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 1j1n_1_B DATA FIRST_RESID 1 DATA SEQUENCE KEATWVTDKP LTLKIHMHFR DKWVWDENWP VAKESFRLTN VKLQSVANKA DATA SEQUENCE ATNSQEQFNL MMASGDLPDV VGGDNLKDKF IQYGQEGAFV PLNKLIDQYA DATA SEQUENCE PHIKAFFKSH PEVERAIKAP DGNIYFIPYV PDGVVARGYF IREDWLKKLN DATA SEQUENCE LKPPQNIDEL YTVLKAFKEK DPNGNGKADE VPFIDRHPDE VFRLVNFWGA DATA SEQUENCE RSSGSDNYMD FYIDNGRVKH PWAETAFRDG MKHVAQWYKE GLIDKEIFTR DATA SEQUENCE KAKAREQMFG GNLGGFTHDW FASTMTFNEG LAKTVPGFKL IPIAPPTNSK DATA SEQUENCE GQRWEEDSRQ KVRPDGWAIT VKNKNPVETI KFFDFYFSRP GRDISNFGVP DATA SEQUENCE GVTYDIKNGK AVFKDSVLKS PQPVNNQLYD MGAQIPIGFW QDYDYERQWT DATA SEQUENCE TPEAQAGIDM YVKGKYVMPG FEGVNMTREE RAIYDKYWAD VRTYMYEMGQ DATA SEQUENCE AWVMGTKDVD KTWDEYQRQL KLRGLYQVLQ MMQQAYDRQY KN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 175.876 176.600 -1.207 0.000 0.988 1 K CA 0.000 55.234 56.287 -1.756 0.000 0.838 1 K CB 0.000 31.827 32.500 -1.121 0.000 1.064 2 E N 1.344 120.600 120.200 -1.573 0.000 2.277 2 E HA 0.377 4.728 4.350 0.001 0.000 0.266 2 E C 0.179 176.561 176.600 -0.364 0.000 0.901 2 E CA -0.279 55.727 56.400 -0.655 0.000 0.782 2 E CB 1.853 31.347 29.700 -0.343 0.000 1.228 2 E HN 0.711 nan 8.360 nan 0.000 0.424 3 A N 1.028 123.759 122.820 -0.147 0.000 2.019 3 A HA -0.146 4.175 4.320 0.001 0.000 0.219 3 A C 1.675 179.302 177.584 0.071 0.000 1.164 3 A CA 2.131 54.150 52.037 -0.029 0.000 0.644 3 A CB -0.687 18.312 19.000 -0.001 0.000 0.805 3 A HN 0.594 nan 8.150 nan 0.000 0.449 4 T N -5.011 109.607 114.554 0.107 0.000 3.129 4 T HA 0.051 4.402 4.350 0.001 0.000 0.251 4 T C 0.147 174.989 174.700 0.237 0.000 1.117 4 T CA -0.470 61.740 62.100 0.182 0.000 1.034 4 T CB -0.371 68.617 68.868 0.198 0.000 0.968 4 T HN 0.352 nan 8.240 nan 0.000 0.526 5 W N 1.550 122.841 121.300 -0.015 0.000 2.257 5 W HA 0.282 4.943 4.660 0.001 0.000 0.337 5 W C 1.115 177.643 176.519 0.015 0.000 1.321 5 W CA -1.325 56.008 57.345 -0.021 0.000 1.267 5 W CB 0.296 29.743 29.460 -0.021 0.000 1.187 5 W HN -0.078 nan 8.180 nan 0.000 0.565 6 V N 1.811 121.808 119.914 0.137 0.000 2.992 6 V HA 0.020 4.140 4.120 0.001 0.000 0.250 6 V C 0.765 176.886 176.094 0.045 0.000 1.090 6 V CA 1.490 63.844 62.300 0.092 0.000 1.101 6 V CB -0.074 31.791 31.823 0.070 0.000 0.743 6 V HN 0.618 nan 8.190 nan 0.000 0.468 7 T N -1.937 112.611 114.554 -0.009 0.000 2.868 7 T HA 0.291 4.641 4.350 0.001 0.000 0.306 7 T C 0.160 174.848 174.700 -0.021 0.000 1.224 7 T CA -0.173 61.909 62.100 -0.029 0.000 1.012 7 T CB 2.111 70.919 68.868 -0.100 0.000 1.221 7 T HN 0.147 nan 8.240 nan 0.000 0.499 8 D N 1.330 121.763 120.400 0.055 0.000 2.137 8 D HA 0.084 4.725 4.640 0.001 0.000 0.202 8 D C 0.549 176.849 176.300 0.001 0.000 0.970 8 D CA 1.071 55.163 54.000 0.153 0.000 0.837 8 D CB 0.217 41.105 40.800 0.148 0.000 0.981 8 D HN 0.634 nan 8.370 nan 0.000 0.475 9 K N 1.225 121.591 120.400 -0.057 0.000 2.183 9 K HA 0.369 4.689 4.320 0.001 0.000 0.274 9 K C -2.517 173.990 176.600 -0.156 0.000 1.009 9 K CA -1.906 54.333 56.287 -0.080 0.000 0.888 9 K CB 1.326 33.803 32.500 -0.038 0.000 1.078 9 K HN -0.075 nan 8.250 nan 0.000 0.459 10 P HA -0.099 nan 4.420 nan 0.000 0.262 10 P C -0.913 176.338 177.300 -0.083 0.000 1.182 10 P CA -0.253 62.790 63.100 -0.095 0.000 0.761 10 P CB 0.514 32.261 31.700 0.077 0.000 0.795 11 L N 4.248 125.401 121.223 -0.116 0.000 2.296 11 L HA 0.470 4.811 4.340 0.001 0.000 0.286 11 L C -0.337 176.402 176.870 -0.219 0.000 1.023 11 L CA 0.113 54.856 54.840 -0.161 0.000 0.812 11 L CB 1.599 43.547 42.059 -0.186 0.000 1.223 11 L HN 0.232 nan 8.230 nan 0.000 0.421 12 T N 6.516 120.942 114.554 -0.212 0.000 2.758 12 T HA 0.583 4.933 4.350 0.001 0.000 0.285 12 T C -0.360 174.199 174.700 -0.236 0.000 0.981 12 T CA -0.246 61.703 62.100 -0.252 0.000 0.965 12 T CB 0.591 69.335 68.868 -0.205 0.000 0.927 12 T HN 0.435 nan 8.240 nan 0.000 0.448 13 L N 3.416 124.466 121.223 -0.287 0.000 2.322 13 L HA 0.510 4.851 4.340 0.001 0.000 0.281 13 L C 0.292 177.032 176.870 -0.217 0.000 1.014 13 L CA -1.045 53.639 54.840 -0.261 0.000 0.815 13 L CB 1.730 43.579 42.059 -0.350 0.000 1.247 13 L HN 0.384 nan 8.230 nan 0.000 0.421 14 K N 3.936 124.250 120.400 -0.143 0.000 2.276 14 K HA 0.488 4.808 4.320 0.001 0.000 0.283 14 K C -0.769 175.789 176.600 -0.070 0.000 1.044 14 K CA -0.139 56.093 56.287 -0.092 0.000 0.944 14 K CB 1.785 34.256 32.500 -0.048 0.000 1.012 14 K HN 0.453 nan 8.250 nan 0.000 0.472 15 I N 2.099 122.633 120.570 -0.059 0.000 2.545 15 I HA 0.177 4.347 4.170 0.001 0.000 0.292 15 I C -1.218 174.965 176.117 0.111 0.000 1.040 15 I CA -0.920 60.382 61.300 0.003 0.000 1.068 15 I CB 1.373 39.295 38.000 -0.130 0.000 1.251 15 I HN 0.689 nan 8.210 nan 0.000 0.424 16 H N 8.202 127.353 119.070 0.134 0.000 2.661 16 H HA 0.506 5.063 4.556 0.001 0.000 0.290 16 H C -1.185 174.314 175.328 0.284 0.000 1.082 16 H CA -0.453 55.702 56.048 0.178 0.000 1.234 16 H CB 0.912 30.755 29.762 0.135 0.000 1.387 16 H HN 0.628 nan 8.280 nan 0.000 0.476 17 M N 6.251 125.864 119.600 0.023 0.000 2.067 17 M HA 0.235 4.715 4.480 0.001 0.000 0.286 17 M C -2.126 174.328 176.300 0.257 0.000 0.922 17 M CA -0.597 54.862 55.300 0.265 0.000 0.937 17 M CB 0.648 33.503 32.600 0.424 0.000 1.550 17 M HN 0.666 nan 8.290 nan 0.000 0.433 18 H N 6.215 125.398 119.070 0.188 0.000 2.589 18 H HA 0.570 5.127 4.556 0.001 0.000 0.335 18 H C -2.105 173.434 175.328 0.351 0.000 1.019 18 H CA -0.247 55.907 56.048 0.177 0.000 1.213 18 H CB 1.006 30.813 29.762 0.075 0.000 1.472 18 H HN 0.751 nan 8.280 nan 0.000 0.508 19 F N 1.161 121.229 119.950 0.196 0.000 2.599 19 F HA 0.506 5.033 4.527 0.001 0.000 0.311 19 F C 0.519 176.495 175.800 0.293 0.000 1.076 19 F CA -1.275 56.877 58.000 0.254 0.000 0.937 19 F CB 1.162 40.276 39.000 0.190 0.000 1.282 19 F HN 0.524 nan 8.300 nan 0.000 0.460 20 R N 1.231 121.977 120.500 0.411 0.000 3.627 20 R HA -0.226 4.114 4.340 0.001 0.000 0.281 20 R C -0.590 175.781 176.300 0.119 0.000 1.140 20 R CA 1.035 57.321 56.100 0.310 0.000 0.761 20 R CB -1.935 28.664 30.300 0.499 0.000 1.181 20 R HN 0.877 nan 8.270 nan 0.000 0.472 21 D N -1.653 118.831 120.400 0.140 0.000 3.018 21 D HA -0.219 4.422 4.640 0.001 0.000 0.224 21 D C 0.800 177.068 176.300 -0.053 0.000 1.185 21 D CA 1.749 55.809 54.000 0.099 0.000 0.858 21 D CB -0.282 40.542 40.800 0.039 0.000 1.112 21 D HN 0.435 nan 8.370 nan 0.000 0.415 22 K N -1.601 118.620 120.400 -0.300 0.000 2.618 22 K HA 0.074 4.394 4.320 0.001 0.000 0.205 22 K C -0.639 175.435 176.600 -0.877 0.000 1.445 22 K CA 0.143 56.049 56.287 -0.634 0.000 1.034 22 K CB 0.956 32.880 32.500 -0.961 0.000 1.209 22 K HN 0.091 nan 8.250 nan 0.000 0.627 23 W N 1.106 121.948 121.300 -0.762 0.000 2.962 23 W HA 0.524 5.184 4.660 0.001 0.000 0.341 23 W C -0.095 175.848 176.519 -0.960 0.000 1.155 23 W CA -0.958 55.847 57.345 -0.900 0.000 1.165 23 W CB 1.474 30.157 29.460 -1.295 0.000 1.435 23 W HN -0.268 nan 8.180 nan 0.000 0.546 24 V N -1.154 118.615 119.914 -0.241 0.000 3.078 24 V HA 0.546 4.667 4.120 0.001 0.000 0.311 24 V C -0.560 175.549 176.094 0.026 0.000 1.138 24 V CA -1.307 60.948 62.300 -0.075 0.000 1.007 24 V CB 2.682 34.424 31.823 -0.135 0.000 1.045 24 V HN 0.683 nan 8.190 nan 0.000 0.432 25 W N 2.800 124.092 121.300 -0.013 0.000 2.264 25 W HA 0.340 5.000 4.660 0.001 0.000 0.331 25 W C -0.967 175.199 176.519 -0.589 0.000 1.364 25 W CA 0.678 57.900 57.345 -0.205 0.000 1.253 25 W CB 1.068 30.583 29.460 0.092 0.000 1.215 25 W HN 0.925 nan 8.180 nan 0.000 0.561 26 D N 4.896 124.276 120.400 -1.701 0.000 2.471 26 D HA 0.030 4.670 4.640 0.001 0.000 0.245 26 D C 1.141 176.942 176.300 -0.831 0.000 1.116 26 D CA -0.223 53.075 54.000 -1.171 0.000 0.853 26 D CB 1.048 40.906 40.800 -1.571 0.000 1.123 26 D HN 0.611 nan 8.370 nan 0.000 0.540 27 E N 2.328 122.383 120.200 -0.241 0.000 2.409 27 E HA -0.163 4.188 4.350 0.001 0.000 0.198 27 E C 0.115 176.722 176.600 0.012 0.000 1.024 27 E CA 0.879 57.304 56.400 0.041 0.000 0.861 27 E CB -0.170 29.627 29.700 0.161 0.000 0.788 27 E HN 0.334 nan 8.360 nan 0.000 0.521 28 N N -0.225 118.428 118.700 -0.080 0.000 2.336 28 N HA 0.006 4.747 4.740 0.001 0.000 0.189 28 N C -0.541 175.017 175.510 0.080 0.000 1.113 28 N CA -0.195 52.857 53.050 0.003 0.000 0.858 28 N CB 0.110 38.582 38.487 -0.026 0.000 0.970 28 N HN 0.153 nan 8.380 nan 0.000 0.471 29 W N 1.675 122.907 121.300 -0.114 0.000 2.231 29 W HA 0.053 4.713 4.660 0.001 0.000 0.341 29 W C -1.544 174.934 176.519 -0.067 0.000 1.298 29 W CA -1.817 55.448 57.345 -0.133 0.000 1.266 29 W CB -0.066 29.231 29.460 -0.272 0.000 1.172 29 W HN 0.053 nan 8.180 nan 0.000 0.568 30 P HA -0.199 nan 4.420 nan 0.000 0.216 30 P C 1.634 178.998 177.300 0.107 0.000 1.150 30 P CA 1.679 64.843 63.100 0.106 0.000 0.837 30 P CB 0.275 32.009 31.700 0.056 0.000 0.786 31 V N -0.201 119.740 119.914 0.045 0.000 2.453 31 V HA -0.197 3.924 4.120 0.001 0.000 0.247 31 V C 2.403 178.606 176.094 0.181 0.000 1.048 31 V CA 2.050 64.386 62.300 0.059 0.000 1.049 31 V CB -1.682 30.076 31.823 -0.109 0.000 0.672 31 V HN 0.092 nan 8.190 nan 0.000 0.457 32 A N -0.351 122.575 122.820 0.177 0.000 1.898 32 A HA -0.168 4.152 4.320 0.001 0.000 0.216 32 A C 2.301 180.122 177.584 0.395 0.000 1.181 32 A CA 1.444 53.661 52.037 0.300 0.000 0.620 32 A CB -0.369 18.680 19.000 0.081 0.000 0.819 32 A HN 0.373 nan 8.150 nan 0.000 0.442 33 K N -0.320 120.257 120.400 0.294 0.000 2.097 33 K HA -0.155 4.165 4.320 0.001 0.000 0.206 33 K C 1.912 178.687 176.600 0.291 0.000 1.049 33 K CA 1.650 58.120 56.287 0.305 0.000 0.933 33 K CB -0.254 32.374 32.500 0.214 0.000 0.717 33 K HN 0.589 nan 8.250 nan 0.000 0.442 34 E N 0.893 121.240 120.200 0.245 0.000 2.106 34 E HA -0.104 4.247 4.350 0.001 0.000 0.192 34 E C 1.984 178.739 176.600 0.259 0.000 0.984 34 E CA 1.242 57.770 56.400 0.213 0.000 0.806 34 E CB -0.186 29.628 29.700 0.191 0.000 0.750 34 E HN 0.112 nan 8.360 nan 0.000 0.458 35 S N -0.916 115.002 115.700 0.364 0.000 2.356 35 S HA -0.163 4.307 4.470 0.001 0.000 0.223 35 S C 1.807 176.626 174.600 0.366 0.000 1.032 35 S CA 1.244 59.692 58.200 0.414 0.000 1.005 35 S CB -0.617 63.017 63.200 0.724 0.000 0.867 35 S HN 0.453 nan 8.310 nan 0.000 0.449 36 F N 3.211 123.310 119.950 0.248 0.000 2.134 36 F HA 0.075 4.603 4.527 0.001 0.000 0.299 36 F C 2.441 178.289 175.800 0.080 0.000 1.097 36 F CA 1.739 59.819 58.000 0.134 0.000 1.264 36 F CB -0.861 38.219 39.000 0.134 0.000 1.001 36 F HN 0.186 nan 8.300 nan 0.000 0.479 37 R N 0.545 121.051 120.500 0.009 0.000 2.091 37 R HA -0.156 4.185 4.340 0.001 0.000 0.238 37 R C 2.140 178.513 176.300 0.121 0.000 1.136 37 R CA 1.969 58.041 56.100 -0.047 0.000 0.959 37 R CB -0.552 29.775 30.300 0.045 0.000 0.856 37 R HN 0.437 nan 8.270 nan 0.000 0.437 38 L N -0.186 121.093 121.223 0.094 0.000 2.270 38 L HA -0.003 4.338 4.340 0.001 0.000 0.210 38 L C 2.145 179.043 176.870 0.046 0.000 1.104 38 L CA 1.374 56.263 54.840 0.081 0.000 0.804 38 L CB 0.040 42.096 42.059 -0.005 0.000 0.937 38 L HN 0.365 nan 8.230 nan 0.000 0.450 39 T N -5.875 108.617 114.554 -0.102 0.000 2.971 39 T HA 0.079 4.429 4.350 0.001 0.000 0.252 39 T C 0.995 175.540 174.700 -0.258 0.000 1.022 39 T CA 0.180 62.208 62.100 -0.121 0.000 0.980 39 T CB -0.016 68.813 68.868 -0.065 0.000 1.044 39 T HN 0.345 nan 8.240 nan 0.000 0.501 40 N N -0.135 118.302 118.700 -0.438 0.000 2.850 40 N HA -0.139 4.601 4.740 0.001 0.000 0.249 40 N C -1.046 174.407 175.510 -0.095 0.000 1.060 40 N CA 0.190 52.820 53.050 -0.699 0.000 0.825 40 N CB -0.916 36.643 38.487 -1.547 0.000 1.132 40 N HN 0.339 nan 8.380 nan 0.000 0.564 41 V N 1.402 121.381 119.914 0.109 0.000 2.409 41 V HA 0.320 4.440 4.120 0.001 0.000 0.291 41 V C 0.179 176.208 176.094 -0.108 0.000 1.020 41 V CA -0.521 61.712 62.300 -0.112 0.000 0.848 41 V CB 1.664 33.210 31.823 -0.462 0.000 0.990 41 V HN 0.081 nan 8.190 nan 0.000 0.430 42 K N 5.363 125.499 120.400 -0.441 0.000 2.206 42 K HA 0.630 4.950 4.320 0.001 0.000 0.264 42 K C -1.307 175.047 176.600 -0.410 0.000 0.967 42 K CA -0.662 55.242 56.287 -0.640 0.000 0.844 42 K CB 1.314 33.122 32.500 -1.154 0.000 1.099 42 K HN 0.606 nan 8.250 nan 0.000 0.441 43 L N 4.677 125.758 121.223 -0.237 0.000 2.265 43 L HA 0.280 4.620 4.340 0.001 0.000 0.289 43 L C 0.035 176.821 176.870 -0.140 0.000 1.033 43 L CA -0.571 54.063 54.840 -0.344 0.000 0.814 43 L CB 1.484 43.058 42.059 -0.808 0.000 1.203 43 L HN 0.636 nan 8.230 nan 0.000 0.423 44 Q N 3.014 122.722 119.800 -0.153 0.000 2.349 44 Q HA 0.184 4.525 4.340 0.001 0.000 0.254 44 Q C -0.268 175.720 176.000 -0.020 0.000 0.980 44 Q CA -0.269 55.501 55.803 -0.056 0.000 0.924 44 Q CB 1.527 30.215 28.738 -0.082 0.000 1.209 44 Q HN 0.634 nan 8.270 nan 0.000 0.445 45 S N 2.757 118.500 115.700 0.072 0.000 2.549 45 S HA 0.161 4.632 4.470 0.001 0.000 0.279 45 S C 0.510 175.139 174.600 0.048 0.000 1.321 45 S CA -0.298 57.952 58.200 0.084 0.000 1.054 45 S CB 0.710 63.992 63.200 0.137 0.000 0.899 45 S HN 0.629 nan 8.310 nan 0.000 0.497 46 V N 2.410 122.360 119.914 0.060 0.000 3.253 46 V HA 0.672 4.793 4.120 0.001 0.000 0.320 46 V C 0.570 176.740 176.094 0.126 0.000 1.442 46 V CA 0.028 62.376 62.300 0.080 0.000 1.097 46 V CB -0.670 31.206 31.823 0.087 0.000 1.008 46 V HN 0.851 nan 8.190 nan 0.000 0.463 47 A N 1.126 123.981 122.820 0.057 0.000 2.257 47 A HA 0.517 4.837 4.320 0.001 0.000 0.289 47 A C 0.107 177.745 177.584 0.090 0.000 1.095 47 A CA -0.494 51.556 52.037 0.023 0.000 0.836 47 A CB 0.288 19.148 19.000 -0.232 0.000 1.111 47 A HN 0.576 nan 8.150 nan 0.000 0.497 48 N N -0.199 118.595 118.700 0.158 0.000 2.462 48 N HA 0.129 4.870 4.740 0.001 0.000 0.242 48 N C 0.985 176.587 175.510 0.153 0.000 1.010 48 N CA -0.224 52.901 53.050 0.124 0.000 0.939 48 N CB 0.570 39.119 38.487 0.102 0.000 1.127 48 N HN 0.686 nan 8.380 nan 0.000 0.509 49 K N 2.595 123.026 120.400 0.052 0.000 2.280 49 K HA -0.075 4.246 4.320 0.001 0.000 0.202 49 K C 1.258 177.866 176.600 0.012 0.000 1.047 49 K CA 1.202 57.482 56.287 -0.011 0.000 0.942 49 K CB 0.115 32.580 32.500 -0.059 0.000 0.739 49 K HN 0.378 nan 8.250 nan 0.000 0.457 50 A N 1.194 124.035 122.820 0.036 0.000 2.169 50 A HA 0.340 4.660 4.320 0.001 0.000 0.212 50 A C 1.123 178.734 177.584 0.044 0.000 1.153 50 A CA 0.271 52.319 52.037 0.019 0.000 0.756 50 A CB -0.216 18.788 19.000 0.006 0.000 0.813 50 A HN 0.456 nan 8.150 nan 0.000 0.471 51 A N 0.135 123.020 122.820 0.108 0.000 2.425 51 A HA 0.451 4.771 4.320 0.001 0.000 0.249 51 A C 1.124 178.763 177.584 0.092 0.000 1.084 51 A CA 0.626 52.694 52.037 0.052 0.000 0.781 51 A CB 0.006 18.963 19.000 -0.072 0.000 1.019 51 A HN 0.720 nan 8.150 nan 0.000 0.490 52 T N -1.389 113.164 114.554 -0.002 0.000 3.132 52 T HA 0.249 4.599 4.350 0.001 0.000 0.274 52 T C 0.008 174.704 174.700 -0.007 0.000 1.011 52 T CA 0.097 62.206 62.100 0.014 0.000 0.899 52 T CB -0.675 68.184 68.868 -0.015 0.000 1.089 52 T HN 0.655 nan 8.240 nan 0.000 0.543 53 N N 0.339 118.989 118.700 -0.082 0.000 2.648 53 N HA 0.325 5.066 4.740 0.001 0.000 0.261 53 N C 0.626 176.056 175.510 -0.133 0.000 1.138 53 N CA -0.219 52.792 53.050 -0.065 0.000 0.804 53 N CB 1.216 39.673 38.487 -0.050 0.000 1.237 53 N HN -0.024 nan 8.380 nan 0.000 0.532 54 S N 1.535 117.219 115.700 -0.026 0.000 2.370 54 S HA -0.174 4.297 4.470 0.001 0.000 0.226 54 S C 1.785 176.442 174.600 0.095 0.000 1.033 54 S CA 1.069 59.310 58.200 0.068 0.000 1.011 54 S CB -0.051 63.340 63.200 0.319 0.000 0.852 54 S HN 0.637 nan 8.310 nan 0.000 0.457 55 Q N 0.893 120.733 119.800 0.065 0.000 2.119 55 Q HA -0.080 4.261 4.340 0.001 0.000 0.201 55 Q C 2.173 178.227 176.000 0.090 0.000 0.972 55 Q CA 1.068 56.905 55.803 0.056 0.000 0.847 55 Q CB -0.445 28.293 28.738 -0.001 0.000 0.903 55 Q HN 0.720 nan 8.270 nan 0.000 0.433 56 E N 0.252 120.473 120.200 0.034 0.000 2.077 56 E HA -0.191 4.159 4.350 0.001 0.000 0.193 56 E C 1.787 178.404 176.600 0.028 0.000 0.989 56 E CA 0.752 57.165 56.400 0.022 0.000 0.800 56 E CB 0.305 29.994 29.700 -0.018 0.000 0.746 56 E HN 0.221 nan 8.360 nan 0.000 0.452 57 Q N -0.214 119.593 119.800 0.012 0.000 2.124 57 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 57 Q C 1.986 178.021 176.000 0.058 0.000 0.977 57 Q CA 1.064 56.893 55.803 0.043 0.000 0.850 57 Q CB -0.477 28.273 28.738 0.021 0.000 0.901 57 Q HN 0.374 nan 8.270 nan 0.000 0.429 58 F N 2.562 122.510 119.950 -0.003 0.000 2.102 58 F HA -0.188 4.340 4.527 0.001 0.000 0.298 58 F C 1.707 177.404 175.800 -0.172 0.000 1.105 58 F CA 1.329 59.269 58.000 -0.100 0.000 1.239 58 F CB -0.260 38.724 39.000 -0.027 0.000 0.991 58 F HN 0.067 nan 8.300 nan 0.000 0.474 59 N N 1.094 119.906 118.700 0.188 0.000 2.069 59 N HA -0.205 4.535 4.740 0.001 0.000 0.191 59 N C 2.062 177.525 175.510 -0.079 0.000 1.031 59 N CA 1.950 55.053 53.050 0.089 0.000 0.852 59 N CB -0.840 37.731 38.487 0.139 0.000 1.018 59 N HN 0.375 nan 8.380 nan 0.000 0.423 60 L N 0.431 121.605 121.223 -0.083 0.000 2.056 60 L HA -0.066 4.275 4.340 0.001 0.000 0.207 60 L C 2.524 179.285 176.870 -0.181 0.000 1.078 60 L CA 0.868 55.648 54.840 -0.099 0.000 0.749 60 L CB -0.369 41.653 42.059 -0.063 0.000 0.901 60 L HN 0.213 nan 8.230 nan 0.000 0.433 61 M N -0.428 118.986 119.600 -0.311 0.000 2.117 