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 1p4k_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTNKPIVLST WNFGLHANVE AWKVLSKGGK ALDAVEKGVR LVEDDPTERS DATA SEQUENCE VGYGGRPDRD GRVTLDACIM DENYNIGSVA CMEHIKNPIS VARAVMEKTP DATA SEQUENCE HVMLVGDGAL EFALSQGFKK ENLLTAESEK EWKEWLKTSQ YKPIVNIENH DATA SEQUENCE NTIGMIALDA QGNLSGACTT SGMAYKMHGR VGDSPIIGAG LFVDNEIGAA DATA SEQUENCE TATGHGEEVI RTVGTHLVVE LMNQGRTPQQ ACKEAVERIV KIVNRRGKNL DATA SEQUENCE KDIQVGFIAL NKKGEYGAYC IQDGFNFAVH DQKGNRLETP GFALK 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.720 174.700 0.033 0.000 1.109 1 T CA 0.000 62.115 62.100 0.025 0.000 1.349 1 T CB 0.000 68.880 68.868 0.019 0.000 0.612 2 T N 4.137 118.712 114.554 0.034 0.000 2.905 2 T HA 0.144 4.494 4.350 -0.001 0.000 0.299 2 T C 0.201 174.935 174.700 0.057 0.000 1.024 2 T CA 0.394 62.520 62.100 0.043 0.000 1.151 2 T CB 0.122 69.011 68.868 0.036 0.000 0.987 2 T HN 0.246 nan 8.240 nan 0.000 0.535 3 N N 3.572 122.317 118.700 0.075 0.000 2.527 3 N HA 0.310 5.050 4.740 -0.001 0.000 0.236 3 N C -0.763 174.815 175.510 0.114 0.000 0.999 3 N CA -0.742 52.368 53.050 0.101 0.000 0.935 3 N CB 0.180 38.741 38.487 0.123 0.000 1.132 3 N HN 0.708 nan 8.380 nan 0.000 0.511 4 K N 1.794 122.259 120.400 0.108 0.000 2.551 4 K HA 0.652 4.972 4.320 -0.001 0.000 0.269 4 K C -3.031 173.635 176.600 0.109 0.000 0.949 4 K CA -1.512 54.839 56.287 0.107 0.000 0.849 4 K CB 1.100 33.637 32.500 0.061 0.000 1.411 4 K HN 0.137 nan 8.250 nan 0.000 0.432 5 P HA 0.448 nan 4.420 nan 0.000 0.276 5 P C -0.999 176.485 177.300 0.306 0.000 1.261 5 P CA -0.713 62.452 63.100 0.108 0.000 0.800 5 P CB 0.684 32.333 31.700 -0.086 0.000 1.066 6 I N -0.707 120.023 120.570 0.268 0.000 2.787 6 I HA 0.526 4.695 4.170 -0.001 0.000 0.294 6 I C -1.910 174.327 176.117 0.200 0.000 1.365 6 I CA -0.996 60.468 61.300 0.274 0.000 1.029 6 I CB 2.062 40.168 38.000 0.177 0.000 1.313 6 I HN 0.198 nan 8.210 nan 0.000 0.431 7 V N 7.611 127.633 119.914 0.180 0.000 2.760 7 V HA 0.690 4.810 4.120 -0.001 0.000 0.309 7 V C -1.783 174.356 176.094 0.075 0.000 1.077 7 V CA -0.331 62.049 62.300 0.133 0.000 0.910 7 V CB 2.116 34.044 31.823 0.175 0.000 1.008 7 V HN 0.656 nan 8.190 nan 0.000 0.424 8 L N 5.398 126.664 121.223 0.071 0.000 2.381 8 L HA 0.913 5.253 4.340 -0.001 0.000 0.268 8 L C -0.178 176.761 176.870 0.115 0.000 0.997 8 L CA 0.192 55.080 54.840 0.081 0.000 0.818 8 L CB 2.397 44.489 42.059 0.057 0.000 1.310 8 L HN 0.941 nan 8.230 nan 0.000 0.416 9 S N -1.109 114.676 115.700 0.143 0.000 2.579 9 S HA 0.756 5.225 4.470 -0.001 0.000 0.272 9 S C -0.531 174.169 174.600 0.167 0.000 1.141 9 S CA -0.668 57.630 58.200 0.162 0.000 0.843 9 S CB 1.527 64.830 63.200 0.172 0.000 1.122 9 S HN 0.643 nan 8.310 nan 0.000 0.468 10 T N -0.689 113.988 114.554 0.206 0.000 2.910 10 T HA 0.555 4.905 4.350 -0.001 0.000 0.293 10 T C -0.214 174.484 174.700 -0.004 0.000 1.015 10 T CA -0.264 61.903 62.100 0.113 0.000 1.094 10 T CB -0.661 68.336 68.868 0.215 0.000 0.968 10 T HN 1.067 nan 8.240 nan 0.000 0.521 11 W N 0.611 121.713 121.300 -0.330 0.000 3.078 11 W HA -0.265 4.395 4.660 -0.001 0.000 0.170 11 W C 1.417 177.534 176.519 -0.670 0.000 0.630 11 W CA 0.432 57.389 57.345 -0.648 0.000 0.459 11 W CB -1.139 27.730 29.460 -0.985 0.000 2.859 11 W HN 0.879 nan 8.180 nan 0.000 0.416 12 N N 0.123 118.622 118.700 -0.334 0.000 2.094 12 N HA -0.211 4.528 4.740 -0.001 0.000 0.191 12 N C 1.453 176.767 175.510 -0.325 0.000 1.023 12 N CA 2.017 54.895 53.050 -0.287 0.000 0.857 12 N CB -0.405 37.987 38.487 -0.159 0.000 1.013 12 N HN 0.447 nan 8.380 nan 0.000 0.426 13 F N -0.652 119.254 119.950 -0.075 0.000 2.546 13 F HA 0.233 4.759 4.527 -0.001 0.000 0.298 13 F C 2.111 177.791 175.800 -0.200 0.000 1.120 13 F CA 0.047 57.958 58.000 -0.148 0.000 1.456 13 F CB -0.626 38.434 39.000 0.099 0.000 1.088 13 F HN -0.165 nan 8.300 nan 0.000 0.572 14 G N 1.373 110.277 108.800 0.172 0.000 2.471 14 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 14 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 14 G C 1.464 176.352 174.900 -0.020 0.000 1.125 14 G CA 0.730 45.930 45.100 0.167 0.000 0.775 14 G HN 0.397 nan 8.290 nan 0.000 0.548 15 L N 0.672 121.758 121.223 -0.229 0.000 2.017 15 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 15 L C 2.765 179.575 176.870 -0.100 0.000 1.073 15 L CA 1.765 56.472 54.840 -0.221 0.000 0.745 15 L CB -0.488 41.389 42.059 -0.303 0.000 0.894 15 L HN 0.352 nan 8.230 nan 0.000 0.432 16 H N -0.841 118.288 119.070 0.099 0.000 2.389 16 H HA 0.089 4.644 4.556 -0.001 0.000 0.299 16 H C 2.153 177.548 175.328 0.112 0.000 1.081 16 H CA 1.094 57.200 56.048 0.096 0.000 1.345 16 H CB -0.809 29.009 29.762 0.095 0.000 1.393 16 H HN 0.469 nan 8.280 nan 0.000 0.520 17 A N 1.860 124.798 122.820 0.196 0.000 1.933 17 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 17 A C 2.223 179.898 177.584 0.152 0.000 1.175 17 A CA 1.507 53.642 52.037 0.163 0.000 0.628 17 A CB -0.360 18.738 19.000 0.164 0.000 0.814 17 A HN 0.304 nan 8.150 nan 0.000 0.444 18 N N 0.171 118.958 118.700 0.146 0.000 2.166 18 N HA -0.119 4.621 4.740 -0.001 0.000 0.186 18 N C 1.584 177.234 175.510 0.234 0.000 1.019 18 N CA 1.457 54.612 53.050 0.175 0.000 0.856 18 N CB -0.538 38.044 38.487 0.158 0.000 0.993 18 N HN 0.258 nan 8.380 nan 0.000 0.426 19 V N 1.524 121.573 119.914 0.225 0.000 2.343 19 V HA -0.167 3.953 4.120 -0.001 0.000 0.247 19 V C 2.102 178.321 176.094 0.208 0.000 1.051 19 V CA 1.468 63.915 62.300 0.244 0.000 1.036 19 V CB -0.329 31.610 31.823 0.193 0.000 0.654 19 V HN 0.258 nan 8.190 nan 0.000 0.451 20 E N 0.413 120.709 120.200 0.161 0.000 2.072 20 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 20 E C 2.358 179.021 176.600 0.104 0.000 0.985 20 E CA 1.445 57.915 56.400 0.118 0.000 0.801 20 E CB -0.582 29.176 29.700 0.097 0.000 0.750 20 E HN 0.568 nan 8.360 nan 0.000 0.452 21 A N 1.162 124.056 122.820 0.123 0.000 1.930 21 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 21 A C 2.017 179.655 177.584 0.091 0.000 1.175 21 A CA 0.937 53.032 52.037 0.098 0.000 0.627 21 A CB -1.044 18.028 19.000 0.119 0.000 0.815 21 A HN 0.454 nan 8.150 nan 0.000 0.443 22 W N 0.979 122.215 121.300 -0.105 0.000 2.425 22 W HA -0.129 4.531 4.660 -0.001 0.000 0.277 22 W C 1.656 178.105 176.519 -0.116 0.000 1.231 22 W CA 1.589 58.806 57.345 -0.214 0.000 1.248 22 W CB -0.048 29.139 29.460 -0.455 0.000 1.117 22 W HN 0.353 nan 8.180 nan 0.000 0.568 23 K N -0.257 120.154 120.400 0.019 0.000 2.152 23 K HA -0.187 4.133 4.320 -0.001 0.000 0.206 23 K C 1.720 178.242 176.600 -0.130 0.000 1.048 23 K CA 1.612 57.874 56.287 -0.041 0.000 0.933 23 K CB -0.328 32.184 32.500 0.020 0.000 0.721 23 K HN 0.046 nan 8.250 nan 0.000 0.447 24 V N 1.283 121.121 119.914 -0.126 0.000 2.300 24 V HA -0.155 3.964 4.120 -0.001 0.000 0.241 24 V C 2.142 178.092 176.094 -0.239 0.000 1.034 24 V CA 1.194 63.412 62.300 -0.138 0.000 1.021 24 V CB -0.352 31.423 31.823 -0.079 0.000 0.662 24 V HN 0.221 nan 8.190 nan 0.000 0.458 25 L N 1.219 122.250 121.223 -0.318 0.000 2.012 25 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 25 L C 2.684 179.143 176.870 -0.686 0.000 1.073 25 L CA 2.084 56.649 54.840 -0.459 0.000 0.748 25 L CB -0.903 40.863 42.059 -0.489 0.000 0.891 25 L HN 0.566 nan 8.230 nan 0.000 0.431 26 S N -0.995 114.087 115.700 -1.030 0.000 2.474 26 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 26 S C 1.587 175.941 174.600 -0.410 0.000 0.997 26 S CA 0.673 58.335 58.200 -0.896 0.000 0.949 26 S CB -0.145 62.471 63.200 -0.975 0.000 0.766 26 S HN 0.287 nan 8.310 nan 0.000 0.517 27 K N 0.760 120.970 120.400 -0.316 0.000 2.397 27 K HA 0.336 4.656 4.320 -0.001 0.000 0.202 27 K C 1.257 177.766 176.600 -0.152 0.000 1.022 27 K CA 0.441 56.619 56.287 -0.183 0.000 1.141 27 K CB -0.150 32.268 32.500 -0.136 0.000 0.857 27 K HN 0.540 nan 8.250 nan 0.000 0.514 28 G N 0.972 109.661 108.800 -0.185 0.000 2.143 28 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.249 28 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.249 28 G C 0.568 175.400 174.900 -0.113 0.000 0.981 28 G CA 0.057 45.076 45.100 -0.134 0.000 0.665 28 G HN 0.525 nan 8.290 nan 0.000 0.528 29 G N -0.334 108.389 108.800 -0.128 0.000 2.667 29 G HA2 0.463 4.422 3.960 -0.001 0.000 0.250 29 G HA3 0.463 4.422 3.960 -0.001 0.000 0.250 29 G C 0.313 175.163 174.900 -0.084 0.000 1.212 29 G CA -0.167 44.876 45.100 -0.096 0.000 0.874 29 G HN 0.503 nan 8.290 nan 0.000 0.561 30 K N 0.331 120.696 120.400 -0.059 0.000 2.326 30 K HA 0.306 4.626 4.320 -0.001 0.000 0.275 30 K C 1.367 177.941 176.600 -0.044 0.000 1.018 30 K CA 0.141 56.400 56.287 -0.048 0.000 0.962 30 K CB 1.361 33.840 32.500 -0.034 0.000 0.953 30 K HN 0.422 nan 8.250 nan 0.000 0.475 31 A N 3.178 125.974 122.820 -0.039 0.000 1.978 31 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 31 A C 1.946 179.520 177.584 -0.016 0.000 1.170 31 A CA 1.312 53.334 52.037 -0.026 0.000 0.636 31 A CB -0.396 18.590 19.000 -0.023 0.000 0.810 31 A HN 0.725 nan 8.150 nan 0.000 0.448 32 L N 0.164 121.375 121.223 -0.019 0.000 2.012 32 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 32 L C 1.692 178.563 176.870 0.002 0.000 1.073 32 L CA 2.556 57.390 54.840 -0.009 0.000 0.748 32 L CB -0.633 41.420 42.059 -0.011 0.000 0.891 32 L HN 0.359 nan 8.230 nan 0.000 0.431 33 D N -0.254 120.143 120.400 -0.005 0.000 2.144 33 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 33 D C 2.157 178.459 176.300 0.003 0.000 0.978 33 D CA 1.448 55.447 54.000 -0.001 0.000 0.833 33 D CB -0.084 40.708 40.800 -0.013 0.000 0.961 33 D HN 0.517 nan 8.370 nan 0.000 0.470 34 A N 1.073 123.889 122.820 -0.005 0.000 1.877 34 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 34 A C 2.523 180.126 177.584 0.031 0.000 1.186 34 A CA 2.172 54.212 52.037 0.005 0.000 0.620 34 A CB -0.862 18.132 19.000 -0.010 0.000 0.822 34 A HN 0.236 nan 8.150 nan 0.000 0.443 35 V N -1.795 118.139 119.914 0.032 0.000 2.548 35 V HA -0.184 3.935 4.120 -0.001 0.000 0.249 35 V C 2.133 178.255 176.094 0.047 0.000 1.055 35 V CA 2.308 64.636 62.300 0.047 0.000 1.065 35 V CB -0.886 30.962 31.823 0.042 0.000 0.681 35 V HN 0.683 nan 8.190 nan 0.000 0.462 36 E N 1.227 121.451 120.200 0.040 0.000 2.047 36 E HA -0.286 4.064 4.350 -0.001 0.000 0.191 36 E C 2.356 178.984 176.600 0.046 0.000 0.987 36 E CA 1.639 58.066 56.400 0.045 0.000 0.799 36 E CB -0.243 29.484 29.700 0.045 0.000 0.752 36 E HN 0.695 nan 8.360 nan 0.000 0.449 37 K N -0.149 120.276 120.400 