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 1hiz_1_A DATA FIRST_RESID 6 DATA SEQUENCE SYAKKPHISA LNAPQLDQRY KNEFTIGAAV EPYQLQNEKD VQMLKRHFNS DATA SEQUENCE IVAENVMKPI SIQPEEGKFN FEQADRIVKF AKANGMDIRF HTLVWHSQVP DATA SEQUENCE QWFFLDKEGK PMVNETDPVK REQNKQLLLK RLETHIKTIV ERYKDDIKYW DATA SEQUENCE DVVNEVVGDD GKLRNSPWYQ IAGIDYIKVA FQAARKYGGD NIKLYMNDYN DATA SEQUENCE TEVEPKRTAL YNLVKQLKEE GVPIDGIGHQ SHIQIGWPSE AEIEKTINMF DATA SEQUENCE AALGLDNQIT ELDVSMYGWP PRAYPTYDAI PKQKFLDQAA RYDRLFKLYE DATA SEQUENCE KLSDKISNVT FWGIADNHTW LDSRADVYYD ANGNVVVDPN APYAKVEKGK DATA SEQUENCE GKDAPFVFGP DYKVKPAYWA IIDHK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.486 174.600 -0.190 0.000 1.055 6 S CA 0.000 58.079 58.200 -0.202 0.000 1.107 6 S CB 0.000 63.106 63.200 -0.157 0.000 0.593 7 Y N 1.897 122.202 120.300 0.007 0.000 2.569 7 Y HA 0.541 5.091 4.550 -0.001 0.000 0.293 7 Y C 2.097 178.044 175.900 0.078 0.000 1.144 7 Y CA 1.025 59.156 58.100 0.052 0.000 1.321 7 Y CB -1.096 37.483 38.460 0.198 0.000 0.982 7 Y HN 0.466 nan 8.280 nan 0.000 0.558 8 A N 0.541 123.303 122.820 -0.096 0.000 2.067 8 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 8 A C 1.836 179.428 177.584 0.013 0.000 1.156 8 A CA 0.896 52.968 52.037 0.058 0.000 0.683 8 A CB -0.258 18.692 19.000 -0.083 0.000 0.808 8 A HN 0.332 nan 8.150 nan 0.000 0.455 9 K N 0.504 120.851 120.400 -0.089 0.000 2.379 9 K HA 0.148 4.468 4.320 -0.001 0.000 0.194 9 K C 0.312 176.798 176.600 -0.190 0.000 1.031 9 K CA 0.174 56.388 56.287 -0.121 0.000 1.037 9 K CB 0.247 32.672 32.500 -0.125 0.000 0.824 9 K HN 0.238 nan 8.250 nan 0.000 0.516 10 K N 2.454 122.681 120.400 -0.289 0.000 2.469 10 K HA 0.023 4.342 4.320 -0.001 0.000 0.274 10 K C -2.279 174.143 176.600 -0.297 0.000 0.983 10 K CA -0.968 54.975 56.287 -0.573 0.000 0.974 10 K CB -0.240 31.352 32.500 -1.515 0.000 0.913 10 K HN 0.065 nan 8.250 nan 0.000 0.493 11 P HA 0.047 nan 4.420 nan 0.000 0.275 11 P C -0.633 176.881 177.300 0.357 0.000 1.228 11 P CA -0.164 62.941 63.100 0.008 0.000 0.786 11 P CB 0.456 32.173 31.700 0.028 0.000 0.927 12 H N 3.002 122.205 119.070 0.220 0.000 2.970 12 H HA 0.184 4.739 4.556 -0.001 0.000 0.226 12 H C 0.855 176.261 175.328 0.129 0.000 1.909 12 H CA -0.490 55.675 56.048 0.194 0.000 1.388 12 H CB -1.459 28.355 29.762 0.088 0.000 1.773 12 H HN 0.392 nan 8.280 nan 0.000 0.559 13 I N -1.880 118.866 120.570 0.292 0.000 3.194 13 I HA 0.137 4.306 4.170 -0.001 0.000 0.283 13 I C 0.941 177.092 176.117 0.057 0.000 1.199 13 I CA -0.538 60.861 61.300 0.165 0.000 1.328 13 I CB 0.651 38.771 38.000 0.201 0.000 1.404 13 I HN 0.120 nan 8.210 nan 0.000 0.618 14 S N 2.004 117.723 115.700 0.032 0.000 2.549 14 S HA 0.331 4.801 4.470 -0.001 0.000 0.283 14 S C 1.028 175.588 174.600 -0.067 0.000 1.320 14 S CA -0.023 58.173 58.200 -0.006 0.000 1.058 14 S CB 0.965 64.164 63.200 -0.002 0.000 0.882 14 S HN 0.810 nan 8.310 nan 0.000 0.498 15 A N 5.270 128.029 122.820 -0.101 0.000 2.067 15 A HA 0.126 4.445 4.320 -0.001 0.000 0.217 15 A C 1.984 179.522 177.584 -0.077 0.000 1.156 15 A CA 0.603 52.532 52.037 -0.179 0.000 0.683 15 A CB -0.552 18.223 19.000 -0.374 0.000 0.808 15 A HN 0.892 nan 8.150 nan 0.000 0.455 16 L N 0.137 121.301 121.223 -0.097 0.000 2.129 16 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 16 L C 1.841 178.636 176.870 -0.125 0.000 1.087 16 L CA 1.829 56.595 54.840 -0.124 0.000 0.757 16 L CB -0.646 41.342 42.059 -0.119 0.000 0.896 16 L HN 0.738 nan 8.230 nan 0.000 0.434 17 N N -0.928 117.725 118.700 -0.079 0.000 2.171 17 N HA 0.179 4.918 4.740 -0.001 0.000 0.212 17 N C 0.400 175.895 175.510 -0.025 0.000 1.184 17 N CA 0.188 53.200 53.050 -0.063 0.000 0.888 17 N CB 0.122 38.590 38.487 -0.032 0.000 1.038 17 N HN 0.109 nan 8.380 nan 0.000 0.517 18 A N 1.095 123.912 122.820 -0.005 0.000 2.429 18 A HA 0.355 4.674 4.320 -0.001 0.000 0.242 18 A C -2.168 175.514 177.584 0.164 0.000 1.088 18 A CA -0.763 51.306 52.037 0.053 0.000 0.784 18 A CB -0.531 18.383 19.000 -0.144 0.000 1.038 18 A HN 0.151 nan 8.150 nan 0.000 0.501 19 P HA 0.047 nan 4.420 nan 0.000 0.262 19 P C -0.715 176.760 177.300 0.292 0.000 1.182 19 P CA 0.469 63.699 63.100 0.216 0.000 0.761 19 P CB 0.205 32.039 31.700 0.224 0.000 0.795 20 Q N 2.263 122.147 119.800 0.140 0.000 2.247 20 Q HA -0.003 4.336 4.340 -0.001 0.000 0.288 20 Q C 1.232 177.369 176.000 0.228 0.000 1.079 20 Q CA 0.046 55.937 55.803 0.146 0.000 0.932 20 Q CB 0.350 29.081 28.738 -0.011 0.000 1.133 20 Q HN 0.536 nan 8.270 nan 0.000 0.377 21 L N 2.992 124.462 121.223 0.411 0.000 2.017 21 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 21 L C 1.827 178.805 176.870 0.181 0.000 1.073 21 L CA 1.708 56.653 54.840 0.175 0.000 0.745 21 L CB -0.268 41.820 42.059 0.049 0.000 0.894 21 L HN 0.854 nan 8.230 nan 0.000 0.432 22 D N -1.418 119.064 120.400 0.138 0.000 2.144 22 D HA -0.249 4.390 4.640 -0.001 0.000 0.199 22 D C 1.942 178.312 176.300 0.116 0.000 0.984 22 D CA 1.023 55.120 54.000 0.162 0.000 0.834 22 D CB -0.477 40.396 40.800 0.122 0.000 0.955 22 D HN 0.274 nan 8.370 nan 0.000 0.465 23 Q N 0.006 119.842 119.800 0.060 0.000 2.119 23 Q HA -0.096 4.243 4.340 -0.001 0.000 0.201 23 Q C 2.237 178.216 176.000 -0.034 0.000 0.972 23 Q CA 1.003 56.818 55.803 0.019 0.000 0.847 23 Q CB -0.415 28.331 28.738 0.013 0.000 0.903 23 Q HN 0.308 nan 8.270 nan 0.000 0.433 24 R N 0.141 120.586 120.500 -0.091 0.000 2.127 24 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 24 R C 0.718 176.696 176.300 -0.538 0.000 1.134 24 R CA 1.398 57.307 56.100 -0.318 0.000 0.975 24 R CB -0.389 29.628 30.300 -0.471 0.000 0.865 24 R HN 0.226 nan 8.270 nan 0.000 0.447 25 Y N 0.212 120.471 120.300 -0.069 0.000 2.658 25 Y HA 0.337 4.887 4.550 -0.001 0.000 0.276 25 Y C 0.082 175.865 175.900 -0.196 0.000 1.167 25 Y CA -0.618 57.365 58.100 -0.194 0.000 1.230 25 Y CB -0.052 38.278 38.460 -0.217 0.000 1.144 25 Y HN -0.082 nan 8.280 nan 0.000 0.529 26 K N 1.344 121.732 120.400 -0.019 0.000 2.485 26 K HA -0.069 4.250 4.320 -0.001 0.000 0.277 26 K C 0.464 177.046 176.600 -0.029 0.000 0.990 