61 M HA -0.205 4.276 4.480 0.001 0.000 0.262 61 M C 2.219 178.279 176.300 -0.400 0.000 1.065 61 M CA 1.908 56.963 55.300 -0.408 0.000 1.114 61 M CB -0.263 31.862 32.600 -0.791 0.000 1.361 61 M HN 0.223 nan 8.290 nan 0.000 0.408 62 M N -0.082 119.198 119.600 -0.533 0.000 2.460 62 M HA -0.025 4.455 4.480 0.001 0.000 0.263 62 M C 1.738 177.899 176.300 -0.233 0.000 1.071 62 M CA 1.194 56.195 55.300 -0.499 0.000 1.096 62 M CB -1.491 30.620 32.600 -0.816 0.000 1.408 62 M HN 0.435 nan 8.290 nan 0.000 0.463 63 A N -0.526 122.195 122.820 -0.166 0.000 2.465 63 A HA 0.172 4.493 4.320 0.001 0.000 0.255 63 A C 1.912 179.447 177.584 -0.082 0.000 1.274 63 A CA 0.573 52.561 52.037 -0.081 0.000 0.920 63 A CB -0.387 18.589 19.000 -0.041 0.000 1.033 63 A HN 0.478 nan 8.150 nan 0.000 0.516 64 S N -1.420 114.213 115.700 -0.111 0.000 2.461 64 S HA 0.287 4.758 4.470 0.001 0.000 0.228 64 S C 1.634 176.193 174.600 -0.069 0.000 1.005 64 S CA 1.219 59.368 58.200 -0.086 0.000 0.942 64 S CB -0.344 62.798 63.200 -0.097 0.000 0.776 64 S HN 1.809 nan 8.310 nan 0.000 0.514 65 G N 0.835 109.590 108.800 -0.075 0.000 2.179 65 G HA2 -0.256 3.704 3.960 0.001 0.000 0.260 65 G HA3 -0.256 3.704 3.960 0.001 0.000 0.260 65 G C -0.124 174.741 174.900 -0.059 0.000 0.977 65 G CA 0.322 45.386 45.100 -0.060 0.000 0.641 65 G HN 0.728 nan 8.290 nan 0.000 0.533 66 D N 0.352 120.711 120.400 -0.068 0.000 2.468 66 D HA 0.442 5.083 4.640 0.001 0.000 0.272 66 D C 0.719 176.978 176.300 -0.068 0.000 1.221 66 D CA -0.591 53.374 54.000 -0.057 0.000 0.860 66 D CB -0.185 40.589 40.800 -0.043 0.000 1.190 66 D HN 0.306 nan 8.370 nan 0.000 0.509 67 L N 2.702 123.877 121.223 -0.080 0.000 2.439 67 L HA 0.377 4.718 4.340 0.001 0.000 0.269 67 L C -1.316 175.529 176.870 -0.042 0.000 1.179 67 L CA -1.194 53.594 54.840 -0.087 0.000 0.828 67 L CB 0.332 42.324 42.059 -0.112 0.000 1.106 67 L HN 0.281 nan 8.230 nan 0.000 0.467 68 P HA 0.123 nan 4.420 nan 0.000 0.307 68 P C -0.444 176.866 177.300 0.017 0.000 1.306 68 P CA -0.333 62.776 63.100 0.016 0.000 0.742 68 P CB 1.040 32.783 31.700 0.073 0.000 1.349 69 D N -1.582 118.818 120.400 0.001 0.000 2.277 69 D HA 0.102 4.743 4.640 0.001 0.000 0.209 69 D C 0.285 176.600 176.300 0.026 0.000 0.970 69 D CA 0.983 54.971 54.000 -0.020 0.000 0.874 69 D CB 0.366 41.111 40.800 -0.091 0.000 0.982 69 D HN 0.027 nan 8.370 nan 0.000 0.504 70 V N 0.910 120.860 119.914 0.060 0.000 2.841 70 V HA 0.395 4.515 4.120 0.001 0.000 0.310 70 V C -0.428 175.826 176.094 0.267 0.000 1.090 70 V CA -0.834 61.552 62.300 0.144 0.000 0.930 70 V CB 3.114 34.959 31.823 0.036 0.000 1.014 70 V HN -0.275 nan 8.190 nan 0.000 0.425 71 V N 2.342 122.493 119.914 0.396 0.000 2.588 71 V HA 0.951 5.072 4.120 0.001 0.000 0.304 71 V C 0.351 176.807 176.094 0.603 0.000 1.042 71 V CA -0.032 62.584 62.300 0.527 0.000 0.877 71 V CB 1.735 33.973 31.823 0.691 0.000 0.996 71 V HN 1.076 nan 8.190 nan 0.000 0.425 72 G N 1.713 110.871 108.800 0.597 0.000 2.694 72 G HA2 0.922 4.882 3.960 0.001 0.000 0.290 72 G HA3 0.922 4.882 3.960 0.001 0.000 0.290 72 G C -0.455 174.714 174.900 0.450 0.000 1.386 72 G CA -0.249 45.199 45.100 0.579 0.000 0.872 72 G HN 1.363 nan 8.290 nan 0.000 0.475 73 G N -0.347 108.641 108.800 0.313 0.000 2.356 73 G HA2 0.465 4.425 3.960 0.001 0.000 0.300 73 G HA3 0.465 4.425 3.960 0.001 0.000 0.300 73 G C -1.552 173.437 174.900 0.149 0.000 1.331 73 G CA -0.171 45.074 45.100 0.242 0.000 0.905 73 G HN 0.998 nan 8.290 nan 0.000 0.587 74 D N -0.191 120.314 120.400 0.175 0.000 2.283 74 D HA 0.301 4.941 4.640 0.001 0.000 0.248 74 D C 0.302 176.643 176.300 0.068 0.000 1.072 74 D CA -0.333 53.757 54.000 0.151 0.000 0.929 74 D CB 0.907 41.839 40.800 0.220 0.000 1.182 74 D HN 0.532 nan 8.370 nan 0.000 0.433 75 N N 0.626 119.360 118.700 0.056 0.000 2.727 75 N HA -0.171 4.569 4.740 0.001 0.000 0.249 75 N C 0.224 175.625 175.510 -0.182 0.000 1.048 75 N CA 0.327 53.374 53.050 -0.004 0.000 0.714 75 N CB -1.078 37.441 38.487 0.054 0.000 0.959 75 N HN 0.583 nan 8.380 nan 0.000 0.544 76 L N -0.633 120.376 121.223 -0.357 0.000 2.766 76 L HA 0.113 4.454 4.340 0.001 0.000 0.242 76 L C 2.133 178.481 176.870 -0.870 0.000 1.136 76 L CA -0.165 54.185 54.840 -0.818 0.000 0.933 76 L CB 0.101 41.362 42.059 -1.330 0.000 1.241 76 L HN 0.139 nan 8.230 nan 0.000 0.522 77 K N 1.081 121.196 120.400 -0.474 0.000 2.034 77 K HA -0.267 4.053 4.320 0.001 0.000 0.214 77 K C 1.283 177.814 176.600 -0.115 0.000 1.051 77 K CA 2.352 58.423 56.287 -0.360 0.000 0.931 77 K CB 0.065 32.561 32.500 -0.006 0.000 0.715 77 K HN 0.192 nan 8.250 nan 0.000 0.446 78 D N 0.354 120.744 120.400 -0.016 0.000 2.144 78 D HA -0.119 4.521 4.640 0.001 0.000 0.199 78 D C 1.813 178.171 176.300 0.096 0.000 0.984 78 D CA 1.234 55.303 54.000 0.116 0.000 0.834 78 D CB 0.024 40.963 40.800 0.233 0.000 0.955 78 D HN 0.341 nan 8.370 nan 0.000 0.465 79 K N -0.514 119.848 120.400 -0.063 0.000 2.103 79 K HA -0.005 4.316 4.320 0.001 0.000 0.204 79 K C 2.199 178.992 176.600 0.321 0.000 1.052 79 K CA 0.436 56.768 56.287 0.075 0.000 0.945 79 K CB -0.134 32.129 32.500 -0.394 0.000 0.722 79 K HN 0.189 nan 8.250 nan 0.000 0.443 80 F N 1.153 121.139 119.950 0.059 0.000 2.134 80 F HA -0.189 4.339 4.527 0.001 0.000 0.299 80 F C 2.216 178.146 175.800 0.217 0.000 1.097 80 F CA 0.616 58.649 58.000 0.055 0.000 1.264 80 F CB -0.152 38.671 39.000 -0.296 0.000 1.001 80 F HN -0.059 nan 8.300 nan 0.000 0.479 81 I N -0.093 120.710 120.570 0.389 0.000 2.202 81 I HA -0.312 3.859 4.170 0.001 0.000 0.242 81 I C 2.524 178.744 176.117 0.173 0.000 1.091 81 I CA 1.469 62.965 61.300 0.327 0.000 1.368 81 I CB -0.510 37.670 38.000 0.300 0.000 1.058 81 I HN 0.205 nan 8.210 nan 0.000 0.410 82 Q N 0.493 120.405 119.800 0.187 0.000 2.016 82 Q HA -0.232 4.109 4.340 0.001 0.000 0.200 82 Q C 2.242 178.254 176.000 0.020 0.000 0.978 82 Q CA 1.874 57.723 55.803 0.077 0.000 0.833 82 Q CB -0.259 28.499 28.738 0.034 0.000 0.895 82 Q HN 0.458 nan 8.270 nan 0.000 0.427 83 Y N -0.154 120.241 120.300 0.157 0.000 2.352 83 Y HA -0.011 4.540 4.550 0.001 0.000 0.292 83 Y C 2.244 178.146 175.900 0.002 0.000 1.136 83 Y CA 1.101 59.274 58.100 0.121 0.000 1.227 83 Y CB -0.387 38.241 38.460 0.280 0.000 0.991 83 Y HN 0.333 nan 8.280 nan 0.000 0.545 84 G N -0.626 108.216 108.800 0.069 0.000 2.404 84 G HA2 -0.225 3.736 3.960 0.001 0.000 0.215 84 G HA3 -0.225 3.736 3.960 0.001 0.000 0.215 84 G C 1.450 175.957 174.900 -0.655 0.000 1.174 84 G CA 0.611 45.318 45.100 -0.654 0.000 0.780 84 G HN 0.351 nan 8.290 nan 0.000 0.537 85 Q N 0.001 119.562 119.800 -0.399 0.000 2.224 85 Q HA -0.060 4.280 4.340 0.001 0.000 0.203 85 Q C 2.223 178.206 176.000 -0.028 0.000 0.970 85 Q CA 1.003 56.767 55.803 -0.064 0.000 0.865 85 Q CB -0.020 28.741 28.738 0.037 0.000 0.922 85 Q HN 0.589 nan 8.270 nan 0.000 0.445 86 E N -0.852 119.311 120.200 -0.061 0.000 2.482 86 E HA 0.005 4.355 4.350 0.001 0.000 0.196 86 E C 0.659 177.242 176.600 -0.027 0.000 1.047 86 E CA 0.351 56.721 56.400 -0.052 0.000 0.869 86 E CB 0.361 29.995 29.700 -0.109 0.000 0.836 86 E HN 0.487 nan 8.360 nan 0.000 0.520 87 G N 0.430 109.218 108.800 -0.020 0.000 2.131 87 G HA2 -0.261 3.700 3.960 0.001 0.000 0.201 87 G HA3 -0.261 3.700 3.960 0.001 0.000 0.201 87 G C 0.708 175.586 174.900 -0.036 0.000 1.000 87 G CA 0.166 45.267 45.100 0.001 0.000 0.680 87 G HN 0.372 nan 8.290 nan 0.000 0.514 88 A N -1.056 121.699 122.820 -0.107 0.000 2.063 88 A HA 0.756 5.076 4.320 0.001 0.000 0.211 88 A C 0.480 177.805 177.584 -0.431 0.000 1.177 88 A CA 0.746 52.595 52.037 -0.313 0.000 0.759 88 A CB 0.211 18.933 19.000 -0.463 0.000 0.857 88 A HN 0.600 nan 8.150 nan 0.000 0.468 89 F N -0.527 119.498 119.950 0.125 0.000 2.546 89 F HA 0.509 5.036 4.527 0.001 0.000 0.320 89 F C 0.168 176.126 175.800 0.263 0.000 1.076 89 F CA -1.592 56.521 58.000 0.188 0.000 0.928 89 F CB 1.791 40.939 39.000 0.247 0.000 1.189 89 F HN 0.019 nan 8.300 nan 0.000 0.465 90 V N 0.781 120.968 119.914 0.455 0.000 2.644 90 V HA 0.642 4.763 4.120 0.001 0.000 0.295 90 V C -2.487 173.836 176.094 0.382 0.000 1.053 90 V CA -2.252 60.264 62.300 0.359 0.000 0.987 90 V CB 0.907 32.851 31.823 0.201 0.000 1.006 90 V HN 0.571 nan 8.190 nan 0.000 0.472 91 P HA 0.264 nan 4.420 nan 0.000 0.271 91 P C 0.109 177.414 177.300 0.008 0.000 1.218 91 P CA -0.143 62.923 63.100 -0.057 0.000 0.780 91 P CB 1.254 32.888 31.700 -0.109 0.000 0.901 92 L N 1.258 122.462 121.223 -0.032 0.000 2.693 92 L HA 0.124 4.465 4.340 0.001 0.000 0.235 92 L C 2.142 179.027 176.870 0.025 0.000 1.127 92 L CA -0.033 54.828 54.840 0.036 0.000 0.914 92 L CB -0.593 41.516 42.059 0.083 0.000 1.193 92 L HN 0.343 nan 8.230 nan 0.000 0.502 93 N N 1.487 120.170 118.700 -0.029 0.000 2.021 93 N HA -0.300 4.441 4.740 0.001 0.000 0.198 93 N C 1.718 177.234 175.510 0.010 0.000 1.041 93 N CA 1.874 54.910 53.050 -0.024 0.000 0.862 93 N CB -0.057 38.393 38.487 -0.061 0.000 1.048 93 N HN 0.343 nan 8.380 nan 0.000 0.427 94 K N 1.293 121.701 120.400 0.013 0.000 2.103 94 K HA 0.001 4.321 4.320 0.001 0.000 0.204 94 K C 2.254 178.887 176.600 0.054 0.000 1.052 94 K CA 0.446 56.746 56.287 0.021 0.000 0.945 94 K CB -0.025 32.488 32.500 0.022 0.000 0.722 94 K HN 0.090 nan 8.250 nan 0.000 0.443 95 L N 0.887 122.168 121.223 0.097 0.000 2.079 95 L HA -0.207 4.133 4.340 0.001 0.000 0.210 95 L C 2.307 179.279 176.870 0.170 0.000 1.081 95 L CA 1.169 56.117 54.840 0.180 0.000 0.752 95 L CB -0.302 41.839 42.059 0.135 0.000 0.896 95 L HN 0.238 nan 8.230 nan 0.000 0.433 96 I N -0.375 120.262 120.570 0.112 0.000 2.202 96 I HA -0.299 3.872 4.170 0.001 0.000 0.242 96 I C 2.007 178.161 176.117 0.063 0.000 1.091 96 I CA 1.468 62.829 61.300 0.102 0.000 1.368 96 I CB -0.289 37.781 38.000 0.117 0.000 1.058 96 I HN 0.200 nan 8.210 nan 0.000 0.410 97 D N 0.037 120.457 120.400 0.033 0.000 2.149 97 D HA -0.254 4.386 4.640 0.001 0.000 0.198 97 D C 2.167 178.426 176.300 -0.069 0.000 0.990 97 D CA 1.184 55.178 54.000 -0.009 0.000 0.839 97 D CB 0.096 40.885 40.800 -0.018 0.000 0.948 97 D HN 0.313 nan 8.370 nan 0.000 0.460 98 Q N -1.674 118.047 119.800 -0.131 0.000 2.297 98 Q HA -0.016 4.325 4.340 0.001 0.000 0.203 98 Q C 0.688 176.404 176.000 -0.473 0.000 0.931 98 Q CA 0.606 56.184 55.803 -0.375 0.000 0.885 98 Q CB 0.342 28.711 28.738 -0.616 0.000 0.991 98 Q HN 0.420 nan 8.270 nan 0.000 0.498 99 Y N -1.705 118.615 120.300 0.034 0.000 2.527 99 Y HA 0.488 5.038 4.550 0.001 0.000 0.247 99 Y C 0.061 176.004 175.900 0.071 0.000 1.138 99 Y CA -0.212 57.916 58.100 0.047 0.000 1.228 99 Y CB 1.469 39.953 38.460 0.040 0.000 1.252 99 Y HN 0.040 nan 8.280 nan 0.000 0.531 100 A N 1.672 124.602 122.820 0.184 0.000 2.938 100 A HA 0.367 4.688 4.320 0.001 0.000 0.344 100 A C -1.927 175.718 177.584 0.101 0.000 1.142 100 A CA -1.316 50.822 52.037 0.167 0.000 0.841 100 A CB 0.196 19.282 19.000 0.142 0.000 1.083 100 A HN -0.020 nan 8.150 nan 0.000 0.479 101 P HA -0.209 nan 4.420 nan 0.000 0.218 101 P C 0.805 178.062 177.300 -0.073 0.000 1.148 101 P CA 1.590 64.665 63.100 -0.040 0.000 0.822 101 P CB 0.098 31.729 31.700 -0.115 0.000 0.784 102 H N -0.541 118.597 119.070 0.113 0.000 2.363 102 H HA 0.072 4.628 4.556 0.001 0.000 0.301 102 H C 2.272 177.651 175.328 0.084 0.000 1.074 102 H CA 1.020 57.166 56.048 0.164 0.000 1.354 102 H CB -0.735 29.171 29.762 0.240 0.000 1.397 102 H HN 0.077 nan 8.280 nan 0.000 0.516 103 I N 0.485 121.061 120.570 0.011 0.000 2.353 103 I HA -0.215 3.956 4.170 0.001 0.000 0.248 103 I C 2.425 178.361 176.117 -0.301 0.000 1.119 103 I CA 1.070 62.101 61.300 -0.448 0.000 1.417 103 I CB -0.162 37.488 38.000 -0.584 0.000 1.078 103 I HN 0.187 nan 8.210 nan 0.000 0.421 104 K N 1.473 121.830 120.400 -0.072 0.000 2.032 104 K HA -0.207 4.114 4.320 0.001 0.000 0.209 104 K C 2.204 178.829 176.600 0.043 0.000 1.048 104 K CA 1.654 57.956 56.287 0.025 0.000 0.927 104 K CB -0.111 32.406 32.500 0.028 0.000 0.712 104 K HN 0.283 nan 8.250 nan 0.000 0.441 105 A N 0.630 123.477 122.820 0.044 0.000 1.933 105 A HA -0.152 4.168 4.320 0.001 0.000 0.218 105 A C 1.985 179.620 177.584 0.085 0.000 1.175 105 A CA 1.292 53.372 52.037 0.072 0.000 0.628 105 A CB -0.775 18.284 19.000 0.099 0.000 0.814 105 A HN 0.534 nan 8.150 nan 0.000 0.444 106 F N -0.241 119.662 119.950 -0.078 0.000 2.102 106 F HA -0.159 4.369 4.527 0.001 0.000 0.298 106 F C 1.986 177.770 175.800 -0.026 0.000 1.105 106 F CA 1.735 59.620 58.000 -0.192 0.000 1.239 106 F CB -0.443 38.227 39.000 -0.550 0.000 0.991 106 F HN 0.254 nan 8.300 nan 0.000 0.474 107 F N 0.288 120.192 119.950 -0.076 0.000 2.216 107 F HA -0.203 4.325 4.527 0.001 0.000 0.300 107 F C 2.369 178.068 175.800 -0.168 0.000 1.085 107 F CA 0.818 58.730 58.000 -0.148 0.000 1.326 107 F CB -0.342 38.629 39.000 -0.048 0.000 1.027 107 F HN -0.018 nan 8.300 nan 0.000 0.497 108 K N 1.220 121.661 120.400 0.068 0.000 2.097 108 K HA -0.159 4.161 4.320 0.001 0.000 0.206 108 K C 1.912 178.466 176.600 -0.076 0.000 1.049 108 K CA 1.926 58.212 56.287 -0.003 0.000 0.933 108 K CB -0.537 31.966 32.500 0.005 0.000 0.717 108 K HN 0.176 nan 8.250 nan 0.000 0.442 109 S N -1.079 114.547 115.700 -0.124 0.000 2.528 109 S HA 0.023 4.494 4.470 0.001 0.000 0.219 109 S C 0.339 174.616 174.600 -0.537 0.000 0.985 109 S CA -0.114 57.934 58.200 -0.253 0.000 0.914 109 S CB -0.291 62.797 63.200 -0.188 0.000 0.776 109 S HN 0.344 nan 8.310 nan 0.000 0.526 110 H N 1.591 120.422 119.070 -0.399 0.000 2.535 110 H HA 0.271 4.827 4.556 0.001 0.000 0.232 110 H C -2.102 173.093 175.328 -0.221 0.000 1.405 110 H CA -1.454 54.353 56.048 -0.402 0.000 1.224 110 H CB 0.965 30.211 29.762 -0.860 0.000 1.763 110 H HN 0.334 nan 8.280 nan 0.000 0.529 111 P HA -0.217 nan 4.420 nan 0.000 0.218 111 P C 1.438 178.679 177.300 -0.099 0.000 1.148 111 P CA 1.268 64.310 63.100 -0.097 0.000 0.822 111 P CB 0.445 32.084 31.700 -0.101 0.000 0.784 112 E N 0.251 120.408 120.200 -0.071 0.000 2.150 112 E HA -0.079 4.272 4.350 0.001 0.000 0.193 112 E C 2.070 178.645 176.600 -0.041 0.000 0.985 112 E CA 0.945 57.311 56.400 -0.056 0.000 0.814 112 E CB -1.538 28.144 29.700 -0.030 0.000 0.752 112 E HN 0.134 nan 8.360 nan 0.000 0.466 113 V N 2.033 121.949 119.914 0.004 0.000 2.323 113 V HA -0.229 3.891 4.120 0.001 0.000 0.244 113 V C 2.612 178.659 176.094 -0.078 0.000 1.041 113 V CA 2.084 64.416 62.300 0.053 0.000 1.025 113 V CB -0.602 31.360 31.823 0.231 0.000 0.656 113 V HN 0.325 nan 8.190 nan 0.000 0.451 114 E N 0.476 120.535 120.200 -0.235 0.000 2.085 114 E HA -0.296 4.055 4.350 0.001 0.000 0.194 114 E C 2.421 178.790 176.600 -0.384 0.000 0.994 114 E CA 1.613 57.621 56.400 -0.654 0.000 0.801 114 E CB -0.129 29.097 29.700 -0.790 0.000 0.743 114 E HN 0.481 nan 8.360 nan 0.000 0.453 115 R N -0.048 120.313 120.500 -0.233 0.000 2.096 115 R HA -0.100 4.241 4.340 0.001 0.000 0.235 115 R C 2.196 178.422 176.300 -0.124 0.000 1.127 115 R CA 1.251 57.250 56.100 -0.167 0.000 0.968 115 R CB -0.267 29.953 30.300 -0.134 0.000 0.861 115 R HN 0.210 nan 8.270 nan 0.000 0.440 116 A N 1.310 124.071 122.820 -0.100 0.000 2.015 116 A HA -0.086 4.234 4.320 0.001 0.000 0.219 116 A C 2.031 179.611 177.584 -0.006 0.000 1.163 116 A CA 1.381 53.387 52.037 -0.052 0.000 0.646 116 A CB -0.518 18.464 19.000 -0.030 0.000 0.806 116 A HN 0.607 nan 8.150 nan 0.000 0.448 117 I N -4.099 116.439 120.570 -0.054 0.000 3.783 117 I HA 0.205 4.376 4.170 0.001 0.000 0.310 117 I C 0.319 176.459 176.117 0.038 0.000 1.274 117 I CA -0.174 61.129 61.300 0.005 0.000 1.294 117 I CB 0.010 37.831 38.000 -0.298 0.000 1.051 117 I HN -0.084 nan 8.210 nan 0.000 0.435 118 K N 2.598 122.967 120.400 -0.051 0.000 2.295 118 K HA 0.523 4.843 4.320 0.001 0.000 0.270 118 K C 0.247 176.890 176.600 0.072 0.000 1.011 118 K CA -0.120 56.148 56.287 -0.031 0.000 0.953 118 K CB 1.143 33.580 32.500 -0.105 0.000 0.956 118 K HN 0.333 nan 8.250 nan 0.000 0.477 119 A N 3.397 126.294 122.820 0.128 0.000 2.257 119 A HA 0.298 4.618 4.320 0.001 0.000 0.289 119 A C -1.804 175.844 177.584 0.107 0.000 1.095 119 A CA -1.405 50.750 52.037 0.197 0.000 0.836 119 A CB 0.018 19.264 19.000 0.410 0.000 1.111 119 A HN 0.489 nan 8.150 nan 0.000 0.497 120 P HA -0.155 nan 4.420 nan 0.000 0.218 120 P C 0.341 177.675 177.300 0.057 0.000 1.148 120 P CA 1.712 64.846 63.100 0.056 0.000 0.822 120 P CB -0.008 31.725 31.700 0.055 0.000 0.784 121 D N -1.988 118.471 120.400 0.098 0.000 2.352 121 D HA 0.062 4.703 4.640 0.001 0.000 0.232 121 D C 1.421 177.742 176.300 0.036 0.000 1.055 121 D CA 0.672 54.721 54.000 0.082 0.000 0.891 121 D CB -1.064 39.818 40.800 0.137 0.000 0.897 121 D HN 0.219 nan 8.370 nan 0.000 0.529 122 G N -0.348 108.458 108.800 0.011 0.000 2.176 122 G HA2 -0.286 3.674 3.960 0.001 0.000 0.253 122 G HA3 -0.286 3.674 3.960 0.001 0.000 0.253 122 G C 0.050 174.891 174.900 -0.099 0.000 0.979 122 G CA -0.021 45.054 45.100 -0.042 0.000 0.641 122 G HN 0.430 nan 8.290 nan 0.000 0.530 123 N N 0.150 118.766 118.700 -0.141 0.000 2.509 123 N HA 0.559 5.299 4.740 0.001 0.000 0.287 123 N C 0.195 175.444 175.510 -0.435 0.000 1.121 123 N CA -0.266 52.570 53.050 -0.357 0.000 0.977 123 N CB 1.078 39.189 38.487 -0.628 0.000 1.167 123 N HN 0.262 nan 8.380 nan 0.000 0.476 124 I N 2.237 122.568 120.570 -0.399 0.000 2.304 124 I HA 0.119 4.290 4.170 0.001 0.000 0.291 124 I C 0.214 176.175 176.117 -0.259 0.000 1.018 124 I CA -0.283 60.858 61.300 -0.265 0.000 1.260 124 I CB 0.443 38.321 38.000 -0.204 0.000 1.390 124 I HN 0.548 nan 8.210 nan 0.000 0.475 125 Y N 6.378 126.775 120.300 0.162 0.000 2.458 125 Y HA 0.216 4.767 4.550 0.001 0.000 0.256 125 Y C 0.025 176.009 175.900 0.140 0.000 1.159 125 Y CA -0.476 57.752 58.100 0.213 0.000 1.261 125 Y CB 0.441 39.090 38.460 0.315 0.000 1.119 125 Y HN 0.544 nan 8.280 nan 0.000 0.524 126 F N -2.262 117.673 119.950 -0.025 0.000 2.693 126 F HA 0.615 5.143 4.527 0.001 0.000 0.309 126 F C -1.786 174.026 175.800 0.019 0.000 1.129 126 F CA -2.341 55.538 58.000 -0.202 0.000 0.948 126 F CB 0.684 39.267 39.000 -0.696 0.000 1.315 126 F HN -0.406 nan 8.300 nan 0.000 0.447 127 I N 4.069 124.659 120.570 0.033 0.000 2.331 127 I HA 0.410 4.580 4.170 0.001 0.000 0.292 127 I C -2.356 173.795 176.117 0.057 0.000 0.998 127 I CA -2.624 58.666 61.300 -0.015 0.000 1.267 127 I CB 1.109 39.154 38.000 0.075 0.000 1.386 127 I HN 0.450 nan 8.210 nan 0.000 0.476 128 P HA 0.129 nan 4.420 nan 0.000 0.281 128 P C -1.070 176.340 177.300 0.184 0.000 1.264 128 P CA -0.485 62.725 63.100 0.184 0.000 0.824 128 P CB 1.092 32.849 31.700 0.094 0.000 1.092 129 Y N 1.985 122.306 120.300 0.035 0.000 2.486 129 Y HA 0.292 4.842 4.550 0.001 0.000 0.348 129 Y C -1.051 174.743 175.900 -0.176 0.000 1.000 129 Y CA -1.318 56.700 58.100 -0.137 0.000 1.253 129 Y CB -0.240 38.209 38.460 -0.019 0.000 1.140 129 Y HN -0.022 nan 8.280 nan 0.000 0.526 130 V N 10.630 130.428 119.914 -0.193 0.000 2.318 130 V HA 0.320 4.440 4.120 0.001 0.000 0.271 130 V C -2.108 173.836 176.094 -0.250 0.000 1.030 130 V CA -1.890 60.250 62.300 -0.267 0.000 0.844 130 V CB 0.934 32.523 31.823 -0.390 0.000 1.015 130 V HN 0.694 nan 8.190 nan 0.000 0.460 131 P HA 0.285 nan 4.420 nan 0.000 0.274 131 P C -0.956 176.395 177.300 0.086 0.000 1.246 131 P CA -0.309 62.727 63.100 -0.106 0.000 0.795 131 P CB 0.683 32.296 31.700 -0.146 0.000 1.006 132 D N 0.038 120.550 120.400 0.186 0.000 2.620 132 D HA 0.626 5.267 4.640 0.001 0.000 0.252 132 D C -0.365 176.083 176.300 0.247 0.000 1.207 132 D CA -0.028 54.108 54.000 0.228 0.000 0.884 132 D CB 0.836 41.788 40.800 0.253 0.000 1.262 132 D HN 0.542 nan 8.370 nan 0.000 0.552 133 G N 0.640 109.488 108.800 0.081 0.000 2.341 133 G HA2 0.234 4.195 3.960 0.001 0.000 0.293 133 G HA3 0.234 4.195 3.960 0.001 0.000 0.293 133 G C -0.553 174.293 174.900 -0.090 0.000 1.298 133 G CA 0.017 45.060 45.100 -0.095 0.000 0.868 133 G HN 0.316 nan 8.290 nan 0.000 0.540 134 V N -0.545 119.287 119.914 -0.136 0.000 3.054 134 V HA 0.374 4.494 4.120 0.001 0.000 0.227 134 V C 1.339 177.405 176.094 -0.046 0.000 1.252 134 V CA 1.302 63.549 62.300 -0.087 0.000 1.279 134 V CB 0.434 32.178 31.823 -0.132 0.000 1.118 134 V HN 1.406 nan 8.190 nan 0.000 0.504 135 V N -1.620 118.254 119.914 -0.066 0.000 3.109 135 V HA 0.966 5.087 4.120 0.001 0.000 0.317 135 V C 0.315 176.380 176.094 -0.048 0.000 1.074 135 V CA 0.371 62.643 62.300 -0.046 0.000 1.033 135 V CB 1.280 33.040 31.823 -0.105 0.000 1.111 135 V HN 0.309 nan 8.190 nan 0.000 0.458 136 A N 2.322 125.034 122.820 -0.179 0.000 2.185 136 A HA 0.576 4.897 4.320 0.001 0.000 0.208 136 A C 1.003 178.203 177.584 -0.638 0.000 2.237 136 A CA -0.550 51.067 52.037 -0.701 0.000 1.587 136 A CB 0.078 18.483 19.000 -0.992 0.000 1.091 136 A HN 0.802 nan 8.150 nan 0.000 0.449 137 R N -0.679 119.368 120.500 -0.754 0.000 2.543 137 R HA 0.544 4.885 4.340 0.001 0.000 0.268 137 R C -0.041 175.975 176.300 -0.474 0.000 1.067 137 R CA 0.396 56.075 56.100 -0.701 0.000 1.142 137 R CB 1.061 30.766 30.300 -0.992 0.000 1.110 137 R HN 0.696 nan 8.270 nan 0.000 0.549 138 G N 0.093 108.451 108.800 -0.736 0.000 2.682 138 G HA2 0.401 4.361 3.960 0.001 0.000 0.290 138 G HA3 0.401 4.361 3.960 0.001 0.000 0.290 138 G C -1.822 172.744 174.900 -0.557 0.000 1.425 138 G CA -0.637 44.036 45.100 -0.711 0.000 0.807 138 G HN 0.364 nan 8.290 nan 0.000 0.482 139 Y N -0.416 119.830 120.300 -0.089 0.000 2.313 139 Y HA 0.636 5.186 4.550 0.001 0.000 0.332 139 Y C -0.344 175.286 175.900 -0.450 0.000 1.071 139 Y CA -0.022 58.091 58.100 0.021 0.000 1.169 139 Y CB 1.415 40.089 38.460 0.357 0.000 1.192 139 Y HN 0.275 nan 8.280 nan 0.000 0.487 140 F N 3.955 124.028 119.950 0.205 0.000 2.540 140 F HA 0.613 5.140 4.527 0.001 0.000 0.317 140 F C -0.408 175.582 175.800 0.316 0.000 1.104 140 F CA -0.926 57.175 58.000 0.168 0.000 0.913 140 F CB 1.670 40.677 39.000 0.012 0.000 1.170 140 F HN 0.298 nan 8.300 nan 0.000 0.450 141 I N 2.368 123.187 120.570 0.415 0.000 2.828 141 I HA 0.487 4.657 4.170 0.001 0.000 0.302 141 I C -0.713 175.470 176.117 0.110 0.000 1.101 141 I CA -1.083 60.464 61.300 0.412 0.000 1.031 141 I CB 1.547 39.819 38.000 0.453 0.000 1.231 141 I HN 0.403 nan 8.210 nan 0.000 0.427 142 R N 4.649 125.129 120.500 -0.033 0.000 2.357 142 R HA 0.046 4.387 4.340 0.001 0.000 0.330 142 R C 0.693 176.918 176.300 -0.126 0.000 1.102 142 R CA 0.179 56.046 56.100 -0.387 0.000 0.974 142 R CB 0.281 30.027 30.300 -0.924 0.000 1.002 142 R HN 0.705 nan 8.270 nan 0.000 0.463 143 E N 2.436 122.568 120.200 -0.113 0.000 2.150 143 E HA -0.191 4.159 4.350 0.001 0.000 0.193 143 E C 0.711 177.316 176.600 0.009 0.000 0.985 143 E CA 1.373 57.772 56.400 -0.001 0.000 0.814 143 E CB 0.345 30.045 29.700 0.000 0.000 0.752 143 E HN 0.545 nan 8.360 nan 0.000 0.466 144 D N -0.235 120.116 120.400 -0.080 0.000 2.218 144 D HA -0.206 4.434 4.640 0.001 0.000 0.204 144 D C 1.452 177.859 176.300 0.177 0.000 0.976 144 D CA 0.674 54.680 54.000 0.010 0.000 0.853 144 D CB -0.700 40.071 40.800 -0.048 0.000 0.939 144 D HN 0.328 nan 8.370 nan 0.000 0.481 145 W N 1.109 122.326 121.300 -0.139 0.000 2.443 145 W HA 0.231 4.892 4.660 0.001 0.000 0.296 145 W C 2.535 179.086 176.519 0.054 0.000 1.202 145 W CA -0.128 57.136 57.345 -0.136 0.000 1.312 145 W CB -0.915 28.258 29.460 -0.478 0.000 1.120 145 W HN -0.023 nan 8.180 nan 0.000 0.536 146 L N 0.427 121.865 121.223 0.358 0.000 2.012 146 L HA -0.254 4.086 4.340 0.001 0.000 0.210 146 L C 2.573 179.537 176.870 0.155 0.000 1.073 146 L CA 1.839 56.848 54.840 0.280 0.000 0.748 146 L CB -0.952 41.231 42.059 0.207 0.000 0.891 146 L HN -0.069 nan 8.230 nan 0.000 0.431 147 K N 0.946 121.419 120.400 0.123 0.000 2.026 147 K HA -0.267 4.053 4.320 0.001 0.000 0.208 147 K C 2.255 178.896 176.600 0.069 0.000 1.048 147 K CA 1.793 58.127 56.287 0.079 0.000 0.929 147 K CB -0.075 32.465 32.500 0.066 0.000 0.713 147 K HN 0.115 nan 8.250 nan 0.000 0.439 148 K N 0.667 121.116 120.400 0.083 0.000 2.097 148 K HA -0.096 4.224 4.320 0.001 0.000 0.206 148 K C 1.707 178.323 176.600 0.025 0.000 1.049 148 K CA 1.203 57.518 56.287 0.047 0.000 0.933 148 K CB 0.012 32.536 32.500 0.039 0.000 0.717 148 K HN 0.230 nan 8.250 nan 0.000 0.442 149 L N 1.145 122.397 121.223 0.048 0.000 2.611 149 L HA 0.079 4.420 4.340 0.001 0.000 0.229 149 L C -0.258 176.624 176.870 0.020 0.000 1.137 149 L CA -0.218 54.639 54.840 0.028 0.000 0.901 149 L CB -0.238 41.858 42.059 0.061 0.000 1.098 149 L HN 0.248 nan 8.230 nan 0.000 0.456 150 N N 1.068 119.785 118.700 0.028 0.000 2.740 150 N HA -0.169 4.571 4.740 0.001 0.000 0.248 150 N C -0.587 174.927 175.510 0.008 0.000 1.062 150 N CA 0.886 53.945 53.050 0.016 0.000 0.704 150 N CB -1.446 37.042 38.487 0.002 0.000 0.968 150 N HN 0.331 nan 8.380 nan 0.000 0.547 151 L N -0.164 121.072 121.223 0.022 0.000 2.330 151 L HA 0.451 4.792 4.340 0.001 0.000 0.271 151 L C 0.746 177.620 176.870 0.007 0.000 1.013 151 L CA -0.785 54.053 54.840 -0.003 0.000 0.816 151 L CB 1.687 43.735 42.059 -0.018 0.000 1.287 151 L HN -0.131 nan 8.230 nan 0.000 0.435 152 K N 1.935 122.324 120.400 -0.018 0.000 2.095 152 K HA 0.428 4.748 4.320 0.001 0.000 0.252 152 K C -2.372 174.214 176.600 -0.024 0.000 0.977 152 K CA -1.644 54.637 56.287 -0.010 0.000 0.900 152 K CB 0.843 33.332 32.500 -0.018 0.000 1.060 152 K HN 0.335 nan 8.250 nan 0.000 0.449 153 P HA 0.015 nan 4.420 nan 0.000 0.264 153 P C -2.542 174.720 177.300 -0.064 0.000 1.193 153 P CA -0.930 62.162 63.100 -0.014 0.000 0.763 153 P CB -0.233 31.481 31.700 0.022 0.000 0.810 154 P HA 0.037 nan 4.420 nan 0.000 0.267 154 P C 0.375 177.588 177.300 -0.145 0.000 1.209 154 P CA 0.214 63.211 63.100 -0.172 0.000 0.763 154 P CB 0.741 32.273 31.700 -0.280 0.000 0.816 155 Q N 1.949 121.672 119.800 -0.129 0.000 2.396 155 Q HA 0.068 4.409 4.340 0.001 0.000 0.209 155 Q C 0.521 176.435 176.000 -0.143 0.000 0.906 155 Q CA 0.844 56.579 55.803 -0.113 0.000 0.927 155 Q CB 0.040 28.730 28.738 -0.080 0.000 1.069 155 Q HN 0.708 nan 8.270 nan 0.000 0.523 156 N N -2.041 116.554 118.700 -0.175 0.000 2.853 156 N HA 0.122 4.862 4.740 0.001 0.000 0.258 156 N C 0.210 175.559 175.510 -0.268 0.000 1.444 156 N CA -0.630 52.300 53.050 -0.200 0.000 0.837 156 N CB 0.093 38.483 38.487 -0.162 0.000 1.489 156 N HN -0.190 nan 8.380 nan 0.000 0.529 157 I N 0.061 120.443 120.570 -0.313 0.000 2.454 157 I HA -0.126 4.045 4.170 0.001 0.000 0.254 157 I C 0.685 176.682 176.117 -0.201 0.000 1.156 157 I CA 1.584 62.641 61.300 -0.405 0.000 1.433 157 I CB -0.576 37.069 38.000 -0.592 0.000 1.082 157 I HN 0.548 nan 8.210 nan 0.000 0.432 158 D N 0.470 120.785 120.400 -0.141 0.000 2.117 158 D HA -0.159 4.482 4.640 0.001 0.000 0.198 158 D C 2.074 178.346 176.300 -0.045 0.000 0.982 158 D CA 1.300 55.271 54.000 -0.050 0.000 0.828 158 D CB -0.160 40.605 40.800 -0.059 0.000 0.967 158 D HN 0.512 nan 8.370 nan 0.000 0.464 159 E N 0.375 120.504 120.200 -0.118 0.000 2.152 159 E HA -0.060 4.290 4.350 0.001 0.000 0.192 159 E C 2.240 178.704 176.600 -0.227 0.000 0.983 159 E CA 0.010 56.321 56.400 -0.148 0.000 0.818 159 E CB 0.074 29.683 29.700 -0.151 0.000 0.758 159 E HN 0.221 nan 8.360 nan 0.000 0.467 160 L N 0.331 121.388 121.223 -0.276 0.000 2.046 160 L HA -0.210 4.130 4.340 0.001 0.000 0.208 160 L C 2.461 179.096 176.870 -0.392 0.000 1.077 160 L CA 1.395 55.986 54.840 -0.415 0.000 0.747 160 L CB -0.260 41.473 42.059 -0.543 0.000 0.896 160 L HN 0.218 nan 8.230 nan 0.000 0.432 161 Y N 0.572 120.686 120.300 -0.310 0.000 2.145 161 Y HA -0.313 4.238 4.550 0.001 0.000 0.286 161 Y C 2.538 178.218 175.900 -0.368 0.000 1.145 161 Y CA 2.455 60.343 58.100 -0.353 0.000 1.148 161 Y CB -0.428 37.992 38.460 -0.067 0.000 0.981 161 Y HN 0.102 nan 8.280 nan 0.000 0.507 162 T N -0.233 114.165 114.554 -0.260 0.000 2.720 162 T HA -0.205 4.145 4.350 0.001 0.000 0.268 162 T C 1.971 176.406 174.700 -0.442 0.000 1.037 162 T CA 1.747 63.660 62.100 -0.312 0.000 1.144 162 T CB -0.723 68.053 68.868 -0.152 0.000 0.864 162 T HN 0.230 nan 8.240 nan 0.000 0.444 163 V N 1.371 120.989 119.914 -0.493 0.000 2.307 163 V HA -0.077 4.044 4.120 0.001 0.000 0.245 163 V C 2.471 177.993 176.094 -0.954 0.000 1.045 163 V CA 1.390 63.286 62.300 -0.674 0.000 1.024 163 V CB -0.619 30.800 31.823 -0.673 0.000 0.651 163 V HN 0.447 nan 8.190 nan 0.000 0.449 164 L N -0.625 120.095 121.223 -0.837 0.000 2.131 164 L HA -0.137 4.204 4.340 0.001 0.000 0.210 164 L C 2.676 179.237 176.870 -0.514 0.000 1.092 164 L CA 1.263 55.701 54.840 -0.669 0.000 0.759 164 L CB -0.654 41.026 42.059 -0.631 0.000 0.903 164 L HN 0.250 nan 8.230 nan 0.000 0.435 165 K N 0.345 120.354 120.400 -0.651 0.000 2.097 165 K HA -0.094 4.227 4.320 0.001 0.000 0.205 165 K C 2.205 178.615 176.600 -0.317 0.000 1.050 165 K CA 1.421 57.391 56.287 -0.529 0.000 0.938 165 K CB -0.295 31.800 32.500 -0.675 0.000 0.718 165 K HN 0.275 nan 8.250 nan 0.000 0.442 166 A N 0.984 123.609 122.820 -0.324 0.000 1.898 166 A HA -0.132 4.188 4.320 0.001 0.000 0.216 166 A C 1.987 179.554 177.584 -0.028 0.000 1.181 166 A CA 1.123 53.050 52.037 -0.183 0.000 0.620 166 A CB -0.573 18.310 19.000 -0.195 0.000 0.819 166 A HN 0.124 nan 8.150 nan 0.000 0.442 167 F N 0.287 120.137 119.950 -0.167 0.000 2.134 167 F HA -0.104 4.423 4.527 0.001 0.000 0.299 167 F C 2.203 177.887 175.800 -0.194 0.000 1.097 167 F CA 1.633 59.537 58.000 -0.160 0.000 1.264 167 F CB -0.860 38.169 39.000 0.048 0.000 1.001 167 F HN 0.231 nan 8.300 nan 0.000 0.479 168 K N 0.642 121.067 120.400 0.042 0.000 2.057 168 K HA -0.141 4.179 4.320 0.001 0.000 0.206 168 K C 1.603 178.158 176.600 -0.074 0.000 1.050 168 K CA 1.664 57.932 56.287 -0.032 0.000 0.935 168 K CB -0.159 32.293 32.500 -0.079 0.000 0.715 168 K HN 0.294 nan 8.250 nan 0.000 0.439 169 E N -0.730 119.413 120.200 -0.094 0.000 2.460 169 E HA 0.056 4.407 4.350 0.001 0.000 0.200 169 E C 0.611 177.153 176.600 -0.096 0.000 1.011 169 E CA 0.186 56.531 56.400 -0.093 0.000 0.912 169 E CB 0.485 30.127 29.700 -0.096 0.000 0.953 169 E HN 0.154 nan 8.360 nan 0.000 0.494 170 K N 1.371 121.705 120.400 -0.109 0.000 2.437 170 K HA 0.025 4.346 4.320 0.001 0.000 0.205 170 K C -0.476 176.030 176.600 -0.158 0.000 1.026 170 K CA -0.043 56.175 56.287 -0.115 0.000 1.153 170 K CB 0.298 32.741 32.500 -0.095 0.000 0.863 170 K HN -0.078 nan 8.250 nan 0.000 0.502 171 D N 1.486 121.774 120.400 -0.187 0.000 2.697 171 D HA -0.116 4.524 4.640 0.001 0.000 0.235 171 D C -1.433 174.673 176.300 -0.324 0.000 1.167 171 D CA 0.183 54.051 54.000 -0.221 0.000 0.656 171 D CB 0.081 40.799 40.800 -0.137 0.000 1.025 171 D HN 0.210 nan 8.370 nan 0.000 0.419 172 P HA -0.179 nan 4.420 nan 0.000 0.222 172 P C 0.907 177.811 177.300 -0.661 0.000 1.147 172 P CA 1.287 63.908 63.100 -0.798 0.000 0.790 172 P CB -0.041 30.753 31.700 -1.510 0.000 0.780 173 N N -0.535 117.872 118.700 -0.488 0.000 2.461 173 N HA 0.063 4.803 4.740 0.001 0.000 0.188 173 N C 1.295 176.780 175.510 -0.042 0.000 1.134 173 N CA 0.687 53.693 53.050 -0.073 0.000 0.878 173 N CB -1.426 37.124 38.487 0.104 0.000 0.972 173 N HN 0.117 nan 8.380 nan 0.000 0.456 174 G N 1.154 109.890 108.800 -0.108 0.000 2.283 174 G HA2 -0.374 3.586 3.960 0.001 0.000 0.280 174 G HA3 -0.374 3.586 3.960 0.001 0.000 0.280 174 G C 0.351 175.231 174.900 -0.033 0.000 1.029 174 G CA 0.628 45.690 45.100 -0.063 0.000 0.840 174 G HN 0.765 nan 8.290 nan 0.000 0.505 175 N N -0.665 118.016 118.700 -0.033 0.000 2.230 175 N HA 0.394 5.134 4.740 0.001 0.000 0.202 175 N C 1.616 177.113 175.510 -0.022 0.000 1.119 175 N CA 0.584 53.625 53.050 -0.015 0.000 0.851 175 N CB 0.081 38.569 38.487 0.000 0.000 0.990 175 N HN 1.469 nan 8.380 nan 0.000 0.497 176 G N -0.240 108.539 108.800 -0.036 0.000 2.155 176 G HA2 -0.316 3.645 3.960 0.001 0.000 0.257 176 G HA3 -0.316 3.645 3.960 0.001 0.000 0.257 176 G C -0.421 174.459 174.900 -0.033 0.000 0.983 176 G CA 0.502 45.581 45.100 -0.034 0.000 0.676 176 G HN 0.518 nan 8.290 nan 0.000 0.528 177 K N -0.458 119.921 120.400 -0.036 0.000 2.318 177 K HA 0.719 5.040 4.320 0.001 0.000 0.249 177 K C 0.146 176.721 176.600 -0.042 0.000 0.942 177 K CA -0.322 55.947 56.287 -0.030 0.000 0.808 177 K CB 2.130 34.620 32.500 -0.017 0.000 1.189 177 K HN 0.448 nan 8.250 nan 0.000 0.428 178 A N 2.675 125.473 122.820 -0.037 0.000 3.056 178 A HA 0.067 4.388 4.320 0.001 0.000 0.274 178 A C 0.001 177.568 177.584 -0.028 0.000 1.661 178 A CA -0.208 51.803 52.037 -0.043 0.000 1.363 178 A CB -0.649 18.327 19.000 -0.040 0.000 1.139 178 A HN 0.775 nan 8.150 nan 0.000 0.598 179 D N -0.401 119.985 120.400 -0.022 0.000 2.433 179 D HA 0.077 4.717 4.640 0.001 0.000 0.211 179 D C -0.043 176.274 176.300 0.028 0.000 1.114 179 D CA -0.024 53.978 54.000 0.004 0.000 0.837 179 D CB -0.074 40.734 40.800 0.014 0.000 0.984 179 D HN 0.385 nan 8.370 nan 0.000 0.505 180 E N 0.090 120.297 120.200 0.012 0.000 2.392 180 E HA 0.326 4.677 4.350 0.001 0.000 0.264 180 E C -0.541 176.123 176.600 0.107 0.000 1.024 180 E CA -0.122 56.324 56.400 0.077 0.000 0.903 180 E CB 1.700 31.370 29.700 -0.051 0.000 0.963 180 E HN -0.083 nan 8.360 nan 0.000 0.432 181 V N 5.995 126.014 119.914 0.175 0.000 2.305 181 V HA 0.146 4.266 4.120 0.001 0.000 0.275 181 V C -1.833 174.409 176.094 0.248 0.000 1.020 181 V CA -1.462 60.926 62.300 0.147 0.000 0.811 181 V CB 1.306 33.179 31.823 0.083 0.000 1.031 181 V HN 0.601 nan 8.190 nan 0.000 0.439 182 P HA -0.194 nan 4.420 nan 0.000 0.214 182 P C 0.223 177.844 177.300 0.535 0.000 1.172 182 P CA 1.510 64.877 63.100 0.446 0.000 0.925 182 P CB 0.201 32.059 31.700 0.264 0.000 0.793 183 F N -0.013 120.127 119.950 0.316 0.000 2.427 183 F HA 0.528 5.055 4.527 0.001 0.000 0.346 183 F C -0.303 175.606 175.800 0.183 0.000 1.120 183 F CA -1.357 56.856 58.000 0.355 0.000 1.033 183 F CB 0.681 39.958 39.000 0.462 0.000 1.126 183 F HN -0.199 nan 8.300 nan 0.000 0.462 184 I N 2.672 122.858 120.570 -0.639 0.000 2.969 184 I HA 0.709 4.879 4.170 0.001 0.000 0.307 184 I C -1.766 173.830 176.117 -0.869 0.000 1.149 184 I CA -0.557 60.371 61.300 -0.621 0.000 1.008 184 I CB 2.321 40.056 38.000 -0.442 0.000 1.232 184 I HN 0.533 nan 8.210 nan 0.000 0.435 185 D N 1.676 121.755 120.400 -0.536 0.000 2.787 185 D HA 0.226 4.867 4.640 0.001 0.000 0.215 185 D C 0.062 176.272 176.300 -0.149 0.000 1.246 185 D CA -0.482 53.326 54.000 -0.320 0.000 0.798 185 D CB 2.166 42.826 40.800 -0.233 0.000 1.649 185 D HN 0.861 nan 8.370 nan 0.000 0.507 186 R N 1.146 121.599 120.500 -0.079 0.000 2.280 186 R HA 0.019 4.360 4.340 0.001 0.000 0.207 186 R C -0.035 176.152 