0.041 0.000 2.103 37 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 37 K C 2.084 178.716 176.600 0.052 0.000 1.048 37 K CA 1.503 57.815 56.287 0.041 0.000 0.930 37 K CB -0.392 32.127 32.500 0.032 0.000 0.716 37 K HN 0.229 nan 8.250 nan 0.000 0.444 38 G N 0.763 109.600 108.800 0.061 0.000 2.433 38 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.216 38 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.216 38 G C 1.474 176.417 174.900 0.071 0.000 1.186 38 G CA 1.204 46.351 45.100 0.078 0.000 0.779 38 G HN 0.323 nan 8.290 nan 0.000 0.543 39 V N -1.494 118.456 119.914 0.060 0.000 2.871 39 V HA 0.133 4.253 4.120 -0.001 0.000 0.256 39 V C 2.473 178.579 176.094 0.020 0.000 1.082 39 V CA 1.475 63.798 62.300 0.039 0.000 1.105 39 V CB -0.518 31.331 31.823 0.044 0.000 0.713 39 V HN 0.269 nan 8.190 nan 0.000 0.473 40 R N -0.165 120.356 120.500 0.035 0.000 2.120 40 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 40 R C 2.247 178.564 176.300 0.027 0.000 1.123 40 R CA 1.720 57.841 56.100 0.034 0.000 0.975 40 R CB -0.565 29.763 30.300 0.046 0.000 0.866 40 R HN 0.548 nan 8.270 nan 0.000 0.446 41 L N 0.577 121.820 121.223 0.033 0.000 2.042 41 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 41 L C 1.971 178.845 176.870 0.008 0.000 1.076 41 L CA 1.654 56.515 54.840 0.035 0.000 0.749 41 L CB -0.176 41.921 42.059 0.062 0.000 0.893 41 L HN -0.088 nan 8.230 nan 0.000 0.432 42 V N -0.600 119.292 119.914 -0.036 0.000 2.453 42 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 42 V C 2.404 178.435 176.094 -0.104 0.000 1.048 42 V CA 1.715 63.934 62.300 -0.134 0.000 1.049 42 V CB -0.670 30.968 31.823 -0.308 0.000 0.672 42 V HN 0.481 nan 8.190 nan 0.000 0.457 43 E N 0.190 120.360 120.200 -0.051 0.000 2.110 43 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 43 E C 1.838 178.470 176.600 0.053 0.000 0.988 43 E CA 1.452 57.846 56.400 -0.009 0.000 0.804 43 E CB -0.166 29.541 29.700 0.010 0.000 0.745 43 E HN 0.568 nan 8.360 nan 0.000 0.458 44 D N 0.821 121.254 120.400 0.055 0.000 2.224 44 D HA -0.084 4.555 4.640 -0.001 0.000 0.205 44 D C 0.393 176.785 176.300 0.154 0.000 0.965 44 D CA 0.721 54.782 54.000 0.103 0.000 0.852 44 D CB -0.179 40.659 40.800 0.063 0.000 0.947 44 D HN -0.002 nan 8.370 nan 0.000 0.494 45 D N 0.118 120.556 120.400 0.063 0.000 2.344 45 D HA 0.042 4.682 4.640 -0.001 0.000 0.253 45 D C -1.718 174.554 176.300 -0.047 0.000 1.255 45 D CA -1.929 52.083 54.000 0.020 0.000 0.894 45 D CB 1.668 42.455 40.800 -0.022 0.000 1.067 45 D HN -0.060 nan 8.370 nan 0.000 0.492 46 P HA -0.110 nan 4.420 nan 0.000 0.220 46 P C 1.212 178.373 177.300 -0.231 0.000 1.148 46 P CA 1.207 64.078 63.100 -0.383 0.000 0.803 46 P CB 0.102 31.518 31.700 -0.474 0.000 0.782 47 T N -4.444 110.033 114.554 -0.128 0.000 3.085 47 T HA 0.005 4.354 4.350 -0.001 0.000 0.263 47 T C 0.763 175.419 174.700 -0.072 0.000 1.127 47 T CA 0.514 62.562 62.100 -0.086 0.000 1.103 47 T CB -0.484 68.355 68.868 -0.048 0.000 0.921 47 T HN -0.078 nan 8.240 nan 0.000 0.510 48 E N 2.096 122.240 120.200 -0.094 0.000 2.001 48 E HA 0.257 4.606 4.350 -0.001 0.000 0.279 48 E C 0.576 177.096 176.600 -0.133 0.000 1.045 48 E CA -0.354 55.980 56.400 -0.109 0.000 0.833 48 E CB 0.768 30.344 29.700 -0.207 0.000 1.077 48 E HN 0.307 nan 8.360 nan 0.000 0.397 49 R N 0.787 121.222 120.500 -0.109 0.000 2.323 49 R HA 0.063 4.402 4.340 -0.001 0.000 0.198 49 R C 0.542 176.765 176.300 -0.128 0.000 0.988 49 R CA 0.142 56.172 56.100 -0.116 0.000 1.041 49 R CB 0.095 30.339 30.300 -0.092 0.000 0.926 49 R HN 0.091 nan 8.270 nan 0.000 0.476 50 S N -0.191 115.423 115.700 -0.144 0.000 2.730 50 S HA 0.223 4.693 4.470 -0.001 0.000 0.244 50 S C -0.214 174.302 174.600 -0.139 0.000 1.022 50 S CA -0.331 57.780 58.200 -0.149 0.000 1.014 50 S CB 1.150 64.214 63.200 -0.227 0.000 0.963 50 S HN -0.116 nan 8.310 nan 0.000 0.540 51 V N 1.075 120.901 119.914 -0.147 0.000 2.668 51 V HA 0.687 4.807 4.120 -0.001 0.000 0.304 51 V C 0.895 176.939 176.094 -0.083 0.000 1.071 51 V CA -0.297 61.925 62.300 -0.129 0.000 0.894 51 V CB 0.907 32.602 31.823 -0.212 0.000 1.008 51 V HN 0.466 nan 8.190 nan 0.000 0.425 52 G N 3.724 112.500 108.800 -0.041 0.000 2.652 52 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.318 52 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.318 52 G C -0.026 174.914 174.900 0.065 0.000 1.295 52 G CA 0.994 46.101 45.100 0.011 0.000 0.999 52 G HN 1.309 nan 8.290 nan 0.000 0.548 53 Y N 2.881 123.153 120.300 -0.046 0.000 2.717 53 Y HA 0.342 4.891 4.550 -0.001 0.000 0.330 53 Y C 1.612 177.487 175.900 -0.041 0.000 1.217 53 Y CA 0.976 59.056 58.100 -0.033 0.000 1.506 53 Y CB 0.314 38.763 38.460 -0.019 0.000 1.268 53 Y HN 2.182 nan 8.280 nan 0.000 0.561 54 G N 3.209 111.833 108.800 -0.294 0.000 2.176 54 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.253 54 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.253 54 G C 0.552 175.353 174.900 -0.165 0.000 0.979 54 G CA 0.061 44.955 45.100 -0.343 0.000 0.641 54 G HN 1.289 nan 8.290 nan 0.000 0.530 55 G N 0.001 108.738 108.800 -0.105 0.000 2.441 55 G HA2 0.474 4.434 3.960 -0.001 0.000 0.243 55 G HA3 0.474 4.434 3.960 -0.001 0.000 0.243 55 G C 0.425 175.253 174.900 -0.119 0.000 1.281 55 G CA -0.389 44.648 45.100 -0.105 0.000 0.854 55 G HN 0.566 nan 8.290 nan 0.000 0.560 56 R N 2.950 123.357 120.500 -0.156 0.000 2.522 56 R HA 0.113 4.453 4.340 -0.001 0.000 0.284 56 R C -1.927 174.222 176.300 -0.253 0.000 1.032 56 R CA -0.850 55.120 56.100 -0.217 0.000 1.049 56 R CB 0.579 30.655 30.300 -0.373 0.000 0.956 56 R HN 0.451 nan 8.270 nan 0.000 0.422 57 P HA 0.008 nan 4.420 nan 0.000 0.277 57 P C -0.901 176.243 177.300 -0.260 0.000 1.271 57 P CA -0.468 62.475 63.100 -0.261 0.000 0.795 57 P CB 0.513 31.986 31.700 -0.378 0.000 1.101 58 D N -0.587 119.691 120.400 -0.202 0.000 2.393 58 D HA 0.001 4.641 4.640 -0.001 0.000 0.246 58 D C 1.340 177.610 176.300 -0.049 0.000 1.275 58 D CA -0.450 53.484 54.000 -0.109 0.000 0.979 58 D CB 0.145 40.931 40.800 -0.024 0.000 1.101 58 D HN 0.402 nan 8.370 nan 0.000 0.505 59 R N -0.898 119.648 120.500 0.077 0.000 2.285 59 R HA -0.071 4.269 4.340 -0.001 0.000 0.213 59 R C -0.173 176.402 176.300 0.457 0.000 1.068 59 R CA 0.862 57.155 56.100 0.321 0.000 1.004 59 R CB -0.364 30.168 30.300 0.385 0.000 0.873 59 R HN 0.263 nan 8.270 nan 0.000 0.467 60 D N 0.320 120.802 120.400 0.136 0.000 2.339 60 D HA 0.115 4.755 4.640 -0.001 0.000 0.217 60 D C 0.921 177.054 176.300 -0.280 0.000 1.050 60 D CA 0.870 54.919 54.000 0.082 0.000 0.856 60 D CB 0.812 41.566 40.800 -0.078 0.000 0.922 60 D HN 0.503 nan 8.370 nan 0.000 0.518 61 G N 1.431 109.684 108.800 -0.912 0.000 2.136 61 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.242 61 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.242 61 G C 0.223 174.651 174.900 -0.787 0.000 0.989 61 G CA -0.346 43.670 45.100 -1.807 0.000 0.682 61 G HN 0.299 nan 8.290 nan 0.000 0.522 62 R N -0.265 119.963 120.500 -0.453 0.000 2.338 62 R HA 0.531 4.871 4.340 -0.001 0.000 0.317 62 R C -0.044 176.132 176.300 -0.207 0.000 0.968 62 R CA -0.768 55.173 56.100 -0.265 0.000 0.849 62 R CB 2.197 32.396 30.300 -0.169 0.000 1.128 62 R HN 0.065 nan 8.270 nan 0.000 0.448 63 V N 3.339 123.141 119.914 -0.186 0.000 2.389 63 V HA 0.158 4.278 4.120 -0.001 0.000 0.264 63 V C 0.410 176.424 176.094 -0.134 0.000 1.049 63 V CA -0.178 62.035 62.300 -0.145 0.000 0.932 63 V CB 0.852 32.614 31.823 -0.102 0.000 1.011 63 V HN 0.889 nan 8.190 nan 0.000 0.475 64 T N 4.526 119.016 114.554 -0.107 0.000 2.812 64 T HA 0.757 5.107 4.350 -0.001 0.000 0.282 64 T C -0.774 173.880 174.700 -0.077 0.000 0.990 64 T CA -0.691 61.352 62.100 -0.095 0.000 0.960 64 T CB 1.126 69.944 68.868 -0.083 0.000 0.948 64 T HN 0.292 nan 8.240 nan 0.000 0.438 65 L N 2.616 123.798 121.223 -0.068 0.000 2.334 65 L HA 0.709 5.048 4.340 -0.001 0.000 0.272 65 L C -0.449 176.397 176.870 -0.040 0.000 1.020 65 L CA -1.131 53.680 54.840 -0.049 0.000 0.812 65 L CB 1.354 43.387 42.059 -0.043 0.000 1.264 65 L HN 0.678 nan 8.230 nan 0.000 0.439 66 D N 1.319 121.705 120.400 -0.023 0.000 2.738 66 D HA 0.754 5.394 4.640 -0.001 0.000 0.237 66 D C -0.956 175.345 176.300 0.001 0.000 1.123 66 D CA -0.255 53.737 54.000 -0.012 0.000 0.856 66 D CB 2.654 43.453 40.800 -0.001 0.000 1.552 66 D HN 0.659 nan 8.370 nan 0.000 0.480 67 A N 0.383 123.206 122.820 0.004 0.000 2.605 67 A HA 0.717 5.036 4.320 -0.001 0.000 0.294 67 A C -0.934 176.664 177.584 0.022 0.000 1.062 67 A CA -0.749 51.298 52.037 0.016 0.000 0.682 67 A CB 1.159 20.163 19.000 0.007 0.000 1.278 67 A HN 0.901 nan 8.150 nan 0.000 0.410 68 C N 0.359 119.681 119.300 0.036 0.000 3.241 68 C HA 0.942 5.402 4.460 -0.001 0.000 0.312 68 C C -0.913 174.103 174.990 0.042 0.000 1.350 68 C CA -0.712 58.330 59.018 0.039 0.000 1.415 68 C CB 0.637 28.407 27.740 0.049 0.000 1.770 68 C HN 1.444 nan 8.230 nan 0.000 0.466 69 I N 1.705 122.298 120.570 0.037 0.000 2.894 69 I HA 0.759 4.929 4.170 -0.001 0.000 0.302 69 I C -1.345 174.781 176.117 0.015 0.000 1.188 69 I CA -0.986 60.332 61.300 0.030 0.000 1.014 69 I CB 2.073 40.093 38.000 0.033 0.000 1.242 69 I HN 1.059 nan 8.210 nan 0.000 0.430 70 M N 6.221 125.817 119.600 -0.008 0.000 2.322 70 M HA 0.349 4.829 4.480 -0.001 0.000 0.286 70 M C -1.819 174.440 176.300 -0.069 0.000 1.111 70 M CA -0.462 54.811 55.300 -0.044 0.000 0.941 70 M CB 1.601 34.151 32.600 -0.084 0.000 1.671 70 M HN 0.690 nan 8.290 nan 0.000 0.470 71 D N 2.924 123.276 120.400 -0.080 0.000 2.539 71 D HA 0.162 4.802 4.640 -0.001 0.000 0.280 71 D C 0.471 176.673 176.300 -0.163 0.000 1.208 71 D CA -0.093 53.852 54.000 -0.091 0.000 1.088 71 D CB 0.211 40.977 40.800 -0.056 0.000 1.149 71 D HN 0.659 nan 8.370 nan 0.000 0.596 72 E N -0.701 119.408 120.200 -0.150 0.000 2.511 72 E HA -0.118 4.232 4.350 -0.001 0.000 0.196 72 E C -0.176 176.242 176.600 -0.303 0.000 1.066 72 E CA 0.312 56.589 56.400 -0.205 0.000 0.871 72 E CB -0.538 29.086 29.700 -0.128 0.000 0.863 72 E HN 0.381 nan 8.360 nan 0.000 0.520 73 N N -0.317 118.224 118.700 -0.265 0.000 2.610 73 N HA 0.087 4.827 4.740 -0.001 0.000 0.307 73 N C -1.204 174.269 175.510 -0.061 0.000 1.813 73 N CA -0.513 52.403 53.050 -0.223 0.000 0.901 73 N CB -0.434 38.046 38.487 -0.011 0.000 1.354 73 N HN 0.074 nan 8.380 nan 0.000 0.491 74 Y N -2.624 117.650 120.300 -0.044 0.000 4.324 74 Y HA -0.362 4.188 4.550 0.000 0.000 0.224 74 Y C -0.366 175.521 175.900 -0.021 0.000 1.113 74 Y CA 0.294 58.370 58.100 -0.040 0.000 1.887 74 Y