26 K CA 0.650 56.936 56.287 -0.002 0.000 0.994 26 K CB 0.160 32.662 32.500 0.004 0.000 0.906 26 K HN 0.367 nan 8.250 nan 0.000 0.488 27 N N 1.693 120.387 118.700 -0.009 0.000 2.965 27 N HA -0.181 4.558 4.740 -0.001 0.000 0.232 27 N C -0.207 175.282 175.510 -0.035 0.000 0.913 27 N CA 1.876 54.922 53.050 -0.007 0.000 0.981 27 N CB -0.686 37.799 38.487 -0.003 0.000 1.077 27 N HN 0.747 nan 8.380 nan 0.000 0.589 28 E N -0.849 119.273 120.200 -0.130 0.000 2.279 28 E HA 0.249 4.598 4.350 -0.001 0.000 0.199 28 E C -0.166 176.321 176.600 -0.187 0.000 0.893 28 E CA 0.738 56.983 56.400 -0.257 0.000 0.978 28 E CB 0.498 29.864 29.700 -0.556 0.000 0.964 28 E HN 0.304 nan 8.360 nan 0.000 0.486 29 F N -0.624 119.387 119.950 0.101 0.000 2.765 29 F HA 0.243 4.770 4.527 -0.001 0.000 0.313 29 F C -0.534 175.299 175.800 0.056 0.000 1.136 29 F CA -1.639 56.379 58.000 0.031 0.000 0.952 29 F CB 0.131 39.095 39.000 -0.060 0.000 1.268 29 F HN -0.197 nan 8.300 nan 0.000 0.441 30 T N 0.462 115.181 114.554 0.275 0.000 2.813 30 T HA 0.655 5.004 4.350 -0.001 0.000 0.297 30 T C -0.287 174.578 174.700 0.275 0.000 1.036 30 T CA -0.522 61.706 62.100 0.212 0.000 1.044 30 T CB 0.968 69.897 68.868 0.103 0.000 0.993 30 T HN 0.602 nan 8.240 nan 0.000 0.535 31 I N 1.907 122.650 120.570 0.288 0.000 2.410 31 I HA 0.551 4.720 4.170 -0.001 0.000 0.286 31 I C 0.748 177.147 176.117 0.469 0.000 1.009 31 I CA -0.353 61.168 61.300 0.368 0.000 1.111 31 I CB 0.831 39.065 38.000 0.390 0.000 1.262 31 I HN 1.028 nan 8.210 nan 0.000 0.443 32 G N 4.132 113.178 108.800 0.410 0.000 2.788 32 G HA2 0.885 4.845 3.960 -0.001 0.000 0.293 32 G HA3 0.885 4.845 3.960 -0.001 0.000 0.293 32 G C -1.531 173.473 174.900 0.173 0.000 1.305 32 G CA -0.657 44.633 45.100 0.316 0.000 1.005 32 G HN 0.730 nan 8.290 nan 0.000 0.496 33 A N -1.176 121.519 122.820 -0.208 0.000 2.520 33 A HA 0.847 5.166 4.320 -0.001 0.000 0.298 33 A C -0.191 177.176 177.584 -0.363 0.000 1.051 33 A CA 0.007 51.777 52.037 -0.445 0.000 0.690 33 A CB 1.366 19.653 19.000 -1.189 0.000 1.281 33 A HN 2.026 nan 8.150 nan 0.000 0.402 34 A N 0.786 123.368 122.820 -0.396 0.000 2.363 34 A HA 0.685 5.004 4.320 -0.001 0.000 0.270 34 A C 0.253 177.532 177.584 -0.508 0.000 1.121 34 A CA 0.216 51.902 52.037 -0.584 0.000 0.800 34 A CB 0.134 18.398 19.000 -1.225 0.000 1.052 34 A HN 2.276 nan 8.150 nan 0.000 0.493 35 V N -0.448 119.202 119.914 -0.440 0.000 3.040 35 V HA 0.782 4.901 4.120 -0.001 0.000 0.312 35 V C -0.799 175.106 176.094 -0.315 0.000 1.115 35 V CA -0.920 61.147 62.300 -0.388 0.000 0.998 35 V CB 2.083 33.667 31.823 -0.400 0.000 1.042 35 V HN 0.806 nan 8.190 nan 0.000 0.433 36 E N 2.780 122.785 120.200 -0.326 0.000 2.195 36 E HA 0.438 4.787 4.350 -0.001 0.000 0.271 36 E C -2.227 174.222 176.600 -0.251 0.000 0.923 36 E CA -1.936 54.353 56.400 -0.185 0.000 0.790 36 E CB 2.300 31.998 29.700 -0.003 0.000 1.155 36 E HN 0.503 nan 8.360 nan 0.000 0.402 37 P HA -0.231 nan 4.420 nan 0.000 0.218 37 P C 1.395 178.613 177.300 -0.137 0.000 1.154 37 P CA 1.618 64.653 63.100 -0.110 0.000 0.872 37 P CB -0.183 31.511 31.700 -0.010 0.000 0.790 38 Y N 0.158 120.383 120.300 -0.124 0.000 2.315 38 Y HA -0.209 4.341 4.550 -0.001 0.000 0.288 38 Y C 1.904 177.714 175.900 -0.150 0.000 1.154 38 Y CA 1.189 59.219 58.100 -0.116 0.000 1.229 38 Y CB -1.698 36.701 38.460 -0.101 0.000 0.980 38 Y HN 0.050 nan 8.280 nan 0.000 0.540 39 Q N 0.661 119.780 119.800 -1.134 0.000 2.291 39 Q HA -0.021 4.318 4.340 -0.001 0.000 0.205 39 Q C 2.044 177.719 176.000 -0.541 0.000 0.970 39 Q CA 1.302 56.533 55.803 -0.953 0.000 0.876 39 Q CB -0.126 28.047 28.738 -0.942 0.000 0.935 39 Q HN 0.589 nan 8.270 nan 0.000 0.455 40 L N 0.416 121.353 121.223 -0.476 0.000 2.465 40 L HA -0.107 4.232 4.340 -0.001 0.000 0.224 40 L C 1.336 178.070 176.870 -0.226 0.000 1.145 40 L CA 0.463 55.044 54.840 -0.432 0.000 0.834 40 L CB -0.001 41.818 42.059 -0.401 0.000 0.944 40 L HN 0.198 nan 8.230 nan 0.000 0.451 41 Q N -0.448 119.246 119.800 -0.176 0.000 2.188 41 Q HA 0.159 4.498 4.340 -0.001 0.000 0.212 41 Q C -0.323 175.628 176.000 -0.082 0.000 0.846 41 Q CA 0.050 55.803 55.803 -0.084 0.000 0.989 41 Q CB 0.190 28.909 28.738 -0.031 0.000 1.114 41 Q HN 0.312 nan 8.270 nan 0.000 0.488 42 N N 0.728 119.342 118.700 -0.144 0.000 2.446 42 N HA 0.043 4.782 4.740 -0.001 0.000 0.265 42 N C 0.808 176.228 175.510 -0.149 0.000 0.975 42 N CA 0.010 52.982 53.050 -0.129 0.000 0.928 42 N CB 1.290 39.676 38.487 -0.168 0.000 1.160 42 N HN -0.150 nan 8.380 nan 0.000 0.495 43 E N 3.270 123.396 120.200 -0.124 0.000 2.068 43 E HA -0.285 4.065 4.350 -0.001 0.000 0.207 43 E C 0.783 177.260 176.600 -0.206 0.000 1.032 43 E CA 2.029 58.348 56.400 -0.134 0.000 0.839 43 E CB 0.189 29.820 29.700 -0.115 0.000 0.758 43 E HN 0.611 nan 8.360 nan 0.000 0.457 44 K N -0.145 120.061 120.400 -0.323 0.000 2.062 44 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 44 K C 1.982 178.295 176.600 -0.480 0.000 1.051 44 K CA 1.229 57.182 56.287 -0.556 0.000 0.941 44 K CB -0.101 31.735 32.500 -1.106 0.000 0.719 44 K HN 0.206 nan 8.250 nan 0.000 0.440 45 D N 0.732 120.931 120.400 -0.334 0.000 2.117 45 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 45 D C 2.015 178.209 176.300 -0.177 0.000 0.987 45 D CA 0.997 54.879 54.000 -0.196 0.000 0.829 45 D CB -0.205 40.455 40.800 -0.234 0.000 0.961 45 D HN -0.073 nan 8.370 nan 0.000 0.460 46 V N 1.151 120.959 119.914 -0.176 0.000 2.287 46 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 46 V C 2.546 178.649 176.094 0.013 0.000 1.053 46 V CA 1.656 63.920 62.300 -0.060 0.000 1.027 46 V CB -0.534 31.281 31.823 -0.013 0.000 0.646 46 V HN 0.207 nan 8.190 nan 0.000 0.447 47 Q N -1.211 118.544 119.800 -0.074 0.000 2.096 47 Q HA -0.214 4.126 4.340 -0.001 0.000 0.204 47 Q C 2.387 178.343 176.000 -0.073 0.000 0.982 47 Q CA 1.542 57.294 55.803 -0.085 0.000 0.850 47 Q CB -0.232 28.417 28.738 -0.148 0.000 0.901 47 Q HN 0.464 nan 8.270 nan 0.000 0.422 48 M N 0.223 119.779 119.600 -0.074 0.000 2.080 48 M HA -0.164 4.316 4.480 -0.001 0.000 0.260 48 M C 2.225 