176.300 -0.188 0.000 1.043 186 R CA 0.784 56.813 56.100 -0.118 0.000 1.006 186 R CB -0.224 30.014 30.300 -0.103 0.000 0.885 186 R HN 0.227 nan 8.270 nan 0.000 0.467 187 H N 0.795 119.929 119.070 0.106 0.000 2.595 187 H HA 0.241 4.797 4.556 0.001 0.000 0.313 187 H C -1.944 173.415 175.328 0.052 0.000 1.023 187 H CA -2.252 53.876 56.048 0.134 0.000 1.218 187 H CB 2.011 31.936 29.762 0.270 0.000 1.403 187 H HN -0.094 nan 8.280 nan 0.000 0.477 188 P HA -0.188 nan 4.420 nan 0.000 0.216 188 P C 0.508 177.831 177.300 0.039 0.000 1.150 188 P CA 1.300 64.418 63.100 0.030 0.000 0.843 188 P CB 0.332 32.152 31.700 0.201 0.000 0.787 189 D N -0.768 119.685 120.400 0.089 0.000 2.265 189 D HA -0.166 4.475 4.640 0.001 0.000 0.208 189 D C 1.712 178.087 176.300 0.125 0.000 0.977 189 D CA 0.786 54.831 54.000 0.074 0.000 0.871 189 D CB -0.536 39.766 40.800 -0.830 0.000 0.925 189 D HN 0.221 nan 8.370 nan 0.000 0.485 190 E N 0.254 120.543 120.200 0.149 0.000 2.338 190 E HA -0.088 4.263 4.350 0.001 0.000 0.197 190 E C 2.078 178.869 176.600 0.317 0.000 1.007 190 E CA 0.074 56.701 56.400 0.378 0.000 0.849 190 E CB -0.158 29.842 29.700 0.500 0.000 0.774 190 E HN 0.233 nan 8.360 nan 0.000 0.506 191 V N -0.002 119.969 119.914 0.096 0.000 2.515 191 V HA -0.209 3.911 4.120 0.001 0.000 0.250 191 V C 1.652 177.642 176.094 -0.173 0.000 1.058 191 V CA 1.370 63.608 62.300 -0.103 0.000 1.064 191 V CB -0.390 31.182 31.823 -0.418 0.000 0.675 191 V HN 0.151 nan 8.190 nan 0.000 0.461 192 F N -0.074 119.992 119.950 0.193 0.000 2.367 192 F HA 0.076 4.603 4.527 0.001 0.000 0.298 192 F C 2.451 178.369 175.800 0.196 0.000 1.094 192 F CA 1.185 59.287 58.000 0.171 0.000 1.409 192 F CB -0.294 38.908 39.000 0.337 0.000 1.064 192 F HN 0.004 nan 8.300 nan 0.000 0.528 193 R N 1.035 121.785 120.500 0.418 0.000 2.285 193 R HA -0.074 4.267 4.340 0.001 0.000 0.213 193 R C 1.726 178.126 176.300 0.166 0.000 1.068 193 R CA 0.572 56.867 56.100 0.324 0.000 1.004 193 R CB -0.326 30.194 30.300 0.367 0.000 0.873 193 R HN 0.361 nan 8.270 nan 0.000 0.467 194 L N 0.560 121.868 121.223 0.141 0.000 2.362 194 L HA -0.112 4.228 4.340 0.001 0.000 0.219 194 L C 2.127 179.095 176.870 0.163 0.000 1.134 194 L CA 0.648 55.566 54.840 0.130 0.000 0.807 194 L CB -0.277 41.809 42.059 0.045 0.000 0.927 194 L HN 0.195 nan 8.230 nan 0.000 0.447 195 V N -3.525 116.475 119.914 0.144 0.000 3.026 195 V HA -0.164 3.956 4.120 0.001 0.000 0.265 195 V C 2.002 178.182 176.094 0.143 0.000 1.121 195 V CA 1.508 63.916 62.300 0.179 0.000 1.142 195 V CB -0.834 30.980 31.823 -0.015 0.000 0.730 195 V HN 0.428 nan 8.190 nan 0.000 0.503 196 N N 0.940 119.659 118.700 0.032 0.000 2.272 196 N HA -0.090 4.651 4.740 0.001 0.000 0.185 196 N C 1.282 176.570 175.510 -0.371 0.000 1.014 196 N CA 1.584 54.635 53.050 0.002 0.000 0.870 196 N CB -0.606 37.865 38.487 -0.026 0.000 0.975 196 N HN 0.613 nan 8.380 nan 0.000 0.433 197 F N -1.077 118.640 119.950 -0.390 0.000 2.641 197 F HA -0.017 4.510 4.527 0.001 0.000 0.298 197 F C 1.195 176.292 175.800 -1.173 0.000 1.146 197 F CA 0.273 57.739 58.000 -0.889 0.000 1.464 197 F CB -0.105 38.127 39.000 -1.281 0.000 1.101 197 F HN 0.166 nan 8.300 nan 0.000 0.585 198 W N -0.173 120.988 121.300 -0.232 0.000 2.693 198 W HA 0.409 5.070 4.660 0.001 0.000 0.415 198 W C 1.248 177.604 176.519 -0.271 0.000 0.932 198 W CA 0.365 57.537 57.345 -0.287 0.000 2.200 198 W CB -0.074 29.196 29.460 -0.317 0.000 1.188 198 W HN 0.122 nan 8.180 nan 0.000 0.665 199 G N 1.397 110.001 108.800 -0.326 0.000 2.153 199 G HA2 -0.130 3.831 3.960 0.001 0.000 0.252 199 G HA3 -0.130 3.831 3.960 0.001 0.000 0.252 199 G C 0.185 175.066 174.900 -0.031 0.000 0.994 199 G CA 0.276 45.097 45.100 -0.465 0.000 0.698 199 G HN 0.400 nan 8.290 nan 0.000 0.521 200 A N -0.005 122.915 122.820 0.166 0.000 2.330 200 A HA 0.854 5.174 4.320 0.001 0.000 0.327 200 A C 0.550 178.368 177.584 0.391 0.000 1.155 200 A CA -0.661 51.551 52.037 0.291 0.000 0.803 200 A CB 0.994 20.115 19.000 0.202 0.000 1.208 200 A HN 0.277 nan 8.150 nan 0.000 0.477 201 R N 0.989 121.626 120.500 0.230 0.000 2.560 201 R HA 0.344 4.684 4.340 0.001 0.000 0.270 201 R C 1.047 177.429 176.300 0.138 0.000 1.074 201 R CA 0.540 56.631 56.100 -0.014 0.000 1.140 201 R CB 1.170 31.146 30.300 -0.540 0.000 1.073 201 R HN 0.918 nan 8.270 nan 0.000 0.527 202 S N -1.486 114.313 115.700 0.165 0.000 2.554 202 S HA 0.120 4.590 4.470 0.001 0.000 0.227 202 S C 0.450 175.286 174.600 0.392 0.000 1.050 202 S CA -0.031 58.400 58.200 0.385 0.000 0.927 202 S CB 0.562 64.062 63.200 0.502 0.000 0.859 202 S HN 0.508 nan 8.310 nan 0.000 0.494 203 S N -1.214 114.567 115.700 0.134 0.000 2.552 203 S HA 0.574 5.044 4.470 0.001 0.000 0.272 203 S C 0.323 174.886 174.600 -0.062 0.000 1.150 203 S CA -0.030 58.208 58.200 0.063 0.000 0.849 203 S CB 0.947 64.263 63.200 0.193 0.000 1.113 203 S HN 0.442 nan 8.310 nan 0.000 0.458 204 G N 1.105 109.890 108.800 -0.026 0.000 2.985 204 G HA2 0.411 4.372 3.960 0.001 0.000 0.209 204 G HA3 0.411 4.372 3.960 0.001 0.000 0.209 204 G C 0.452 175.420 174.900 0.114 0.000 1.165 204 G CA 0.687 45.807 45.100 0.033 0.000 0.776 204 G HN 1.433 nan 8.290 nan 0.000 0.541 205 S N -1.481 114.277 115.700 0.097 0.000 2.724 205 S HA 0.259 4.730 4.470 0.001 0.000 0.278 205 S C 0.080 174.685 174.600 0.009 0.000 1.190 205 S CA 0.160 58.411 58.200 0.085 0.000 0.860 205 S CB 0.906 64.201 63.200 0.158 0.000 1.206 205 S HN -0.098 nan 8.310 nan 0.000 0.507 206 D N 0.368 120.758 120.400 -0.017 0.000 2.371 206 D HA 0.085 4.726 4.640 0.001 0.000 0.221 206 D C -0.122 176.081 176.300 -0.163 0.000 0.986 206 D CA 0.627 54.564 54.000 -0.106 0.000 0.899 206 D CB -0.561 40.215 40.800 -0.041 0.000 0.902 206 D HN 0.527 nan 8.370 nan 0.000 0.530 207 N N -0.131 118.550 118.700 -0.033 0.000 2.419 207 N HA 0.170 4.911 4.740 0.001 0.000 0.264 207 N C -0.882 174.659 175.510 0.051 0.000 1.031 207 N CA -0.505 52.562 53.050 0.030 0.000 0.951 207 N CB 0.676 39.260 38.487 0.160 0.000 1.101 207 N HN 0.079 nan 8.380 nan 0.000 0.488 208 Y N 2.034 122.466 120.300 0.221 0.000 2.683 208 Y HA -0.102 4.449 4.550 0.001 0.000 0.340 208 Y C 1.274 177.300 175.900 0.210 0.000 1.245 208 Y CA 0.118 58.369 58.100 0.252 0.000 1.485 208 Y CB 0.318 38.962 38.460 0.306 0.000 1.328 208 Y HN 0.509 nan 8.280 nan 0.000 0.603 209 M N 0.648 120.475 119.600 0.378 0.000 2.461 209 M HA -0.275 4.205 4.480 0.001 0.000 0.203 209 M C -1.006 175.377 176.300 0.138 0.000 0.428 209 M CA 0.531 55.912 55.300 0.136 0.000 0.509 209 M CB -1.168 31.368 32.600 -0.107 0.000 1.851 209 M HN 0.593 nan 8.290 nan 0.000 0.834 210 D N -0.223 120.226 120.400 0.080 0.000 2.312 210 D HA 0.524 5.165 4.640 0.001 0.000 0.248 210 D C -0.103 176.036 176.300 -0.268 0.000 1.086 210 D CA -0.112 53.918 54.000 0.051 0.000 0.948 210 D CB 0.660 41.596 40.800 0.226 0.000 1.162 210 D HN 0.082 nan 8.370 nan 0.000 0.446 211 F N 1.057 120.850 119.950 -0.263 0.000 2.435 211 F HA 0.253 4.780 4.527 0.001 0.000 0.316 211 F C 0.427 175.844 175.800 -0.638 0.000 1.220 211 F CA 0.062 57.750 58.000 -0.519 0.000 1.241 211 F CB 0.256 38.869 39.000 -0.644 0.000 1.234 211 F HN 0.262 nan 8.300 nan 0.000 0.569 212 Y N -0.993 118.966 120.300 -0.568 0.000 2.655 212 Y HA 0.722 5.272 4.550 0.001 0.000 0.336 212 Y C -1.830 173.813 175.900 -0.427 0.000 1.154 212 Y CA -2.147 55.649 58.100 -0.507 0.000 1.055 212 Y CB 0.732 39.040 38.460 -0.253 0.000 1.295 212 Y HN 0.257 nan 8.280 nan 0.000 0.465 213 I N 2.511 122.878 120.570 -0.339 0.000 2.404 213 I HA 0.316 4.486 4.170 0.001 0.000 0.293 213 I C -1.099 174.833 176.117 -0.308 0.000 0.992 213 I CA -0.468 60.567 61.300 -0.441 0.000 1.149 213 I CB 1.245 39.043 38.000 -0.338 0.000 1.315 213 I HN 0.743 nan 8.210 nan 0.000 0.446 214 D N 6.000 126.171 120.400 -0.383 0.000 2.469 214 D HA 0.298 4.939 4.640 0.001 0.000 0.251 214 D C -0.114 176.116 176.300 -0.116 0.000 1.173 214 D CA -0.231 53.672 54.000 -0.162 0.000 0.882 214 D CB 0.342 41.054 40.800 -0.146 0.000 1.129 214 D HN 0.591 nan 8.370 nan 0.000 0.549 215 N N 3.170 121.840 118.700 -0.049 0.000 2.714 215 N HA -0.224 4.516 4.740 0.001 0.000 0.253 215 N C 0.800 176.288 175.510 -0.036 0.000 1.024 215 N CA 0.407 53.446 53.050 -0.017 0.000 0.726 215 N CB -0.688 37.802 38.487 0.005 0.000 0.908 215 N HN 0.786 nan 8.380 nan 0.000 0.542 216 G N -0.784 107.972 108.800 -0.073 0.000 2.189 216 G HA2 -0.357 3.604 3.960 0.001 0.000 0.267 216 G HA3 -0.357 3.604 3.960 0.001 0.000 0.267 216 G C -0.052 174.698 174.900 -0.249 0.000 0.975 216 G CA 0.410 45.477 45.100 -0.055 0.000 0.644 216 G HN 0.376 nan 8.290 nan 0.000 0.537 217 R N 0.152 120.481 120.500 -0.285 0.000 2.338 217 R HA 0.558 4.899 4.340 0.001 0.000 0.317 217 R C 0.114 176.167 176.300 -0.412 0.000 0.968 217 R CA -0.814 55.121 56.100 -0.275 0.000 0.849 217 R CB 1.586 31.795 30.300 -0.153 0.000 1.128 217 R HN 0.144 nan 8.270 nan 0.000 0.448 218 V N 4.239 123.923 119.914 -0.384 0.000 2.508 218 V HA 0.207 4.327 4.120 0.001 0.000 0.281 218 V C 0.584 176.508 176.094 -0.283 0.000 1.041 218 V CA 0.152 62.215 62.300 -0.395 0.000 1.016 218 V CB 0.369 32.017 31.823 -0.292 0.000 0.984 218 V HN 0.547 nan 8.190 nan 0.000 0.478 219 K N 2.692 122.863 120.400 -0.383 0.000 2.480 219 K HA 0.511 4.831 4.320 0.001 0.000 0.258 219 K C -1.117 175.456 176.600 -0.045 0.000 0.990 219 K CA -0.971 55.185 56.287 -0.219 0.000 0.857 219 K CB 2.393 34.653 32.500 -0.400 0.000 1.384 219 K HN 0.681 nan 8.250 nan 0.000 0.446 220 H N 2.319 121.418 119.070 0.049 0.000 2.511 220 H HA 0.206 4.762 4.556 0.001 0.000 0.328 220 H C -2.224 173.214 175.328 0.183 0.000 1.044 220 H CA -2.192 53.838 56.048 -0.030 0.000 1.212 220 H CB 1.884 31.477 29.762 -0.281 0.000 1.428 220 H HN 0.235 nan 8.280 nan 0.000 0.483 221 P HA -0.179 nan 4.420 nan 0.000 0.216 221 P C 0.812 178.258 177.300 0.244 0.000 1.154 221 P CA 1.331 64.558 63.100 0.211 0.000 0.865 221 P CB -0.009 31.718 31.700 0.045 0.000 0.789 222 W N -0.811 120.459 121.300 -0.051 0.000 2.825 222 W HA 0.225 4.886 4.660 0.001 0.000 0.243 222 W C 2.094 178.736 176.519 0.205 0.000 1.293 222 W CA 0.636 57.722 57.345 -0.431 0.000 1.403 222 W CB -1.242 28.005 29.460 -0.354 0.000 1.134 222 W HN -0.036 nan 8.180 nan 0.000 0.666 223 A N -0.736 122.392 122.820 0.512 0.000 2.267 223 A HA 0.097 4.418 4.320 0.001 0.000 0.213 223 A C 0.901 178.863 177.584 0.630 0.000 1.192 223 A CA 0.200 52.525 52.037 0.480 0.000 0.851 223 A CB -0.096 19.061 19.000 0.262 0.000 0.881 223 A HN -0.119 nan 8.150 nan 0.000 0.494 224 E N 0.328 120.886 120.200 0.598 0.000 2.343 224 E HA 0.181 4.532 4.350 0.001 0.000 0.269 224 E C 1.212 178.130 176.600 0.530 0.000 1.047 224 E CA 0.554 57.267 56.400 0.522 0.000 0.874 224 E CB 0.835 30.778 29.700 0.405 0.000 1.033 224 E HN 0.378 nan 8.360 nan 0.000 0.409 225 T N -0.992 113.763 114.554 0.336 0.000 2.881 225 T HA -0.134 4.217 4.350 0.001 0.000 0.270 225 T C 1.722 176.366 174.700 -0.093 0.000 1.068 225 T CA 1.074 63.183 62.100 0.015 0.000 1.131 225 T CB -0.014 68.857 68.868 0.004 0.000 0.871 225 T HN 0.428 nan 8.240 nan 0.000 0.479 226 A N 0.689 123.554 122.820 0.076 0.000 1.972 226 A HA 0.090 4.411 4.320 0.001 0.000 0.219 226 A C 1.999 179.607 177.584 0.041 0.000 1.169 226 A CA 1.234 53.307 52.037 0.060 0.000 0.635 226 A CB -1.104 17.987 19.000 0.150 0.000 0.810 226 A HN 0.565 nan 8.150 nan 0.000 0.446 227 F N 0.250 120.187 119.950 -0.022 0.000 2.146 227 F HA -0.116 4.411 4.527 0.001 0.000 0.298 227 F C 2.416 178.063 175.800 -0.257 0.000 1.096 227 F CA 1.809 59.777 58.000 -0.054 0.000 1.275 227 F CB -0.116 38.953 39.000 0.114 0.000 1.008 227 F HN 0.207 nan 8.300 nan 0.000 0.480 228 R N 0.551 120.769 120.500 -0.469 0.000 2.080 228 R HA -0.194 4.146 4.340 0.001 0.000 0.236 228 R C 1.843 177.713 176.300 -0.716 0.000 1.137 228 R CA 2.309 57.827 56.100 -0.970 0.000 0.943 228 R CB -0.687 28.520 30.300 -1.822 0.000 0.846 228 R HN 0.253 nan 8.270 nan 0.000 0.431 229 D N -0.682 119.398 120.400 -0.534 0.000 2.144 229 D HA -0.109 4.532 4.640 0.001 0.000 0.199 229 D C 1.749 177.815 176.300 -0.390 0.000 0.984 229 D CA 1.568 55.318 54.000 -0.416 0.000 0.834 229 D CB -0.486 40.161 40.800 -0.255 0.000 0.955 229 D HN 0.546 nan 8.370 nan 0.000 0.465 230 G N 0.596 109.198 108.800 -0.330 0.000 2.408 230 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 230 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 230 G C 1.548 176.139 174.900 -0.515 0.000 1.150 230 G CA 0.308 45.229 45.100 -0.298 0.000 0.776 230 G HN 0.096 nan 8.290 nan 0.000 0.542 231 M N 0.595 119.809 119.600 -0.644 0.000 2.296 231 M HA 0.050 4.530 4.480 0.001 0.000 0.265 231 M C 2.300 178.285 176.300 -0.525 0.000 1.064 231 M CA 0.907 55.849 55.300 -0.597 0.000 1.109 231 M CB -0.684 31.512 32.600 -0.674 0.000 1.396 231 M HN 0.241 nan 8.290 nan 0.000 0.430 232 K N -1.014 119.021 120.400 -0.609 0.000 2.097 232 K HA -0.149 4.171 4.320 0.001 0.000 0.206 232 K C 1.902 178.119 176.600 -0.637 0.000 1.049 232 K CA 0.907 56.842 56.287 -0.587 0.000 0.933 232 K CB -0.199 31.920 32.500 -0.635 0.000 0.717 232 K HN 0.438 nan 8.250 nan 0.000 0.442 233 H N 0.136 118.732 119.070 -0.790 0.000 2.333 233 H HA -0.050 4.506 4.556 0.001 0.000 0.302 233 H C 2.309 177.120 175.328 -0.862 0.000 1.075 233 H CA 1.214 56.612 56.048 -1.083 0.000 1.348 233 H CB -0.121 28.237 29.762 -2.339 0.000 1.393 233 H HN -0.067 nan 8.280 nan 0.000 0.509 234 V N 1.314 120.866 119.914 -0.603 0.000 2.343 234 V HA -0.237 3.883 4.120 0.001 0.000 0.247 234 V C 2.839 178.902 176.094 -0.053 0.000 1.051 234 V CA 1.485 63.603 62.300 -0.303 0.000 1.036 234 V CB -1.023 30.672 31.823 -0.213 0.000 0.654 234 V HN 0.439 nan 8.190 nan 0.000 0.451 235 A N -0.331 122.427 122.820 -0.104 0.000 1.933 235 A HA -0.304 4.017 4.320 0.001 0.000 0.218 235 A C 2.195 179.842 177.584 0.105 0.000 1.175 235 A CA 2.194 54.239 52.037 0.013 0.000 0.628 235 A CB -0.522 18.440 19.000 -0.064 0.000 0.814 235 A HN 0.545 nan 8.150 nan 0.000 0.444 236 Q N -1.228 118.592 119.800 0.033 0.000 2.084 236 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 236 Q C 1.673 177.872 176.000 0.332 0.000 0.978 236 Q CA 1.920 57.800 55.803 0.127 0.000 0.844 236 Q CB -0.439 28.329 28.738 0.050 0.000 0.898 236 Q HN 0.714 nan 8.270 nan 0.000 0.426 237 W N -0.508 120.843 121.300 0.085 0.000 2.363 237 W HA -0.144 4.517 4.660 0.001 0.000 0.296 237 W C 2.152 178.762 176.519 0.153 0.000 1.212 237 W CA 1.097 58.531 57.345 0.148 0.000 1.260 237 W CB -1.190 28.369 29.460 0.166 0.000 1.131 237 W HN 0.327 nan 8.180 nan 0.000 0.530 238 Y N 1.203 121.674 120.300 0.284 0.000 2.200 238 Y HA -0.197 4.353 4.550 0.001 0.000 0.290 238 Y C 2.598 178.586 175.900 0.147 0.000 1.137 238 Y CA 2.507 60.725 58.100 0.197 0.000 1.163 238 Y CB -0.514 38.046 38.460 0.167 0.000 0.988 238 Y HN -0.105 nan 8.280 nan 0.000 0.518 239 K N 0.469 121.047 120.400 0.296 0.000 2.097 239 K HA -0.208 4.113 4.320 0.001 0.000 0.206 239 K C 1.521 178.165 176.600 0.074 0.000 1.049 239 K CA 1.994 58.388 56.287 0.177 0.000 0.933 239 K CB -0.166 32.428 32.500 0.158 0.000 0.717 239 K HN 0.448 nan 8.250 nan 0.000 0.442 240 E N -1.011 119.241 120.200 0.087 0.000 2.502 240 E HA 0.009 4.360 4.350 0.001 0.000 0.194 240 E C 0.622 177.206 176.600 -0.027 0.000 1.062 240 E CA 0.378 56.799 56.400 0.035 0.000 0.867 240 E CB 0.271 30.008 29.700 0.062 0.000 0.888 240 E HN 0.620 nan 8.360 nan 0.000 0.510 241 G N 1.161 109.926 108.800 -0.058 0.000 2.148 241 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 241 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 241 G C 0.802 175.671 174.900 -0.051 0.000 0.981 241 G CA 0.301 45.340 45.100 -0.101 0.000 0.670 241 G HN 0.294 nan 8.290 nan 0.000 0.528 242 L N -0.669 120.538 121.223 -0.026 0.000 2.395 242 L HA 0.306 4.646 4.340 0.001 0.000 0.218 242 L C 1.390 178.359 176.870 0.165 0.000 1.130 242 L CA 0.705 55.529 54.840 -0.027 0.000 0.826 242 L CB -0.067 41.834 42.059 -0.264 0.000 0.941 242 L HN 0.307 nan 8.230 nan 0.000 0.451 243 I N -0.204 120.486 120.570 0.200 0.000 2.404 243 I HA 0.121 4.291 4.170 0.001 0.000 0.293 243 I C -0.081 176.129 176.117 0.155 0.000 0.992 243 I CA -0.878 60.629 61.300 0.345 0.000 1.149 243 I CB 1.687 39.960 38.000 0.455 0.000 1.315 243 I HN -0.135 nan 8.210 nan 0.000 0.446 244 D N 5.712 126.223 120.400 0.186 0.000 2.662 244 D HA -0.142 4.498 4.640 0.001 0.000 0.233 244 D C 1.117 177.459 176.300 0.070 0.000 1.129 244 D CA 0.773 54.817 54.000 0.073 0.000 0.851 244 D CB 0.826 41.643 40.800 0.029 0.000 1.152 244 D HN 0.520 nan 8.370 nan 0.000 0.507 245 K N 2.984 123.372 120.400 -0.020 0.000 2.152 245 K HA -0.169 4.152 4.320 0.001 0.000 0.206 245 K C 0.641 177.385 176.600 0.240 0.000 1.048 245 K CA 1.155 57.445 56.287 0.005 0.000 0.933 245 K CB 0.142 32.625 32.500 -0.028 0.000 0.721 245 K HN 0.535 nan 8.250 nan 0.000 0.447 246 E N 1.047 121.336 120.200 0.149 0.000 2.370 246 E HA -0.002 4.349 4.350 0.001 0.000 0.194 246 E C 1.159 177.831 176.600 0.120 0.000 1.057 246 E CA -0.339 56.154 56.400 0.154 0.000 1.011 246 E CB 0.232 29.985 29.700 0.087 0.000 1.132 246 E HN 0.293 nan 8.360 nan 0.000 0.450 247 I N 0.263 120.896 120.570 0.104 0.000 2.315 247 I HA -0.270 3.901 4.170 0.001 0.000 0.251 247 I