CB -2.709 35.746 38.460 -0.008 0.000 1.602 74 Y HN 0.334 nan 8.280 nan 0.000 0.654 75 N N 1.344 120.075 118.700 0.051 0.000 2.518 75 N HA 0.704 5.444 4.740 -0.001 0.000 0.283 75 N C -0.164 175.361 175.510 0.024 0.000 1.119 75 N CA -0.256 52.822 53.050 0.046 0.000 0.983 75 N CB 1.236 39.739 38.487 0.028 0.000 1.139 75 N HN 0.402 nan 8.380 nan 0.000 0.465 76 I N -2.571 118.021 120.570 0.037 0.000 2.894 76 I HA 0.882 5.052 4.170 -0.001 0.000 0.302 76 I C -0.440 175.697 176.117 0.033 0.000 1.188 76 I CA -1.139 60.180 61.300 0.033 0.000 1.014 76 I CB 2.447 40.477 38.000 0.049 0.000 1.242 76 I HN 0.484 nan 8.210 nan 0.000 0.430 77 G N 1.315 110.135 108.800 0.033 0.000 2.746 77 G HA2 0.616 4.575 3.960 -0.001 0.000 0.297 77 G HA3 0.616 4.575 3.960 -0.001 0.000 0.297 77 G C -1.816 173.101 174.900 0.028 0.000 1.426 77 G CA -0.547 44.571 45.100 0.030 0.000 0.989 77 G HN 0.843 nan 8.290 nan 0.000 0.520 78 S N -0.313 115.397 115.700 0.017 0.000 2.537 78 S HA 0.764 5.234 4.470 -0.001 0.000 0.270 78 S C -0.805 173.795 174.600 -0.000 0.000 1.142 78 S CA -0.183 58.025 58.200 0.014 0.000 0.870 78 S CB 1.651 64.861 63.200 0.018 0.000 1.112 78 S HN 1.884 nan 8.310 nan 0.000 0.466 79 V N 0.951 120.863 119.914 -0.003 0.000 2.789 79 V HA 1.066 5.185 4.120 -0.001 0.000 0.311 79 V C -0.223 175.859 176.094 -0.019 0.000 1.073 79 V CA -0.544 61.748 62.300 -0.014 0.000 0.921 79 V CB 0.964 32.776 31.823 -0.018 0.000 1.009 79 V HN 1.427 nan 8.190 nan 0.000 0.426 80 A N 2.058 124.861 122.820 -0.028 0.000 2.475 80 A HA 0.718 5.038 4.320 -0.001 0.000 0.301 80 A C 0.202 177.756 177.584 -0.051 0.000 1.059 80 A CA -0.019 51.997 52.037 -0.035 0.000 0.710 80 A CB 1.350 20.331 19.000 -0.032 0.000 1.288 80 A HN 2.529 nan 8.150 nan 0.000 0.408 81 C N 1.380 120.642 119.300 -0.062 0.000 4.056 81 C HA -0.126 4.334 4.460 -0.001 0.000 0.302 81 C C 0.338 175.284 174.990 -0.073 0.000 1.356 81 C CA 1.232 60.199 59.018 -0.085 0.000 2.074 81 C CB -2.607 25.060 27.740 -0.121 0.000 1.328 81 C HN 0.950 nan 8.230 nan 0.000 0.684 82 M N 1.741 121.303 119.600 -0.064 0.000 2.268 82 M HA 0.557 5.037 4.480 -0.001 0.000 0.344 82 M C 0.089 176.336 176.300 -0.089 0.000 1.106 82 M CA -0.054 55.210 55.300 -0.059 0.000 1.010 82 M CB 0.936 33.507 32.600 -0.049 0.000 1.649 82 M HN 0.526 nan 8.290 nan 0.000 0.443 83 E N 2.005 122.134 120.200 -0.119 0.000 2.232 83 E HA 0.352 4.701 4.350 -0.001 0.000 0.264 83 E C -0.413 176.080 176.600 -0.179 0.000 0.973 83 E CA -0.715 55.521 56.400 -0.273 0.000 0.849 83 E CB 0.865 30.242 29.700 -0.538 0.000 1.198 83 E HN 0.878 nan 8.360 nan 0.000 0.407 84 H N -0.806 118.259 119.070 -0.009 0.000 3.631 84 H HA -0.162 4.394 4.556 -0.001 0.000 0.202 84 H C -0.277 175.042 175.328 -0.016 0.000 1.029 84 H CA 0.840 56.882 56.048 -0.010 0.000 1.208 84 H CB -1.142 28.617 29.762 -0.006 0.000 1.124 84 H HN 0.314 nan 8.280 nan 0.000 0.329 85 I N 1.711 122.315 120.570 0.057 0.000 2.355 85 I HA 0.125 4.294 4.170 -0.001 0.000 0.288 85 I C 1.627 177.747 176.117 0.005 0.000 0.999 85 I CA -0.336 60.977 61.300 0.022 0.000 1.163 85 I CB 1.712 39.676 38.000 -0.060 0.000 1.316 85 I HN 0.011 nan 8.210 nan 0.000 0.454 86 K N 5.021 125.432 120.400 0.018 0.000 2.147 86 K HA -0.012 4.308 4.320 -0.001 0.000 0.205 86 K C 0.292 176.909 176.600 0.029 0.000 1.049 86 K CA 1.224 57.520 56.287 0.015 0.000 0.936 86 K CB 0.325 32.806 32.500 -0.031 0.000 0.722 86 K HN 0.524 nan 8.250 nan 0.000 0.446 87 N N 1.483 120.208 118.700 0.041 0.000 2.976 87 N HA 0.108 4.848 4.740 -0.001 0.000 0.255 87 N C -2.318 173.172 175.510 -0.032 0.000 1.312 87 N CA -1.172 51.904 53.050 0.044 0.000 0.897 87 N CB 1.643 40.205 38.487 0.126 0.000 1.184 87 N HN 0.177 nan 8.380 nan 0.000 0.497 88 P HA -0.110 nan 4.420 nan 0.000 0.220 88 P C 1.601 178.864 177.300 -0.061 0.000 1.148 88 P CA 0.390 63.433 63.100 -0.095 0.000 0.803 88 P CB 0.698 32.362 31.700 -0.059 0.000 0.782 89 I N 0.476 121.039 120.570 -0.012 0.000 2.361 89 I HA -0.184 3.986 4.170 -0.001 0.000 0.251 89 I C 2.017 178.155 176.117 0.036 0.000 1.133 89 I CA 1.615 62.925 61.300 0.017 0.000 1.413 89 I CB -0.759 37.261 38.000 0.034 0.000 1.073 89 I HN -0.169 nan 8.210 nan 0.000 0.424 90 S N -0.747 114.987 115.700 0.056 0.000 2.436 90 S HA -0.039 4.431 4.470 -0.001 0.000 0.228 90 S C 2.009 176.663 174.600 0.090 0.000 1.014 90 S CA 1.116 59.411 58.200 0.160 0.000 0.950 90 S CB -0.179 63.234 63.200 0.356 0.000 0.784 90 S HN 0.350 nan 8.310 nan 0.000 0.504 91 V N 2.064 121.828 119.914 -0.250 0.000 2.453 91 V HA -0.107 4.013 4.120 -0.001 0.000 0.247 91 V C 2.654 178.757 176.094 0.014 0.000 1.048 91 V CA 1.508 63.588 62.300 -0.367 0.000 1.049 91 V CB -1.190 30.335 31.823 -0.496 0.000 0.672 91 V HN 0.513 nan 8.190 nan 0.000 0.457 92 A N 0.454 123.277 122.820 0.005 0.000 1.908 92 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 92 A C 2.407 180.041 177.584 0.084 0.000 1.181 92 A CA 2.191 54.256 52.037 0.046 0.000 0.627 92 A CB -0.585 18.431 19.000 0.026 0.000 0.818 92 A HN 0.508 nan 8.150 nan 0.000 0.445 93 R N -0.409 120.148 120.500 0.095 0.000 2.096 93 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 93 R C 2.188 178.581 176.300 0.155 0.000 1.127 93 R CA 1.410 57.575 56.100 0.108 0.000 0.968 93 R CB -0.379 29.985 30.300 0.107 0.000 0.861 93 R HN 0.430 nan 8.270 nan 0.000 0.440 94 A N 0.171 123.131 122.820 0.234 0.000 1.930 94 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 94 A C 2.214 180.047 177.584 0.415 0.000 1.175 94 A CA 1.306 53.555 52.037 0.353 0.000 0.627 94 A CB -0.396 18.850 19.000 0.409 0.000 0.815 94 A HN 0.214 nan 8.150 nan 0.000 0.443 95 V N -0.112 119.982 119.914 0.300 0.000 2.295 95 V HA -0.334 3.785 4.120 -0.001 0.000 0.246 95 V C 2.577 178.670 176.094 -0.002 0.000 1.049 95 V CA 2.371 64.658 62.300 -0.021 0.000 1.024 95 V CB -0.678 31.107 31.823 -0.064 0.000 0.648 95 V HN 0.734 nan 8.190 nan 0.000 0.447 96 M N -0.042 119.588 119.600 0.050 0.000 2.065 96 M HA -0.238 4.242 4.480 -0.001 0.000 0.259 96 M C 2.190 178.516 176.300 0.043 0.000 1.069 96 M CA 2.193 57.516 55.300 0.039 0.000 1.110 96 M CB -0.201 32.427 32.600 0.046 0.000 1.328 96 M HN 0.374 nan 8.290 nan 0.000 0.405 97 E N -0.537 119.708 120.200 0.075 0.000 2.216 97 E HA -0.098 4.252 4.350 -0.001 0.000 0.192 97 E C 1.235 177.882 176.600 0.078 0.000 0.988 97 E CA 0.615 57.057 56.400 0.071 0.000 0.834 97 E CB 0.197 29.945 29.700 0.080 0.000 0.772 97 E HN 0.400 nan 8.360 nan 0.000 0.479 98 K N 0.619 121.094 120.400 0.125 0.000 2.374 98 K HA 0.110 4.430 4.320 -0.001 0.000 0.202 98 K C 0.603 177.247 176.600 0.074 0.000 1.040 98 K CA 0.327 56.701 56.287 0.145 0.000 1.085 98 K CB 1.239 33.914 32.500 0.293 0.000 0.873 98 K HN 0.155 nan 8.250 nan 0.000 0.539 99 T N -2.208 112.324 114.554 -0.037 0.000 2.865 99 T HA 0.479 4.829 4.350 -0.001 0.000 0.294 99 T C -2.597 171.985 174.700 -0.196 0.000 1.119 99 T CA -1.494 60.507 62.100 -0.165 0.000 1.007 99 T CB 2.396 71.070 68.868 -0.324 0.000 1.225 99 T HN -0.290 nan 8.240 nan 0.000 0.515 100 P HA 0.296 nan 4.420 nan 0.000 0.257 100 P C -0.206 176.900 177.300 -0.322 0.000 1.281 100 P CA 0.122 63.034 63.100 -0.314 0.000 0.826 100 P CB -0.070 31.420 31.700 -0.350 0.000 1.237 101 H N -0.863 118.156 119.070 -0.085 0.000 2.693 101 H HA 0.350 4.905 4.556 -0.001 0.000 0.348 101 H C 1.041 176.321 175.328 -0.079 0.000 1.222 101 H CA -0.663 55.334 56.048 -0.085 0.000 1.270 101 H CB 1.761 31.453 29.762 -0.117 0.000 1.798 101 H HN -0.271 nan 8.280 nan 0.000 0.592 102 V N -2.113 117.853 119.914 0.087 0.000 3.432 102 V HA 0.398 4.518 4.120 -0.001 0.000 0.298 102 V C 0.410 176.510 176.094 0.010 0.000 1.464 102 V CA 0.063 62.383 62.300 0.033 0.000 1.046 102 V CB 0.300 32.145 31.823 0.038 0.000 0.887 102 V HN 0.514 nan 8.190 nan 0.000 0.441 103 M N 1.442 121.038 119.600 -0.007 0.000 2.284 103 M HA 0.604 5.084 4.480 -0.001 0.000 0.281 103 M C -2.597 173.663 176.300 -0.067 0.000 1.083 103 M CA -0.406 54.875 55.300 -0.031 0.000 0.965 103 M CB 2.353 34.938 32.600 -0.025 0.000 1.717 103 M HN 0.148 nan 8.290 nan 0.000 0.479 104 L N 5.608 126.793 121.223 -0.063 0.000 2.386 104 L HA 0.910 5.250 4.340 -0.001 0.000 0.271 104 L C -0.688 176.157 176.870 -0.042 0.000 0.993 104 L CA -1.066 53.733 54.840 -0.068 0.000 0.819 104 L CB 2.112 44.127 42.059 -0.073 0.000 1.294 104 L HN 0.640 nan 8.230 nan 0.000 0.414 105 V N -0.819 119.069 119.914 -0.043 0.000 3.102 105 V HA 1.012 5.132 4.120 -0.001 0.000 0.312 105 V C 0.400 176.476 176.094 -0.031 0.000 1.135 105 V CA 0.226 62.502 62.300 -0.039 0.000 1.022 105 V CB 1.234 33.027 31.823 -0.050 0.000 1.056 105 V HN 0.983 nan 8.190 nan 0.000 0.436 106 G N 1.836 110.613 108.800 -0.037 0.000 2.574 106 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.282 106 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.282 106 G C 0.305 175.206 174.900 0.002 0.000 1.257 106 G CA 0.951 46.035 45.100 -0.027 0.000 0.956 106 G HN 1.070 nan 8.290 nan 0.000 0.560 107 D N 0.522 120.932 120.400 0.018 0.000 2.133 107 D HA -0.109 4.530 4.640 -0.001 0.000 0.192 107 D C 2.560 178.888 176.300 0.047 0.000 1.001 107 D CA 2.484 56.508 54.000 0.039 0.000 0.844 107 D CB -1.077 39.747 40.800 0.041 0.000 0.944 107 D HN 0.814 nan 8.370 nan 0.000 0.447 108 G N 0.471 109.293 108.800 0.036 0.000 2.450 108 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.220 108 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.220 108 G C 1.686 176.637 174.900 0.085 0.000 1.130 108 G CA 1.231 46.361 45.100 0.051 0.000 0.760 108 G HN 0.430 nan 8.290 nan 0.000 0.557 109 A N 0.358 123.214 122.820 0.060 0.000 1.898 109 A HA 0.132 4.452 4.320 -0.001 0.000 0.216 109 A C 2.315 179.962 177.584 0.104 0.000 1.181 109 A CA 1.575 53.663 52.037 0.085 0.000 0.620 109 A CB -0.384 18.632 19.000 0.027 0.000 0.819 109 A HN 0.446 nan 8.150 nan 0.000 0.442 110 L N 0.243 121.506 121.223 0.066 0.000 2.056 110 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 110 L C 2.097 179.012 176.870 0.075 0.000 1.078 110 L CA 2.434 57.309 54.840 0.059 0.000 0.749 110 L CB -0.773 41.331 42.059 0.076 0.000 0.901 110 L HN 0.518 nan 8.230 nan 0.000 0.433 111 E N -1.096 119.162 120.200 0.096 0.000 2.085 111 E HA -0.278 4.071 4.350 -0.001 0.000 0.194 111 E C 2.016 178.697 176.600 0.133 0.000 0.994 111 E CA 1.685 58.145 56.400 0.100 0.000 0.801 111 E CB -0.398 29.362 29.700 0.099 0.000 0.743 111 E HN 0.552 nan 8.360 nan 0.000 0.453 112 F N 1.511 121.478 119.950 0.029 0.000 2.113 112 F HA -0.125 4.401 4.527 -0.000 0.000 0.297 112 F C 2.206 178.041 