178.645 176.300 0.200 0.000 1.068 48 M CA 1.479 56.785 55.300 0.011 0.000 1.109 48 M CB -0.899 31.718 32.600 0.027 0.000 1.342 48 M HN 0.269 nan 8.290 nan 0.000 0.405 49 L N -0.310 121.036 121.223 0.205 0.000 2.017 49 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 49 L C 2.480 179.527 176.870 0.295 0.000 1.073 49 L CA 1.394 56.440 54.840 0.344 0.000 0.745 49 L CB -0.648 41.556 42.059 0.241 0.000 0.894 49 L HN 0.301 nan 8.230 nan 0.000 0.432 50 K N -0.563 119.940 120.400 0.171 0.000 2.148 50 K HA -0.196 4.124 4.320 -0.001 0.000 0.204 50 K C 2.251 178.836 176.600 -0.024 0.000 1.050 50 K CA 0.979 57.300 56.287 0.057 0.000 0.942 50 K CB -0.067 32.438 32.500 0.008 0.000 0.724 50 K HN 0.041 nan 8.250 nan 0.000 0.446 51 R N 0.432 120.873 120.500 -0.098 0.000 2.055 51 R HA -0.040 4.300 4.340 -0.001 0.000 0.226 51 R C 1.762 177.806 176.300 -0.427 0.000 1.135 51 R CA 1.670 57.581 56.100 -0.315 0.000 0.959 51 R CB -0.122 29.875 30.300 -0.505 0.000 0.854 51 R HN 0.299 nan 8.270 nan 0.000 0.431 52 H N -2.047 116.927 119.070 -0.160 0.000 2.750 52 H HA 0.214 4.769 4.556 -0.001 0.000 0.263 52 H C -0.289 174.739 175.328 -0.500 0.000 0.964 52 H CA 0.102 55.921 56.048 -0.380 0.000 1.205 52 H CB 0.443 29.824 29.762 -0.635 0.000 1.454 52 H HN 0.034 nan 8.280 nan 0.000 0.503 53 F N 2.124 122.189 119.950 0.191 0.000 2.480 53 F HA 0.211 4.737 4.527 -0.001 0.000 0.329 53 F C 0.875 176.745 175.800 0.116 0.000 1.091 53 F CA -1.000 57.103 58.000 0.171 0.000 0.972 53 F CB 1.172 40.265 39.000 0.155 0.000 1.150 53 F HN -0.026 nan 8.300 nan 0.000 0.467 54 N N -0.232 118.641 118.700 0.288 0.000 2.299 54 N HA 0.186 4.925 4.740 -0.001 0.000 0.246 54 N C -0.767 174.838 175.510 0.158 0.000 1.254 54 N CA -0.175 52.983 53.050 0.179 0.000 0.879 54 N CB 1.154 39.720 38.487 0.132 0.000 1.214 54 N HN 0.353 nan 8.380 nan 0.000 0.510 55 S N -0.061 115.750 115.700 0.186 0.000 2.533 55 S HA 0.688 5.157 4.470 -0.001 0.000 0.271 55 S C -1.809 172.835 174.600 0.074 0.000 1.143 55 S CA -0.758 57.505 58.200 0.105 0.000 0.891 55 S CB 1.081 64.315 63.200 0.057 0.000 1.105 55 S HN 0.247 nan 8.310 nan 0.000 0.468 56 I N 3.502 124.082 120.570 0.017 0.000 2.865 56 I HA 0.824 4.993 4.170 -0.001 0.000 0.302 56 I C -1.440 174.623 176.117 -0.090 0.000 1.140 56 I CA -0.738 60.535 61.300 -0.045 0.000 1.021 56 I CB 2.031 40.031 38.000 -0.000 0.000 1.233 56 I HN 0.542 nan 8.210 nan 0.000 0.427 57 V N 5.936 125.760 119.914 -0.150 0.000 2.971 57 V HA 0.791 4.910 4.120 -0.001 0.000 0.309 57 V C -0.593 175.360 176.094 -0.235 0.000 1.130 57 V CA -0.356 61.846 62.300 -0.163 0.000 0.964 57 V CB 2.029 33.788 31.823 -0.106 0.000 1.029 57 V HN 0.848 nan 8.190 nan 0.000 0.427 58 A N 3.474 126.171 122.820 -0.204 0.000 2.354 58 A HA 0.399 4.718 4.320 -0.001 0.000 0.281 58 A C 0.892 178.353 177.584 -0.205 0.000 1.174 58 A CA 0.395 52.316 52.037 -0.194 0.000 0.828 58 A CB 0.410 19.325 19.000 -0.143 0.000 1.099 58 A HN 1.060 nan 8.150 nan 0.000 0.516 59 E N 2.124 122.119 120.200 -0.341 0.000 2.150 59 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 59 E C 0.671 177.319 176.600 0.080 0.000 0.985 59 E CA 1.578 57.701 56.400 -0.461 0.000 0.814 59 E CB 0.106 29.491 29.700 -0.525 0.000 0.752 59 E HN 0.803 nan 8.360 nan 0.000 0.466 60 N N -1.154 117.613 118.700 0.111 0.000 2.072 60 N HA -0.054 4.685 4.740 -0.001 0.000 0.246 60 N C 1.333 176.934 175.510 0.151 0.000 1.215 60 N CA 0.892 54.070 53.050 0.215 0.000 0.799 60 N CB 0.987 39.583 38.487 0.183 0.000 1.407 60 N HN 0.109 nan 8.380 nan 0.000 0.489 61 V N -0.533 119.430 119.914 0.083 0.000 3.444 61 V HA 0.172 4.292 4.120 -0.001 0.000 0.271 61 V C 1.425 177.567 176.094 0.080 0.000 1.188 61 V CA 1.082 63.430 62.300 0.079 0.000 1.168 61 V CB -0.671 31.191 31.823 0.064 0.000 0.810 61 V HN 0.140 nan 8.190 nan 0.000 0.500 62 M N 0.424 120.033 119.600 0.015 0.000 2.313 62 M HA 0.285 4.764 4.480 -0.001 0.000 0.273 62 M C 0.775 177.061 176.300 -0.023 0.000 1.049 62 M CA -0.129 55.123 55.300 -0.079 0.000 1.004 62 M CB 0.519 32.790 32.600 -0.549 0.000 1.461 62 M HN 0.477 nan 8.290 nan 0.000 0.514 63 K N 0.299 120.743 120.400 0.073 0.000 2.219 63 K HA 0.239 4.558 4.320 -0.001 0.000 0.258 63 K C -2.320 174.441 176.600 0.269 0.000 1.008 63 K CA -1.211 55.168 56.287 0.153 0.000 0.928 63 K CB 0.183 32.812 32.500 0.216 0.000 0.983 63 K HN -0.248 nan 8.250 nan 0.000 0.484 64 P HA -0.233 nan 4.420 nan 0.000 0.217 64 P C 1.367 178.832 177.300 0.274 0.000 1.162 64 P CA 1.357 64.670 63.100 0.355 0.000 0.901 64 P CB 0.006 31.838 31.700 0.221 0.000 0.793 65 I N -1.470 119.206 120.570 0.178 0.000 2.614 65 I HA -0.185 3.985 4.170 -0.001 0.000 0.258 65 I C 1.517 177.707 176.117 0.121 0.000 1.189 65 I CA 1.289 62.669 61.300 0.134 0.000 1.462 65 I CB 0.021 38.066 38.000 0.075 0.000 1.092 65 I HN -0.092 nan 8.210 nan 0.000 0.442 66 S N 0.492 116.274 115.700 0.137 0.000 2.414 66 S HA 0.043 4.513 4.470 -0.001 0.000 0.227 66 S C 1.775 176.430 174.600 0.091 0.000 1.022 66 S CA 0.636 58.902 58.200 0.110 0.000 0.958 66 S CB 0.109 63.381 63.200 0.120 0.000 0.797 66 S HN 0.341 nan 8.310 nan 0.000 0.493 67 I N 0.599 121.253 120.570 0.140 0.000 2.429 67 I HA 0.116 4.286 4.170 -0.001 0.000 0.247 67 I C 1.242 177.316 176.117 -0.071 0.000 1.099 67 I CA 1.031 62.358 61.300 0.046 0.000 1.422 67 I CB -0.536 37.590 38.000 0.210 0.000 1.112 67 I HN 0.284 nan 8.210 nan 0.000 0.430 68 Q N 2.058 121.891 119.800 0.054 0.000 3.122 68 Q HA 0.222 4.561 4.340 -0.001 0.000 0.282 68 Q C -2.027 174.026 176.000 0.088 0.000 0.947 68 Q CA -1.455 54.256 55.803 -0.153 0.000 0.812 68 Q CB 1.524 30.087 28.738 -0.292 0.000 1.333 68 Q HN 0.078 nan 8.270 nan 0.000 0.430 69 P HA -0.089 nan 4.420 nan 0.000 0.229 69 P C -0.224 177.128 177.300 0.086 0.000 1.160 69 P CA 0.840 64.018 63.100 0.130 0.000 0.777 69 P CB 0.471 32.199 31.700 0.047 0.000 0.814 70 E N 0.303 120.368 120.200 -0.225 0.000 2.256 70 E HA 0.178 4.528 4.350 -0.001 0.000 0.268 70 E C -0.857 175.128 176.600 -1.026 0.000 0.877 70 E CA -0.844 55.198 56.400 -0.597 0.000 0.757 70 E CB 1.813 31.299 29.700 -0.357 