C 1.061 177.085 176.117 -0.156 0.000 1.125 247 I CA 1.697 62.957 61.300 -0.067 0.000 1.392 247 I CB -0.161 37.759 38.000 -0.132 0.000 1.065 247 I HN 0.187 nan 8.210 nan 0.000 0.424 248 F N 0.492 120.516 119.950 0.125 0.000 2.710 248 F HA -0.069 4.459 4.527 0.001 0.000 0.298 248 F C 2.293 178.163 175.800 0.117 0.000 1.137 248 F CA 1.202 59.280 58.000 0.130 0.000 1.444 248 F CB -0.171 38.903 39.000 0.123 0.000 1.111 248 F HN 0.191 nan 8.300 nan 0.000 0.580 249 T N -3.957 110.731 114.554 0.223 0.000 2.954 249 T HA 0.134 4.484 4.350 0.001 0.000 0.252 249 T C 1.838 176.581 174.700 0.071 0.000 0.983 249 T CA -0.249 61.938 62.100 0.144 0.000 0.941 249 T CB -0.072 68.876 68.868 0.133 0.000 1.141 249 T HN 0.054 nan 8.240 nan 0.000 0.500 250 R N 1.826 122.353 120.500 0.045 0.000 2.082 250 R HA -0.084 4.257 4.340 0.001 0.000 0.234 250 R C 0.650 176.939 176.300 -0.019 0.000 1.136 250 R CA 1.895 57.995 56.100 -0.000 0.000 0.935 250 R CB -0.240 30.042 30.300 -0.030 0.000 0.842 250 R HN 0.444 nan 8.270 nan 0.000 0.430 251 K N -3.260 117.122 120.400 -0.030 0.000 1.909 251 K HA -0.330 3.990 4.320 0.001 0.000 0.242 251 K C 1.177 177.727 176.600 -0.083 0.000 1.617 251 K CA 0.896 57.151 56.287 -0.054 0.000 0.522 251 K CB -1.694 30.792 32.500 -0.024 0.000 0.770 251 K HN 0.281 nan 8.250 nan 0.000 0.792 252 A N 0.950 123.725 122.820 -0.075 0.000 1.899 252 A HA -0.323 3.997 4.320 0.001 0.000 0.230 252 A C 1.542 179.118 177.584 -0.014 0.000 1.593 252 A CA 2.904 54.913 52.037 -0.046 0.000 0.728 252 A CB -0.699 18.279 19.000 -0.037 0.000 0.848 252 A HN 0.483 nan 8.150 nan 0.000 0.490 253 K N -0.581 119.806 120.400 -0.022 0.000 2.577 253 K HA 0.471 4.791 4.320 0.001 0.000 0.210 253 K C 1.524 178.086 176.600 -0.063 0.000 1.048 253 K CA 0.326 56.608 56.287 -0.008 0.000 1.188 253 K CB 0.041 32.542 32.500 0.002 0.000 0.910 253 K HN 0.498 nan 8.250 nan 0.000 0.483 254 A N 1.558 124.313 122.820 -0.108 0.000 1.940 254 A HA -0.212 4.108 4.320 0.001 0.000 0.219 254 A C 2.090 179.479 177.584 -0.325 0.000 1.176 254 A CA 1.309 53.230 52.037 -0.194 0.000 0.631 254 A CB -0.167 18.707 19.000 -0.210 0.000 0.814 254 A HN 0.320 nan 8.150 nan 0.000 0.446 255 R N -0.700 119.604 120.500 -0.327 0.000 2.066 255 R HA -0.113 4.228 4.340 0.001 0.000 0.232 255 R C 2.137 178.191 176.300 -0.411 0.000 1.131 255 R CA 1.568 57.329 56.100 -0.565 0.000 0.955 255 R CB -0.355 29.627 30.300 -0.529 0.000 0.851 255 R HN 0.516 nan 8.270 nan 0.000 0.432 256 E N 0.825 120.966 120.200 -0.098 0.000 2.085 256 E HA -0.195 4.156 4.350 0.001 0.000 0.194 256 E C 2.071 178.654 176.600 -0.028 0.000 0.994 256 E CA 1.353 57.791 56.400 0.063 0.000 0.801 256 E CB -0.023 29.751 29.700 0.124 0.000 0.743 256 E HN 0.343 nan 8.360 nan 0.000 0.453 257 Q N -0.753 118.999 119.800 -0.078 0.000 1.990 257 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 257 Q C 2.011 177.954 176.000 -0.095 0.000 0.980 257 Q CA 1.305 57.064 55.803 -0.073 0.000 0.832 257 Q CB -0.066 28.625 28.738 -0.077 0.000 0.897 257 Q HN 0.268 nan 8.270 nan 0.000 0.427 258 M N -0.815 118.664 119.600 -0.201 0.000 2.236 258 M HA -0.022 4.459 4.480 0.001 0.000 0.266 258 M C 1.869 178.095 176.300 -0.122 0.000 1.070 258 M CA 1.414 56.587 55.300 -0.213 0.000 1.137 258 M CB -0.708 31.672 32.600 -0.367 0.000 1.378 258 M HN 0.185 nan 8.290 nan 0.000 0.426 259 F N -0.056 119.806 119.950 -0.148 0.000 2.270 259 F HA 0.058 4.585 4.527 0.001 0.000 0.295 259 F C 2.509 178.214 175.800 -0.159 0.000 1.087 259 F CA 0.521 58.445 58.000 -0.127 0.000 1.365 259 F CB -0.537 38.266 39.000 -0.329 0.000 1.056 259 F HN 0.236 nan 8.300 nan 0.000 0.506 260 G N -0.191 108.621 108.800 0.020 0.000 2.422 260 G HA2 -0.159 3.801 3.960 0.001 0.000 0.218 260 G HA3 -0.159 3.801 3.960 0.001 0.000 0.218 260 G C 1.762 176.679 174.900 0.029 0.000 1.140 260 G CA 0.810 45.906 45.100 -0.006 0.000 0.775 260 G HN 0.450 nan 8.290 nan 0.000 0.545 261 G N -0.339 108.488 108.800 0.045 0.000 2.985 261 G HA2 0.109 4.069 3.960 0.001 0.000 0.209 261 G HA3 0.109 4.069 3.960 0.001 0.000 0.209 261 G C 0.707 175.679 174.900 0.120 0.000 1.165 261 G CA 0.398 45.535 45.100 0.063 0.000 0.776 261 G HN 0.411 nan 8.290 nan 0.000 0.541 262 N N -0.847 117.955 118.700 0.172 0.000 2.738 262 N HA -0.152 4.588 4.740 0.001 0.000 0.249 262 N C 0.931 176.653 175.510 0.354 0.000 1.047 262 N CA 0.600 53.815 53.050 0.276 0.000 0.707 262 N CB -1.339 37.316 38.487 0.280 0.000 0.937 262 N HN 0.399 nan 8.380 nan 0.000 0.545 263 L N -2.122 119.264 121.223 0.272 0.000 2.653 263 L HA 0.377 4.718 4.340 0.001 0.000 0.230 263 L C 1.588 178.658 176.870 0.333 0.000 1.055 263 L CA 0.451 55.466 54.840 0.292 0.000 0.880 263 L CB 0.016 42.155 42.059 0.133 0.000 1.195 263 L HN 0.270 nan 8.230 nan 0.000 0.492 264 G N -0.686 108.212 108.800 0.163 0.000 2.395 264 G HA2 0.426 4.386 3.960 0.001 0.000 0.283 264 G HA3 0.426 4.386 3.960 0.001 0.000 0.283 264 G C 0.480 175.433 174.900 0.088 0.000 1.178 264 G CA 0.274 45.442 45.100 0.113 0.000 0.837 264 G HN 0.192 nan 8.290 nan 0.000 0.518 265 G N -0.339 108.591 108.800 0.217 0.000 3.104 265 G HA2 0.403 4.363 3.960 0.001 0.000 0.237 265 G HA3 0.403 4.363 3.960 0.001 0.000 0.237 265 G C -0.326 174.861 174.900 0.477 0.000 1.035 265 G CA -0.218 44.901 45.100 0.033 0.000 0.844 265 G HN 0.563 nan 8.290 nan 0.000 0.531 266 F N 0.470 120.656 119.950 0.393 0.000 2.635 266 F HA 0.622 5.149 4.527 0.001 0.000 0.314 266 F C -1.149 174.909 175.800 0.431 0.000 1.119 266 F CA -0.555 57.721 58.000 0.460 0.000 1.000 266 F CB 2.182 41.495 39.000 0.521 0.000 1.278 266 F HN -0.010 nan 8.300 nan 0.000 0.446 267 T N 3.043 117.519 114.554 -0.131 0.000 2.769 267 T HA 0.285 4.636 4.350 0.001 0.000 0.306 267 T C -2.330 172.361 174.700 -0.015 0.000 1.400 267 T CA -0.504 61.508 62.100 -0.147 0.000 1.007 267 T CB 1.456 70.326 68.868 0.003 0.000 1.392 267 T HN 0.807 nan 8.240 nan 0.000 0.500 268 H N 2.475 121.544 119.070 -0.002 0.000 2.762 268 H HA 0.512 5.068 4.556 0.001 0.000 0.310 268 H C -1.364 173.989 175.328 0.042 0.000 1.004 268 H CA -0.473 55.534 56.048 -0.068 0.000 1.267 268 H CB 0.860 30.572 29.762 -0.083 0.000 1.437 268 H HN 0.584 nan 8.280 nan 0.000 0.498 269 D N 3.306 123.644 120.400 -0.102 0.000 2.759 269 D HA 0.072 4.712 4.640 0.001 0.000 0.321 269 D C -0.807 175.454 176.300 -0.064 0.000 1.267 269 D CA -0.536 53.462 54.000 -0.002 0.000 0.933 269 D CB 1.308 42.192 40.800 0.139 0.000 1.431 269 D HN 0.334 nan 8.370 nan 0.000 0.504 270 W N 1.172 122.456 121.300 -0.027 0.000 2.210 270 W HA 0.200 4.861 4.660 0.001 0.000 0.330 270 W C 1.445 177.943 176.519 -0.035 0.000 1.334 270 W CA -0.286 57.079 57.345 0.032 0.000 1.227 270 W CB -0.118 29.416 29.460 0.122 0.000 1.178 270 W HN 0.344 nan 8.180 nan 0.000 0.560 271 F N 2.223 122.316 119.950 0.238 0.000 2.069 271 F HA -0.302 4.226 4.527 0.001 0.000 0.298 271 F C 2.354 178.172 175.800 0.031 0.000 1.113 271 F CA 2.332 60.450 58.000 0.198 0.000 1.214 271 F CB -1.187 37.914 39.000 0.169 0.000 0.978 271 F HN 0.506 nan 8.300 nan 0.000 0.474 272 A N 0.099 123.027 122.820 0.180 0.000 1.851 272 A HA -0.240 4.081 4.320 0.001 0.000 0.216 272 A C 2.361 179.984 177.584 0.065 0.000 1.195 272 A CA 2.625 54.588 52.037 -0.124 0.000 0.622 272 A CB -1.407 17.148 19.000 -0.743 0.000 0.831 272 A HN 0.425 nan 8.150 nan 0.000 0.444 273 S N -1.129 114.715 115.700 0.241 0.000 2.383 273 S HA -0.131 4.339 4.470 0.001 0.000 0.227 273 S C 1.813 176.544 174.600 0.219 0.000 1.026 273 S CA 1.879 60.276 58.200 0.329 0.000 0.981 273 S CB -1.209 62.190 63.200 0.331 0.000 0.818 273 S HN 0.498 nan 8.310 nan 0.000 0.472 274 T N 2.478 117.098 114.554 0.109 0.000 2.833 274 T HA 0.120 4.470 4.350 0.001 0.000 0.269 274 T C 1.666 176.359 174.700 -0.011 0.000 1.054 274 T CA 1.227 63.332 62.100 0.009 0.000 1.135 274 T CB -0.301 68.209 68.868 -0.597 0.000 0.869 274 T HN 0.279 nan 8.240 nan 0.000 0.466 275 M N 1.913 121.454 119.600 -0.099 0.000 2.619 275 M HA 0.034 4.515 4.480 0.001 0.000 0.251 275 M C 2.479 178.814 176.300 0.059 0.000 1.106 275 M CA 0.928 56.230 55.300 0.004 0.000 1.086 275 M CB -1.397 31.242 32.600 0.065 0.000 1.465 275 M HN 0.433 nan 8.290 nan 0.000 0.506 276 T N -2.623 111.944 114.554 0.020 0.000 3.035 276 T HA -0.058 4.293 4.350 0.001 0.000 0.268 276 T C 1.488 176.060 174.700 -0.212 0.000 1.109 276 T CA 0.630 62.670 62.100 -0.099 0.000 1.119 276 T CB -0.647 68.107 68.868 -0.190 0.000 0.900 276 T HN 0.185 nan 8.240 nan 0.000 0.503 277 F N 2.198 122.117 119.950 -0.052 0.000 2.502 277 F HA 0.151 4.678 4.527 0.001 0.000 0.298 277 F C 2.263 177.980 175.800 -0.138 0.000 1.111 277 F CA 0.189 58.102 58.000 -0.146 0.000 1.445 277 F CB -0.561 38.322 39.000 -0.195 0.000 1.081 277 F HN 0.155 nan 8.300 nan 0.000 0.558 278 N N 0.311 119.108 118.700 0.161 0.000 2.142 278 N HA -0.179 4.562 4.740 0.001 0.000 0.186 278 N C 1.927 177.486 175.510 0.083 0.000 1.023 278 N CA 1.322 54.492 53.050 0.199 0.000 0.852 278 N CB -0.350 38.234 38.487 0.161 0.000 0.998 278 N HN 0.232 nan 8.380 nan 0.000 0.424 279 E N 0.320 120.530 120.200 0.017 0.000 2.170 279 E HA 0.065 4.415 4.350 0.001 0.000 0.191 279 E C 1.855 178.421 176.600 -0.057 0.000 0.981 279 E CA 0.866 57.258 56.400 -0.013 0.000 0.830 279 E CB -0.643 29.045 29.700 -0.021 0.000 0.775 279 E HN 0.299 nan 8.360 nan 0.000 0.470 280 G N 0.396 109.128 108.800 -0.114 0.000 2.432 280 G HA2 -0.163 3.797 3.960 0.001 0.000 0.219 280 G HA3 -0.163 3.797 3.960 0.001 0.000 0.219 280 G C 1.272 176.099 174.900 -0.122 0.000 1.135 280 G CA 0.780 45.788 45.100 -0.153 0.000 0.767 280 G HN 0.324 nan 8.290 nan 0.000 0.550 281 L N 0.487 121.621 121.223 -0.149 0.000 2.667 281 L HA 0.334 4.674 4.340 0.001 0.000 0.232 281 L C 2.824 179.649 176.870 -0.074 0.000 1.138 281 L CA 0.198 54.930 54.840 -0.180 0.000 0.921 281 L CB 0.238 42.001 42.059 -0.493 0.000 1.180 281 L HN 0.218 nan 8.230 nan 0.000 0.487 282 A N 0.981 123.787 122.820 -0.023 0.000 1.948 282 A HA -0.272 4.048 4.320 0.001 0.000 0.220 282 A C 2.417 180.015 177.584 0.024 0.000 1.177 282 A CA 2.168 54.221 52.037 0.027 0.000 0.636 282 A CB -0.230 18.784 19.000 0.023 0.000 0.815 282 A HN 0.405 nan 8.150 nan 0.000 0.449 283 K N -1.101 119.300 120.400 0.002 0.000 2.078 283 K HA -0.081 4.240 4.320 0.001 0.000 0.203 283 K C 2.210 178.817 176.600 0.011 0.000 1.043 283 K CA 1.538 57.829 56.287 0.007 0.000 0.960 283 K CB -0.221 32.276 32.500 -0.003 0.000 0.761 283 K HN 0.573 nan 8.250 nan 0.000 0.448 284 T N -1.535 113.019 114.554 -0.001 0.000 2.904 284 T HA 0.003 4.353 4.350 0.001 0.000 0.267 284 T C 0.881 175.597 174.700 0.027 0.000 1.059 284 T CA 0.485 62.588 62.100 0.006 0.000 1.137 284 T CB 0.101 68.963 68.868 -0.009 0.000 0.879 284 T HN -0.055 nan 8.240 nan 0.000 0.467 285 V N 3.160 123.093 119.914 0.033 0.000 2.266 285 V HA 0.357 4.478 4.120 0.001 0.000 0.266 285 V C -2.747 173.425 176.094 0.130 0.000 1.036 285 V CA -2.285 60.072 62.300 0.095 0.000 0.828 285 V CB 0.696 32.591 31.823 0.120 0.000 1.081 285 V HN 0.169 nan 8.190 nan 0.000 0.449 286 P HA 0.153 nan 4.420 nan 0.000 0.260 286 P C 1.195 178.564 177.300 0.115 0.000 1.172 286 P CA 1.793 64.949 63.100 0.094 0.000 0.760 286 P CB 0.503 32.246 31.700 0.072 0.000 0.773 287 G N 3.104 111.968 108.800 0.107 0.000 2.217 287 G HA2 -0.309 3.651 3.960 0.001 0.000 0.246 287 G HA3 -0.309 3.651 3.960 0.001 0.000 0.246 287 G C 0.209 175.159 174.900 0.083 0.000 0.990 287 G CA -0.427 44.727 45.100 0.090 0.000 0.627 287 G HN 0.555 nan 8.290 nan 0.000 0.522 288 F N 1.793 121.724 119.950 -0.031 0.000 2.604 288 F HA 0.429 4.956 4.527 0.001 0.000 0.393 288 F C 0.535 176.275 175.800 -0.100 0.000 1.043 288 F CA 0.976 58.914 58.000 -0.103 0.000 1.227 288 F CB 0.525 39.466 39.000 -0.098 0.000 1.016 288 F HN 0.198 nan 8.300 nan 0.000 0.556 289 K N 7.079 127.136 120.400 -0.571 0.000 2.695 289 K HA 0.411 4.731 4.320 0.001 0.000 0.255 289 K C -1.950 174.387 176.600 -0.440 0.000 1.016 289 K CA -0.361 55.745 56.287 -0.302 0.000 0.928 289 K CB 0.611 33.040 32.500 -0.118 0.000 1.235 289 K HN 0.654 nan 8.250 nan 0.000 0.467 290 L N 5.889 126.919 121.223 -0.323 0.000 2.334 290 L HA 0.623 4.964 4.340 0.001 0.000 0.277 290 L C 0.106 177.013 176.870 0.062 0.000 1.075 290 L CA -1.002 53.721 54.840 -0.196 0.000 0.804 290 L CB 0.932 42.892 42.059 -0.165 0.000 1.174 290 L HN 0.651 nan 8.230 nan 0.000 0.438 291 I N 1.039 121.692 120.570 0.138 0.000 2.608 291 I HA 0.633 4.803 4.170 0.001 0.000 0.295 291 I C -2.680 173.554 176.117 0.196 0.000 1.049 291 I CA -2.429 58.982 61.300 0.186 0.000 1.063 291 I CB 2.386 40.456 38.000 0.117 0.000 1.248 291 I HN 0.287 nan 8.210 nan 0.000 0.424 292 P HA 0.408 nan 4.420 nan 0.000 0.284 292 P C -0.934 176.389 177.300 0.038 0.000 1.253 292 P CA -0.160 62.798 63.100 -0.236 0.000 0.800 292 P CB 1.594 33.247 31.700 -0.079 0.000 0.961 293 I N -1.210 119.411 120.570 0.085 0.000 2.730 293 I HA 0.757 4.927 4.170 0.001 0.000 0.298 293 I C -0.260 176.047 176.117 0.316 0.000 1.089 293 I CA -1.672 59.751 61.300 0.206 0.000 1.041 293 I CB 2.282 40.382 38.000 0.168 0.000 1.235 293 I HN 0.228 nan 8.210 nan 0.000 0.423 294 A N 4.926 127.859 122.820 0.189 0.000 2.483 294 A HA 0.443 4.764 4.320 0.001 0.000 0.238 294 A C -2.387 175.095 177.584 -0.170 0.000 1.070 294 A CA -0.927 51.051 52.037 -0.098 0.000 0.770 294 A CB -0.866 18.030 19.000 -0.175 0.000 1.008 294 A HN 0.632 nan 8.150 nan 0.000 0.497 295 P HA 0.160 nan 4.420 nan 0.000 0.262 295 P C -2.411 174.750 177.300 -0.231 0.000 1.199 295 P CA -0.422 62.531 63.100 -0.244 0.000 0.763 295 P CB -0.082 31.487 31.700 -0.218 0.000 0.790 296 P HA -0.018 nan 4.420 nan 0.000 0.265 296 P C -0.197 177.034 177.300 -0.115 0.000 1.193 296 P CA 0.481 63.494 63.100 -0.144 0.000 0.765 296 P CB 0.078 31.613 31.700 -0.275 0.000 0.823 297 T N 3.436 117.889 114.554 -0.169 0.000 2.866 297 T HA 0.002 4.352 4.350 0.001 0.000 0.293 297 T C 0.806 175.373 174.700 -0.223 0.000 1.005 297 T CA 0.103 62.088 62.100 -0.191 0.000 1.162 297 T CB -0.576 68.194 68.868 -0.163 0.000 0.968 297 T HN 0.493 nan 8.240 nan 0.000 0.530 298 N N 1.742 120.257 118.700 -0.308 0.000 2.327 298 N HA 0.079 4.819 4.740 0.001 0.000 0.257 298 N C 1.373 176.656 175.510 -0.378 0.000 1.281 298 N CA -0.166 52.647 53.050 -0.396 0.000 0.942 298 N CB 0.120 38.251 38.487 -0.593 0.000 1.199 298 N HN 0.427 nan 8.380 nan 0.000 0.532 299 S N -1.770 113.680 115.700 -0.417 0.000 2.500 299 S HA -0.067 4.404 4.470 0.001 0.000 0.239 299 S C 0.765 175.236 174.600 -0.214 0.000 0.989 299 S CA 0.553 58.590 58.200 -0.272 0.000 0.951 299 S CB -0.301 62.791 63.200 -0.180 0.000 0.759 299 S HN 0.521 nan 8.310 nan 0.000 0.523 300 K N 0.808 121.039 120.400 -0.283 0.000 2.397 300 K HA 0.332 4.652 4.320 0.001 0.000 0.202 300 K C 1.187 177.656 176.600 -0.217 0.000 1.022 300 K CA 0.414 56.562 56.287 -0.232 0.000 1.141 300 K CB -0.150 32.187 32.500 -0.273 0.000 0.857 300 K HN 0.522 nan 8.250 nan 0.000 0.514 301 G N 1.951 110.616 108.800 -0.225 0.000 2.143 301 G HA2 -0.292 3.669 3.960 0.001 0.000 0.248 301 G HA3 -0.292 3.669 3.960 0.001 0.000 0.248 301 G C -0.340 174.452 174.900 -0.180 0.000 0.991 301 G CA 0.168 45.165 45.100 -0.173 0.000 0.689 301 G HN 0.437 nan 8.290 nan 0.000 0.522 302 Q N -0.793 118.829 119.800 -0.297 0.000 2.365 302 Q HA 0.688 5.029 4.340 0.001 0.000 0.269 302 Q C -0.097 175.725 176.000 -0.296 0.000 1.061 302 Q CA -0.955 54.689 55.803 -0.265 0.000 0.816 302 Q CB 1.860 30.377 28.738 -0.368 0.000 1.325 302 Q HN 0.296 nan 8.270 nan 0.000 0.446 303 R N 1.430 121.870 120.500 -0.100 0.000 2.198 303 R HA 0.285 4.626 4.340 0.001 0.000 0.339 303 R C -1.233 175.125 176.300 0.097 0.000 1.020 303 R CA -0.342 55.668 56.100 -0.151 0.000 0.864 303 R CB 0.686 30.794 30.300 -0.320 0.000 1.105 303 R HN 0.473 nan 8.270 nan 0.000 0.463 304 W N 1.826 123.004 121.300 -0.204 0.000 2.429 304 W HA 0.237 4.897 4.660 0.000 0.000 0.314 304 W C 0.105 176.603 176.519 -0.035 0.000 1.062 304 W CA -0.930 56.343 57.345 -0.120 0.000 1.211 304 W CB 1.440 30.800 29.460 -0.167 0.000 1.305 304 W HN 0.348 nan 8.180 nan 0.000 0.476 305 E N 2.078 122.415 120.200 0.228 0.000 2.207 305 E HA 0.109 4.459 4.350 0.001 0.000 0.250 305 E C 0.584 177.257 176.600 0.122 0.000 0.890 305 E CA -0.108 56.459 56.400 0.278 0.000 0.749 305 E CB 0.897 30.840 29.700 0.406 0.000 1.193 305 E HN 0.566 nan 8.360 nan 0.000 0.423 306 E N 2.759 123.001 120.200 0.070 0.000 2.208 306 E HA -0.092 4.259 4.350 0.001 0.000 0.193 306 E C -0.117 176.486 176.600 0.005 0.000 0.988 306 E CA 0.378 56.754 56.400 -0.040 0.000 0.828 306 E CB 0.320 29.997 29.700 -0.039 0.000 0.763 306 E HN 0.486 nan 8.360 nan 0.000 0.478 307 D N 0.145 120.583 120.400 0.065 0.000 2.313 307 D HA 0.164 4.804 4.640 0.001 0.000 0.247 307 D C -0.911 175.368 176.300 -0.035 0.000 1.094 307 D CA 0.023 54.010 54.000 -0.021 0.000 0.925 307 D CB 1.213 41.957 40.800 -0.094 0.000 1.188 307 D HN 0.105 nan 8.370 nan 0.000 0.430 308 S N 1.225 116.878 115.700 -0.079 0.000 2.588 308 S HA 0.507 4.977 4.470 0.001 0.000 0.269 308 S C -0.806 173.758 174.600 -0.060 0.000 1.157 308 S CA -1.169 57.000 58.200 -0.051 0.000 0.824 308 S CB 1.346 64.544 63.200 -0.004 0.000 1.126 308 S HN 0.379 nan 8.310 nan 0.000 0.464 309 R N 1.316 121.805 