175.800 0.059 0.000 1.103 112 F CA 1.364 59.387 58.000 0.039 0.000 1.248 112 F CB -0.619 38.398 39.000 0.028 0.000 0.999 112 F HN -0.048 nan 8.300 nan 0.000 0.475 113 A N 1.104 123.838 122.820 -0.143 0.000 1.892 113 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 113 A C 2.358 179.939 177.584 -0.006 0.000 1.188 113 A CA 2.210 54.109 52.037 -0.229 0.000 0.631 113 A CB -1.388 17.471 19.000 -0.235 0.000 0.822 113 A HN 0.534 nan 8.150 nan 0.000 0.447 114 L N 0.311 121.538 121.223 0.005 0.000 2.046 114 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 114 L C 2.977 179.841 176.870 -0.011 0.000 1.077 114 L CA 1.626 56.484 54.840 0.029 0.000 0.747 114 L CB -0.603 41.472 42.059 0.028 0.000 0.896 114 L HN 0.635 nan 8.230 nan 0.000 0.432 115 S N -1.052 114.619 115.700 -0.049 0.000 2.442 115 S HA -0.175 4.295 4.470 -0.001 0.000 0.236 115 S C 1.750 176.286 174.600 -0.107 0.000 1.007 115 S CA 0.757 58.925 58.200 -0.054 0.000 0.965 115 S CB -0.180 63.014 63.200 -0.010 0.000 0.773 115 S HN 0.421 nan 8.310 nan 0.000 0.504 116 Q N 0.393 120.091 119.800 -0.170 0.000 2.360 116 Q HA 0.291 4.631 4.340 -0.001 0.000 0.202 116 Q C 1.430 177.348 176.000 -0.136 0.000 0.915 116 Q CA 0.640 56.353 55.803 -0.150 0.000 0.943 116 Q CB 0.291 28.919 28.738 -0.184 0.000 1.064 116 Q HN 0.809 nan 8.270 nan 0.000 0.511 117 G N 0.540 109.285 108.800 -0.090 0.000 2.175 117 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.244 117 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.244 117 G C -0.048 174.749 174.900 -0.172 0.000 0.982 117 G CA -0.340 44.672 45.100 -0.146 0.000 0.641 117 G HN 0.272 nan 8.290 nan 0.000 0.527 118 F N 1.468 121.357 119.950 -0.103 0.000 2.496 118 F HA 0.494 5.020 4.527 -0.001 0.000 0.344 118 F C 1.136 176.899 175.800 -0.062 0.000 1.155 118 F CA 0.054 58.007 58.000 -0.077 0.000 1.302 118 F CB 0.701 39.654 39.000 -0.077 0.000 1.159 118 F HN -0.205 nan 8.300 nan 0.000 0.595 119 K N 2.283 122.754 120.400 0.118 0.000 2.183 119 K HA 0.220 4.540 4.320 -0.001 0.000 0.274 119 K C -0.415 176.214 176.600 0.048 0.000 1.009 119 K CA -0.855 55.459 56.287 0.045 0.000 0.888 119 K CB 1.621 34.119 32.500 -0.004 0.000 1.078 119 K HN 0.520 nan 8.250 nan 0.000 0.459 120 K N 2.598 123.009 120.400 0.018 0.000 2.368 120 K HA 0.057 4.377 4.320 -0.001 0.000 0.282 120 K C -0.582 176.006 176.600 -0.019 0.000 1.035 120 K CA 0.406 56.694 56.287 0.003 0.000 0.973 120 K CB 0.559 33.024 32.500 -0.059 0.000 0.957 120 K HN 0.506 nan 8.250 nan 0.000 0.474 121 E N 2.391 122.597 120.200 0.011 0.000 2.413 121 E HA 0.095 4.444 4.350 -0.001 0.000 0.277 121 E C -1.388 175.246 176.600 0.058 0.000 0.958 121 E CA -1.110 55.281 56.400 -0.016 0.000 0.779 121 E CB 1.273 30.926 29.700 -0.078 0.000 1.278 121 E HN 0.451 nan 8.360 nan 0.000 0.456 122 N N 2.252 120.976 118.700 0.040 0.000 2.415 122 N HA 0.122 4.862 4.740 -0.001 0.000 0.246 122 N C 0.260 175.858 175.510 0.147 0.000 1.078 122 N CA 0.080 53.200 53.050 0.116 0.000 0.942 122 N CB 0.498 39.039 38.487 0.090 0.000 1.140 122 N HN 0.524 nan 8.380 nan 0.000 0.501 123 L N 2.180 123.507 121.223 0.172 0.000 2.492 123 L HA 0.125 4.465 4.340 -0.001 0.000 0.223 123 L C 0.723 177.731 176.870 0.231 0.000 1.132 123 L CA 0.010 55.009 54.840 0.264 0.000 0.850 123 L CB -0.102 42.047 42.059 0.151 0.000 0.966 123 L HN 0.378 nan 8.230 nan 0.000 0.454 124 L N 1.911 123.216 121.223 0.136 0.000 2.295 124 L HA 0.191 4.530 4.340 -0.001 0.000 0.288 124 L C 0.752 177.679 176.870 0.094 0.000 1.079 124 L CA 0.031 54.913 54.840 0.069 0.000 0.830 124 L CB 0.597 42.673 42.059 0.027 0.000 1.200 124 L HN 0.064 nan 8.230 nan 0.000 0.438 125 T N 1.638 116.211 114.554 0.031 0.000 2.828 125 T HA 0.476 4.826 4.350 -0.001 0.000 0.290 125 T C 1.405 176.129 174.700 0.039 0.000 1.019 125 T CA -0.203 61.902 62.100 0.008 0.000 1.031 125 T CB 1.179 69.962 68.868 -0.141 0.000 1.001 125 T HN 0.660 nan 8.240 nan 0.000 0.531 126 A N 0.219 123.066 122.820 0.045 0.000 1.940 126 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 126 A C 2.291 179.912 177.584 0.061 0.000 1.176 126 A CA 1.994 54.067 52.037 0.060 0.000 0.631 126 A CB -1.134 17.896 19.000 0.049 0.000 0.814 126 A HN 1.053 nan 8.150 nan 0.000 0.446 127 E N -0.241 119.978 120.200 0.032 0.000 2.077 127 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 127 E C 2.082 178.724 176.600 0.071 0.000 0.989 127 E CA 1.424 57.846 56.400 0.037 0.000 0.800 127 E CB -0.122 29.578 29.700 0.000 0.000 0.746 127 E HN 0.539 nan 8.360 nan 0.000 0.452 128 S N 0.386 116.121 115.700 0.058 0.000 2.383 128 S HA -0.163 4.307 4.470 -0.001 0.000 0.227 128 S C 1.798 176.525 174.600 0.212 0.000 1.026 128 S CA 1.135 59.396 58.200 0.102 0.000 0.981 128 S CB -0.197 63.020 63.200 0.029 0.000 0.818 128 S HN 0.367 nan 8.310 nan 0.000 0.472 129 E N 1.423 121.741 120.200 0.196 0.000 2.077 129 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 129 E C 2.100 178.887 176.600 0.312 0.000 0.989 129 E CA 1.104 57.691 56.400 0.312 0.000 0.800 129 E CB -0.077 29.762 29.700 0.232 0.000 0.746 129 E HN 0.383 nan 8.360 nan 0.000 0.452 130 K N 0.550 121.065 120.400 0.191 0.000 2.009 130 K HA -0.219 4.101 4.320 -0.001 0.000 0.210 130 K C 2.037 178.726 176.600 0.149 0.000 1.049 130 K CA 1.871 58.239 56.287 0.134 0.000 0.929 130 K CB -0.043 32.512 32.500 0.091 0.000 0.714 130 K HN 0.133 nan 8.250 nan 0.000 0.440 131 E N -0.581 119.735 120.200 0.193 0.000 2.110 131 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 131 E C 1.656 178.436 176.600 0.299 0.000 0.988 131 E CA 1.320 57.858 56.400 0.229 0.000 0.804 131 E CB -0.205 29.651 29.700 0.259 0.000 0.745 131 E HN 0.480 nan 8.360 nan 0.000 0.458 132 W N 2.131 123.542 121.300 0.185 0.000 2.379 132 W HA -0.143 4.516 4.660 -0.000 0.000 0.307 132 W C 1.679 178.271 176.519 0.121 0.000 1.200 132 W CA 1.346 58.786 57.345 0.159 0.000 1.297 132 W CB -0.103 29.488 29.460 0.218 0.000 1.140 132 W HN -0.192 nan 8.180 nan 0.000 0.507 133 K N -0.182 120.096 120.400 -0.202 0.000 2.097 133 K HA -0.241 4.079 4.320 -0.001 0.000 0.206 133 K C 1.870 178.313 176.600 -0.261 0.000 1.049 133 K CA 1.771 57.792 56.287 -0.443 0.000 0.933 133 K CB -0.344 32.019 32.500 -0.228 0.000 0.717 133 K HN 0.074 nan 8.250 nan 0.000 0.442 134 E N 0.571 120.712 120.200 -0.098 0.000 2.072 134 E HA -0.203 4.147 4.350 -0.001 0.000 0.191 134 E C 1.635 178.183 176.600 -0.088 0.000 0.985 134 E CA 1.196 57.557 56.400 -0.066 0.000 0.801 134 E CB -0.331 29.376 29.700 0.012 0.000 0.750 134 E HN 0.389 nan 8.360 nan 0.000 0.452 135 W N 0.748 121.886 121.300 -0.271 0.000 2.363 135 W HA -0.104 4.555 4.660 -0.001 0.000 0.296 135 W C 1.611 177.934 176.519 -0.325 0.000 1.212 135 W CA 1.508 58.645 57.345 -0.345 0.000 1.260 135 W CB -0.250 28.773 29.460 -0.727 0.000 1.131 135 W HN 0.115 nan 8.180 nan 0.000 0.530 136 L N 0.981 121.994 121.223 -0.351 0.000 2.187 136 L HA -0.267 4.073 4.340 -0.001 0.000 0.213 136 L C 2.421 179.005 176.870 -0.478 0.000 1.100 136 L CA 1.576 56.123 54.840 -0.488 0.000 0.765 136 L CB -0.740 41.047 42.059 -0.454 0.000 0.904 136 L HN 0.012 nan 8.230 nan 0.000 0.437 137 K N -0.505 119.668 120.400 -0.380 0.000 2.074 137 K HA -0.194 4.126 4.320 -0.001 0.000 0.209 137 K C 1.891 178.303 176.600 -0.313 0.000 1.048 137 K CA 2.063 58.178 56.287 -0.287 0.000 0.926 137 K CB -0.275 32.099 32.500 -0.210 0.000 0.713 137 K HN 0.487 nan 8.250 nan 0.000 0.444 138 T N -3.992 110.306 114.554 -0.426 0.000 2.959 138 T HA 0.107 4.457 4.350 -0.001 0.000 0.254 138 T C 0.527 174.913 174.700 -0.522 0.000 1.003 138 T CA -0.089 61.785 62.100 -0.376 0.000 0.950 138 T CB 0.305 69.011 68.868 -0.270 0.000 1.090 138 T HN -0.002 nan 8.240 nan 0.000 0.503 139 S N 2.205 117.300 115.700 -1.008 0.000 3.550 139 S HA -0.132 4.338 4.470 -0.001 0.000 0.372 139 S C -0.324 173.962 174.600 -0.523 0.000 0.966 139 S CA 0.224 57.612 58.200 -1.354 0.000 1.229 139 S CB -1.364 61.403 63.200 -0.722 0.000 0.917 139 S HN 0.676 nan 8.310 nan 0.000 0.496 140 Q N 0.856 120.450 119.800 -0.344 0.000 2.360 140 Q HA 0.302 4.641 4.340 -0.001 0.000 0.254 140 Q C -0.374 175.922 176.000 0.493 0.000 0.975 140 Q CA -0.245 55.614 55.803 0.093 0.000 0.912 140 Q CB 0.773 29.530 28.738 0.031 0.000 1.212 140 Q HN 0.556 nan 8.270 nan 0.000 0.452 141 Y N 3.075 123.605 120.300 0.383 0.000 2.452 141 Y HA 0.161 4.711 4.550 -0.001 0.000 0.348 141 Y C -0.398 175.647 175.900 0.241 0.000 0.985 141 Y CA -0.028 58.312 58.100 0.400 0.000 1.214 141 Y CB 0.535 39.187 38.460 0.320 0.000 1.136 141 Y HN 0.317 nan 8.280 nan 0.000 0.523 142 K N 7.638 127.928 120.400 -0.184 0.000 2.895 142 K HA 0.268 4.587 4.320 -0.001 0.000 0.191 142 K C -2.779 173.677 176.600 -0.241 0.000 1.117 142 K CA -1.702 54.477 56.287 -0.179 0.000 0.988 142 K CB 0.979 33.480 32.500 0.002 0.000 1.181 142 K HN 0.467 nan 8.250 nan 0.000 0.598 143 P HA -0.041 nan 4.420 nan 0.000 0.255 143 P C -0.658 176.675 177.300 0.055 0.000 1.173 143 P CA 0.306 63.273 63.100 -0.222 0.000 0.780 143 P CB 0.273 31.890 31.700 -0.139 0.000 0.758 144 I N 3.396 123.964 120.570 -0.003 0.000 2.433 144 I HA 0.386 4.556 4.170 -0.001 0.000 0.292 144 I C -1.069 175.032 176.117 -0.026 0.000 1.001 144 I CA -1.077 60.246 61.300 0.039 0.000 1.119 144 I CB 1.683 39.697 38.000 0.023 0.000 1.289 144 I HN -0.101 nan 8.210 nan 0.000 0.438 145 V N 8.760 128.655 119.914 -0.032 0.000 2.384 145 V HA 0.584 4.704 4.120 -0.001 0.000 0.287 145 V C -0.308 175.779 176.094 -0.011 0.000 1.020 145 V CA -0.332 61.932 62.300 -0.060 0.000 0.850 145 V CB 1.159 32.924 31.823 -0.096 0.000 0.987 145 V HN 0.995 nan 8.190 nan 0.000 0.436 146 N N 3.343 121.911 118.700 -0.219 0.000 3.856 146 N HA 0.069 4.808 4.740 -0.001 0.000 0.237 146 N C 0.349 175.499 175.510 -0.601 0.000 1.351 146 N CA -0.956 51.932 53.050 -0.269 0.000 0.805 146 N CB 1.281 39.744 38.487 -0.038 0.000 1.487 146 N HN 0.296 nan 8.380 nan 0.000 0.431 147 I N 0.700 121.000 120.570 -0.450 0.000 2.300 147 I HA -0.168 4.002 4.170 -0.001 0.000 0.252 147 I C 0.757 176.706 176.117 -0.280 0.000 1.119 147 I CA 1.735 62.785 61.300 -0.415 0.000 1.384 147 I CB -0.519 37.379 38.000 -0.171 0.000 1.062 147 I HN 0.509 nan 8.210 nan 0.000 0.426 148 E N -0.005 120.080 120.200 -0.191 0.000 2.254 148 E HA 0.349 4.698 4.350 -0.001 0.000 0.261 148 E C 0.400 176.911 176.600 -0.148 0.000 1.051 148 E CA -0.181 56.144 56.400 -0.124 0.000 0.902 148 E CB 0.567 30.227 29.700 -0.066 0.000 1.168 148 E HN 0.339 nan 8.360 nan 0.000 0.423 149 N N -0.324 118.317 118.700 -0.098 0.000 1.243 149 N HA -0.276 