0.000 1.183 70 E HN -0.129 nan 8.360 nan 0.000 0.418 71 E N 2.394 121.497 120.200 -1.828 0.000 2.493 71 E HA 0.068 4.417 4.350 -0.001 0.000 0.255 71 E C 0.701 176.833 176.600 -0.780 0.000 0.999 71 E CA 1.480 56.825 56.400 -1.758 0.000 0.934 71 E CB 0.077 28.722 29.700 -1.758 0.000 0.940 71 E HN 0.809 nan 8.360 nan 0.000 0.473 72 G N 4.342 112.825 108.800 -0.529 0.000 2.225 72 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.254 72 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.254 72 G C -0.103 174.743 174.900 -0.090 0.000 0.988 72 G CA 0.188 45.190 45.100 -0.164 0.000 0.625 72 G HN 0.469 nan 8.290 nan 0.000 0.527 73 K N 0.733 120.949 120.400 -0.306 0.000 2.354 73 K HA 0.554 4.873 4.320 -0.001 0.000 0.257 73 K C -0.710 175.733 176.600 -0.263 0.000 1.062 73 K CA -0.514 55.670 56.287 -0.171 0.000 0.971 73 K CB 0.318 32.709 32.500 -0.181 0.000 1.305 73 K HN 0.156 nan 8.250 nan 0.000 0.449 74 F N 1.151 121.052 119.950 -0.082 0.000 2.404 74 F HA 0.277 4.804 4.527 -0.000 0.000 0.345 74 F C 0.744 176.416 175.800 -0.212 0.000 1.110 74 F CA -0.536 57.341 58.000 -0.205 0.000 1.130 74 F CB 0.909 39.774 39.000 -0.225 0.000 1.129 74 F HN 0.299 nan 8.300 nan 0.000 0.500 75 N N 3.770 122.371 118.700 -0.165 0.000 2.800 75 N HA 0.229 4.968 4.740 -0.001 0.000 0.240 75 N C -0.445 175.029 175.510 -0.060 0.000 1.096 75 N CA -0.268 52.751 53.050 -0.051 0.000 0.877 75 N CB 0.460 38.937 38.487 -0.016 0.000 1.138 75 N HN 0.472 nan 8.380 nan 0.000 0.509 76 F N 0.836 120.909 119.950 0.206 0.000 2.765 76 F HA 0.170 4.697 4.527 -0.001 0.000 0.302 76 F C 1.718 177.635 175.800 0.195 0.000 1.111 76 F CA -0.068 58.072 58.000 0.234 0.000 1.359 76 F CB 0.235 39.356 39.000 0.203 0.000 1.097 76 F HN 0.317 nan 8.300 nan 0.000 0.577 77 E N 0.283 120.652 120.200 0.282 0.000 2.048 77 E HA -0.251 4.099 4.350 -0.001 0.000 0.202 77 E C 2.118 178.825 176.600 0.178 0.000 1.021 77 E CA 1.642 58.162 56.400 0.199 0.000 0.825 77 E CB -0.298 29.483 29.700 0.134 0.000 0.756 77 E HN 0.269 nan 8.360 nan 0.000 0.454 78 Q N -0.165 119.728 119.800 0.155 0.000 2.079 78 Q HA -0.040 4.299 4.340 -0.001 0.000 0.200 78 Q C 2.299 178.378 176.000 0.132 0.000 0.974 78 Q CA 1.440 57.313 55.803 0.117 0.000 0.840 78 Q CB -0.472 28.322 28.738 0.092 0.000 0.898 78 Q HN 0.333 nan 8.270 nan 0.000 0.430 79 A N 1.730 124.677 122.820 0.211 0.000 1.883 79 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 79 A C 1.771 179.470 177.584 0.192 0.000 1.186 79 A CA 1.842 54.012 52.037 0.220 0.000 0.624 79 A CB -0.522 18.755 19.000 0.462 0.000 0.822 79 A HN 0.232 nan 8.150 nan 0.000 0.444 80 D N -0.487 120.096 120.400 0.305 0.000 2.149 80 D HA -0.151 4.489 4.640 -0.001 0.000 0.198 80 D C 2.134 178.520 176.300 0.143 0.000 0.990 80 D CA 1.206 55.359 54.000 0.255 0.000 0.839 80 D CB -0.349 40.597 40.800 0.245 0.000 0.948 80 D HN 0.471 nan 8.370 nan 0.000 0.460 81 R N 0.025 120.595 120.500 0.116 0.000 2.096 81 R HA -0.078 4.262 4.340 -0.001 0.000 0.235 81 R C 2.238 178.578 176.300 0.067 0.000 1.127 81 R CA 0.644 56.792 56.100 0.081 0.000 0.968 81 R CB -0.054 30.277 30.300 0.052 0.000 0.861 81 R HN 0.212 nan 8.270 nan 0.000 0.440 82 I N 0.208 120.795 120.570 0.028 0.000 2.202 82 I HA -0.186 3.983 4.170 -0.001 0.000 0.242 82 I C 2.366 178.508 176.117 0.041 0.000 1.091 82 I CA 1.239 62.538 61.300 -0.003 0.000 1.368 82 I CB -1.002 36.956 38.000 -0.070 0.000 1.058 82 I HN -0.039 nan 8.210 nan 0.000 0.410 83 V N 1.329 121.236 119.914 -0.011 0.000 2.343 83 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 83 V C 2.647 178.769 176.094 0.048 0.000 1.051 83 V CA 1.962 64.247 62.300 -0.026 0.000 1.036 83 V CB -0.838 30.929 31.823 -0.093 0.000 0.654 83 V HN 0.424 nan 8.190 nan 0.000 0.451 84 K N -0.405 120.043 120.400 0.082 0.000 2.032 84 K HA -0.247 4.073 4.320 -0.001 0.000 0.209 84 K C 2.161 178.809 176.600 0.080 0.000 1.048 84 K CA 2.083 58.418 56.287 0.080 0.000 0.927 84 K CB -0.325 32.230 32.500 0.091 0.000 0.712 84 K HN 0.403 nan 8.250 nan 0.000 0.441 85 F N 1.168 121.105 119.950 -0.021 0.000 2.102 85 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 85 F C 2.045 177.828 175.800 -0.028 0.000 1.105 85 F CA 1.570 59.551 58.000 -0.031 0.000 1.239 85 F CB -0.444 38.525 39.000 -0.051 0.000 0.991 85 F HN 0.116 nan 8.300 nan 0.000 0.474 86 A N 0.439 123.327 122.820 0.114 0.000 1.883 86 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 86 A C 2.258 179.804 177.584 -0.064 0.000 1.186 86 A CA 2.013 54.064 52.037 0.024 0.000 0.624 86 A CB -0.743 18.292 19.000 0.058 0.000 0.822 86 A HN 0.464 nan 8.150 nan 0.000 0.444 87 K N -0.432 119.946 120.400 -0.038 0.000 2.057 87 K HA -0.061 4.259 4.320 -0.001 0.000 0.207 87 K C 2.209 178.761 176.600 -0.081 0.000 1.049 87 K CA 1.125 57.391 56.287 -0.036 0.000 0.931 87 K CB -0.335 32.163 32.500 -0.004 0.000 0.714 87 K HN 0.439 nan 8.250 nan 0.000 0.440 88 A N 1.518 124.260 122.820 -0.130 0.000 2.070 88 A HA -0.111 4.208 4.320 -0.001 0.000 0.220 88 A C 1.300 178.752 177.584 -0.219 0.000 1.159 88 A CA 1.253 53.192 52.037 -0.164 0.000 0.656 88 A CB -0.126 18.762 19.000 -0.187 0.000 0.800 88 A HN 0.271 nan 8.150 nan 0.000 0.453 89 N N -1.124 117.407 118.700 -0.282 0.000 2.235 89 N HA 0.184 4.924 4.740 -0.001 0.000 0.231 89 N C 0.836 176.271 175.510 -0.125 0.000 1.177 89 N CA 0.662 53.559 53.050 -0.255 0.000 0.874 89 N CB 0.725 38.951 38.487 -0.435 0.000 1.097 89 N HN 0.499 nan 8.380 nan 0.000 0.518 90 G N 1.844 110.594 108.800 -0.083 0.000 2.258 90 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.274 90 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.274 90 G C 0.136 175.039 174.900 0.005 0.000 1.021 90 G CA 0.465 45.549 45.100 -0.027 0.000 0.798 90 G HN 0.262 nan 8.290 nan 0.000 0.507 91 M N 0.496 120.098 119.600 0.004 0.000 2.277 91 M HA 0.355 4.834 4.480 -0.001 0.000 0.350 91 M C 0.165 176.504 176.300 0.065 0.000 1.180 91 M CA -0.775 54.556 55.300 0.050 0.000 1.103 91 M CB 0.698 33.340 32.600 0.069 0.000 1.577 91 M HN -0.028 nan 8.290 nan 0.000 0.459 92 D N 2.129 122.586 120.400 0.094 0.000 2.357 92 