120.500 -0.017 0.000 2.347 309 R HA 0.338 4.678 4.340 0.001 0.000 0.304 309 R C -0.082 176.246 176.300 0.047 0.000 1.072 309 R CA 0.072 56.204 56.100 0.052 0.000 0.980 309 R CB 0.302 30.656 30.300 0.091 0.000 0.986 309 R HN 0.731 nan 8.270 nan 0.000 0.448 310 Q N 3.261 123.092 119.800 0.052 0.000 2.340 310 Q HA 0.057 4.398 4.340 0.001 0.000 0.249 310 Q C 0.453 176.466 176.000 0.021 0.000 0.957 310 Q CA -0.138 55.682 55.803 0.029 0.000 0.882 310 Q CB 1.193 29.940 28.738 0.016 0.000 1.235 310 Q HN 0.555 nan 8.270 nan 0.000 0.439 311 K N 0.239 120.659 120.400 0.033 0.000 2.211 311 K HA 0.009 4.329 4.320 0.001 0.000 0.203 311 K C 0.286 176.910 176.600 0.040 0.000 1.050 311 K CA 0.637 56.958 56.287 0.056 0.000 0.945 311 K CB 0.356 32.896 32.500 0.067 0.000 0.732 311 K HN 0.331 nan 8.250 nan 0.000 0.451 312 V N 0.741 120.661 119.914 0.009 0.000 2.882 312 V HA 0.231 4.352 4.120 0.001 0.000 0.295 312 V C -1.551 174.532 176.094 -0.019 0.000 1.273 312 V CA -0.945 61.348 62.300 -0.012 0.000 0.949 312 V CB 1.916 33.779 31.823 0.067 0.000 1.071 312 V HN 0.045 nan 8.190 nan 0.000 0.432 313 R N 6.145 126.583 120.500 -0.104 0.000 2.532 313 R HA 0.511 4.852 4.340 0.001 0.000 0.272 313 R C -2.101 174.289 176.300 0.150 0.000 1.032 313 R CA -1.768 54.315 56.100 -0.028 0.000 1.089 313 R CB 1.372 31.564 30.300 -0.180 0.000 1.098 313 R HN 0.583 nan 8.270 nan 0.000 0.526 314 P HA 0.085 nan 4.420 nan 0.000 0.235 314 P C -1.232 176.165 177.300 0.161 0.000 1.725 314 P CA 0.234 63.451 63.100 0.196 0.000 0.894 314 P CB 0.207 31.992 31.700 0.143 0.000 1.704 315 D N -0.491 120.076 120.400 0.279 0.000 2.477 315 D HA 0.712 5.352 4.640 0.001 0.000 0.234 315 D C 0.840 177.397 176.300 0.428 0.000 1.048 315 D CA -0.292 53.879 54.000 0.284 0.000 0.959 315 D CB 2.214 43.204 40.800 0.317 0.000 1.408 315 D HN 0.180 nan 8.370 nan 0.000 0.496 316 G N -0.827 108.191 108.800 0.363 0.000 2.356 316 G HA2 0.349 4.309 3.960 0.001 0.000 0.266 316 G HA3 0.349 4.309 3.960 0.001 0.000 0.266 316 G C -2.171 172.924 174.900 0.325 0.000 1.312 316 G CA -0.605 44.670 45.100 0.292 0.000 0.922 316 G HN 0.446 nan 8.290 nan 0.000 0.480 317 W N -0.742 120.562 121.300 0.008 0.000 3.083 317 W HA 0.978 5.638 4.660 0.001 0.000 0.333 317 W C -0.201 176.103 176.519 -0.358 0.000 1.217 317 W CA -2.136 55.120 57.345 -0.148 0.000 1.170 317 W CB 0.952 30.322 29.460 -0.149 0.000 1.437 317 W HN 1.657 nan 8.180 nan 0.000 0.557 318 A N 1.710 124.475 122.820 -0.091 0.000 2.479 318 A HA 0.883 5.204 4.320 0.001 0.000 0.296 318 A C -1.489 176.219 177.584 0.208 0.000 1.121 318 A CA -1.122 50.834 52.037 -0.136 0.000 0.743 318 A CB 1.350 19.797 19.000 -0.922 0.000 1.323 318 A HN 0.655 nan 8.150 nan 0.000 0.415 319 I N 1.898 122.621 120.570 0.255 0.000 2.321 319 I HA 0.314 4.485 4.170 0.001 0.000 0.291 319 I C 0.899 177.235 176.117 0.365 0.000 0.998 319 I CA -0.388 61.039 61.300 0.212 0.000 1.227 319 I CB 1.815 39.852 38.000 0.062 0.000 1.368 319 I HN 0.832 nan 8.210 nan 0.000 0.466 320 T N 2.261 117.003 114.554 0.314 0.000 2.828 320 T HA 0.156 4.506 4.350 0.001 0.000 0.290 320 T C 1.321 176.088 174.700 0.112 0.000 1.019 320 T CA -0.689 61.555 62.100 0.239 0.000 1.031 320 T CB 1.609 70.540 68.868 0.105 0.000 1.001 320 T HN 0.456 nan 8.240 nan 0.000 0.531 321 V N -0.987 118.955 119.914 0.048 0.000 3.078 321 V HA 0.063 4.183 4.120 0.001 0.000 0.265 321 V C 1.793 177.891 176.094 0.006 0.000 1.122 321 V CA 0.763 63.082 62.300 0.033 0.000 1.141 321 V CB -1.053 30.777 31.823 0.011 0.000 0.735 321 V HN 0.706 nan 8.190 nan 0.000 0.498 322 K N 0.917 121.311 120.400 -0.009 0.000 2.426 322 K HA 0.181 4.502 4.320 0.001 0.000 0.193 322 K C 0.745 177.330 176.600 -0.026 0.000 1.028 322 K CA -0.070 56.204 56.287 -0.022 0.000 1.047 322 K CB -0.539 31.941 32.500 -0.033 0.000 0.821 322 K HN 0.537 nan 8.250 nan 0.000 0.513 323 N N 2.410 121.099 118.700 -0.020 0.000 2.416 323 N HA -0.008 4.732 4.740 0.001 0.000 0.265 323 N C 0.210 175.687 175.510 -0.054 0.000 1.195 323 N CA 0.324 53.346 53.050 -0.047 0.000 0.943 323 N CB 0.650 39.105 38.487 -0.053 0.000 1.115 323 N HN 0.007 nan 8.380 nan 0.000 0.481 324 K N 2.123 122.484 120.400 -0.065 0.000 2.487 324 K HA 0.116 4.437 4.320 0.001 0.000 0.192 324 K C -0.161 176.391 176.600 -0.080 0.000 1.027 324 K CA 0.406 56.656 56.287 -0.061 0.000 1.054 324 K CB 0.356 32.822 32.500 -0.056 0.000 0.824 324 K HN 0.446 nan 8.250 nan 0.000 0.510 325 N N 1.342 119.979 118.700 -0.106 0.000 2.757 325 N HA 0.086 4.827 4.740 0.001 0.000 0.296 325 N C -2.267 173.144 175.510 -0.164 0.000 1.874 325 N CA -0.945 52.025 53.050 -0.134 0.000 0.885 325 N CB 1.285 39.682 38.487 -0.150 0.000 1.242 325 N HN 0.016 nan 8.380 nan 0.000 0.488 326 P HA -0.099 nan 4.420 nan 0.000 0.217 326 P C 1.553 178.738 177.300 -0.193 0.000 1.150 326 P CA 0.790 63.801 63.100 -0.147 0.000 0.832 326 P CB 0.652 32.307 31.700 -0.075 0.000 0.787 327 V N 0.782 120.558 119.914 -0.231 0.000 2.307 327 V HA -0.207 3.914 4.120 0.001 0.000 0.245 327 V C 2.568 178.478 176.094 -0.307 0.000 1.045 327 V CA 2.156 64.225 62.300 -0.385 0.000 1.024 327 V CB -1.442 30.020 31.823 -0.601 0.000 0.651 327 V HN 0.065 nan 8.190 nan 0.000 0.449 328 E N 0.160 120.216 120.200 -0.241 0.000 2.110 328 E HA -0.152 4.198 4.350 0.001 0.000 0.193 328 E C 2.271 178.772 176.600 -0.166 0.000 0.988 328 E CA 1.738 58.034 56.400 -0.173 0.000 0.804 328 E CB -0.556 29.046 29.700 -0.163 0.000 0.745 328 E HN 0.581 nan 8.360 nan 0.000 0.458 329 T N 0.633 115.028 114.554 -0.264 0.000 2.777 329 T HA -0.115 4.235 4.350 0.001 0.000 0.266 329 T C 1.822 176.201 174.700 -0.534 0.000 1.040 329 T CA 0.869 62.713 62.100 -0.427 0.000 1.141 329 T CB -0.221 68.320 68.868 -0.546 0.000 0.868 329 T HN 0.057 nan 8.240 nan 0.000 0.444 330 I N 1.061 121.416 120.570 -0.359 0.000 2.394 330 I HA -0.048 4.123 4.170 0.001 0.000 0.251 330 I C 2.054 178.202 176.117 0.052 0.000 1.136 330 I CA 1.343 62.535 61.300 -0.180 0.000 1.425 330 I CB -0.201 37.784 38.000 -0.025 0.000 1.079 330 I HN 0.080 nan 8.210 nan 0.000 0.425 331 K N -0.720 119.711 120.400 0.052 0.000 2.097 331 K HA -0.180 4.141 4.320 0.001 0.000 0.205 331 K C 2.149 178.903 176.600 0.257 0.000 1.050 331 K CA 1.631 58.015 56.287 0.161 0.000 0.938 331 K CB -0.362 32.202 32.500 0.106 0.000 0.718 331 K HN 0.340 nan 8.250 nan 0.000 0.442 332 F N 0.855 120.847 119.950 0.070 0.000 2.146 332 F HA -0.144 4.384 4.527 0.001 0.000 0.298 332 F C 1.764 177.889 175.800 0.541 0.000 1.096 332 F CA 1.336 59.449 58.000 0.189 0.000 1.275 332 F CB -0.140 38.875 39.000 0.025 0.000 1.008 332 F HN -0.067 nan 8.300 nan 0.000 0.480 333 F N 0.440 120.523 119.950 0.221 0.000 2.171 333 F HA -0.249 4.279 4.527 0.001 0.000 0.300 333 F C 2.265 178.298 175.800 0.387 0.000 1.090 333 F CA 0.939 59.125 58.000 0.311 0.000 1.293 333 F CB -0.514 38.608 39.000 0.203 0.000 1.013 333 F HN 0.078 nan 8.300 nan 0.000 0.486 334 D N 0.402 121.082 120.400 0.468 0.000 2.178 334 D HA -0.251 4.389 4.640 0.001 0.000 0.201 334 D C 1.923 178.427 176.300 0.340 0.000 0.980 334 D CA 0.853 55.077 54.000 0.372 0.000 0.842 334 D CB -0.328 40.673 40.800 0.335 0.000 0.948 334 D HN 0.207 nan 8.370 nan 0.000 0.472 335 F N 0.105 120.117 119.950 0.103 0.000 2.154 335 F HA -0.239 4.289 4.527 0.001 0.000 0.301 335 F C 1.306 177.000 175.800 -0.176 0.000 1.087 335 F CA 1.392 59.316 58.000 -0.125 0.000 1.274 335 F CB -0.629 38.203 39.000 -0.280 0.000 1.009 335 F HN 0.064 nan 8.300 nan 0.000 0.485 336 Y N -1.829 118.509 120.300 0.064 0.000 2.632 336 Y HA -0.033 4.517 4.550 0.001 0.000 0.301 336 Y C 0.978 176.844 175.900 -0.056 0.000 1.172 336 Y CA 0.379 58.453 58.100 -0.045 0.000 1.328 336 Y CB -0.485 38.071 38.460 0.160 0.000 1.016 336 Y HN 0.037 nan 8.280 nan 0.000 0.529 337 F N -1.378 118.586 119.950 0.022 0.000 2.688 337 F HA 0.185 4.712 4.527 0.001 0.000 0.310 337 F C 0.937 176.775 175.800 0.063 0.000 1.098 337 F CA -0.760 57.314 58.000 0.123 0.000 1.228 337 F CB 0.095 39.141 39.000 0.077 0.000 1.042 337 F HN -0.213 nan 8.300 nan 0.000 0.557 338 S N -1.103 114.484 115.700 -0.188 0.000 2.651 338 S HA 0.457 4.927 4.470 0.001 0.000 0.291 338 S C 1.196 175.613 174.600 -0.306 0.000 1.141 338 S CA -0.661 57.263 58.200 -0.460 0.000 1.027 338 S CB 2.221 64.871 63.200 -0.916 0.000 1.043 338 S HN 0.095 nan 8.310 nan 0.000 0.530 339 R N 1.532 121.916 120.500 -0.193 0.000 2.083 339 R HA 0.062 4.402 4.340 0.001 0.000 0.237 339 R C -1.171 174.993 176.300 -0.225 0.000 1.137 339 R CA 1.740 57.731 56.100 -0.181 0.000 0.951 339 R CB -2.014 28.226 30.300 -0.100 0.000 0.851 339 R HN 0.598 nan 8.270 nan 0.000 0.434 340 P HA -0.036 nan 4.420 nan 0.000 0.215 340 P C 0.989 178.034 177.300 -0.424 0.000 1.153 340 P CA 1.929 64.928 63.100 -0.169 0.000 0.853 340 P CB -0.303 31.408 31.700 0.017 0.000 0.788 341 G N -0.350 107.835 108.800 -1.025 0.000 2.403 341 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 341 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 341 G C 1.606 176.135 174.900 -0.617 0.000 1.154 341 G CA 0.254 44.381 45.100 -1.622 0.000 0.784 341 G HN 0.206 nan 8.290 nan 0.000 0.538 342 R N 0.218 120.482 120.500 -0.393 0.000 2.148 342 R HA -0.013 4.327 4.340 0.001 0.000 0.227 342 R C 2.008 178.243 176.300 -0.109 0.000 1.103 342 R CA 1.121 57.110 56.100 -0.185 0.000 0.983 342 R CB -0.140 30.024 30.300 -0.227 0.000 0.874 342 R HN 0.212 nan 8.270 nan 0.000 0.451 343 D N 0.913 121.219 120.400 -0.156 0.000 2.084 343 D HA -0.159 4.481 4.640 0.001 0.000 0.194 343 D C 1.892 178.140 176.300 -0.087 0.000 0.990 343 D CA 1.429 55.340 54.000 -0.148 0.000 0.826 343 D CB -0.180 40.516 40.800 -0.173 0.000 0.971 343 D HN 0.325 nan 8.370 nan 0.000 0.453 344 I N -0.480 120.082 120.570 -0.013 0.000 2.353 344 I HA -0.154 4.017 4.170 0.001 0.000 0.248 344 I C 2.037 178.143 176.117 -0.019 0.000 1.119 344 I CA 1.453 62.800 61.300 0.078 0.000 1.417 344 I CB -0.491 37.620 38.000 0.186 0.000 1.078 344 I HN -0.113 nan 8.210 nan 0.000 0.421 345 S N 0.585 116.249 115.700 -0.060 0.000 2.481 345 S HA -0.008 4.463 4.470 0.001 0.000 0.231 345 S C 1.598 175.954 174.600 -0.407 0.000 0.996 345 S CA 0.818 58.868 58.200 -0.250 0.000 0.942 345 S CB -0.588 62.488 63.200 -0.207 0.000 0.768 345 S HN 0.584 nan 8.310 nan 0.000 0.520 346 N N -0.213 118.330 118.700 -0.261 0.000 2.463 346 N HA 0.270 5.011 4.740 0.001 0.000 0.183 346 N C 0.295 175.423 175.510 -0.636 0.000 1.064 346 N CA 0.649 53.404 53.050 -0.492 0.000 0.879 346 N CB 0.141 38.368 38.487 -0.435 0.000 1.148 346 N HN 0.458 nan 8.380 nan 0.000 0.451 347 F N 0.177 119.916 119.950 -0.351 0.000 2.724 347 F HA 0.367 4.894 4.527 0.001 0.000 0.306 347 F C 1.648 177.441 175.800 -0.012 0.000 1.100 347 F CA 0.304 58.100 58.000 -0.340 0.000 1.255 347 F CB 0.667 38.977 39.000 -1.150 0.000 1.072 347 F HN 0.029 nan 8.300 nan 0.000 0.589 348 G N 0.442 109.322 108.800 0.134 0.000 2.846 348 G HA2 -0.119 3.841 3.960 0.001 0.000 0.225 348 G HA3 -0.119 3.841 3.960 0.001 0.000 0.225 348 G C -1.100 174.012 174.900 0.353 0.000 1.285 348 G CA -0.431 44.786 45.100 0.196 0.000 1.055 348 G HN 0.027 nan 8.290 nan 0.000 0.579 349 V N 3.342 123.456 119.914 0.333 0.000 2.588 349 V HA 0.621 4.741 4.120 0.001 0.000 0.304 349 V C -2.020 173.943 176.094 -0.219 0.000 1.042 349 V CA -1.009 61.383 62.300 0.152 0.000 0.877 349 V CB 2.213 34.075 31.823 0.065 0.000 0.996 349 V HN 0.706 nan 8.190 nan 0.000 0.425 350 P HA 0.169 nan 4.420 nan 0.000 0.268 350 P C 0.878 177.945 177.300 -0.390 0.000 1.204 350 P CA 1.259 63.828 63.100 -0.884 0.000 0.768 350 P CB 1.049 32.372 31.700 -0.628 0.000 0.842 351 G N 1.514 110.114 108.800 -0.332 0.000 2.179 351 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 351 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 351 G C 0.534 175.373 174.900 -0.102 0.000 0.977 351 G CA 0.295 45.295 45.100 -0.165 0.000 0.641 351 G HN 0.425 nan 8.290 nan 0.000 0.533 352 V N -0.091 119.763 119.914 -0.101 0.000 2.950 352 V HA 0.193 4.313 4.120 0.001 0.000 0.231 352 V C 2.416 178.525 176.094 0.026 0.000 1.205 352 V CA 2.533 64.817 62.300 -0.027 0.000 1.239 352 V CB 0.270 32.087 31.823 -0.009 0.000 1.050 352 V HN 0.715 nan 8.190 nan 0.000 0.498 353 T N -1.658 112.950 114.554 0.091 0.000 2.969 353 T HA 0.278 4.629 4.350 0.001 0.000 0.250 353 T C 0.138 175.081 174.700 0.406 0.000 1.021 353 T CA 0.405 62.649 62.100 0.241 0.000 1.003 353 T CB 0.155 69.215 68.868 0.320 0.000 1.040 353 T HN 0.514 nan 8.240 nan 0.000 0.492 354 Y N -0.476 119.886 120.300 0.104 0.000 2.670 354 Y HA 0.804 5.355 4.550 0.001 0.000 0.334 354 Y C -2.172 173.698 175.900 -0.051 0.000 1.185 354 Y CA -1.687 56.421 58.100 0.013 0.000 1.053 354 Y CB 0.971 39.346 38.460 -0.141 0.000 1.298 354 Y HN -0.139 nan 8.280 nan 0.000 0.459 355 D N 1.182 121.557 120.400 -0.041 0.000 2.645 355 D HA 0.371 5.011 4.640 0.001 0.000 0.228 355 D C -1.297 174.988 176.300 -0.024 0.000 1.148 355 D CA -0.315 53.601 54.000 -0.139 0.000 0.860 355 D CB 3.177 43.928 40.800 -0.082 0.000 1.548 355 D HN 0.471 nan 8.370 nan 0.000 0.460 356 I N 1.369 121.904 120.570 -0.057 0.000 2.371 356 I HA 0.152 4.323 4.170 0.001 0.000 0.290 356 I C 0.335 176.421 176.117 -0.053 0.000 1.028 356 I CA 0.213 61.486 61.300 -0.044 0.000 1.345 356 I CB 0.346 38.320 38.000 -0.043 0.000 1.407 356 I HN -0.001 nan 8.210 nan 0.000 0.501 357 K N 5.070 125.435 120.400 -0.060 0.000 2.471 357 K HA 0.421 4.742 4.320 0.001 0.000 0.252 357 K C -0.205 176.366 176.600 -0.049 0.000 0.938 357 K CA -0.774 55.485 56.287 -0.046 0.000 0.796 357 K CB 1.364 33.843 32.500 -0.035 0.000 1.161 357 K HN 0.540 nan 8.250 nan 0.000 0.425 358 N N 1.434 120.112 118.700 -0.037 0.000 2.708 358 N HA -0.268 4.472 4.740 0.001 0.000 0.249 358 N C 0.457 175.941 175.510 -0.043 0.000 1.097 358 N CA 0.351 53.381 53.050 -0.034 0.000 0.710 358 N CB -0.692 37.778 38.487 -0.028 0.000 1.032 358 N HN 1.105 nan 8.380 nan 0.000 0.551 359 G N -0.793 107.978 108.800 -0.049 0.000 2.162 359 G HA2 -0.350 3.610 3.960 0.001 0.000 0.260 359 G HA3 -0.350 3.610 3.960 0.001 0.000 0.260 359 G C -0.099 174.748 174.900 -0.087 0.000 0.976 359 G CA 1.055 46.121 45.100 -0.057 0.000 0.655 359 G HN 0.500 nan 8.290 nan 0.000 0.533 360 K N -0.349 119.983 120.400 -0.112 0.000 2.443 360 K HA 0.746 5.066 4.320 0.001 0.000 0.251 360 K C 0.067 176.506 176.600 -0.268 0.000 0.972 360 K CA -0.418 55.758 56.287 -0.186 0.000 0.833 360 K CB 2.116 34.523 32.500 -0.156 0.000 1.317 360 K HN 0.584 nan 8.250 nan 0.000 0.441 361 A N 1.520 124.020 122.820 -0.533 0.000 2.454 361 A HA 0.365 4.685 4.320 0.001 0.000 0.260 361 A C -0.361 176.818 177.584 -0.675 0.000 1.106 361 A CA -0.161 51.387 52.037 -0.814 0.000 0.780 361 A CB -0.019 17.751 19.000 -2.051 0.000 1.044 361 A HN 0.348 nan 8.150 nan 0.000 0.498 362 V N 4.040 123.772 119.914 -0.303 0.000 2.483 362 V HA 0.295 4.416 4.120 0.001 0.000 0.297 362 V C -0.352 175.753 176.094 0.018 0.000 1.027 362 V CA -0.430 61.798 62.300 -0.121 0.000 0.855 362 V CB 1.172 32.978 31.823 -0.028 0.000 0.995 362 V HN 0.793 nan 8.190 nan 0.000 0.424 363 F N 3.020 123.090 119.950 0.199 0.000 2.563 363 F HA 0.214 4.741 4.527 0.001 0.000 0.363 363 F C 1.225 177.088 175.800 0.105 0.000 1.123 363 F CA 0.057 58.173 58.000 0.193 0.000 1.307 363 F CB 0.590 39.690 39.000 0.167 0.000 1.115 363 F HN 0.369 nan 8.300 nan 0.000 0.592 364 K N 2.092 122.677 120.400 0.309 0.000 2.219 364 K HA -0.019 4.301 4.320 0.001 0.000 0.258 364 K C 0.602 177.270 176.600 0.113 0.000 1.008 364 K CA -0.518 55.860 56.287 0.152 0.000 0.928 364 K CB 0.483 33.043 32.500 0.100 0.000 0.983 364 K HN 0.571 nan 8.250 nan 0.000 0.484 365 D N 0.745 121.184 120.400 0.066 0.000 2.149 365 D HA -0.173 4.468 4.640 0.001 0.000 0.198 365 D C 1.912 178.217 176.300 0.009 0.000 0.990 365 D CA 1.824 55.847 54.000 0.039 0.000 0.839 365 D CB -0.163 40.652 40.800 0.025 0.000 0.948 365 D HN 0.592 nan 8.370 nan 0.000 0.460 366 S N 0.373 116.074 115.700 0.003 0.000 2.370 366 S HA -0.148 4.322 4.470 0.001 0.000 0.226 366 S C 2.282 176.846 174.600 -0.060 0.000 1.033 366 S CA 1.182 59.367 58.200 -0.025 0.000 1.011 366 S CB -0.759 62.429 63.200 -0.020 0.000 0.852 366 S HN 0.108 nan 8.310 nan 0.000 0.457 367 V N 2.129 122.007 119.914 -0.059 0.000 2.358 367 V HA -0.035 4.085 4.120 0.001 0.000 0.246 367 V C 2.497 178.462 176.094 -0.214 0.000 1.047 367 V CA 1.636 63.840 62.300 -0.160 0.000 1.035 367 V CB -0.811 30.914 31.823 -0.162 0.000 0.658 367 V HN 0.484 nan 8.190 nan 0.000 0.452 368 L N -0.642 120.513 121.223 -0.112 0.000 2.376 368 L HA -0.069 4.272 4.340 0.001 0.000 0.219 368 L C 2.215 179.041 176.870 -0.074 0.000 1.133 368 L CA 1.252 56.042 54.840 -0.083 0.000 0.816 368 L CB -0.431 41.640 42.059 0.021 0.000 0.933 368 L HN 0.301 nan 8.230 nan 0.000 0.449 369 K N -0.824 119.532 120.400 -0.072 0.000 2.361 369 K HA 0.080 4.401 4.320 0.001 0.000 0.194 369 K C 0.993 177.537 176.600 -0.094 0.000 1.032 369 K CA -0.124 56.124 56.287 -0.064 0.000 1.048 369 K CB 0.544 33.020 32.500 -0.040 0.000 0.842 369 K HN 0.033 nan 8.250 nan 0.000 0.526 370 S N 2.245 117.867 115.700 -0.130 0.000 2.568 370 S HA 0.054 4.525 4.470 0.001 0.000 0.282 370 S C -1.427 173.068 174.600 -0.176 0.000 1.338 370 S CA -1.253 56.858 58.200 -0.149 