4.463 4.740 -0.001 0.000 0.121 149 N C -0.491 174.945 175.510 -0.124 0.000 0.850 149 N CA 1.078 54.078 53.050 -0.083 0.000 0.883 149 N CB -0.800 37.653 38.487 -0.056 0.000 1.027 149 N HN 0.601 nan 8.380 nan 0.000 0.616 150 H N 3.056 122.001 119.070 -0.208 0.000 2.610 150 H HA 0.358 4.914 4.556 -0.001 0.000 0.336 150 H C -0.320 174.820 175.328 -0.313 0.000 1.087 150 H CA 0.467 56.377 56.048 -0.230 0.000 1.405 150 H CB 0.087 29.724 29.762 -0.208 0.000 1.460 150 H HN 0.661 nan 8.280 nan 0.000 0.538 151 N N 1.886 119.953 118.700 -1.055 0.000 3.339 151 N HA 0.189 4.928 4.740 -0.001 0.000 0.275 151 N C -1.506 173.669 175.510 -0.558 0.000 1.514 151 N CA -0.656 51.916 53.050 -0.795 0.000 0.879 151 N CB 2.198 40.019 38.487 -1.110 0.000 1.557 151 N HN 0.592 nan 8.380 nan 0.000 0.524 152 T N -2.672 111.875 114.554 -0.011 0.000 2.718 152 T HA 0.548 4.898 4.350 -0.001 0.000 0.306 152 T C -1.397 173.548 174.700 0.408 0.000 1.485 152 T CA -0.851 61.310 62.100 0.102 0.000 0.997 152 T CB 1.410 70.341 68.868 0.105 0.000 1.504 152 T HN 0.624 nan 8.240 nan 0.000 0.497 153 I N 0.522 121.245 120.570 0.255 0.000 2.436 153 I HA 0.730 4.900 4.170 -0.001 0.000 0.289 153 I C -0.175 176.082 176.117 0.232 0.000 1.010 153 I CA -0.577 60.939 61.300 0.360 0.000 1.098 153 I CB 1.256 39.376 38.000 0.199 0.000 1.266 153 I HN 1.083 nan 8.210 nan 0.000 0.434 154 G N 7.583 116.534 108.800 0.250 0.000 2.513 154 G HA2 0.643 4.603 3.960 -0.001 0.000 0.317 154 G HA3 0.643 4.603 3.960 -0.001 0.000 0.317 154 G C -1.469 173.529 174.900 0.164 0.000 1.277 154 G CA -0.656 44.547 45.100 0.171 0.000 0.955 154 G HN 0.624 nan 8.290 nan 0.000 0.484 155 M N 2.913 122.589 119.600 0.127 0.000 2.386 155 M HA 0.712 5.191 4.480 -0.001 0.000 0.293 155 M C -1.510 174.843 176.300 0.088 0.000 1.120 155 M CA -1.018 54.351 55.300 0.115 0.000 0.909 155 M CB 2.225 34.892 32.600 0.112 0.000 1.661 155 M HN 0.580 nan 8.290 nan 0.000 0.452 156 I N 1.474 122.093 120.570 0.081 0.000 2.647 156 I HA 1.029 5.198 4.170 -0.001 0.000 0.295 156 I C -1.346 174.809 176.117 0.063 0.000 1.078 156 I CA -0.740 60.597 61.300 0.061 0.000 1.048 156 I CB 2.099 40.134 38.000 0.059 0.000 1.239 156 I HN 0.787 nan 8.210 nan 0.000 0.421 157 A N 4.617 127.466 122.820 0.048 0.000 2.587 157 A HA 0.839 5.159 4.320 -0.001 0.000 0.293 157 A C -1.987 175.619 177.584 0.037 0.000 1.087 157 A CA -0.597 51.474 52.037 0.057 0.000 0.692 157 A CB 2.086 21.122 19.000 0.061 0.000 1.291 157 A HN 0.772 nan 8.150 nan 0.000 0.407 158 L N 1.977 123.230 121.223 0.050 0.000 2.349 158 L HA 0.632 4.972 4.340 -0.001 0.000 0.278 158 L C -0.516 176.368 176.870 0.023 0.000 0.996 158 L CA -0.329 54.531 54.840 0.034 0.000 0.825 158 L CB 1.261 43.353 42.059 0.054 0.000 1.243 158 L HN 0.870 nan 8.230 nan 0.000 0.412 159 D N 3.590 123.985 120.400 -0.008 0.000 2.506 159 D HA 0.393 5.032 4.640 -0.001 0.000 0.272 159 D C 1.073 177.351 176.300 -0.036 0.000 1.214 159 D CA 0.030 54.007 54.000 -0.037 0.000 1.067 159 D CB 0.676 41.444 40.800 -0.054 0.000 1.117 159 D HN 0.525 nan 8.370 nan 0.000 0.578 160 A N -0.835 121.947 122.820 -0.064 0.000 2.024 160 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 160 A C 1.922 179.488 177.584 -0.031 0.000 1.164 160 A CA 1.500 53.506 52.037 -0.051 0.000 0.643 160 A CB -0.869 18.087 19.000 -0.074 0.000 0.806 160 A HN 0.618 nan 8.150 nan 0.000 0.451 161 Q N -1.746 118.035 119.800 -0.032 0.000 2.444 161 Q HA 0.264 4.604 4.340 -0.001 0.000 0.206 161 Q C 1.073 177.064 176.000 -0.016 0.000 0.948 161 Q CA 0.367 56.156 55.803 -0.023 0.000 0.946 161 Q CB 0.100 28.822 28.738 -0.027 0.000 1.027 161 Q HN 0.874 nan 8.270 nan 0.000 0.513 162 G N 1.317 110.109 108.800 -0.013 0.000 2.137 162 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.237 162 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.237 162 G C -0.360 174.531 174.900 -0.016 0.000 1.002 162 G CA -0.250 44.846 45.100 -0.005 0.000 0.702 162 G HN 0.212 nan 8.290 nan 0.000 0.515 163 N N -0.139 118.546 118.700 -0.025 0.000 2.443 163 N HA 0.684 5.423 4.740 -0.001 0.000 0.295 163 N C 0.257 175.742 175.510 -0.041 0.000 1.076 163 N CA -0.287 52.738 53.050 -0.042 0.000 0.919 163 N CB 1.583 40.041 38.487 -0.048 0.000 1.176 163 N HN 0.270 nan 8.380 nan 0.000 0.487 164 L N 0.674 121.861 121.223 -0.060 0.000 2.344 164 L HA 0.590 4.929 4.340 -0.001 0.000 0.272 164 L C 0.309 177.135 176.870 -0.074 0.000 1.035 164 L CA -0.265 54.542 54.840 -0.055 0.000 0.807 164 L CB 1.365 43.386 42.059 -0.064 0.000 1.237 164 L HN 0.417 nan 8.230 nan 0.000 0.442 165 S N -0.460 115.210 115.700 -0.050 0.000 2.587 165 S HA 0.842 5.311 4.470 -0.001 0.000 0.269 165 S C -0.756 173.832 174.600 -0.020 0.000 1.154 165 S CA -0.551 57.619 58.200 -0.050 0.000 0.824 165 S CB 2.138 65.316 63.200 -0.036 0.000 1.118 165 S HN 0.890 nan 8.310 nan 0.000 0.462 166 G N -0.227 108.564 108.800 -0.014 0.000 2.677 166 G HA2 0.830 4.790 3.960 -0.001 0.000 0.291 166 G HA3 0.830 4.790 3.960 -0.001 0.000 0.291 166 G C -1.806 173.111 174.900 0.029 0.000 1.435 166 G CA -0.111 44.999 45.100 0.017 0.000 0.826 166 G HN 1.075 nan 8.290 nan 0.000 0.491 167 A N -1.148 121.703 122.820 0.051 0.000 2.549 167 A HA 0.776 5.096 4.320 -0.001 0.000 0.297 167 A C -1.227 176.400 177.584 0.072 0.000 1.061 167 A CA -0.474 51.596 52.037 0.055 0.000 0.690 167 A CB 1.597 20.628 19.000 0.052 0.000 1.287 167 A HN 1.894 nan 8.150 nan 0.000 0.402 168 C N 0.893 120.234 119.300 0.068 0.000 2.608 168 C HA 0.918 5.378 4.460 -0.001 0.000 0.325 168 C C -0.382 174.644 174.990 0.059 0.000 1.147 168 C CA 0.374 59.440 59.018 0.079 0.000 1.359 168 C CB 0.821 28.615 27.740 0.089 0.000 1.912 168 C HN 1.325 nan 8.230 nan 0.000 0.466 169 T N 3.008 117.594 114.554 0.054 0.000 2.956 169 T HA 0.775 5.124 4.350 -0.001 0.000 0.312 169 T C -0.948 173.760 174.700 0.014 0.000 1.151 169 T CA -0.001 62.115 62.100 0.026 0.000 1.024 169 T CB 1.864 70.739 68.868 0.011 0.000 1.140 169 T HN 1.044 nan 8.240 nan 0.000 0.473 170 T N 0.530 115.087 114.554 0.005 0.000 2.749 170 T HA 0.529 4.879 4.350 -0.001 0.000 0.310 170 T C 0.360 175.052 174.700 -0.013 0.000 1.496 170 T CA 0.185 62.282 62.100 -0.006 0.000 1.006 170 T CB 1.029 69.919 68.868 0.038 0.000 1.457 170 T HN 0.782 nan 8.240 nan 0.000 0.497 171 S N 0.427 116.113 115.700 -0.024 0.000 2.554 171 S HA 0.576 5.045 4.470 -0.001 0.000 0.226 171 S C 1.262 175.850 174.600 -0.020 0.000 0.980 171 S CA 0.490 58.667 58.200 -0.038 0.000 0.939 171 S CB -0.400 62.759 63.200 -0.067 0.000 0.832 171 S HN 1.921 nan 8.310 nan 0.000 0.486 172 G N 2.440 111.272 108.800 0.053 0.000 2.796 172 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.226 172 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.226 172 G C -0.279 174.661 174.900 0.068 0.000 1.381 172 G CA -0.481 44.673 45.100 0.091 0.000 0.867 172 G HN 0.301 nan 8.290 nan 0.000 0.552 173 M N 0.894 120.431 119.600 -0.104 0.000 2.303 173 M HA 0.417 4.897 4.480 -0.001 0.000 0.350 173 M C 1.317 177.533 176.300 -0.140 0.000 1.518 173 M CA 0.309 55.484 55.300 -0.208 0.000 1.070 173 M CB -0.300 32.224 32.600 -0.126 0.000 1.910 173 M HN 1.505 nan 8.290 nan 0.000 0.458 174 A N 4.661 127.331 122.820 -0.249 0.000 2.567 174 A HA 0.122 4.441 4.320 -0.001 0.000 0.240 174 A C 0.097 177.307 177.584 -0.624 0.000 1.053 174 A CA 0.111 51.756 52.037 -0.654 0.000 0.755 174 A CB -0.742 17.713 19.000 -0.909 0.000 0.978 174 A HN 0.937 nan 8.150 nan 0.000 0.507 175 Y N -0.802 119.336 120.300 -0.270 0.000 4.177 175 Y HA -0.293 4.257 4.550 -0.001 0.000 0.227 175 Y C 1.032 176.788 175.900 -0.240 0.000 1.154 175 Y CA 0.901 58.722 58.100 -0.465 0.000 1.887 175 Y CB -2.217 35.473 38.460 -1.283 0.000 1.594 175 Y HN 0.874 nan 8.280 nan 0.000 0.668 176 K N 0.289 120.637 120.400 -0.086 0.000 2.187 176 K HA 0.442 4.762 4.320 -0.001 0.000 0.247 176 K C 0.379 176.887 176.600 -0.153 0.000 1.019 176 K CA -0.623 55.547 56.287 -0.195 0.000 0.893 176 K CB 0.738 33.174 32.500 -0.107 0.000 1.025 176 K HN 0.204 nan 8.250 nan 0.000 0.500 177 M N 1.780 121.270 119.600 -0.183 0.000 2.248 177 M HA -0.012 4.468 4.480 -0.001 0.000 0.337 177 M C 0.268 176.563 176.300 -0.009 0.000 1.121 177 M CA -0.127 55.135 55.300 -0.063 0.000 1.155 177 M CB 0.126 32.682 32.600 -0.074 0.000 1.514 177 M HN 0.621 nan 8.290 nan 0.000 0.452 178 H N 1.099 120.144 119.070 -0.042 0.000 3.034 178 H HA 0.200 4.756 4.556 -0.000 0.000 0.324 178 H C 1.033 176.334 175.328 -0.045 0.000 1.015 178 H CA 1.647 57.668 56.048 -0.045 0.000 1.429 178 H CB 0.236 29.983 29.762 -0.025 0.000 1.429 178 H HN 0.770 nan 8.280 nan 0.000 0.585 179 G N 4.224 112.696 108.800 -0.547 0.000 2.175 179 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.244 179 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.244 179 G C 0.640 175.421 174.900 -0.199 0.000 0.982 179 G CA 0.102 44.956 45.100 -0.411 0.000 0.641 179 G HN 0.831 nan 8.290 nan 0.000 0.527 180 R N 0.642 121.054 120.500 -0.147 0.000 2.537 180 R HA 0.439 4.779 4.340 -0.001 0.000 0.280 180 R C -0.666 175.586 176.300 -0.079 0.000 1.058 180 R CA 0.338 56.380 56.100 -0.096 0.000 1.057 180 R CB 0.706 30.953 30.300 -0.088 0.000 0.973 180 R HN 0.282 nan 8.270 nan 0.000 0.438 181 V N 4.187 124.069 119.914 -0.054 0.000 2.588 181 V HA 0.467 4.586 4.120 -0.001 0.000 0.304 181 V C 0.828 176.916 176.094 -0.011 0.000 1.042 181 V CA -0.481 61.798 62.300 -0.035 0.000 0.877 181 V CB 1.769 33.571 31.823 -0.035 0.000 0.996 181 V HN 0.990 nan 8.190 nan 0.000 0.425 182 G N 2.110 110.913 108.800 0.005 0.000 2.641 182 G HA2 0.293 4.253 3.960 -0.001 0.000 0.239 182 G HA3 0.293 4.253 3.960 -0.001 0.000 0.239 182 G C 0.624 175.547 174.900 0.039 0.000 1.402 182 G CA 0.457 45.572 45.100 0.025 0.000 1.046 182 G HN 0.699 nan 8.290 nan 0.000 0.565 183 D N -0.930 119.505 120.400 0.057 0.000 2.289 183 D HA -0.054 4.586 4.640 -0.001 0.000 0.207 183 D C 2.101 178.446 176.300 0.074 0.000 0.966 183 D CA 1.006 55.046 54.000 0.067 0.000 0.868 183 D CB -0.366 40.479 40.800 0.074 0.000 0.943 183 D HN 0.189 nan 8.370 nan 0.000 0.514 184 S N 1.387 117.133 115.700 0.076 0.000 2.402 184 S HA -0.082 4.388 4.470 -0.001 0.000 0.233 184 S C -0.868 173.771 174.600 0.065 0.000 1.030 184 S CA 1.518 59.764 58.200 0.077 0.000 1.003 184 S CB -0.796 62.449 63.200 0.076 0.000 0.813 184 S HN 0.479 nan 8.310 nan 0.000 0.477 185 P HA 0.322 nan 4.420 nan 0.000 0.275 185 P C -0.157 177.171 177.300 0.046 0.000 1.310 185 P CA 0.193 63.318 63.100 0.040 0.000 0.904 185 P CB 0.003 31.715 31.700 0.020 0.000 1.381 186 I N 