L CA 1.303 56.092 54.840 -0.085 0.000 0.775 462 L CB -0.777 41.232 42.059 -0.083 0.000 0.913 462 L HN 0.445 nan 8.230 nan 0.000 0.440 463 L N -0.341 120.837 121.223 -0.076 0.000 2.017 463 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 463 L C 2.660 179.514 176.870 -0.027 0.000 1.073 463 L CA 1.686 56.498 54.840 -0.045 0.000 0.745 463 L CB -0.636 41.465 42.059 0.070 0.000 0.894 463 L HN 0.230 nan 8.230 nan 0.000 0.432 464 R N -0.756 119.739 120.500 -0.008 0.000 2.091 464 R HA -0.243 4.097 4.340 -0.000 0.000 0.238 464 R C 2.290 178.571 176.300 -0.031 0.000 1.136 464 R CA 1.821 57.920 56.100 -0.001 0.000 0.959 464 R CB -0.648 29.654 30.300 0.003 0.000 0.856 464 R HN 0.592 nan 8.270 nan 0.000 0.437 465 Q N 0.980 120.742 119.800 -0.063 0.000 2.096 465 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 465 Q C 2.053 177.978 176.000 -0.125 0.000 0.982 465 Q CA 1.540 57.293 55.803 -0.084 0.000 0.850 465 Q CB 0.094 28.779 28.738 -0.089 0.000 0.901 465 Q HN 0.288 nan 8.270 nan 0.000 0.422 466 R N -0.571 119.797 120.500 -0.220 0.000 2.153 466 R HA 0.012 4.352 4.340 -0.000 0.000 0.218 466 R C 2.237 178.460 176.300 -0.129 0.000 1.072 466 R CA 0.740 56.625 56.100 -0.358 0.000 0.990 466 R CB -0.125 29.593 30.300 -0.969 0.000 0.889 466 R HN 0.292 nan 8.270 nan 0.000 0.452 467 A N 1.319 124.142 122.820 0.004 0.000 1.898 467 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 467 A C 2.135 179.759 177.584 0.067 0.000 1.181 467 A CA 0.985 53.097 52.037 0.126 0.000 0.620 467 A CB -0.464 18.609 19.000 0.122 0.000 0.819 467 A HN 0.161 nan 8.150 nan 0.000 0.442 468 L N -0.694 120.535 121.223 0.010 0.000 2.079 468 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 468 L C 2.541 179.382 176.870 -0.049 0.000 1.081 468 L CA 1.115 55.945 54.840 -0.017 0.000 0.752 468 L CB -0.428 41.612 42.059 -0.032 0.000 0.896 468 L HN 0.384 nan 8.230 nan 0.000 0.433 469 L N -0.806 120.381 121.223 -0.060 0.000 2.056 469 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 469 L C 2.575 179.379 176.870 -0.109 0.000 1.078 469 L CA 1.201 55.966 54.840 -0.125 0.000 0.749 469 L CB -0.452 41.566 42.059 -0.068 0.000 0.901 469 L HN 0.280 nan 8.230 nan 0.000 0.433 470 E N 0.027 120.295 120.200 0.113 0.000 2.153 470 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 470 E C 2.236 178.931 176.600 0.158 0.000 0.988 470 E CA 1.399 57.960 56.400 0.268 0.000 0.811 470 E CB 0.112 30.019 29.700 0.345 0.000 0.746 470 E HN 0.524 nan 8.360 nan 0.000 0.466 471 S N -0.747 114.993 115.700 0.067 0.000 2.428 471 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 471 S C 2.098 176.686 174.600 -0.020 0.000 1.014 471 S CA 0.762 58.983 58.200 0.034 0.000 0.957 471 S CB -0.247 62.966 63.200 0.022 0.000 0.784 471 S HN 0.324 nan 8.310 nan 0.000 0.499 472 G N 0.391 109.119 108.800 -0.120 0.000 2.422 472 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.218 472 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.218 472 G C 1.040 175.820 174.900 -0.201 0.000 1.146 472 G CA 0.763 45.732 45.100 -0.219 0.000 0.769 472 G HN 0.646 nan 8.290 nan 0.000 0.547 473 Y N 0.496 120.818 120.300 0.037 0.000 2.519 473 Y HA 0.295 4.845 4.550 -0.000 0.000 0.287 473 Y C 1.721 177.641 175.900 0.032 0.000 1.128 473 Y CA -0.289 57.833 58.100 0.036 0.000 1.282 473 Y CB -0.147 38.340 38.460 0.046 0.000 1.027 473 Y HN 0.186 nan 8.280 nan 0.000 0.551 474 E N 0.000 120.289 120.200 0.148 0.000 2.725 474 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 474 E CA 0.000 56.459 56.400 0.098 0.000 0.976 474 E CB 0.000 29.745 29.700 0.076 0.000 0.812 474 E HN 0.000 nan 8.360 nan 0.000 0.440