D HA 0.445 5.085 4.640 -0.001 0.000 0.242 92 D C -0.529 175.825 176.300 0.090 0.000 1.153 92 D CA 0.357 54.435 54.000 0.130 0.000 0.918 92 D CB 0.847 41.760 40.800 0.188 0.000 1.181 92 D HN 0.383 nan 8.370 nan 0.000 0.435 93 I N 0.854 121.484 120.570 0.100 0.000 2.647 93 I HA 0.352 4.521 4.170 -0.001 0.000 0.295 93 I C 0.131 176.252 176.117 0.008 0.000 1.078 93 I CA -0.855 60.450 61.300 0.009 0.000 1.048 93 I CB 2.020 39.981 38.000 -0.064 0.000 1.239 93 I HN -0.061 nan 8.210 nan 0.000 0.421 94 R N 3.900 124.361 120.500 -0.065 0.000 2.637 94 R HA 0.466 4.806 4.340 -0.001 0.000 0.291 94 R C -1.372 174.839 176.300 -0.149 0.000 0.963 94 R CA -0.823 55.230 56.100 -0.079 0.000 0.901 94 R CB 2.627 32.873 30.300 -0.090 0.000 1.160 94 R HN 0.433 nan 8.270 nan 0.000 0.457 95 F N 2.536 122.271 119.950 -0.358 0.000 2.391 95 F HA 0.135 4.662 4.527 -0.001 0.000 0.359 95 F C 0.379 176.182 175.800 0.006 0.000 1.122 95 F CA -0.716 57.098 58.000 -0.311 0.000 1.120 95 F CB 0.359 38.974 39.000 -0.642 0.000 1.142 95 F HN 0.458 nan 8.300 nan 0.000 0.483 96 H N 5.426 124.179 119.070 -0.529 0.000 3.291 96 H HA 0.147 4.702 4.556 -0.001 0.000 0.256 96 H C 0.386 175.589 175.328 -0.210 0.000 1.315 96 H CA 0.629 56.516 56.048 -0.269 0.000 1.521 96 H CB -0.730 28.954 29.762 -0.130 0.000 1.621 96 H HN 0.792 nan 8.280 nan 0.000 0.498 97 T N 3.824 118.371 114.554 -0.013 0.000 0.542 97 T HA -0.206 4.143 4.350 -0.001 0.000 0.774 97 T C 1.187 176.108 174.700 0.368 0.000 0.992 97 T CA 0.963 63.111 62.100 0.080 0.000 4.076 97 T CB -0.148 68.565 68.868 -0.258 0.000 2.302 97 T HN 0.729 nan 8.240 nan 0.000 0.398 98 L N 3.853 125.323 121.223 0.413 0.000 2.354 98 L HA 0.279 4.618 4.340 -0.001 0.000 0.212 98 L C 0.597 177.604 176.870 0.227 0.000 1.091 98 L CA 0.350 55.451 54.840 0.435 0.000 0.828 98 L CB 0.438 42.649 42.059 0.254 0.000 0.973 98 L HN 0.461 nan 8.230 nan 0.000 0.461 99 V N -1.041 118.909 119.914 0.061 0.000 2.623 99 V HA 0.438 4.557 4.120 -0.001 0.000 0.304 99 V C -1.558 174.604 176.094 0.114 0.000 1.054 99 V CA -0.644 61.592 62.300 -0.107 0.000 0.882 99 V CB 2.419 34.022 31.823 -0.366 0.000 1.002 99 V HN 0.135 nan 8.190 nan 0.000 0.424 100 W N 5.022 126.312 121.300 -0.017 0.000 3.479 100 W HA 0.457 5.117 4.660 -0.001 0.000 0.304 100 W C 0.818 177.465 176.519 0.213 0.000 1.243 100 W CA -1.008 56.386 57.345 0.082 0.000 1.202 100 W CB 1.417 30.871 29.460 -0.009 0.000 1.346 100 W HN 0.831 nan 8.180 nan 0.000 0.539 101 H N 1.232 120.529 119.070 0.379 0.000 2.470 101 H HA 0.074 4.629 4.556 -0.001 0.000 0.289 101 H C 0.531 175.772 175.328 -0.145 0.000 1.033 101 H CA 1.027 57.178 56.048 0.172 0.000 1.331 101 H CB -0.350 29.515 29.762 0.171 0.000 1.414 101 H HN 0.122 nan 8.280 nan 0.000 0.545 102 S N 1.093 115.950 115.700 -1.405 0.000 2.510 102 S HA 0.013 4.483 4.470 -0.001 0.000 0.279 102 S C 0.262 174.388 174.600 -0.790 0.000 1.284 102 S CA -0.171 57.259 58.200 -1.284 0.000 1.059 102 S CB 0.038 62.071 63.200 -1.945 0.000 0.901 102 S HN 0.583 nan 8.310 nan 0.000 0.491 103 Q N 0.538 120.083 119.800 -0.424 0.000 2.435 103 Q HA -0.177 4.162 4.340 -0.001 0.000 0.286 103 Q C -0.160 175.762 176.000 -0.129 0.000 1.229 103 Q CA 0.535 56.202 55.803 -0.226 0.000 0.884 103 Q CB -1.854 26.754 28.738 -0.216 0.000 1.245 103 Q HN 0.600 nan 8.270 nan 0.000 0.488 104 V N 0.777 120.641 119.914 -0.084 0.000 2.637 104 V HA 0.213 4.332 4.120 -0.001 0.000 0.296 104 V C -1.886 174.199 176.094 -0.015 0.000 1.046 104 V CA -1.402 60.905 62.300 0.013 0.000 1.066 104 V CB 1.044 32.946 31.823 0.132 0.000 0.968 104 V HN 0.056 nan 8.190 nan 0.000 0.483 105 P HA 0.117 nan 4.420 nan 0.000 0.266 105 P C 0.214 177.304 177.300 -0.349 0.000 1.215 105 P CA 0.076 63.088 63.100 -0.146 0.000 0.763 105 P CB 0.476 32.056 31.700 -0.199 0.000 0.806 106 Q N 2.939 122.643 119.800 -0.159 0.000 2.224 106 Q HA -0.134 4.205 4.340 -0.001 0.000 0.203 106 Q C 1.871 177.748 176.000 -0.205 0.000 0.970 106 Q CA 1.380 57.123 55.803 -0.100 0.000 0.865 106 Q CB -0.407 28.347 28.738 0.028 0.000 0.922 106 Q HN 0.744 nan 8.270 nan 0.000 0.445 107 W N -0.627 120.563 121.300 -0.183 0.000 2.387 107 W HA -0.155 4.504 4.660 -0.001 0.000 0.272 107 W C 1.085 177.410 176.519 -0.323 0.000 1.224 107 W CA 0.112 57.317 57.345 -0.233 0.000 1.210 107 W CB -1.240 28.057 29.460 -0.272 0.000 1.125 107 W HN -0.051 nan 8.180 nan 0.000 0.572 108 F N 1.146 120.309 119.950 -1.312 0.000 2.126 108 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 108 F C 1.701 176.947 175.800 -0.922 0.000 1.096 108 F CA 1.646 58.780 58.000 -1.443 0.000 1.255 108 F CB -1.090 36.612 39.000 -2.163 0.000 0.997 108 F HN -0.271 nan 8.300 nan 0.000 0.479 109 F N 0.258 120.078 119.950 -0.217 0.000 2.663 109 F HA 0.230 4.756 4.527 -0.001 0.000 0.299 109 F C 0.117 175.862 175.800 -0.090 0.000 1.143 109 F CA -0.263 57.620 58.000 -0.195 0.000 1.387 109 F CB -1.062 37.771 39.000 -0.278 0.000 1.019 109 F HN -0.277 nan 8.300 nan 0.000 0.523 110 L N 1.216 122.477 121.223 0.064 0.000 2.307 110 L HA 0.343 4.682 4.340 -0.001 0.000 0.284 110 L C 0.002 176.911 176.870 0.064 0.000 1.023 110 L CA -1.187 53.694 54.840 0.067 0.000 0.810 110 L CB 1.193 43.292 42.059 0.067 0.000 1.231 110 L HN 0.083 nan 8.230 nan 0.000 0.423 111 D N 1.824 122.256 120.400 0.053 0.000 2.393 111 D HA -0.034 4.605 4.640 -0.001 0.000 0.246 111 D C 0.987 177.314 176.300 0.045 0.000 1.275 111 D CA -0.463 53.567 54.000 0.049 0.000 0.979 111 D CB 0.727 41.550 40.800 0.039 0.000 1.101 111 D HN 0.462 nan 8.370 nan 0.000 0.505 112 K N -0.653 119.771 120.400 0.041 0.000 2.160 112 K HA -0.285 4.034 4.320 -0.001 0.000 0.206 112 K C 1.643 178.258 176.600 0.024 0.000 1.047 112 K CA 1.672 57.979 56.287 0.034 0.000 0.930 112 K CB -0.050 32.469 32.500 0.031 0.000 0.720 112 K HN 0.581 nan 8.250 nan 0.000 0.450 113 E N -1.356 118.858 120.200 0.023 0.000 2.481 113 E HA -0.017 4.333 4.350 -0.001 0.000 0.195 113 E C 0.578 177.188 176.600 0.017 0.000 1.047 113 E CA 0.561 56.971 56.400 0.017 0.000 0.867 113 E CB 0.240 29.949 29.700 0.015 0.000 0.858 113 E HN 0.589 nan 8.360 nan 