1.890 122.494 120.570 0.057 0.000 2.304 186 I HA 0.197 4.367 4.170 -0.001 0.000 0.291 186 I C 0.775 176.948 176.117 0.094 0.000 1.018 186 I CA -1.107 60.229 61.300 0.061 0.000 1.260 186 I CB 1.065 39.095 38.000 0.050 0.000 1.390 186 I HN -0.247 nan 8.210 nan 0.000 0.475 187 I N 6.005 126.637 120.570 0.104 0.000 2.668 187 I HA 0.034 4.204 4.170 -0.001 0.000 0.285 187 I C 1.422 177.650 176.117 0.185 0.000 1.168 187 I CA 1.011 62.415 61.300 0.174 0.000 1.424 187 I CB -0.150 37.955 38.000 0.174 0.000 1.377 187 I HN 1.003 nan 8.210 nan 0.000 0.560 188 G N 4.678 113.648 108.800 0.282 0.000 2.234 188 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.235 188 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.235 188 G C 0.721 175.702 174.900 0.134 0.000 0.997 188 G CA 0.632 45.815 45.100 0.138 0.000 0.623 188 G HN 0.817 nan 8.290 nan 0.000 0.514 189 A N 0.103 123.010 122.820 0.145 0.000 2.265 189 A HA 0.683 5.002 4.320 -0.001 0.000 0.226 189 A C 2.527 180.221 177.584 0.182 0.000 1.937 189 A CA 1.453 53.577 52.037 0.145 0.000 0.771 189 A CB -0.957 18.104 19.000 0.101 0.000 1.421 189 A HN 1.431 nan 8.150 nan 0.000 0.570 190 G N -1.180 107.708 108.800 0.146 0.000 2.443 190 G HA2 0.304 4.263 3.960 -0.001 0.000 0.219 190 G HA3 0.304 4.263 3.960 -0.001 0.000 0.219 190 G C 0.239 175.239 174.900 0.167 0.000 1.131 190 G CA 1.452 46.636 45.100 0.139 0.000 0.775 190 G HN 0.660 nan 8.290 nan 0.000 0.547 191 L N -1.863 119.474 121.223 0.189 0.000 2.505 191 L HA 0.795 5.135 4.340 -0.001 0.000 0.259 191 L C -2.173 174.872 176.870 0.291 0.000 0.952 191 L CA -1.143 53.815 54.840 0.198 0.000 0.840 191 L CB 2.297 44.435 42.059 0.131 0.000 1.358 191 L HN 0.010 nan 8.230 nan 0.000 0.409 192 F N 4.375 124.381 119.950 0.093 0.000 2.622 192 F HA 0.765 5.291 4.527 -0.001 0.000 0.318 192 F C -1.689 174.152 175.800 0.067 0.000 1.135 192 F CA -0.495 57.562 58.000 0.096 0.000 1.015 192 F CB 1.931 41.013 39.000 0.136 0.000 1.275 192 F HN 0.262 nan 8.300 nan 0.000 0.457 193 V N 4.543 123.981 119.914 -0.794 0.000 2.577 193 V HA 0.416 4.535 4.120 -0.001 0.000 0.303 193 V C -1.509 174.174 176.094 -0.685 0.000 1.042 193 V CA -0.635 61.355 62.300 -0.517 0.000 0.872 193 V CB 1.815 33.452 31.823 -0.310 0.000 0.998 193 V HN 0.657 nan 8.190 nan 0.000 0.423 194 D N 3.405 123.594 120.400 -0.352 0.000 2.542 194 D HA 0.240 4.880 4.640 -0.001 0.000 0.252 194 D C 0.613 176.819 176.300 -0.157 0.000 1.222 194 D CA -0.432 53.451 54.000 -0.194 0.000 0.895 194 D CB 1.680 42.548 40.800 0.114 0.000 1.207 194 D HN 0.417 nan 8.370 nan 0.000 0.558 195 N N 2.197 120.734 118.700 -0.273 0.000 2.443 195 N HA -0.135 4.604 4.740 -0.001 0.000 0.184 195 N C 0.870 176.344 175.510 -0.061 0.000 1.037 195 N CA 0.971 53.916 53.050 -0.174 0.000 0.896 195 N CB 0.366 38.714 38.487 -0.231 0.000 0.959 195 N HN 0.407 nan 8.380 nan 0.000 0.442 196 E N -0.930 119.269 120.200 -0.002 0.000 2.474 196 E HA 0.140 4.489 4.350 -0.001 0.000 0.194 196 E C 1.142 177.763 176.600 0.035 0.000 1.041 196 E CA 0.216 56.639 56.400 0.038 0.000 0.874 196 E CB 0.698 30.449 29.700 0.085 0.000 0.914 196 E HN 0.521 nan 8.360 nan 0.000 0.498 197 I N -1.597 118.991 120.570 0.030 0.000 3.669 197 I HA 0.305 4.475 4.170 -0.001 0.000 0.255 197 I C 1.094 177.224 176.117 0.022 0.000 1.144 197 I CA 0.329 61.649 61.300 0.033 0.000 1.447 197 I CB 0.914 38.949 38.000 0.058 0.000 1.622 197 I HN 0.033 nan 8.210 nan 0.000 0.435 198 G N 0.544 109.356 108.800 0.019 0.000 2.317 198 G HA2 0.649 4.609 3.960 -0.001 0.000 0.293 198 G HA3 0.649 4.609 3.960 -0.001 0.000 0.293 198 G C -2.162 172.746 174.900 0.013 0.000 1.287 198 G CA 0.099 45.209 45.100 0.017 0.000 0.850 198 G HN 0.413 nan 8.290 nan 0.000 0.515 199 A N -1.403 121.433 122.820 0.026 0.000 2.515 199 A HA 1.134 5.454 4.320 -0.001 0.000 0.296 199 A C -0.280 177.346 177.584 0.070 0.000 1.094 199 A CA 0.269 52.324 52.037 0.030 0.000 0.718 199 A CB 1.586 20.586 19.000 -0.001 0.000 1.307 199 A HN 2.593 nan 8.150 nan 0.000 0.408 200 A N -0.129 122.756 122.820 0.108 0.000 2.574 200 A HA 0.874 5.194 4.320 -0.001 0.000 0.297 200 A C -0.616 177.071 177.584 0.172 0.000 1.062 200 A CA 0.063 52.178 52.037 0.130 0.000 0.686 200 A CB 1.538 20.606 19.000 0.113 0.000 1.285 200 A HN 1.709 nan 8.150 nan 0.000 0.403 201 T N -0.267 114.396 114.554 0.182 0.000 2.903 201 T HA 0.772 5.122 4.350 -0.001 0.000 0.299 201 T C -0.653 174.153 174.700 0.178 0.000 1.093 201 T CA 0.392 62.598 62.100 0.178 0.000 1.002 201 T CB 1.429 70.376 68.868 0.131 0.000 1.127 201 T HN 2.059 nan 8.240 nan 0.000 0.488 202 A N 1.883 124.771 122.820 0.114 0.000 2.386 202 A HA 0.913 5.232 4.320 -0.001 0.000 0.308 202 A C -0.309 177.207 177.584 -0.114 0.000 1.128 202 A CA -0.713 51.251 52.037 -0.121 0.000 0.789 202 A CB 2.069 20.927 19.000 -0.237 0.000 1.325 202 A HN 0.833 nan 8.150 nan 0.000 0.437 203 T N -1.085 113.315 114.554 -0.257 0.000 2.932 203 T HA 0.701 5.051 4.350 -0.001 0.000 0.318 203 T C -0.076 174.567 174.700 -0.096 0.000 1.265 203 T CA 0.881 62.952 62.100 -0.049 0.000 1.036 203 T CB 1.202 70.151 68.868 0.135 0.000 1.209 203 T HN 2.605 nan 8.240 nan 0.000 0.484 204 G N 2.465 111.315 108.800 0.083 0.000 2.247 204 G HA2 0.049 4.009 3.960 -0.001 0.000 0.229 204 G HA3 0.049 4.009 3.960 -0.001 0.000 0.229 204 G C -1.343 173.561 174.900 0.007 0.000 1.345 204 G CA -0.806 44.320 45.100 0.045 0.000 1.100 204 G HN 0.902 nan 8.290 nan 0.000 0.473 205 H N 1.575 120.679 119.070 0.056 0.000 3.291 205 H HA 0.374 4.930 4.556 -0.001 0.000 0.256 205 H C 1.771 177.105 175.328 0.009 0.000 1.315 205 H CA 1.007 57.064 56.048 0.014 0.000 1.521 205 H CB 0.857 30.620 29.762 0.002 0.000 1.621 205 H HN 0.858 nan 8.280 nan 0.000 0.498 206 G N 2.920 111.770 108.800 0.083 0.000 2.505 206 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.220 206 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.220 206 G C 1.555 176.498 174.900 0.071 0.000 1.145 206 G CA 0.790 45.932 45.100 0.071 0.000 0.761 206 G HN 0.498 nan 8.290 nan 0.000 0.571 207 E N 0.449 120.695 120.200 0.076 0.000 2.130 207 E HA -0.093 4.257 4.350 -0.001 0.000 0.196 207 E C 2.544 179.183 176.600 0.064 0.000 0.998 207 E CA 1.181 57.620 56.400 0.064 0.000 0.806 207 E CB -0.037 29.703 29.700 0.066 0.000 0.738 207 E HN 0.392 nan 8.360 nan 0.000 0.459 208 E N -0.313 119.934 120.200 0.078 0.000 2.158 208 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 208 E C 2.150 178.798 176.600 0.081 0.000 0.982 208 E CA 0.495 56.938 56.400 0.071 0.000 0.823 208 E CB -0.127 29.617 29.700 0.073 0.000 0.766 208 E HN 0.170 nan 8.360 nan 0.000 0.468 209 V N 1.403 121.364 119.914 0.077 0.000 2.453 209 V HA -0.159 3.961 4.120 -0.001 0.000 0.247 209 V C 2.340 178.500 176.094 0.111 0.000 1.048 209 V CA 1.013 63.376 62.300 0.106 0.000 1.049 209 V CB -0.367 31.494 31.823 0.064 0.000 0.672 209 V HN 0.172 nan 8.190 nan 0.000 0.457 210 I N 0.832 121.450 120.570 0.079 0.000 2.179 210 I HA -0.255 3.915 4.170 -0.001 0.000 0.242 210 I C 2.762 178.912 176.117 0.054 0.000 1.088 210 I CA 1.983 63.321 61.300 0.063 0.000 1.357 210 I CB -0.469 37.559 38.000 0.046 0.000 1.051 210 I HN 0.358 nan 8.210 nan 0.000 0.409 211 R N 1.084 121.616 120.500 0.053 0.000 2.189 211 R HA -0.112 4.227 4.340 -0.001 0.000 0.223 211 R C 1.659 177.987 176.300 0.047 0.000 1.092 211 R CA 1.812 57.937 56.100 0.042 0.000 0.989 211 R CB -0.733 29.590 30.300 0.038 0.000 0.876 211 R HN 0.423 nan 8.270 nan 0.000 0.457 212 T N -2.874 111.722 114.554 0.070 0.000 3.054 212 T HA 0.210 4.559 4.350 -0.001 0.000 0.255 212 T C 0.593 175.335 174.700 0.070 0.000 1.035 212 T CA 0.125 62.267 62.100 0.071 0.000 0.941 212 T CB 0.353 69.283 68.868 0.103 0.000 1.026 212 T HN 0.036 nan 8.240 nan 0.000 0.533 213 V N 1.336 121.296 119.914 0.076 0.000 5.820 213 V HA -0.260 3.860 4.120 -0.001 0.000 0.300 213 V C 2.027 178.177 176.094 0.093 0.000 0.585 213 V CA 0.372 62.714 62.300 0.069 0.000 0.629 213 V CB -2.819 29.021 31.823 0.029 0.000 0.291 213 V HN 0.692 nan 8.190 nan 0.000 0.887 214 G N 2.008 110.916 108.800 0.181 0.000 2.631 214 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.219 214 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.219 214 G C 1.519 176.440 174.900 0.034 0.000 1.214 214 G CA 2.183 47.436 45.100 0.254 0.000 0.785 214 G HN 1.125 nan 8.290 nan 0.000 0.596 215 T N -2.295 112.384 114.554 0.209 0.000 2.867 215 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 215 T C 2.083 176.815 174.700 0.053 0.000 1.057 215 T CA 1.703 63.886 62.100 0.139 0.000 1.136 215 T CB -0.424 68.616 68.868 0.287 0.000 0.874 215 T HN 0.453 nan 8.240 nan 0.000 0.466 216 H N 1.070 120.058 119.070 -0.137 0.000 2.387 216 H HA 0.106 4.662 4.556 -0.001 0.000 0.299 216 H C 1.992 177.160 175.328 -0.265 0.000 1.090 216 H CA 1.402 57.187 56.048 -0.440 0.000 1.332 216 H CB -0.574 28.862 29.762 -0.543 0.000 1.386 216 H HN 0.294 nan 8.280 nan 0.000 0.516 217 L N -0.155 120.935 121.223 -0.222 0.000 2.017 217 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 217 L C 2.274 178.976 176.870 -0.279 0.000 1.073 217 L CA 1.443 56.133 54.840 -0.250 0.000 0.745 217 L CB -0.886 41.064 42.059 -0.182 0.000 0.894 217 L HN 0.228 nan 8.230 nan 0.000 0.432 218 V N -1.039 118.690 119.914 -0.309 0.000 2.287 218 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 218 V C 2.523 178.519 176.094 -0.163 0.000 1.053 218 V CA 1.778 63.907 62.300 -0.285 0.000 1.027 218 V CB -0.600 31.022 31.823 -0.336 0.000 0.646 218 V HN 0.366 nan 8.190 nan 0.000 0.447 219 V N -0.276 119.577 119.914 -0.103 0.000 2.343 219 V HA -0.231 3.889 4.120 -0.001 0.000 0.247 219 V C 2.538 178.576 176.094 -0.095 0.000 1.051 219 V CA 2.110 64.402 62.300 -0.014 0.000 1.036 219 V CB -0.594 31.367 31.823 0.231 0.000 0.654 219 V HN 0.554 nan 8.190 nan 0.000 0.451 220 E N 0.294 120.344 120.200 -0.250 0.000 2.153 220 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 220 E C 2.024 178.535 176.600 -0.147 0.000 0.988 220 E CA 1.246 57.500 56.400 -0.243 0.000 0.811 220 E CB -0.324 29.146 29.700 -0.384 0.000 0.746 220 E HN 0.560 nan 8.360 nan 0.000 0.466 221 L N -0.529 120.604 121.223 -0.150 0.000 2.056 221 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 221 L C 2.532 179.351 176.870 -0.085 0.000 1.078 221 L CA 1.056 55.826 54.840 -0.116 0.000 0.749 221 L CB -0.354 41.623 42.059 -0.135 0.000 0.901 221 L HN 0.244 nan 8.230 nan 0.000 0.433 222 M N -0.463 119.092 119.600 -0.075 0.000 2.213 222 M HA -0.208 4.272 4.480 -0.001 0.000 0.263 222 M C 1.940 178.221 176.300 -0.031 0.000 1.062 222 M CA 1.505 56.778 55.300 -0.045 0.000 1.105 222 M CB -0.520 32.065 32.600 -0.026 0.000 1.385 222 M HN 0.263 nan 8.290 nan 0.000 0.417 223 N N 0.728 119.408 118.700 -0.032 0.000 2.244 223 N HA -0.150 4.590 4.740 -0.001 0.000 0.183 223 N C 1.002 176.498 175.510 -0.023 0.000 1.016 223 N CA 1.223 54.264 53.050 -0.016 0.000 0.866 223 N CB 0.028 38.507 38.487 -0.013 0.000 0.980 223 N HN 0.397 nan 8.380 nan 0.000 0.430 224 Q N -1.114 118.662 119.800 -0.040 0.000 2.253 224 Q HA 0.265 4.605 4.340 -0.001 0.000 0.210 224 Q C 0.491 176.470 176.000 -0.035 0.000 0.907 224 Q CA 0.287 56.067 55.803 -0.038 0.000 0.948 224 Q CB 0.177 28.885 28.738 -0.050 0.000 1.033 224 Q HN 0.473 nan 8.270 nan 0.000 0.471 225 G N 0.840 109.622 108.800 -0.031 0.000 2.175 225 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.244 225 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.244 225 G C 0.080 174.959 174.900 -0.036 0.000 0.982 225 G CA -0.371 44.712 45.100 -0.029 0.000 0.641 225 G HN 0.203 nan 8.290 nan 0.000 0.527 226 R N 1.575 122.048 120.500 -0.046 0.000 2.539 226 R HA 0.571 4.911 4.340 -0.001 0.000 0.275 226 R C 1.339 177.611 176.300 -0.048 0.000 1.077 226 R CA 0.566 56.633 56.100 -0.054 0.000 1.097 226 R CB 0.479 30.735 30.300 -0.073 0.000 1.018 226 R HN 0.441 nan 8.270 nan 0.000 0.483 227 T N -0.258 114.267 114.554 -0.048 0.000 2.788 227 T HA 0.191 4.540 4.350 -0.001 0.000 0.287 227 T C -1.681 172.992 174.700 -0.046 0.000 1.007 227 T CA -1.498 60.576 62.100 -0.043 0.000 1.005 227 T CB 0.866 69.706 68.868 -0.047 0.000 1.012 227 T HN 0.274 nan 8.240 nan 0.000 0.530 228 P HA -0.139 nan 4.420 nan 0.000 0.215 228 P C 1.859 179.140 177.300 -0.031 0.000 1.157 228 P CA 0.963 64.049 63.100 -0.024 0.000 0.868 228 P CB 0.020 31.722 31.700 0.004 0.000 0.788 229 Q N -0.221 119.560 119.800 -0.032 0.000 2.079 229 Q HA -0.221 4.119 4.340 -0.001 0.000 0.200 229 Q C 2.138 178.108 176.000 -0.050 0.000 0.974 229 Q CA 1.663 57.461 55.803 -0.008 0.000 0.840 229 Q CB -0.292 28.448 28.738 0.003 0.000 0.898 229 Q HN 0.382 nan 8.270 nan 0.000 0.430 230 Q N -0.392 119.363 119.800 -0.075 0.000 2.119 230 Q HA -0.103 4.237 4.340 -0.001 0.000 0.201 230 Q C 2.049 177.966 176.000 -0.138 0.000 0.972 230 Q CA 1.242 56.976 55.803 -0.115 0.000 0.847 230 Q CB -0.164 28.519 28.738 -0.092 0.000 0.903 230 Q HN 0.392 nan 8.270 nan 0.000 0.433 231 A N 0.584 123.335 122.820 -0.114 0.000 1.877 231 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 231 A C 2.339 179.813 177.584 -0.183 0.000 1.186 231 A CA 1.372 53.325 52.037 -0.140 0.000 0.620 231 A CB -1.017 17.913 19.000 -0.117 0.000 0.822 231 A HN 0.497 nan 8.150 nan 0.000 0.443 232 C N -0.808 118.412 119.300 -0.133 0.000 2.429 232 C HA -0.061 4.399 4.460 -0.001 0.000 0.277 232 C C 2.710 177.646 174.990 -0.089 0.000 1.262 232 C CA 1.354 60.319 59.018 -0.088 0.000 1.733 232 C CB -0.986 26.805 27.740 0.086 0.000 2.010 232 C HN 0.729 nan 8.230 nan 0.000 0.483 233 K N 0.933 121.184 120.400 -0.249 0.000 2.025 233 K HA -0.164 4.156 4.320 -0.001 0.000 0.207 233 K C 1.930 178.305 176.600 -0.374 0.000 1.049 233 K CA 1.476 57.370 56.287 -0.656 0.000 0.933 233 K CB -0.184 31.799 32.500 -0.863 0.000 0.714 233 K HN 0.530 nan 8.250 nan 0.000 0.438 234 E N -0.102 119.945 120.200 -0.254 0.000 2.110 234 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 234 E C 1.915 178.429 176.600 -0.144 0.000 0.988 234 E CA 0.933 57.227 56.400 -0.178 0.000 0.804 234 E CB -0.063 29.546 29.700 -0.151 0.000 0.745 234 E HN 0.427 nan 8.360 nan 0.000 0.458 235 A N 0.838 123.545 122.820 -0.188 0.000 1.877 235 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 235 A C 2.491 180.067 177.584 -0.013 0.000 1.186 235 A CA 1.174 53.085 52.037 -0.209 0.000 0.620 235 A CB -0.718 17.939 19.000 -0.573 0.000 0.822 235 A HN 0.119 nan 8.150 nan 0.000 0.443 236 V N 0.229 120.199 119.914 0.094 0.000 2.287 236 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 236 V C 2.332 178.503 176.094 0.129 0.000 1.053 236 V CA 2.369 64.813 62.300 0.240 0.000 1.027 236 V CB -0.891 31.148 31.823 0.359 0.000 0.646 236 V HN 0.656 nan 8.190 nan 0.000 0.447 237 E N -0.549 119.672 120.200 0.034 0.000 2.333 237 E HA -0.243 4.107 4.350 -0.001 0.000 0.198 237 E C 2.322 178.936 176.600 0.022 0.000 1.007 237 E CA 0.887 57.298 56.400 0.019 0.000 0.845 237 E CB -0.129 29.546 29.700 -0.041 0.000 0.766 237 E HN 0.495 nan 8.360 nan 0.000 0.507 238 R N 0.378 120.890 120.500 0.021 0.000 2.100 238 R HA -0.066 4.274 4.340 -0.001 0.000 0.220 238 R C 1.780 178.109 176.300 0.049 0.000 1.091 238 R CA 0.693 56.805 56.100 0.019 0.000 0.986 238 R CB 0.085 30.383 30.300 -0.003 0.000 0.888 238 R HN 0.032 nan 8.270 nan 0.000 0.444 239 I N 0.304 120.926 120.570 0.088 0.000 2.439 239 I HA -0.163 4.006 4.170 -0.001 0.000 0.251 239 I C 2.034 178.196 176.117 0.074 0.000 1.139 239 I CA 0.786 62.144 61.300 0.096 0.000 1.438 239 I CB -0.181 37.903 38.000 0.141 0.000 1.085 239 I HN -0.027 nan 8.210 nan 0.000 0.427 240 V N 1.732 121.692 119.914 0.077 0.000 2.261 240 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 240 V C 2.528 178.648 176.094 0.044 0.000 1.047 240 V CA 2.263 64.602 62.300 0.065 0.000 1.015 240 V CB -0.999 30.868 31.823 0.074 0.000 0.642 240 V HN 0.549 nan 8.190 nan 0.000 0.446 241 K N 0.398 120.819 120.400 0.035 0.000 2.097 241 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 241 K C 2.064 178.678 176.600 0.023 0.000 1.049 241 K CA 2.019 58.320 56.287 0.023 0.000 0.933 241 K CB -0.484 32.024 32.500 0.014 0.000 0.717 241 K HN 0.396 nan 8.250 nan 0.000 0.442 242 I N 1.508 122.094 120.570 0.027 0.000 2.202 242 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 242 I C 2.361 178.492 176.117 0.025 0.000 1.091 242 I CA 0.751 62.066 61.300 0.025 0.000 1.368 242 I CB -0.151 37.868 38.000 0.031 0.000 1.058 242 I HN -0.023 nan 8.210 nan 0.000 0.410 243 V N 1.290 121.222 119.914 0.030 0.000 2.324 243 V HA -0.351 3.769 4.120 -0.001 0.000 0.250 243 V C 2.305 178.410 176.094 0.019 0.000 1.060 243 V CA 2.300 64.614 62.300 0.023 0.000 1.042 243 V CB -0.896 30.943 31.823 0.027 0.000 0.650 243 V HN 0.558 nan 8.190 nan 0.000 0.450 244 N N 0.220 118.933 118.700 0.022 0.000 2.142 244 N HA -0.182 4.558 4.740 -0.001 0.000 0.186 244 N C 2.020 177.539 175.510 0.014 0.000 1.023 244 N CA 1.256 54.317 53.050 0.018 0.000 0.852 244 N CB -0.026 38.473 38.487 0.020 0.000 0.998 244 N HN 0.473 nan 8.380 nan 0.000 0.424 245 R N 0.391 120.899 120.500 0.014 0.000 2.152 245 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 245 R C 1.473 177.780 176.300 0.011 0.000 1.117 245 R CA 0.752 56.859 56.100 0.012 0.000 0.981 245 R CB -0.115 30.191 30.300 0.011 0.000 0.870 245 R HN 0.274 nan 8.270 nan 0.000 0.451 246 R N 0.138 120.645 120.500 0.012 0.000 2.320 246 R HA 0.089 4.429 4.340 -0.001 0.000 0.211 246 R C 0.697 177.002 176.300 0.009 0.000 0.931 246 R CA 0.449 56.556 56.100 0.010 0.000 1.071 246 R CB 0.478 30.784 30.300 0.011 0.000 1.025 246 R HN 0.297 nan 8.270 nan 0.000 0.495 247 G N 2.117 110.923 108.800 0.009 0.000 2.249 247 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.273 247 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.273 247 G C -0.192 174.712 174.900 0.007 0.000 1.036 247 G CA 0.321 45.426 45.100 0.009 0.000 0.824 247 G HN 0.093 nan 8.290 nan 0.000 0.504 248 K N -0.110 120.294 120.400 0.006 0.000 2.139 248 K HA 0.411 4.731 4.320 -0.001 0.000 0.243 248 K C -0.032 176.570 176.600 0.003 0.000 0.983 248 K CA -1.178 55.109 56.287 0.000 0.000 0.890 248 K CB 0.883 33.379 32.500 -0.007 0.000 1.090 248 K HN 0.168 nan 8.250 nan 0.000 0.445 249 N N 2.049 120.747 118.700 -0.002 0.000 2.422 249 N HA 0.038 4.778 4.740 -0.001 0.000 0.266 249 N C 0.776 176.288 175.510 0.003 0.000 1.007 249 N CA -0.183 52.870 53.050 0.004 0.000 0.941 249 N CB 0.918 39.408 38.487 0.004 0.000 1.115 249 N HN 0.374 nan 8.380 nan 0.000 0.492 250 L N 4.702 125.936 121.223 0.018 0.000 2.129 250 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 250 L C 2.027 178.913 176.870 0.028 0.000 1.087 250 L CA 1.718 56.575 54.840 0.028 0.000 0.757 250 L CB -0.362 41.727 42.059 0.048 0.000 0.896 250 L HN 0.548 nan 8.230 nan 0.000 0.434 251 K N -0.171 120.244 120.400 0.026 0.000 2.281 251 K HA -0.148 4.172 4.320 -0.001 0.000 0.203 251 K C 1.379 177.989 176.600 0.017 0.000 1.046 251 K CA 1.437 57.741 56.287 0.028 0.000 0.938 251 K CB -0.264 32.251 32.500 0.024 0.000 0.737 251 K HN 0.447 nan 8.250 nan 0.000 0.458 252 D N -0.230 120.162 120.400 -0.013 0.000 2.340 252 D HA 0.003 4.643 4.640 -0.001 0.000 0.220 252 D C -0.072 176.137 176.300 -0.152 0.000 1.039 252 D CA 0.354 54.318 54.000 -0.060 0.000 0.866 252 D CB 0.384 41.136 40.800 -0.081 0.000 0.913 252 D HN 0.095 nan 8.370 nan 0.000 0.523 253 I N 1.043 121.572 120.570 -0.068 0.000 2.465 253 I HA 0.291 4.461 4.170 -0.001 0.000 0.291 253 I C -0.243 175.959 176.117 0.142 0.000 1.014 253 I CA -0.793 60.478 61.300 -0.048 0.000 1.093 253 I CB 1.855 39.834 38.000 -0.036 0.000 1.267 253 I HN -0.237 nan 8.210 nan 0.000 0.431 254 Q N 5.273 125.284 119.800 0.352 0.000 2.304 254 Q HA 0.735 5.075 4.340 -0.001 0.000 0.270 254 Q C -2.107 173.946 176.000 0.090 0.000 1.035 254 Q CA -0.450 55.468 55.803 0.191 0.000 0.781 254 Q CB 2.196 31.047 28.738 0.187 0.000 1.261 254 Q HN 0.466 nan 8.270 nan 0.000 0.444 255 V N 2.541 122.416 119.914 -0.066 0.000 2.851 255 V HA 0.949 5.069 4.120 -0.001 0.000 0.307 255 V C -0.360 175.451 176.094 -0.471 0.000 1.129 255 V CA -0.240 61.898 62.300 -0.270 0.000 0.932 255 V CB 2.381 34.046 31.823 -0.264 0.000 1.024 255 V HN 0.827 nan 8.190 nan 0.000 0.426 256 G N 2.481 110.800 108.800 -0.801 0.000 2.571 256 G HA2 0.805 4.764 3.960 -0.001 0.000 0.304 256 G HA3 0.805 4.764 3.960 -0.001 0.000 0.304 256 G C -1.743 172.644 174.900 -0.855 0.000 1.314 256 G CA -0.449 44.057 45.100 -0.989 0.000 0.975 256 G HN 0.373 nan 8.290 nan 0.000 0.485 257 F N 0.613 120.399 119.950 -0.274 0.000 2.563 257 F HA 0.656 5.183 4.527 -0.000 0.000 0.316 257 F C 0.432 176.161 175.800 -0.119 0.000 1.076 257 F CA -0.936 56.981 58.000 -0.138 0.000 0.921 257 F CB 2.541 41.510 39.000 -0.053 0.000 1.209 257 F HN 0.509 nan 8.300 nan 0.000 0.462 258 I N 0.489 121.120 120.570 0.101 0.000 2.689 258 I HA 1.017 5.187 4.170 -0.001 0.000 0.299 258 I C -1.194 174.936 176.117 0.023 0.000 1.059 258 I CA -0.841 60.422 61.300 -0.061 0.000 1.055 258 I CB 2.072 39.978 38.000 -0.157 0.000 1.243 258 I HN 0.638 nan 8.210 nan 0.000 0.425 259 A N 4.715 