0.000 1.045 370 S CB 0.629 63.720 63.200 -0.182 0.000 0.873 370 S HN 0.068 nan 8.310 nan 0.000 0.516 371 P HA -0.012 nan 4.420 nan 0.000 0.241 371 P C -0.017 177.123 177.300 -0.266 0.000 1.191 371 P CA 0.380 63.363 63.100 -0.195 0.000 0.771 371 P CB 0.084 31.696 31.700 -0.146 0.000 0.929 372 Q N 1.352 120.998 119.800 -0.256 0.000 2.256 372 Q HA 0.329 4.669 4.340 0.001 0.000 0.254 372 Q C -2.452 173.315 176.000 -0.389 0.000 0.916 372 Q CA -2.551 53.080 55.803 -0.288 0.000 0.932 372 Q CB 1.096 29.699 28.738 -0.226 0.000 1.207 372 Q HN -0.013 nan 8.270 nan 0.000 0.426 373 P HA -0.122 nan 4.420 nan 0.000 0.264 373 P C 0.419 177.211 177.300 -0.847 0.000 1.183 373 P CA 0.048 62.815 63.100 -0.554 0.000 0.763 373 P CB 0.713 32.200 31.700 -0.356 0.000 0.807 374 V N 2.871 121.934 119.914 -1.419 0.000 2.324 374 V HA -0.302 3.818 4.120 0.001 0.000 0.250 374 V C 2.137 177.530 176.094 -1.168 0.000 1.060 374 V CA 2.474 63.874 62.300 -1.501 0.000 1.042 374 V CB -1.227 29.216 31.823 -2.300 0.000 0.650 374 V HN 0.681 nan 8.190 nan 0.000 0.450 375 N N 0.793 118.796 118.700 -1.162 0.000 2.166 375 N HA -0.192 4.549 4.740 0.001 0.000 0.186 375 N C 1.440 176.178 175.510 -1.286 0.000 1.019 375 N CA 1.806 54.356 53.050 -0.834 0.000 0.856 375 N CB -0.972 37.279 38.487 -0.393 0.000 0.993 375 N HN 0.469 nan 8.380 nan 0.000 0.426 376 N N 0.865 119.027 118.700 -0.896 0.000 2.166 376 N HA -0.101 4.640 4.740 0.001 0.000 0.186 376 N C 1.634 176.874 175.510 -0.450 0.000 1.019 376 N CA 0.946 53.646 53.050 -0.583 0.000 0.856 376 N CB -0.163 38.184 38.487 -0.234 0.000 0.993 376 N HN 0.547 nan 8.380 nan 0.000 0.426 377 Q N 0.495 120.004 119.800 -0.485 0.000 2.084 377 Q HA -0.037 4.303 4.340 0.001 0.000 0.202 377 Q C 2.210 177.992 176.000 -0.362 0.000 0.978 377 Q CA 0.923 56.506 55.803 -0.368 0.000 0.844 377 Q CB -0.076 28.417 28.738 -0.409 0.000 0.898 377 Q HN 0.368 nan 8.270 nan 0.000 0.426 378 L N -0.694 120.236 121.223 -0.488 0.000 2.109 378 L HA -0.164 4.176 4.340 0.001 0.000 0.207 378 L C 2.109 178.717 176.870 -0.437 0.000 1.086 378 L CA 0.712 55.291 54.840 -0.436 0.000 0.760 378 L CB -0.461 41.325 42.059 -0.455 0.000 0.910 378 L HN 0.229 nan 8.230 nan 0.000 0.437 379 Y N 0.349 120.369 120.300 -0.466 0.000 2.165 379 Y HA -0.273 4.278 4.550 0.001 0.000 0.286 379 Y C 2.377 177.922 175.900 -0.591 0.000 1.155 379 Y CA 0.741 58.471 58.100 -0.618 0.000 1.164 379 Y CB -1.065 37.005 38.460 -0.650 0.000 0.978 379 Y HN 0.228 nan 8.280 nan 0.000 0.513 380 D N -0.126 120.177 120.400 -0.162 0.000 2.311 380 D HA -0.149 4.491 4.640 0.001 0.000 0.212 380 D C 1.748 177.970 176.300 -0.130 0.000 0.972 380 D CA 1.550 55.532 54.000 -0.029 0.000 0.887 380 D CB -0.364 40.449 40.800 0.022 0.000 0.915 380 D HN 0.583 nan 8.370 nan 0.000 0.497 381 M N -4.160 115.190 119.600 -0.417 0.000 2.347 381 M HA 0.430 4.911 4.480 0.001 0.000 0.302 381 M C 0.914 176.602 176.300 -1.020 0.000 1.051 381 M CA 0.237 55.256 55.300 -0.469 0.000 0.988 381 M CB 1.270 33.739 32.600 -0.218 0.000 1.475 381 M HN -0.092 nan 8.290 nan 0.000 0.530 382 G N 1.020 108.757 108.800 -1.772 0.000 2.131 382 G HA2 -0.050 3.910 3.960 0.001 0.000 0.223 382 G HA3 -0.050 3.910 3.960 0.001 0.000 0.223 382 G C -0.076 174.193 174.900 -1.050 0.000 0.990 382 G CA -0.016 43.834 45.100 -2.083 0.000 0.671 382 G HN 0.955 nan 8.290 nan 0.000 0.521 383 A N -0.778 121.581 122.820 -0.768 0.000 2.322 383 A HA 0.791 5.111 4.320 0.001 0.000 0.327 383 A C 1.017 178.242 177.584 -0.598 0.000 1.134 383 A CA 0.605 52.278 52.037 -0.606 0.000 0.831 383 A CB 0.696 19.442 19.000 -0.424 0.000 1.288 383 A HN 1.096 nan 8.150 nan 0.000 0.472 384 Q N -1.257 118.126 119.800 -0.695 0.000 2.475 384 Q HA -0.203 4.137 4.340 0.001 0.000 0.280 384 Q C -0.131 175.566 176.000 -0.505 0.000 1.234 384 Q CA 1.539 57.018 55.803 -0.541 0.000 0.873 384 Q CB -2.153 26.379 28.738 -0.343 0.000 1.256 384 Q HN 0.892 nan 8.270 nan 0.000 0.475 385 I N -2.973 117.097 120.570 -0.833 0.000 2.577 385 I HA 0.485 4.656 4.170 0.001 0.000 0.305 385 I C -1.542 174.029 176.117 -0.910 0.000 0.986 385 I CA -2.701 58.068 61.300 -0.885 0.000 1.189 385 I CB 1.381 38.811 38.000 -0.950 0.000 1.355 385 I HN -0.251 nan 8.210 nan 0.000 0.476 386 P HA 0.107 nan 4.420 nan 0.000 0.262 386 P C 0.033 177.054 177.300 -0.466 0.000 1.647 386 P CA 0.149 62.932 63.100 -0.527 0.000 0.865 386 P CB -0.689 30.848 31.700 -0.271 0.000 1.834 387 I N -3.362 116.793 120.570 -0.692 0.000 3.502 387 I HA 0.669 4.840 4.170 0.001 0.000 0.302 387 I C 0.552 176.132 176.117 -0.895 0.000 1.170 387 I CA -1.293 59.333 61.300 -1.123 0.000 0.953 387 I CB 0.415 37.358 38.000 -1.762 0.000 1.475 387 I HN -0.145 nan 8.210 nan 0.000 0.657 388 G N 1.950 109.826 108.800 -1.540 0.000 2.365 388 G HA2 0.491 4.452 3.960 0.001 0.000 0.293 388 G HA3 0.491 4.452 3.960 0.001 0.000 0.293 388 G C -0.910 173.939 174.900 -0.084 0.000 1.128 388 G CA -0.162 44.653 45.100 -0.475 0.000 0.971 388 G HN 0.691 nan 8.290 nan 0.000 0.422 389 F N 1.028 120.815 119.950 -0.271 0.000 2.741 389 F HA 0.665 5.193 4.527 0.001 0.000 0.311 389 F C -2.183 173.221 175.800 -0.659 0.000 1.149 389 F CA -2.901 54.823 58.000 -0.460 0.000 0.930 389 F CB 1.077 39.845 39.000 -0.387 0.000 1.312 389 F HN 0.358 nan 8.300 nan 0.000 0.450 390 W N 5.088 125.584 121.300 -1.341 0.000 2.283 390 W HA 0.469 5.130 4.660 0.000 0.000 0.317 390 W C -0.315 175.752 176.519 -0.753 0.000 1.042 390 W CA -1.103 55.523 57.345 -1.199 0.000 1.348 390 W CB 1.081 29.823 29.460 -1.197 0.000 1.216 390 W HN 0.919 nan 8.180 nan 0.000 0.404 391 Q N 3.165 122.688 119.800 -0.463 0.000 2.421 391 Q HA -0.015 4.326 4.340 0.001 0.000 0.255 391 Q C -0.696 175.233 176.000 -0.117 0.000 1.013 391 Q CA 0.647 56.298 55.803 -0.254 0.000 0.895 391 Q CB 0.776 29.475 28.738 -0.065 0.000 1.271 391 Q HN 0.361 nan 8.270 nan 0.000 0.460 392 D N 2.205 122.576 120.400 -0.049 0.000 2.462 392 D HA 0.035 4.676 4.640 0.001 0.000 0.245 392 D C -0.283 176.116 176.300 0.165 0.000 1.122 392 D CA -0.355 53.635 54.000 -0.018 0.000 0.864 392 D CB 0.530 41.321 40.800 -0.015 0.000 1.098 392 D HN 0.667 nan 8.370 nan 0.000 0.541 393 Y N 3.086 123.432 120.300 0.077 0.000 2.384 393 Y HA -0.185 4.366 4.550 0.001 0.000 0.289 393 Y C 1.530 177.450 175.900 0.033 0.000 1.152 393 Y CA 1.654 59.800 58.100 0.078 0.000 1.258 393 Y CB 0.290 38.774 38.460 0.039 0.000 0.979 393 Y HN 0.430 nan 8.280 nan 0.000 0.549 394 D N -0.944 119.479 120.400 0.037 0.000 2.263 394 D HA -0.249 4.392 4.640 0.001 0.000 0.208 394 D C 1.916 178.216 176.300 0.000 0.000 0.971 394 D CA 1.339 55.343 54.000 0.006 0.000 0.867 394 D CB -0.398 40.479 40.800 0.129 0.000 0.929 394 D HN 0.629 nan 8.370 nan 0.000 0.492 395 Y N 0.304 120.502 120.300 -0.169 0.000 2.200 395 Y HA -0.036 4.514 4.550 0.001 0.000 0.290 395 Y C 2.003 177.938 175.900 0.059 0.000 1.137 395 Y CA 1.571 59.490 58.100 -0.302 0.000 1.163 395 Y CB -0.524 37.434 38.460 -0.837 0.000 0.988 395 Y HN -0.011 nan 8.280 nan 0.000 0.518 396 E N 0.602 120.085 120.200 -1.194 0.000 2.112 396 E HA -0.176 4.174 4.350 0.001 0.000 0.190 396 E C 2.460 178.323 176.600 -1.228 0.000 0.979 396 E CA 0.634 56.086 56.400 -1.579 0.000 0.814 396 E CB -0.185 28.683 29.700 -1.387 0.000 0.762 396 E HN 0.537 nan 8.360 nan 0.000 0.460 397 R N 0.561 120.483 120.500 -0.964 0.000 2.105 397 R HA -0.197 4.143 4.340 0.001 0.000 0.239 397 R C 2.175 178.309 176.300 -0.277 0.000 1.135 397 R CA 1.892 57.669 56.100 -0.539 0.000 0.967 397 R CB -0.047 30.084 30.300 -0.281 0.000 0.861 397 R HN 0.256 nan 8.270 nan 0.000 0.442 398 Q N -0.505 119.222 119.800 -0.122 0.000 2.226 398 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 398 Q C 0.904 176.988 176.000 0.139 0.000 0.975 398 Q CA 1.451 57.319 55.803 0.107 0.000 0.866 398 Q CB -0.026 28.930 28.738 0.364 0.000 0.915 398 Q HN 0.666 nan 8.270 nan 0.000 0.440 399 W N -0.897 120.316 121.300 -0.145 0.000 2.818 399 W HA 0.388 5.049 4.660 0.001 0.000 0.403 399 W C -0.784 175.650 176.519 -0.142 0.000 0.991 399 W CA -0.498 56.748 57.345 -0.165 0.000 1.925 399 W CB -0.365 28.938 29.460 -0.263 0.000 1.166 399 W HN -0.300 nan 8.180 nan 0.000 0.605 400 T N 3.353 117.709 114.554 -0.331 0.000 2.727 400 T HA 0.206 4.557 4.350 0.001 0.000 0.298 400 T C 0.899 175.551 174.700 -0.081 0.000 0.942 400 T CA 0.278 62.210 62.100 -0.280 0.000 0.997 400 T CB 1.383 70.064 68.868 -0.313 0.000 0.917 400 T HN 0.139 nan 8.240 nan 0.000 0.487 401 T N 2.632 117.179 114.554 -0.011 0.000 2.795 401 T HA 0.140 4.491 4.350 0.001 0.000 0.314 401 T C -1.662 173.060 174.700 0.037 0.000 1.069 401 T CA -1.385 60.733 62.100 0.029 0.000 1.071 401 T CB 0.425 69.325 68.868 0.054 0.000 0.988 401 T HN 0.126 nan 8.240 nan 0.000 0.543 402 P HA -0.045 nan 4.420 nan 0.000 0.216 402 P C 1.291 178.631 177.300 0.067 0.000 1.150 402 P CA 1.008 64.135 63.100 0.046 0.000 0.837 402 P CB 0.043 31.769 31.700 0.043 0.000 0.786 403 E N -0.407 119.844 120.200 0.085 0.000 2.072 403 E HA -0.113 4.238 4.350 0.001 0.000 0.191 403 E C 2.124 178.823 176.600 0.165 0.000 0.985 403 E CA 1.433 57.904 56.400 0.118 0.000 0.801 403 E CB -1.076 28.698 29.700 0.123 0.000 0.750 403 E HN 0.134 nan 8.360 nan 0.000 0.452 404 A N 0.682 123.602 122.820 0.166 0.000 1.902 404 A HA -0.257 4.064 4.320 0.001 0.000 0.217 404 A C 2.202 179.880 177.584 0.157 0.000 1.181 404 A CA 1.723 53.905 52.037 0.242 0.000 0.623 404 A CB -0.529 18.576 19.000 0.176 0.000 0.818 404 A HN 0.179 nan 8.150 nan 0.000 0.443 405 Q N -0.065 119.776 119.800 0.068 0.000 2.124 405 Q HA -0.035 4.306 4.340 0.001 0.000 0.202 405 Q C 2.005 178.013 176.000 0.012 0.000 0.977 405 Q CA 2.058 57.868 55.803 0.012 0.000 0.850 405 Q CB -0.611 28.136 28.738 0.015 0.000 0.901 405 Q HN 0.563 nan 8.270 nan 0.000 0.429 406 A N -0.426 122.430 122.820 0.060 0.000 1.933 406 A HA -0.034 4.286 4.320 0.001 0.000 0.218 406 A C 2.242 179.884 177.584 0.098 0.000 1.175 406 A CA 1.554 53.634 52.037 0.073 0.000 0.628 406 A CB -1.236 17.820 19.000 0.092 0.000 0.814 406 A HN 0.541 nan 8.150 nan 0.000 0.444 407 G N 0.065 108.953 108.800 0.147 0.000 2.402 407 G HA2 -0.154 3.807 3.960 0.001 0.000 0.216 407 G HA3 -0.154 3.807 3.960 0.001 0.000 0.216 407 G C 1.522 176.383 174.900 -0.065 0.000 1.162 407 G CA 1.071 46.313 45.100 0.236 0.000 0.777 407 G HN 0.470 nan 8.290 nan 0.000 0.539 408 I N 1.149 121.460 120.570 -0.430 0.000 2.179 408 I HA -0.147 4.023 4.170 0.001 0.000 0.242 408 I C 2.246 178.229 176.117 -0.223 0.000 1.088 408 I CA 1.293 62.189 61.300 -0.673 0.000 1.357 408 I CB -0.211 37.475 38.000 -0.523 0.000 1.051 408 I HN 0.035 nan 8.210 nan 0.000 0.409 409 D N 0.404 120.744 120.400 -0.101 0.000 2.178 409 D HA -0.221 4.420 4.640 0.001 0.000 0.201 409 D C 2.067 178.378 176.300 0.017 0.000 0.980 409 D CA 1.157 55.135 54.000 -0.035 0.000 0.842 409 D CB -0.268 40.524 40.800 -0.014 0.000 0.948 409 D HN 0.338 nan 8.370 nan 0.000 0.472 410 M N -0.667 118.990 119.600 0.095 0.000 2.132 410 M HA -0.221 4.259 4.480 0.001 0.000 0.263 410 M C 1.681 178.083 176.300 0.171 0.000 1.065 410 M CA 1.374 56.772 55.300 0.163 0.000 1.122 410 M CB -0.131 32.642 32.600 0.288 0.000 1.365 410 M HN -0.053 nan 8.290 nan 0.000 0.411 411 Y N 0.174 120.495 120.300 0.034 0.000 2.242 411 Y HA -0.153 4.398 4.550 0.001 0.000 0.291 411 Y C 2.423 178.240 175.900 -0.139 0.000 1.137 411 Y CA 1.379 59.518 58.100 0.064 0.000 1.181 411 Y CB -0.973 37.585 38.460 0.163 0.000 0.989 411 Y HN 0.042 nan 8.280 nan 0.000 0.527 412 V N 0.086 120.014 119.914 0.022 0.000 2.307 412 V HA -0.290 3.831 4.120 0.001 0.000 0.245 412 V C 2.392 178.414 176.094 -0.119 0.000 1.045 412 V CA 2.120 64.387 62.300 -0.055 0.000 1.024 412 V CB -0.526 31.262 31.823 -0.058 0.000 0.651 412 V HN 0.284 nan 8.190 nan 0.000 0.449 413 K N 0.305 120.634 120.400 -0.119 0.000 2.097 413 K HA -0.133 4.187 4.320 0.001 0.000 0.206 413 K C 2.011 178.465 176.600 -0.242 0.000 1.049 413 K CA 1.579 57.786 56.287 -0.133 0.000 0.933 413 K CB -0.488 31.963 32.500 -0.080 0.000 0.717 413 K HN 0.508 nan 8.250 nan 0.000 0.442 414 G N 0.523 109.036 108.800 -0.478 0.000 2.650 414 G HA2 -0.145 3.816 3.960 0.001 0.000 0.214 414 G HA3 -0.145 3.816 3.960 0.001 0.000 0.214 414 G C -0.116 174.322 174.900 -0.769 0.000 1.136 414 G CA 0.254 44.830 45.100 -0.873 0.000 0.789 414 G HN 0.387 nan 8.290 nan 0.000 0.536 415 K N -1.220 118.891 120.400 -0.483 0.000 3.117 415 K HA -0.253 4.067 4.320 0.001 0.000 0.269 415 K C 0.659 177.204 176.600 -0.091 0.000 1.098 415 K CA 0.708 56.870 56.287 -0.209 0.000 0.785 415 K CB -2.021 30.414 32.500 -0.107 0.000 1.242 415 K HN 0.651 nan 8.250 nan 0.000 0.491 416 Y N -0.234 120.052 120.300 -0.023 0.000 2.337 416 Y HA -0.034 4.517 4.550 0.001 0.000 0.293 416 Y C 1.474 177.386 175.900 0.020 0.000 1.123 416 Y CA -0.195 57.888 58.100 -0.028 0.000 1.201 416 Y CB 0.422 38.767 38.460 -0.191 0.000 1.011 416 Y HN -0.071 nan 8.280 nan 0.000 0.545 417 V N 3.576 123.601 119.914 0.183 0.000 2.450 417 V HA -0.108 4.012 4.120 0.001 0.000 0.281 417 V C 0.180 176.301 176.094 0.046 0.000 1.019 417 V CA 0.214 62.595 62.300 0.134 0.000 1.062 417 V CB -0.078 31.822 31.823 0.129 0.000 0.979 417 V HN 0.245 nan 8.190 nan 0.000 0.477 418 M N 7.520 127.115 119.600 -0.009 0.000 2.200 418 M HA 0.283 4.763 4.480 0.001 0.000 0.355 418 M C -2.208 174.076 176.300 -0.027 0.000 1.283 418 M CA -1.414 53.845 55.300 -0.069 0.000 1.124 418 M CB 0.251 32.732 32.600 -0.198 0.000 1.625 418 M HN 0.336 nan 8.290 nan 0.000 0.463 419 P HA 0.073 nan 4.420 nan 0.000 0.268 419 P C 0.014 177.336 177.300 0.036 0.000 1.204 419 P CA 0.070 63.182 63.100 0.019 0.000 0.768 419 P CB 0.491 32.208 31.700 0.028 0.000 0.842 420 G N 2.465 111.297 108.800 0.052 0.000 2.507 420 G HA2 0.288 4.248 3.960 0.001 0.000 0.271 420 G HA3 0.288 4.248 3.960 0.001 0.000 0.271 420 G C -0.928 174.069 174.900 0.161 0.000 1.189 420 G CA -0.616 44.539 45.100 0.092 0.000 0.859 420 G HN 0.481 nan 8.290 nan 0.000 0.542 421 F N 0.847 120.821 119.950 0.041 0.000 2.504 421 F HA 0.219 4.747 4.527 0.001 0.000 0.369 421 F C 1.167 177.008 175.800 0.069 0.000 1.082 421 F CA -0.534 57.501 58.000 0.058 0.000 1.216 421 F CB 1.010 40.061 39.000 0.085 0.000 1.108 421 F HN 0.410 nan 8.300 nan 0.000 0.554 422 E N 4.585 124.546 120.200 -0.399 0.000 2.474 422 E HA 0.238 4.588 4.350 0.001 0.000 0.195 422 E C 1.028 177.266 176.600 -0.603 0.000 1.039 422 E CA 0.608 56.796 56.400 -0.353 0.000 0.881 422 E CB 0.012 29.642 29.700 -0.117 0.000 0.970 422 E HN 0.943 nan 8.360 nan 0.000 0.486 423 G N 0.807 108.711 108.800 -1.493 0.000 2.712 423 G HA2 -0.165 3.795 3.960 0.001 0.000 0.683 423 G HA3 -0.165 3.795 3.960 0.001 0.000 0.683 423 G C -0.240 174.412 174.900 -0.414 0.000 1.320 423 G CA -0.425 44.048 45.100 -1.043 0.000 0.847 423 G HN 0.375 nan 8.290 nan 0.000 0.553 424 V N -2.751 117.087 119.914 -0.127 0.000 3.001 424 V HA 0.871 4.991 4.120 0.001 0.000 0.314 424 V C -0.284 175.791 176.094 -0.032 0.000 1.099 424 V CA -1.390 60.929 62.300 0.031 0.000 0.989 424 V CB 2.357 34.263 31.823 0.139 0.000 1.040 424 V HN 0.895 nan 8.190 nan 0.000 0.434 425 N N 3.165 121.856 118.700 -0.015 0.000 2.678 425 N HA 0.477 5.217 4.740 0.001 0.000 0.231 425 N C -0.513 174.980 175.510 -0.029 0.000 1.038 425 N CA -0.086 52.941 53.050 -0.039 0.000 0.932 425 N CB 1.180 39.635 38.487 -0.052 0.000 1.176 425 N HN 0.738 nan 8.380 nan 0.000 0.511 426 M N 0.364 119.940 119.600 -0.040 0.000 2.247 426 M HA 0.163 4.644 4.480 0.001 0.000 0.326 426 M C 1.337 177.631 176.300 -0.010 0.000 1.134 426 M CA -0.315 54.969 55.300 -0.027 0.000 1.136 426 M CB 0.740 33.310 32.600 -0.051 0.000 1.454 426 M HN 0.339 nan 8.290 nan 0.000 0.467 427 T N -1.967 112.588 114.554 0.002 0.000 2.788 427 T HA 0.256 4.606 4.350 0.001 0.000 0.280 427 T C 0.987 175.699 174.700 0.020 0.000 0.984 427 T CA -0.681 61.425 62.100 0.011 0.000 0.972 427 T CB 1.047 69.923 68.868 0.012 0.000 1.039 427 T HN 0.795 nan 8.240 nan 0.000 0.530 428 R N 0.403 120.920 120.500 0.027 0.000 2.083 428 R HA -0.175 4.165 4.340 0.001 0.000 0.237 428 R C 2.061 178.381 176.300 0.032 0.000 1.137 428 R CA 2.149 58.270 56.100 0.035 0.000 0.951 428 R CB -0.469 29.853 30.300 0.036 0.000 0.851 428 R HN 0.820 nan 8.270 nan 0.000 0.434 429 E N 0.321 120.538 120.200 0.028 0.000 2.110 429 E HA -0.170 4.181 4.350 0.001 0.000 0.193 429 E C 1.904 178.527 176.600 0.038 0.000 0.988 429 E CA 1.703 58.120 56.400 0.029 0.000 0.804 429 E CB -0.002 29.714 29.700 0.026 0.000 0.745 429 E HN 0.511 nan 8.360 nan 0.000 0.458 430 E N 0.098 120.321 120.200 0.038 0.000 2.072 430 E HA -0.160 4.190 4.350 0.001 0.000 0.191 430 E C 2.115 178.755 176.600 0.066 0.000 0.985 430 E CA 0.805 57.233 56.400 0.047 0.000 0.801 430 E CB -0.023 29.694 29.700 0.029 0.000 0.750 430 E HN -0.035 nan 8.360 nan 0.000 0.452 431 R N 1.075 121.605 120.500 0.050 0.000 2.120 431 R HA -0.093 4.248 4.340 0.001 0.000 0.234 431 R C 1.989 178.365 176.300 0.126 0.000 1.123 431 R CA 1.395 57.539 56.100 0.072 0.000 0.975 431 R CB -0.429 29.895 30.300 0.040 0.000 0.866 431 R HN 0.158 nan 8.270 nan 0.000 0.446 432 A N 0.589 123.453 122.820 0.073 0.000 1.933 432 A HA -0.115 4.205 4.320 0.001 0.000 0.218 432 A C 1.964 179.557 177.584 0.016 0.000 1.175 432 A CA 1.388 53.447 