0.000 0.513 114 G N 1.431 110.245 108.800 0.023 0.000 2.175 114 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.244 114 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.244 114 G C 0.003 174.919 174.900 0.026 0.000 0.982 114 G CA 0.206 45.321 45.100 0.025 0.000 0.641 114 G HN 0.171 nan 8.290 nan 0.000 0.527 115 K N 0.767 121.181 120.400 0.024 0.000 2.118 115 K HA 0.456 4.776 4.320 -0.001 0.000 0.264 115 K C -2.624 173.992 176.600 0.027 0.000 1.000 115 K CA -1.966 54.334 56.287 0.021 0.000 0.929 115 K CB 1.000 33.510 32.500 0.016 0.000 1.021 115 K HN -0.054 nan 8.250 nan 0.000 0.463 116 P HA 0.012 nan 4.420 nan 0.000 0.265 116 P C 0.189 177.497 177.300 0.014 0.000 1.222 116 P CA 0.491 63.604 63.100 0.022 0.000 0.767 116 P CB 0.375 32.078 31.700 0.006 0.000 0.801 117 M N 3.242 122.858 119.600 0.027 0.000 2.202 117 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 117 M C 1.782 178.070 176.300 -0.019 0.000 1.063 117 M CA 1.681 56.990 55.300 0.015 0.000 1.097 117 M CB -0.648 31.975 32.600 0.038 0.000 1.382 117 M HN 0.195 nan 8.290 nan 0.000 0.413 118 V N -2.094 117.791 119.914 -0.048 0.000 2.867 118 V HA -0.217 3.902 4.120 -0.001 0.000 0.260 118 V C 1.236 177.304 176.094 -0.043 0.000 1.099 118 V CA 2.108 64.366 62.300 -0.071 0.000 1.122 118 V CB -1.325 30.433 31.823 -0.108 0.000 0.708 118 V HN 0.534 nan 8.190 nan 0.000 0.490 119 N N 0.220 118.904 118.700 -0.026 0.000 2.424 119 N HA 0.012 4.751 4.740 -0.001 0.000 0.178 119 N C 0.633 176.136 175.510 -0.011 0.000 1.060 119 N CA 0.152 53.192 53.050 -0.017 0.000 0.901 119 N CB 0.063 38.544 38.487 -0.010 0.000 0.979 119 N HN 0.500 nan 8.380 nan 0.000 0.451 120 E N 1.173 121.367 120.200 -0.009 0.000 2.417 120 E HA -0.028 4.321 4.350 -0.001 0.000 0.261 120 E C 0.823 177.419 176.600 -0.007 0.000 1.000 120 E CA 0.338 56.735 56.400 -0.004 0.000 0.919 120 E CB 0.696 30.396 29.700 0.001 0.000 0.955 120 E HN 0.250 nan 8.360 nan 0.000 0.455 121 T N 0.220 114.771 114.554 -0.004 0.000 2.990 121 T HA 0.078 4.427 4.350 -0.001 0.000 0.249 121 T C 0.464 175.163 174.700 -0.002 0.000 1.039 121 T CA -0.213 61.885 62.100 -0.004 0.000 1.036 121 T CB 0.040 68.906 68.868 -0.003 0.000 0.994 121 T HN 0.380 nan 8.240 nan 0.000 0.489 122 D N 3.289 123.690 120.400 0.001 0.000 2.358 122 D HA 0.171 4.811 4.640 -0.001 0.000 0.258 122 D C -1.671 174.631 176.300 0.004 0.000 1.223 122 D CA -2.024 51.978 54.000 0.004 0.000 0.886 122 D CB 1.764 42.567 40.800 0.006 0.000 1.120 122 D HN 0.016 nan 8.370 nan 0.000 0.482 123 P HA -0.163 nan 4.420 nan 0.000 0.217 123 P C 1.472 178.777 177.300 0.008 0.000 1.148 123 P CA 0.605 63.707 63.100 0.004 0.000 0.828 123 P CB 0.407 32.110 31.700 0.004 0.000 0.783 124 V N -0.267 119.653 119.914 0.010 0.000 2.488 124 V HA -0.173 3.946 4.120 -0.001 0.000 0.246 124 V C 2.172 178.276 176.094 0.016 0.000 1.046 124 V CA 1.636 63.944 62.300 0.013 0.000 1.053 124 V CB -0.888 30.943 31.823 0.013 0.000 0.679 124 V HN 0.143 nan 8.190 nan 0.000 0.458 125 K N -0.053 120.356 120.400 0.014 0.000 2.155 125 K HA -0.065 4.255 4.320 -0.001 0.000 0.203 125 K C 2.362 178.974 176.600 0.019 0.000 1.052 125 K CA 0.942 57.239 56.287 0.017 0.000 0.948 125 K CB -0.170 32.339 32.500 0.014 0.000 0.728 125 K HN 0.398 nan 8.250 nan 0.000 0.448 126 R N 0.818 121.327 120.500 0.014 0.000 2.096 126 R HA -0.157 4.183 4.340 -0.001 0.000 0.235 126 R C 2.232 178.545 176.300 0.022 0.000 1.127 126 R CA 1.379 57.487 56.100 0.013 0.000 0.968 126 R CB -0.120 30.180 30.300 0.001 0.000 0.861 126 R HN 0.172 nan 8.270 nan 0.000 0.440 127 E N 1.334 121.548 120.200 0.023 0.000 2.072 127 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 127 E C 1.960 178.585 176.600 0.041 0.000 0.985 127 E CA 1.466 57.884 56.400 0.031 0.000 0.801 127 E CB -0.065 29.651 29.700 0.026 0.000 0.750 127 E HN 0.279 nan 8.360 nan 0.000 0.452 128 Q N -0.253 119.569 119.800 0.037 0.000 2.050 128 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 128 Q C 1.671 177.703 176.000 0.054 0.000 0.980 128 Q CA 1.695 57.524 55.803 0.043 0.000 0.840 128 Q CB -0.120 28.639 28.738 0.036 0.000 0.898 128 Q HN 0.282 nan 8.270 nan 0.000 0.424 129 N N 0.832 119.562 118.700 0.050 0.000 2.120 129 N HA -0.176 4.564 4.740 -0.001 0.000 0.188 129 N C 1.510 177.068 175.510 0.079 0.000 1.024 129 N CA 1.263 54.349 53.050 0.060 0.000 0.852 129 N CB -0.293 38.222 38.487 0.046 0.000 1.003 129 N HN 0.274 nan 8.380 nan 0.000 0.424 130 K N 0.862 121.306 120.400 0.074 0.000 2.032 130 K HA -0.144 4.176 4.320 -0.001 0.000 0.209 130 K C 1.684 178.354 176.600 0.117 0.000 1.048 130 K CA 1.132 57.477 56.287 0.096 0.000 0.927 130 K CB 0.131 32.677 32.500 0.077 0.000 0.712 130 K HN 0.046 nan 8.250 nan 0.000 0.441 131 Q N 0.668 120.527 119.800 0.097 0.000 2.124 131 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 131 Q C 2.152 178.225 176.000 0.122 0.000 0.977 131 Q CA 1.045 56.910 55.803 0.103 0.000 0.850 131 Q CB -0.421 28.365 28.738 0.080 0.000 0.901 131 Q HN 0.317 nan 8.270 nan 0.000 0.429 132 L N 0.426 121.718 121.223 0.115 0.000 2.027 132 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 132 L C 2.124 179.098 176.870 0.172 0.000 1.074 132 L CA 1.351 56.269 54.840 0.129 0.000 0.745 132 L CB -0.906 41.217 42.059 0.106 0.000 0.898 132 L HN 0.206 nan 8.230 nan 0.000 0.433 133 L N -0.757 120.569 121.223 0.173 0.000 2.017 133 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 133 L C 2.292 179.345 176.870 0.305 0.000 1.073 133 L CA 1.832 56.802 54.840 0.217 0.000 0.745 133 L CB -0.634 41.538 42.059 0.189 0.000 0.894 133 L HN 0.300 nan 8.230 nan 0.000 0.432 134 L N -0.635 120.746 121.223 0.263 0.000 2.141 134 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 134 L C 2.534 179.548 176.870 0.240 0.000 1.094 134 L CA 1.179 56.174 54.840 0.258 0.000 0.763 134 L CB -0.580 41.600 42.059 0.201 0.000 0.908 134 L HN 0.276 nan 8.230 nan 0.000 0.437 135 K N 0.828 121.360 120.400 0.219 0.000 2.057 135 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 135 K C 2.136 178.895 176.600 0.266 0.000 1.050 135 K CA 1.416 57.827 56.287 