127.536 122.820 0.002 0.000 2.587 259 A HA 0.917 5.237 4.320 -0.001 0.000 0.293 259 A C -1.919 175.712 177.584 0.079 0.000 1.087 259 A CA -0.595 51.468 52.037 0.044 0.000 0.692 259 A CB 2.122 21.136 19.000 0.024 0.000 1.291 259 A HN 0.739 nan 8.150 nan 0.000 0.407 260 L N 1.434 122.704 121.223 0.077 0.000 2.455 260 L HA 0.610 4.949 4.340 -0.001 0.000 0.264 260 L C -0.737 176.172 176.870 0.065 0.000 0.968 260 L CA -0.320 54.580 54.840 0.101 0.000 0.827 260 L CB 2.171 44.288 42.059 0.097 0.000 1.317 260 L HN 1.009 nan 8.230 nan 0.000 0.407 261 N N 1.867 120.605 118.700 0.063 0.000 2.563 261 N HA 0.347 5.087 4.740 -0.001 0.000 0.288 261 N C 0.384 175.917 175.510 0.039 0.000 1.246 261 N CA -0.692 52.381 53.050 0.039 0.000 0.946 261 N CB 0.513 39.015 38.487 0.025 0.000 1.213 261 N HN 0.419 nan 8.380 nan 0.000 0.578 262 K N -0.242 120.174 120.400 0.026 0.000 2.281 262 K HA 0.002 4.322 4.320 -0.001 0.000 0.203 262 K C 0.712 177.330 176.600 0.030 0.000 1.046 262 K CA 1.439 57.739 56.287 0.021 0.000 0.938 262 K CB -0.055 32.454 32.500 0.014 0.000 0.737 262 K HN 0.553 nan 8.250 nan 0.000 0.458 263 K N -1.302 119.119 120.400 0.035 0.000 2.444 263 K HA 0.121 4.441 4.320 -0.001 0.000 0.193 263 K C 0.640 177.277 176.600 0.061 0.000 1.024 263 K CA 0.583 56.894 56.287 0.040 0.000 1.077 263 K CB 0.421 32.938 32.500 0.029 0.000 0.833 263 K HN 0.368 nan 8.250 nan 0.000 0.517 264 G N 2.056 110.903 108.800 0.079 0.000 2.159 264 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.256 264 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.256 264 G C -0.296 174.704 174.900 0.166 0.000 0.977 264 G CA 0.005 45.178 45.100 0.122 0.000 0.652 264 G HN 0.395 nan 8.290 nan 0.000 0.531 265 E N -0.394 119.870 120.200 0.108 0.000 2.366 265 E HA 0.564 4.914 4.350 -0.001 0.000 0.266 265 E C 0.162 176.839 176.600 0.128 0.000 1.051 265 E CA -0.253 56.185 56.400 0.063 0.000 0.884 265 E CB 0.544 30.239 29.700 -0.007 0.000 1.006 265 E HN 0.650 nan 8.360 nan 0.000 0.417 266 Y N -1.005 119.323 120.300 0.045 0.000 2.638 266 Y HA 0.848 5.397 4.550 -0.001 0.000 0.339 266 Y C -0.136 175.777 175.900 0.022 0.000 1.084 266 Y CA -1.008 57.112 58.100 0.034 0.000 1.068 266 Y CB 1.560 40.060 38.460 0.066 0.000 1.294 266 Y HN 0.540 nan 8.280 nan 0.000 0.480 267 G N -0.296 108.592 108.800 0.147 0.000 2.559 267 G HA2 0.780 4.739 3.960 -0.001 0.000 0.291 267 G HA3 0.780 4.739 3.960 -0.001 0.000 0.291 267 G C -2.153 172.712 174.900 -0.058 0.000 1.424 267 G CA -0.451 44.671 45.100 0.038 0.000 0.786 267 G HN 1.508 nan 8.290 nan 0.000 0.485 268 A N -0.997 121.810 122.820 -0.022 0.000 2.608 268 A HA 0.875 5.195 4.320 -0.001 0.000 0.292 268 A C -2.125 175.594 177.584 0.225 0.000 1.066 268 A CA -0.566 51.446 52.037 -0.042 0.000 0.676 268 A CB 1.534 20.252 19.000 -0.471 0.000 1.277 268 A HN 1.972 nan 8.150 nan 0.000 0.413 269 Y N -0.964 119.389 120.300 0.089 0.000 2.641 269 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 269 Y C -0.359 175.606 175.900 0.108 0.000 1.174 269 Y CA -0.151 58.026 58.100 0.128 0.000 1.057 269 Y CB 1.827 40.349 38.460 0.102 0.000 1.322 269 Y HN 1.615 nan 8.280 nan 0.000 0.457 270 C N 2.183 121.444 119.300 -0.066 0.000 3.291 270 C HA 0.595 5.054 4.460 -0.001 0.000 0.316 270 C C 0.889 175.918 174.990 0.066 0.000 1.391 270 C CA -0.890 58.115 59.018 -0.022 0.000 1.394 270 C CB 0.674 28.352 27.740 -0.104 0.000 1.744 270 C HN 0.959 nan 8.230 nan 0.000 0.461 271 I N 0.627 121.242 120.570 0.075 0.000 2.233 271 I HA -0.073 4.097 4.170 -0.001 0.000 0.243 271 I C 1.171 177.377 176.117 0.148 0.000 1.093 271 I CA 1.462 62.844 61.300 0.135 0.000 1.380 271 I CB -0.195 37.865 38.000 0.100 0.000 1.067 271 I HN 0.698 nan 8.210 nan 0.000 0.413 272 Q N 0.436 120.282 119.800 0.077 0.000 2.348 272 Q HA 0.246 4.586 4.340 -0.001 0.000 0.271 272 Q C -0.992 174.908 176.000 -0.166 0.000 1.067 272 Q CA -0.886 54.920 55.803 0.004 0.000 0.839 272 Q CB 2.247 30.989 28.738 0.005 0.000 1.354 272 Q HN 0.005 nan 8.270 nan 0.000 0.447 273 D N -0.575 119.450 120.400 -0.625 0.000 2.400 273 D HA 0.272 4.912 4.640 -0.001 0.000 0.238 273 D C 0.830 176.933 176.300 -0.327 0.000 1.157 273 D CA 1.931 55.380 54.000 -0.918 0.000 0.889 273 D CB 0.601 40.410 40.800 -1.651 0.000 1.199 273 D HN 0.697 nan 8.370 nan 0.000 0.436 274 G N 1.579 110.264 108.800 -0.192 0.000 2.231 274 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.206 274 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.206 274 G C 0.141 175.088 174.900 0.079 0.000 0.996 274 G CA -0.050 45.027 45.100 -0.038 0.000 0.645 274 G HN 0.495 nan 8.290 nan 0.000 0.498 275 F N 3.476 123.359 119.950 -0.112 0.000 2.384 275 F HA 0.664 5.190 4.527 -0.000 0.000 0.338 275 F C 0.230 175.899 175.800 -0.218 0.000 1.103 275 F CA -0.516 57.314 58.000 -0.283 0.000 1.157 275 F CB 0.743 39.482 39.000 -0.436 0.000 1.167 275 F HN 0.428 nan 8.300 nan 0.000 0.529 276 N N 4.216 122.125 118.700 -1.319 0.000 2.525 276 N HA 0.682 5.421 4.740 -0.001 0.000 0.270 276 N C -1.847 172.953 175.510 -1.183 0.000 1.321 276 N CA -0.885 51.597 53.050 -0.946 0.000 0.797 276 N CB 2.622 40.811 38.487 -0.498 0.000 1.529 276 N HN 0.551 nan 8.380 nan 0.000 0.491 277 F N -2.500 117.005 119.950 -0.741 0.000 2.626 277 F HA 0.894 5.421 4.527 -0.000 0.000 0.311 277 F C -1.488 174.134 175.800 -0.296 0.000 1.088 277 F CA -1.234 56.464 58.000 -0.504 0.000 0.949 277 F CB 1.410 40.227 39.000 -0.304 0.000 1.322 277 F HN 0.658 nan 8.300 nan 0.000 0.461 278 A N 1.856 124.574 122.820 -0.170 0.000 2.317 278 A HA 0.748 5.068 4.320 -0.001 0.000 0.327 278 A C -1.435 176.088 177.584 -0.102 0.000 1.178 278 A CA -0.825 51.076 52.037 -0.227 0.000 0.817 278 A CB 1.448 20.354 19.000 -0.157 0.000 1.189 278 A HN 1.402 nan 8.150 nan 0.000 0.489 279 V N 3.654 123.437 119.914 -0.219 0.000 2.656 279 V HA 0.637 4.757 4.120 -0.001 0.000 0.307 279 V C -1.461 174.511 176.094 -0.203 0.000 1.051 279 V CA -0.537 61.639 62.300 -0.208 0.000 0.893 279 V CB 1.760 33.314 31.823 -0.448 0.000 0.999 279 V HN 1.003 nan 8.190 nan 0.000 0.426 280 H N 5.620 124.538 119.070 -0.252 0.000 2.727 280 H HA 0.688 5.244 4.556 -0.001 0.000 0.330 280 H C -1.080 173.980 175.328 -0.447 0.000 0.986 280 H CA -0.306 55.499 56.048 -0.405 0.000 1.251 280 H CB 1.820 31.330 29.762 -0.420 0.000 1.493 280 H HN 1.013 nan 8.280 nan 0.000 0.515 281 D N 1.413 121.719 120.400 -0.157 0.000 3.076 281 D HA 0.016 4.655 4.640 -0.001 0.000 0.301 281 D C 1.098 177.357 176.300 -0.068 0.000 1.260 281 D CA -0.421 53.546 54.000 -0.055 0.000 1.027 281 D CB 0.164 41.016 40.800 0.087 0.000 1.370 281 D HN 0.475 nan 8.370 nan 0.000 0.602 282 Q N -0.307 119.581 119.800 0.147 0.000 2.368 282 Q HA -0.118 4.222 4.340 -0.001 0.000 0.210 282 Q C 1.013 177.042 176.000 0.049 0.000 0.982 282 Q CA 1.246 57.146 55.803 0.162 0.000 0.884 282 Q CB -0.330 28.505 28.738 0.162 0.000 0.933 282 Q HN 0.323 nan 8.270 nan 0.000 0.460 283 K N 0.529 120.921 120.400 -0.014 0.000 2.444 283 K HA 0.195 4.515 4.320 -0.001 0.000 0.193 283 K C 0.371 176.879 176.600 -0.154 0.000 1.024 283 K CA 0.335 56.590 56.287 -0.053 0.000 1.077 283 K CB 0.634 33.113 32.500 -0.034 0.000 0.833 283 K HN 0.427 nan 8.250 nan 0.000 0.517 284 G N 1.424 110.061 108.800 -0.270 0.000 2.549 284 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.404 284 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.404 284 G C -1.377 173.014 174.900 -0.848 0.000 1.292 284 G CA -0.914 43.861 45.100 -0.541 0.000 0.935 284 G HN 0.234 nan 8.290 nan 0.000 0.512 285 N N 0.761 118.850 118.700 -1.020 0.000 2.430 285 N HA 0.752 5.491 4.740 -0.001 0.000 0.292 285 N C 0.302 175.562 175.510 -0.416 0.000 1.051 285 N CA -0.388 52.177 53.050 -0.808 0.000 0.917 285 N CB 0.739 38.747 38.487 -0.799 0.000 1.164 285 N HN 0.939 nan 8.380 nan 0.000 0.484 286 R N 2.465 122.766 120.500 -0.332 0.000 2.716 286 R HA 0.411 4.751 4.340 -0.001 0.000 0.271 286 R C -1.832 174.283 176.300 -0.308 0.000 1.028 286 R CA -0.667 55.271 56.100 -0.270 0.000 0.883 286 R CB 0.338 30.499 30.300 -0.231 0.000 1.250 286 R HN 0.397 nan 8.270 nan 0.000 0.465 287 L N 1.452 122.493 121.223 -0.303 0.000 2.282 287 L HA 0.496 4.835 4.340 -0.001 0.000 0.288 287 L C 0.148 176.748 176.870 -0.450 0.000 1.033 287 L CA -0.427 54.178 54.840 -0.392 0.000 0.807 287 L CB 1.560 43.434 42.059 -0.307 0.000 1.209 287 L HN 0.570 nan 8.230 nan 0.000 0.423 288 E N 1.507 121.261 120.200 -0.743 0.000 2.263 288 E HA 0.509 4.859 4.350 -0.001 0.000 0.264 288 E C -1.060 175.190 176.600 -0.584 0.000 0.923 288 E CA -0.795 55.211 56.400 -0.657 0.000 0.802 288 E CB 2.395 31.674 29.700 -0.702 0.000 1.228 288 E HN 0.382 nan 8.360 nan 0.000 0.417 289 T N 3.322 117.745 114.554 -0.218 0.000 2.786 289 T HA 0.373 4.722 4.350 -0.001 0.000 0.283 289 T C -2.165 172.618 174.700 0.138 0.000 0.992 289 T CA -1.241 60.825 62.100 -0.056 0.000 0.954 289 T CB 1.177 70.016 68.868 -0.047 0.000 0.934 289 T HN 0.338 nan 8.240 nan 0.000 0.440 290 P HA 0.449 nan 4.420 nan 0.000 0.279 290 P C 0.359 177.724 177.300 0.108 0.000 1.276 290 P CA -0.434 62.820 63.100 0.257 0.000 0.801 290 P CB 0.663 32.550 31.700 0.312 0.000 1.127 291 G N -0.474 108.296 108.800 -0.049 0.000 2.606 291 G HA2 0.500 4.460 3.960 -0.001 0.000 0.252 291 G HA3 0.500 4.460 3.960 -0.001 0.000 0.252 291 G C -0.818 173.580 174.900 -0.837 0.000 1.206 291 G CA -0.530 44.377 45.100 -0.321 0.000 0.861 291 G HN 0.531 nan 8.290 nan 0.000 0.561 292 F N -2.005 117.549 119.950 -0.660 0.000 2.588 292 F HA 0.710 5.236 4.527 -0.001 0.000 0.310 292 F C 0.675 176.399 175.800 -0.127 0.000 1.082 292 F CA -0.960 56.729 58.000 -0.518 0.000 0.929 292 F CB 1.464 40.341 39.000 -0.205 0.000 1.254 292 F HN 0.577 nan 8.300 nan 0.000 0.455 293 A N 2.036 124.988 122.820 0.221 0.000 1.898 293 A HA 0.115 4.434 4.320 -0.001 0.000 0.214 293 A C 0.899 178.604 177.584 0.201 0.000 1.183 293 A CA 0.499 52.694 52.037 0.262 0.000 0.622 293 A CB -0.469 18.711 19.000 0.301 0.000 0.824 293 A HN 0.787 nan 8.150 nan 0.000 0.444 294 L N 1.935 123.325 121.223 0.278 0.000 2.454 294 L HA 0.099 4.438 4.340 -0.001 0.000 0.284 294 L C -0.317 176.747 176.870 0.324 0.000 1.139 294 L CA -0.458 54.526 54.840 0.239 0.000 0.911 294 L CB 0.087 42.255 42.059 0.181 0.000 1.262 294 L HN 0.200 nan 8.230 nan 0.000 0.453 295 K N 0.000 120.522 120.400 0.204 0.000 2.780 295 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 295 K CA 0.000 56.403 56.287 0.194 0.000 0.838 295 K CB 0.000 32.542 32.500 0.070 0.000 1.064 295 K HN 0.000 nan 8.250 nan 0.000 0.543