52.037 0.037 0.000 0.628 432 A CB -0.457 18.548 19.000 0.009 0.000 0.814 432 A HN 0.279 nan 8.150 nan 0.000 0.444 433 I N -1.648 118.955 120.570 0.056 0.000 2.252 433 I HA -0.199 3.972 4.170 0.001 0.000 0.245 433 I C 2.372 178.560 176.117 0.119 0.000 1.102 433 I CA 1.441 62.776 61.300 0.058 0.000 1.385 433 I CB -1.560 36.529 38.000 0.148 0.000 1.064 433 I HN 0.579 nan 8.210 nan 0.000 0.414 434 Y N 2.408 122.743 120.300 0.059 0.000 2.128 434 Y HA -0.281 4.270 4.550 0.001 0.000 0.284 434 Y C 2.254 178.236 175.900 0.136 0.000 1.154 434 Y CA 1.917 60.086 58.100 0.115 0.000 1.149 434 Y CB -0.240 38.257 38.460 0.062 0.000 0.976 434 Y HN 0.199 nan 8.280 nan 0.000 0.505 435 D N 0.088 120.621 120.400 0.222 0.000 2.219 435 D HA -0.155 4.485 4.640 0.001 0.000 0.205 435 D C 1.966 178.223 176.300 -0.073 0.000 0.970 435 D CA 1.239 55.292 54.000 0.089 0.000 0.851 435 D CB -0.198 40.661 40.800 0.099 0.000 0.943 435 D HN 0.439 nan 8.370 nan 0.000 0.488 436 K N -0.646 119.644 120.400 -0.183 0.000 2.116 436 K HA -0.090 4.231 4.320 0.001 0.000 0.203 436 K C 1.318 177.673 176.600 -0.408 0.000 1.052 436 K CA 0.938 56.980 56.287 -0.409 0.000 0.952 436 K CB 0.174 32.229 32.500 -0.742 0.000 0.729 436 K HN 0.218 nan 8.250 nan 0.000 0.446 437 Y N -2.294 117.998 120.300 -0.012 0.000 2.589 437 Y HA 0.019 4.570 4.550 0.001 0.000 0.271 437 Y C 2.007 177.894 175.900 -0.021 0.000 1.107 437 Y CA -0.722 57.366 58.100 -0.021 0.000 1.273 437 Y CB -0.191 38.275 38.460 0.010 0.000 1.266 437 Y HN 0.156 nan 8.280 nan 0.000 0.504 438 W N 2.112 123.333 121.300 -0.132 0.000 2.317 438 W HA -0.343 4.318 4.660 0.001 0.000 0.318 438 W C 2.186 178.594 176.519 -0.185 0.000 1.227 438 W CA 1.931 59.133 57.345 -0.237 0.000 1.269 438 W CB -0.214 28.866 29.460 -0.633 0.000 1.155 438 W HN 0.101 nan 8.180 nan 0.000 0.484 439 A N 0.315 122.850 122.820 -0.475 0.000 1.917 439 A HA -0.338 3.982 4.320 0.001 0.000 0.219 439 A C 1.569 178.891 177.584 -0.436 0.000 1.182 439 A CA 2.522 54.237 52.037 -0.537 0.000 0.633 439 A CB -1.349 17.490 19.000 -0.269 0.000 0.819 439 A HN 0.502 nan 8.150 nan 0.000 0.448 440 D N -0.864 119.384 120.400 -0.253 0.000 2.117 440 D HA -0.108 4.532 4.640 0.001 0.000 0.198 440 D C 1.758 177.938 176.300 -0.199 0.000 0.982 440 D CA 1.468 55.367 54.000 -0.168 0.000 0.828 440 D CB -0.046 40.717 40.800 -0.062 0.000 0.967 440 D HN 0.142 nan 8.370 nan 0.000 0.464 441 V N 0.397 120.170 119.914 -0.235 0.000 2.343 441 V HA -0.200 3.921 4.120 0.001 0.000 0.247 441 V C 2.603 178.452 176.094 -0.407 0.000 1.051 441 V CA 1.910 64.080 62.300 -0.217 0.000 1.036 441 V CB -0.619 31.159 31.823 -0.075 0.000 0.654 441 V HN 0.234 nan 8.190 nan 0.000 0.451 442 R N -0.229 119.730 120.500 -0.903 0.000 2.081 442 R HA -0.173 4.168 4.340 0.001 0.000 0.235 442 R C 2.364 178.359 176.300 -0.508 0.000 1.131 442 R CA 2.119 57.633 56.100 -0.977 0.000 0.960 442 R CB -0.450 29.015 30.300 -1.391 0.000 0.856 442 R HN 0.530 nan 8.270 nan 0.000 0.436 443 T N 0.016 114.343 114.554 -0.379 0.000 2.746 443 T HA -0.195 4.155 4.350 0.001 0.000 0.267 443 T C 1.325 175.966 174.700 -0.099 0.000 1.039 443 T CA 1.515 63.492 62.100 -0.206 0.000 1.142 443 T CB -0.442 68.329 68.868 -0.162 0.000 0.866 443 T HN 0.395 nan 8.240 nan 0.000 0.444 444 Y N 1.558 121.743 120.300 -0.191 0.000 2.181 444 Y HA -0.074 4.476 4.550 0.001 0.000 0.288 444 Y C 2.239 178.087 175.900 -0.088 0.000 1.146 444 Y CA 1.172 59.195 58.100 -0.128 0.000 1.164 444 Y CB -0.471 37.906 38.460 -0.137 0.000 0.982 444 Y HN 0.132 nan 8.280 nan 0.000 0.515 445 M N -1.491 117.966 119.600 -0.239 0.000 2.080 445 M HA -0.264 4.216 4.480 0.001 0.000 0.260 445 M C 2.076 178.266 176.300 -0.184 0.000 1.068 445 M CA 2.255 57.441 55.300 -0.190 0.000 1.109 445 M CB -0.799 31.647 32.600 -0.257 0.000 1.342 445 M HN 0.398 nan 8.290 nan 0.000 0.405 446 Y N 1.248 121.329 120.300 -0.364 0.000 2.181 446 Y HA -0.239 4.311 4.550 0.001 0.000 0.288 446 Y C 2.137 177.942 175.900 -0.158 0.000 1.146 446 Y CA 1.869 59.835 58.100 -0.224 0.000 1.164 446 Y CB -0.098 38.246 38.460 -0.194 0.000 0.982 446 Y HN 0.271 nan 8.280 nan 0.000 0.515 447 E N -0.789 119.366 120.200 -0.074 0.000 2.051 447 E HA -0.239 4.112 4.350 0.001 0.000 0.192 447 E C 2.117 178.493 176.600 -0.374 0.000 0.991 447 E CA 1.452 57.751 56.400 -0.169 0.000 0.799 447 E CB -0.175 29.442 29.700 -0.138 0.000 0.748 447 E HN 0.439 nan 8.360 nan 0.000 0.449 448 M N 0.093 119.339 119.600 -0.590 0.000 2.132 448 M HA -0.057 4.423 4.480 0.001 0.000 0.263 448 M C 2.489 178.156 176.300 -1.054 0.000 1.065 448 M CA 1.390 56.126 55.300 -0.940 0.000 1.122 448 M CB -1.308 30.556 32.600 -1.226 0.000 1.365 448 M HN 0.216 nan 8.290 nan 0.000 0.411 449 G N -0.482 107.962 108.800 -0.593 0.000 2.440 449 G HA2 -0.274 3.686 3.960 0.001 0.000 0.218 449 G HA3 -0.274 3.686 3.960 0.001 0.000 0.218 449 G C 1.496 176.480 174.900 0.140 0.000 1.154 449 G CA 0.900 45.931 45.100 -0.116 0.000 0.767 449 G HN 0.544 nan 8.290 nan 0.000 0.552 450 Q N 0.011 119.731 119.800 -0.133 0.000 2.084 450 Q HA -0.003 4.338 4.340 0.001 0.000 0.202 450 Q C 2.851 178.649 176.000 -0.336 0.000 0.978 450 Q CA 1.417 56.952 55.803 -0.447 0.000 0.844 450 Q CB -0.288 27.950 28.738 -0.832 0.000 0.898 450 Q HN 0.426 nan 8.270 nan 0.000 0.426 451 A N 0.099 122.740 122.820 -0.298 0.000 1.933 451 A HA -0.184 4.136 4.320 0.001 0.000 0.218 451 A C 1.598 179.168 177.584 -0.022 0.000 1.175 451 A CA 1.259 53.177 52.037 -0.198 0.000 0.628 451 A CB -0.973 17.881 19.000 -0.244 0.000 0.814 451 A HN 0.597 nan 8.150 nan 0.000 0.444 452 W N -0.139 121.116 121.300 -0.076 0.000 2.381 452 W HA -0.060 4.601 4.660 0.001 0.000 0.301 452 W C 2.326 178.793 176.519 -0.085 0.000 1.205 452 W CA 0.966 58.270 57.345 -0.069 0.000 1.285 452 W CB -1.340 28.081 29.460 -0.066 0.000 1.133 452 W HN 0.179 nan 8.180 nan 0.000 0.521 453 V N 0.744 120.752 119.914 0.156 0.000 2.307 453 V HA -0.300 3.820 4.120 0.001 0.000 0.245 453 V C 2.185 178.103 176.094 -0.294 0.000 1.045 453 V CA 1.852 64.141 62.300 -0.018 0.000 1.024 453 V CB -0.806 31.044 31.823 0.045 0.000 0.651 453 V HN 0.069 nan 8.190 nan 0.000 0.449 454 M N -0.311 119.095 119.600 -0.324 0.000 2.630 454 M HA 0.152 4.632 4.480 0.001 0.000 0.254 454 M C 1.609 177.889 176.300 -0.034 0.000 1.092 454 M CA 1.109 56.194 55.300 -0.358 0.000 1.087 454 M CB -0.156 32.311 32.600 -0.222 0.000 1.453 454 M HN 0.570 nan 8.290 nan 0.000 0.509 455 G N 0.732 109.542 108.800 0.016 0.000 2.148 455 G HA2 -0.285 3.675 3.960 0.001 0.000 0.254 455 G HA3 -0.285 3.675 3.960 0.001 0.000 0.254 455 G C 0.751 175.693 174.900 0.070 0.000 0.981 455 G CA 0.732 45.877 45.100 0.075 0.000 0.670 455 G HN 0.532 nan 8.290 nan 0.000 0.528 456 T N -2.813 111.769 114.554 0.048 0.000 3.088 456 T HA 0.400 4.751 4.350 0.001 0.000 0.259 456 T C 0.790 175.528 174.700 0.063 0.000 1.122 456 T CA 1.230 63.355 62.100 0.041 0.000 1.095 456 T CB 0.485 69.356 68.868 0.005 0.000 0.930 456 T HN 0.508 nan 8.240 nan 0.000 0.508 457 K N 1.093 121.562 120.400 0.115 0.000 2.501 457 K HA 0.409 4.730 4.320 0.001 0.000 0.252 457 K C -1.937 174.825 176.600 0.270 0.000 0.934 457 K CA -0.794 55.604 56.287 0.186 0.000 0.797 457 K CB 2.311 34.923 32.500 0.187 0.000 1.270 457 K HN 0.047 nan 8.250 nan 0.000 0.431 458 D N 1.516 122.025 120.400 0.182 0.000 2.264 458 D HA 0.111 4.752 4.640 0.001 0.000 0.250 458 D C 1.038 177.329 176.300 -0.015 0.000 1.113 458 D CA -0.298 53.741 54.000 0.064 0.000 0.871 458 D CB 1.353 42.167 40.800 0.024 0.000 1.167 458 D HN 0.167 nan 8.370 nan 0.000 0.447 459 V N 3.616 123.328 119.914 -0.336 0.000 2.220 459 V HA -0.255 3.866 4.120 0.001 0.000 0.246 459 V C 1.611 177.513 176.094 -0.320 0.000 1.049 459 V CA 1.900 63.746 62.300 -0.757 0.000 1.003 459 V CB -0.519 30.772 31.823 -0.886 0.000 0.634 459 V HN 0.674 nan 8.190 nan 0.000 0.444 460 D N -0.059 120.198 120.400 -0.238 0.000 2.123 460 D HA -0.155 4.485 4.640 0.001 0.000 0.196 460 D C 2.232 178.550 176.300 0.030 0.000 0.992 460 D CA 1.294 55.226 54.000 -0.113 0.000 0.833 460 D CB -0.287 40.430 40.800 -0.138 0.000 0.954 460 D HN 0.449 nan 8.370 nan 0.000 0.455 461 K N -0.439 119.980 120.400 0.032 0.000 2.362 461 K HA -0.025 4.295 4.320 0.001 0.000 0.200 461 K C 1.540 178.233 176.600 0.155 0.000 1.046 461 K CA 1.253 57.590 56.287 0.083 0.000 0.952 461 K CB 0.129 32.667 32.500 0.062 0.000 0.753 461 K HN 0.248 nan 8.250 nan 0.000 0.466 462 T N -3.511 111.179 114.554 0.226 0.000 3.040 462 T HA 0.006 4.356 4.350 0.001 0.000 0.266 462 T C 1.142 176.098 174.700 0.426 0.000 1.005 462 T CA -0.718 61.576 62.100 0.324 0.000 0.906 462 T CB -0.154 68.967 68.868 0.422 0.000 1.082 462 T HN 0.332 nan 8.240 nan 0.000 0.531 463 W N 2.632 124.043 121.300 0.184 0.000 2.338 463 W HA -0.157 4.504 4.660 0.001 0.000 0.304 463 W C 0.697 177.404 176.519 0.312 0.000 1.212 463 W CA 1.480 58.969 57.345 0.240 0.000 1.264 463 W CB -0.084 29.412 29.460 0.060 0.000 1.142 463 W HN 0.243 nan 8.180 nan 0.000 0.512 464 D N -0.004 120.558 120.400 0.271 0.000 2.144 464 D HA -0.219 4.421 4.640 0.001 0.000 0.199 464 D C 1.954 178.308 176.300 0.091 0.000 0.984 464 D CA 1.718 55.803 54.000 0.142 0.000 0.834 464 D CB -0.590 40.303 40.800 0.154 0.000 0.955 464 D HN 0.406 nan 8.370 nan 0.000 0.465 465 E N -0.459 119.832 120.200 0.151 0.000 2.051 465 E HA -0.224 4.126 4.350 0.001 0.000 0.192 465 E C 2.128 178.826 176.600 0.164 0.000 0.991 465 E CA 0.652 57.137 56.400 0.141 0.000 0.799 465 E CB -0.222 29.585 29.700 0.179 0.000 0.748 465 E HN 0.398 nan 8.360 nan 0.000 0.449 466 Y N 1.124 121.478 120.300 0.090 0.000 2.128 466 Y HA -0.281 4.270 4.550 0.001 0.000 0.284 466 Y C 2.431 178.311 175.900 -0.033 0.000 1.154 466 Y CA 1.952 60.118 58.100 0.109 0.000 1.149 466 Y CB 0.014 38.540 38.460 0.111 0.000 0.976 466 Y HN 0.083 nan 8.280 nan 0.000 0.505 467 Q N 0.532 120.201 119.800 -0.218 0.000 2.124 467 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 467 Q C 2.301 178.227 176.000 -0.124 0.000 0.977 467 Q CA 1.662 57.315 55.803 -0.251 0.000 0.850 467 Q CB -0.356 28.269 28.738 -0.189 0.000 0.901 467 Q HN 0.593 nan 8.270 nan 0.000 0.429 468 R N 0.247 120.699 120.500 -0.079 0.000 2.081 468 R HA -0.115 4.225 4.340 0.001 0.000 0.235 468 R C 2.294 178.519 176.300 -0.124 0.000 1.131 468 R CA 1.014 57.072 56.100 -0.069 0.000 0.960 468 R CB -0.101 30.176 30.300 -0.040 0.000 0.856 468 R HN 0.360 nan 8.270 nan 0.000 0.436 469 Q N 0.623 120.315 119.800 -0.179 0.000 2.084 469 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 469 Q C 2.340 178.120 176.000 -0.367 0.000 0.978 469 Q CA 1.201 56.795 55.803 -0.348 0.000 0.844 469 Q CB -0.129 28.257 28.738 -0.587 0.000 0.898 469 Q HN 0.412 nan 8.270 nan 0.000 0.426 470 L N 0.536 121.571 121.223 -0.314 0.000 2.042 470 L HA -0.215 4.125 4.340 0.001 0.000 0.210 470 L C 2.619 179.396 176.870 -0.154 0.000 1.076 470 L CA 1.333 56.007 54.840 -0.277 0.000 0.749 470 L CB -0.468 41.397 42.059 -0.324 0.000 0.893 470 L HN 0.197 nan 8.230 nan 0.000 0.432 471 K N 1.036 121.428 120.400 -0.013 0.000 2.025 471 K HA -0.174 4.146 4.320 0.001 0.000 0.207 471 K C 2.015 178.558 176.600 -0.095 0.000 1.049 471 K CA 1.340 57.668 56.287 0.068 0.000 0.933 471 K CB -0.094 32.441 32.500 0.059 0.000 0.714 471 K HN 0.260 nan 8.250 nan 0.000 0.438 472 L N -0.803 120.335 121.223 -0.143 0.000 2.551 472 L HA 0.081 4.421 4.340 0.001 0.000 0.228 472 L C 1.502 178.221 176.870 -0.252 0.000 1.153 472 L CA 1.155 55.890 54.840 -0.175 0.000 0.851 472 L CB -0.199 41.774 42.059 -0.143 0.000 0.959 472 L HN -0.018 nan 8.230 nan 0.000 0.451 473 R N 0.302 120.626 120.500 -0.294 0.000 2.334 473 R HA 0.347 4.687 4.340 0.001 0.000 0.216 473 R C 1.221 177.215 176.300 -0.509 0.000 0.905 473 R CA 0.517 56.423 56.100 -0.323 0.000 1.064 473 R CB 0.235 30.366 30.300 -0.282 0.000 1.046 473 R HN 0.583 nan 8.270 nan 0.000 0.508 474 G N 1.020 109.488 108.800 -0.553 0.000 2.157 474 G HA2 -0.282 3.679 3.960 0.001 0.000 0.248 474 G HA3 -0.282 3.679 3.960 0.001 0.000 0.248 474 G C 0.619 175.372 174.900 -0.244 0.000 0.979 474 G CA 0.248 44.946 45.100 -0.670 0.000 0.650 474 G HN 0.286 nan 8.290 nan 0.000 0.529 475 L N -0.181 120.919 121.223 -0.204 0.000 2.013 475 L HA 0.034 4.374 4.340 0.001 0.000 0.212 475 L C 2.502 179.223 176.870 -0.248 0.000 1.073 475 L CA 2.746 57.462 54.840 -0.207 0.000 0.753 475 L CB -0.628 41.183 42.059 -0.414 0.000 0.890 475 L HN 0.396 nan 8.230 nan 0.000 0.432 476 Y N -0.802 119.493 120.300 -0.009 0.000 2.421 476 Y HA -0.175 4.375 4.550 0.001 0.000 0.292 476 Y C 2.756 178.665 175.900 0.016 0.000 1.136 476 Y CA 1.397 59.502 58.100 0.009 0.000 1.255 476 Y CB -0.272 38.181 38.460 -0.013 0.000 0.991 476 Y HN 0.415 nan 8.280 nan 0.000 0.552 477 Q N -0.062 119.800 119.800 0.104 0.000 2.137 477 Q HA -0.114 4.226 4.340 0.001 0.000 0.198 477 Q C 2.123 178.191 176.000 0.113 0.000 0.960 477 Q CA 1.194 57.059 55.803 0.104 0.000 0.847 477 Q CB 0.007 28.805 28.738 0.100 0.000 0.915 477 Q HN 0.355 nan 8.270 nan 0.000 0.448 478 V N 1.181 121.165 119.914 0.117 0.000 2.343 478 V HA -0.288 3.833 4.120 0.001 0.000 0.247 478 V C 2.311 178.415 176.094 0.016 0.000 1.051 478 V CA 1.512 63.882 62.300 0.116 0.000 1.036 478 V CB -0.500 31.417 31.823 0.157 0.000 0.654 478 V HN 0.398 nan 8.190 nan 0.000 0.451 479 L N -0.325 120.906 121.223 0.014 0.000 2.083 479 L HA -0.257 4.083 4.340 0.001 0.000 0.209 479 L C 2.669 179.542 176.870 0.004 0.000 1.083 479 L CA 2.007 56.837 54.840 -0.016 0.000 0.752 479 L CB -0.565 41.529 42.059 0.058 0.000 0.899 479 L HN 0.433 nan 8.230 nan 0.000 0.433 480 Q N -0.383 119.449 119.800 0.053 0.000 2.084 480 Q HA -0.238 4.102 4.340 0.001 0.000 0.202 480 Q C 2.347 178.371 176.000 0.040 0.000 0.978 480 Q CA 1.461 57.296 55.803 0.054 0.000 0.844 480 Q CB 0.088 28.868 28.738 0.071 0.000 0.898 480 Q HN 0.379 nan 8.270 nan 0.000 0.426 481 M N -0.274 119.350 119.600 0.041 0.000 2.117 481 M HA -0.142 4.339 4.480 0.001 0.000 0.262 481 M C 2.137 178.444 176.300 0.011 0.000 1.065 481 M CA 1.492 56.814 55.300 0.037 0.000 1.114 481 M CB -0.783 31.851 32.600 0.057 0.000 1.361 481 M HN 0.371 nan 8.290 nan 0.000 0.408 482 M N -0.664 118.916 119.600 -0.034 0.000 2.229 482 M HA -0.205 4.275 4.480 0.001 0.000 0.264 482 M C 2.182 178.496 176.300 0.023 0.000 1.063 482 M CA 1.369 56.633 55.300 -0.060 0.000 1.114 482 M CB -0.418 32.047 32.600 -0.226 0.000 1.387 482 M HN 0.188 nan 8.290 nan 0.000 0.420 483 Q N 0.877 120.687 119.800 0.018 0.000 2.119 483 Q HA -0.174 4.167 4.340 0.001 0.000 0.201 483 Q C 1.783 177.857 176.000 0.124 0.000 0.972 483 Q CA 1.814 57.656 55.803 0.066 0.000 0.847 483 Q CB -0.111 28.647 28.738 0.033 0.000 0.903 483 Q HN 0.527 nan 8.270 nan 0.000 0.433 484 Q N -0.692 119.157 119.800 0.081 0.000 2.084 484 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 484 Q C 2.069 178.117 176.000 0.080 0.000 0.978 484 Q CA 1.407 57.254 55.803 0.073 0.000 0.844 484 Q CB -0.291 28.476 28.738 0.049 0.000 0.898 484 Q HN 0.497 nan 8.270 nan 0.000 0.426 485 A N 0.288 123.155 122.820 0.079 0.000 1.902 485 A HA -0.217 4.103 4.320 0.001 0.000 0.217 485 A C 1.916 179.576 177.584 0.126 0.000 1.181 485 A CA 1.295 53.375 52.037 0.071 0.000 0.623 485 A CB -0.833 18.195 19.000 0.048 0.000 0.818 485 A HN 0.499 nan 8.150 nan 0.000 0.443 486 Y N 1.234 121.585 120.300 0.084 0.000 2.145 486 Y HA -0.229 4.321 4.550 0.001 0.000 0.286 486 Y C 1.821 177.839 175.900 0.197 0.000 1.145 486 Y CA 2.136 60.341 58.100 0.175 0.000 1.148 486 Y CB -0.191 38.330 38.460 0.101 0.000 0.981 486 Y HN 0.349 nan 8.280 nan 0.000 0.507 487 D N -0.149 120.360 120.400 0.182 0.000 2.178 487 D HA -0.180 4.460 4.640 0.001 0.000 0.201 487 D C 2.221 178.514 176.300 -0.011 0.000 0.980 487 D CA 1.233 55.283 54.000 0.083 0.000 0.842 487 D CB -0.382 40.488 40.800 0.116 0.000 0.948 487 D HN 0.376 nan 8.370 nan 0.000 0.472 488 R N 0.441 120.934 120.500 -0.011 0.000 2.096 488 R HA -0.132 4.208 4.340 0.001 0.000 0.235 488 R C 2.145 178.373 176.300 -0.121 0.000 1.127 488 R CA 1.363 57.434 56.100 -0.048 0.000 0.968 488 R CB 0.042 30.324 30.300 -0.031 0.000 0.861 488 R HN 0.194 nan 8.270 nan 0.000 0.440 489 Q N -1.282 118.407 119.800 -0.184 0.000 2.165 489 Q HA -0.090 4.250 4.340 0.001 0.000 0.197 489 Q C 0.819 176.476 176.000 -0.572 0.000 0.952 489 Q CA 1.005 56.572 55.803 -0.394 0.000 0.848 489 Q CB 0.273 28.709 28.738 -0.504 0.000 0.931 489 Q HN 0.425 nan 8.270 nan 0.000 0.470 490 Y N -0.254 119.804 120.300 -0.403 0.000 2.462 490 Y HA 0.330 4.880 4.550 0.001 0.000 0.253 490 Y C 0.419 176.186 175.900 -0.221 0.000 1.095 490 Y CA -0.193 57.683 58.100 -0.373 0.000 1.283 490 Y CB 0.793 38.865 38.460 -0.647 0.000 1.138 490 Y HN -0.149 nan 8.280 nan 0.000 0.522 491 K N 0.632 121.004 120.400 -0.045 0.000 2.354 491 K HA 0.335 4.655 4.320 0.001 0.000 0.238 491 K C -0.378 176.217 176.600 -0.008 0.000 1.068 491 K CA -0.690 55.603 56.287 0.011 0.000 0.925 491 K CB 0.890 33.428 32.500 0.062 0.000 1.286 491 K HN 0.178 nan 8.250 nan 0.000 0.500 492 N N 0.000 118.706 118.700 0.010 0.000 1.763 492 N HA 0.000 4.740 4.740 0.001 0.000 0.220 492 N CA 0.000 53.051 53.050 0.001 0.000 0.885 492 N CB 0.000 38.489 38.487 0.003 0.000 1.341 492 N HN 0.000 nan 8.380 nan 0.000 0.667