0.207 0.000 0.935 135 K CB -0.071 32.530 32.500 0.168 0.000 0.715 135 K HN 0.071 nan 8.250 nan 0.000 0.439 136 R N -0.095 120.602 120.500 0.329 0.000 2.081 136 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 136 R C 2.215 178.863 176.300 0.579 0.000 1.131 136 R CA 1.340 57.719 56.100 0.466 0.000 0.960 136 R CB -0.591 30.031 30.300 0.536 0.000 0.856 136 R HN 0.171 nan 8.270 nan 0.000 0.436 137 L N 1.744 123.256 121.223 0.483 0.000 2.012 137 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 137 L C 1.694 178.754 176.870 0.317 0.000 1.073 137 L CA 1.864 56.922 54.840 0.363 0.000 0.748 137 L CB -0.397 41.799 42.059 0.229 0.000 0.891 137 L HN 0.146 nan 8.230 nan 0.000 0.431 138 E N -1.231 119.130 120.200 0.270 0.000 2.077 138 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 138 E C 1.949 178.658 176.600 0.183 0.000 0.989 138 E CA 1.748 58.284 56.400 0.227 0.000 0.800 138 E CB -0.299 29.539 29.700 0.229 0.000 0.746 138 E HN 0.541 nan 8.360 nan 0.000 0.452 139 T N -0.012 114.680 114.554 0.230 0.000 2.746 139 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 139 T C 1.714 176.593 174.700 0.298 0.000 1.039 139 T CA 1.744 63.962 62.100 0.198 0.000 1.142 139 T CB -0.378 68.651 68.868 0.268 0.000 0.866 139 T HN 0.294 nan 8.240 nan 0.000 0.444 140 H N 0.902 120.207 119.070 0.391 0.000 2.290 140 H HA 0.034 4.589 4.556 -0.001 0.000 0.298 140 H C 2.043 177.563 175.328 0.320 0.000 1.087 140 H CA 1.579 57.934 56.048 0.511 0.000 1.291 140 H CB -0.440 29.672 29.762 0.584 0.000 1.369 140 H HN 0.316 nan 8.280 nan 0.000 0.492 141 I N 0.203 120.905 120.570 0.221 0.000 2.202 141 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 141 I C 2.632 178.684 176.117 -0.108 0.000 1.091 141 I CA 1.502 62.823 61.300 0.035 0.000 1.368 141 I CB -0.351 37.683 38.000 0.056 0.000 1.058 141 I HN 0.301 nan 8.210 nan 0.000 0.410 142 K N 0.847 121.136 120.400 -0.185 0.000 2.032 142 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 142 K C 2.064 178.435 176.600 -0.381 0.000 1.048 142 K CA 2.193 58.167 56.287 -0.521 0.000 0.927 142 K CB -0.157 31.730 32.500 -1.020 0.000 0.712 142 K HN 0.219 nan 8.250 nan 0.000 0.441 143 T N 1.687 116.059 114.554 -0.304 0.000 2.684 143 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 143 T C 1.916 176.452 174.700 -0.273 0.000 1.036 143 T CA 1.746 63.625 62.100 -0.370 0.000 1.148 143 T CB -0.183 68.278 68.868 -0.680 0.000 0.863 143 T HN 0.215 nan 8.240 nan 0.000 0.436 144 I N 0.620 121.126 120.570 -0.106 0.000 2.202 144 I HA -0.118 4.052 4.170 -0.001 0.000 0.242 144 I C 2.514 178.585 176.117 -0.076 0.000 1.091 144 I CA 0.837 62.151 61.300 0.024 0.000 1.368 144 I CB -0.489 37.594 38.000 0.140 0.000 1.058 144 I HN 0.069 nan 8.210 nan 0.000 0.410 145 V N 0.906 120.692 119.914 -0.212 0.000 2.343 145 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 145 V C 2.346 178.343 176.094 -0.161 0.000 1.051 145 V CA 1.884 63.981 62.300 -0.338 0.000 1.036 145 V CB -0.704 30.816 31.823 -0.505 0.000 0.654 145 V HN 0.442 nan 8.190 nan 0.000 0.451 146 E N -0.270 119.817 120.200 -0.189 0.000 2.204 146 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 146 E C 2.395 178.879 176.600 -0.194 0.000 0.989 146 E CA 0.884 57.189 56.400 -0.158 0.000 0.824 146 E CB -0.154 29.434 29.700 -0.185 0.000 0.756 146 E HN 0.476 nan 8.360 nan 0.000 0.477 147 R N -0.032 120.265 120.500 -0.338 0.000 2.090 147 R HA -0.106 4.234 4.340 -0.001 0.000 0.228 147 R C 0.907 176.967 176.300 -0.400 0.000 1.110 147 R CA 1.164 56.934 56.100 -0.550 0.000 0.973 147 R CB 0.184 29.819 30.300 -1.109 0.000 0.869 147 R HN 0.177 nan 8.270 nan 0.000 0.440 148 Y N 0.261 120.580 120.300 0.033 0.000 2.500 148 Y HA 0.158 4.707 4.550 -0.001 0.000 0.246 148 Y C 1.458 177.512 175.900 0.257 0.000 1.146 148 Y CA -0.351 57.837 58.100 0.147 0.000 1.230 148 Y CB 0.302 38.894 38.460 0.219 0.000 1.214 148 Y HN 0.062 nan 8.280 nan 0.000 0.526 149 K N -0.141 120.458 120.400 0.331 0.000 2.160 149 K HA -0.197 4.123 4.320 -0.001 0.000 0.206 149 K C 0.475 177.204 176.600 0.216 0.000 1.047 149 K CA 2.192 58.644 56.287 0.276 0.000 0.930 149 K CB -0.155 32.390 32.500 0.075 0.000 0.720 149 K HN 0.120 nan 8.250 nan 0.000 0.450 150 D N 0.901 121.396 120.400 0.157 0.000 2.347 150 D HA -0.044 4.595 4.640 -0.001 0.000 0.213 150 D C 0.868 177.239 176.300 0.118 0.000 0.985 150 D CA 0.728 54.794 54.000 0.111 0.000 0.879 150 D CB 0.194 41.037 40.800 0.071 0.000 0.919 150 D HN 0.383 nan 8.370 nan 0.000 0.526 151 D N -0.142 120.353 120.400 0.159 0.000 2.514 151 D HA 0.125 4.764 4.640 -0.001 0.000 0.249 151 D C 0.849 177.199 176.300 0.083 0.000 1.036 151 D CA 0.072 54.140 54.000 0.114 0.000 0.911 151 D CB 1.570 42.441 40.800 0.118 0.000 1.145 151 D HN 0.176 nan 8.370 nan 0.000 0.495 152 I N 2.026 122.665 120.570 0.114 0.000 2.307 152 I HA 0.148 4.317 4.170 -0.001 0.000 0.289 152 I C 1.397 177.579 176.117 0.108 0.000 1.021 152 I CA -0.239 61.042 61.300 -0.033 0.000 1.224 152 I CB 2.128 39.899 38.000 -0.383 0.000 1.376 152 I HN -0.235 nan 8.210 nan 0.000 0.470 153 K N 5.469 125.877 120.400 0.013 0.000 2.211 153 K HA 0.060 4.379 4.320 -0.001 0.000 0.201 153 K C -0.316 176.176 176.600 -0.180 0.000 1.052 153 K CA 0.760 56.991 56.287 -0.092 0.000 0.973 153 K CB 0.368 32.661 32.500 -0.345 0.000 0.766 153 K HN 0.433 nan 8.250 nan 0.000 0.466 154 Y N -0.511 119.844 120.300 0.093 0.000 2.341 154 Y HA 0.309 4.859 4.550 -0.001 0.000 0.337 154 Y C -1.029 174.883 175.900 0.019 0.000 1.014 154 Y CA -0.999 57.204 58.100 0.172 0.000 1.111 154 Y CB 0.882 39.326 38.460 -0.028 0.000 1.194 154 Y HN -0.035 nan 8.280 nan 0.000 0.462 155 W N 2.373 123.892 121.300 0.365 0.000 2.781 155 W HA 0.363 5.022 4.660 -0.001 0.000 0.333 155 W C -1.027 175.665 176.519 0.288 0.000 1.047 155 W CA -0.914 56.612 57.345 0.302 0.000 1.236 155 W CB 1.332 30.897 29.460 0.176 0.000 1.394 155 W HN 0.373 nan 8.180 nan 0.000 0.466 156 D N 2.833 123.483 120.400 0.417 0.000 2.453 156 D HA 0.116 4.756 4.640 -0.001 0.000 0.223 156 D C 1.217 177.640 176.300 0.206 0.000 1.183 156 D CA 0.135 54.285 54.000 0.250 0.000 0.933 156 D CB 1.326 42.200 40.800 0.123 0.000 1.038 156 D HN 0.108 nan 8.370 nan 0.000 0.513 157 V N 1.935 121.875 119.914 0.045 0.000 2.295 157 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 157 V C 1.187 177.128 176.094 -0.255 0.000 1.049 157 V CA 1.209 63.365 62.300 -0.240 0.000 1.024 157 V CB -0.255 31.018 31.823 -0.916 0.000 0.648 157 V HN 0.459 nan 8.190 nan 0.000 0.447 158 V N -1.987 117.772 119.914 -0.259 0.000 2.914 158 V HA 0.593 4.712 4.120 -0.001 0.000 0.314 158 V C -0.801 175.252 176.094 -0.069 0.000 1.084 158 V CA -0.842 61.377 62.300 -0.134 0.000 0.963 158 V CB 1.971 33.724 31.823 -0.116 0.000 1.025 158 V HN 0.372 nan 8.190 nan 0.000 0.432 159 N N 1.381 120.045 118.700 -0.059 0.000 2.295 159 N HA 0.328 5.067 4.740 -0.001 0.000 0.293 159 N C -0.595 174.925 175.510 0.016 0.000 1.040 159 N CA -0.361 52.581 53.050 -0.180 0.000 0.840 159 N CB 1.797 39.911 38.487 -0.622 0.000 1.468 159 N HN 1.004 nan 8.380 nan 0.000 0.478 160 E N 0.856 121.073 120.200 0.028 0.000 2.269 160 E HA -0.172 4.177 4.350 -0.001 0.000 0.223 160 E C 1.071 177.780 176.600 0.181 0.000 1.244 160 E CA 0.352 56.851 56.400 0.165 0.000 0.713 160 E CB -1.371 28.619 29.700 0.483 0.000 1.178 160 E HN 0.508 nan 8.360 nan 0.000 0.370 161 V N -3.308 116.668 119.914 0.104 0.000 3.461 161 V HA 0.103 4.223 4.120 -0.001 0.000 0.267 161 V C 0.839 176.936 176.094 0.005 0.000 1.186 161 V CA 0.307 62.676 62.300 0.114 0.000 1.154 161 V CB 0.509 32.396 31.823 0.106 0.000 0.802 161 V HN 0.125 nan 8.190 nan 0.000 0.474 162 V N 1.749 121.638 119.914 -0.042 0.000 2.417 162 V HA 0.792 4.911 4.120 -0.001 0.000 0.291 162 V C 1.044 177.081 176.094 -0.096 0.000 1.024 162 V CA 0.019 62.271 62.300 -0.080 0.000 0.861 162 V CB 0.900 32.678 31.823 -0.074 0.000 0.985 162 V HN 0.447 nan 8.190 nan 0.000 0.436 163 G N 2.020 110.768 108.800 -0.087 0.000 2.606 163 G HA2 0.181 4.140 3.960 -0.001 0.000 0.252 163 G HA3 0.181 4.140 3.960 -0.001 0.000 0.252 163 G C 0.436 175.304 174.900 -0.053 0.000 1.206 163 G CA -0.305 44.757 45.100 -0.063 0.000 0.861 163 G HN 0.738 nan 8.290 nan 0.000 0.561 164 D N -0.150 120.242 120.400 -0.013 0.000 2.348 164 D HA -0.093 4.547 4.640 -0.001 0.000 0.216 164 D C 1.518 177.828 176.300 0.017 0.000 0.970 164 D CA 0.931 54.934 54.000 0.006 0.000 0.889 164 D CB 0.242 41.087 40.800 0.076 0.000 0.912 164 D HN 0.580 nan 8.370 nan 0.000 0.524 165 D N -0.651 119.755 120.400 0.011 0.000 2.340 165 D HA 0.055 4.694 4.640 -0.001 0.000 0.220 165 D C 1.527 177.829 176.300 0.003 0.000 1.039 165 D CA 0.617 54.625 54.000 0.014 0.000 0.866 165 D CB -0.051 40.757 40.800 0.014 0.000 0.913 165 D HN 0.168 nan 8.370 nan 0.000 0.523 166 G N 0.012 108.807 108.800 -0.009 0.000 2.176 166 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.253 166 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.253 166 G C 0.110 174.996 174.900 -0.023 0.000 0.979 166 G CA 0.184 45.278 45.100 -0.010 0.000 0.641 166 G HN 0.484 nan 8.290 nan 0.000 0.530 167 K N -0.226 120.152 120.400 -0.038 0.000 2.221 167 K HA 0.697 5.017 4.320 -0.001 0.000 0.243 167 K C 0.689 177.219 176.600 -0.117 0.000 0.968 167 K CA -1.067 55.182 56.287 -0.063 0.000 0.846 167 K CB 1.633 34.105 32.500 -0.047 0.000 1.141 167 K HN 0.109 nan 8.250 nan 0.000 0.434 168 L N 2.208 123.312 121.223 -0.199 0.000 2.525 168 L HA 0.057 4.396 4.340 -0.001 0.000 0.278 168 L C 0.887 177.574 176.870 -0.305 0.000 1.218 168 L CA 0.081 54.731 54.840 -0.318 0.000 0.878 168 L CB -0.063 41.616 42.059 -0.633 0.000 1.127 168 L HN 0.493 nan 8.230 nan 0.000 0.492 169 R N 3.427 123.812 120.500 -0.190 0.000 2.484 169 R HA -0.074 4.265 4.340 -0.001 0.000 0.293 169 R C 0.569 176.809 176.300 -0.100 0.000 1.023 169 R CA 0.125 56.147 56.100 -0.130 0.000 1.037 169 R CB 0.080 30.307 30.300 -0.121 0.000 0.951 169 R HN 0.618 nan 8.270 nan 0.000 0.418 170 N N 2.907 121.582 118.700 -0.041 0.000 3.111 170 N HA -0.035 4.704 4.740 -0.001 0.000 0.302 170 N C -0.557 174.988 175.510 0.058 0.000 1.317 170 N CA -0.334 52.770 53.050 0.091 0.000 1.151 170 N CB 0.286 38.826 38.487 0.088 0.000 1.456 170 N HN 0.576 nan 8.380 nan 0.000 0.547 171 S N -0.171 115.560 115.700 0.051 0.000 2.655 171 S HA 0.301 4.771 4.470 -0.001 0.000 0.265 171 S C -1.663 172.835 174.600 -0.170 0.000 1.240 171 S CA -1.114 57.066 58.200 -0.033 0.000 0.986 171 S CB 1.200 64.445 63.200 0.075 0.000 0.985 171 S HN 0.062 nan 8.310 nan 0.000 0.562 172 P HA -0.044 nan 4.420 nan 0.000 0.218 172 P C 0.723 177.580 177.300 -0.740 0.000 1.148 172 P CA 1.222 63.801 63.100 -0.868 0.000 0.822 172 P CB -0.080 30.507 31.700 -1.855 0.000 0.784 173 W N -1.967 118.971 121.300 -0.604 0.000 2.318 173 W HA -0.216 4.443 4.660 -0.001 0.000 0.313 173 W C 2.515 178.768 176.519 -0.443 0.000 1.221 173 W CA 0.891 57.888 57.345 -0.580 0.000 1.266 173 W CB -1.191 27.570 29.460 -1.166 0.000 1.150 173 W HN -0.005 nan 8.180 nan 0.000 0.496 174 Y N 1.024 121.244 120.300 -0.132 0.000 2.243 174 Y HA -0.203 4.346 4.550 -0.001 0.000 0.293 174 Y C 2.410 178.342 175.900 0.053 0.000 1.124 174 Y CA 1.922 60.098 58.100 0.127 0.000 1.159 174 Y CB -0.766 37.811 38.460 0.194 0.000 1.008 174 Y HN 0.006 nan 8.280 nan 0.000 0.527 175 Q N -0.274 119.482 119.800 -0.073 0.000 2.181 175 Q HA -0.179 4.160 4.340 -0.001 0.000 0.205 175 Q C 2.116 178.015 176.000 -0.168 0.000 0.980 175 Q CA 2.130 57.845 55.803 -0.148 0.000 0.862 175 Q CB -0.107 28.559 28.738 -0.120 0.000 0.905 175 Q HN 0.554 nan 8.270 nan 0.000 0.429 176 I N -0.800 119.685 120.570 -0.142 0.000 2.628 176 I HA -0.027 4.142 4.170 -0.001 0.000 0.255 176 I C 1.916 178.023 176.117 -0.016 0.000 1.119 176 I CA 0.704 61.960 61.300 -0.074 0.000 1.448 176 I CB 0.075 38.044 38.000 -0.052 0.000 1.133 176 I HN 0.034 nan 8.210 nan 0.000 0.438 177 A N 0.275 123.120 122.820 0.043 0.000 2.343 177 A HA 0.533 4.853 4.320 -0.001 0.000 0.223 177 A C 1.296 178.931 177.584 0.085 0.000 1.214 177 A CA 0.506 52.616 52.037 0.122 0.000 0.900 177 A CB -0.335 18.832 19.000 0.278 0.000 0.942 177 A HN 0.453 nan 8.150 nan 0.000 0.507 178 G N -0.069 108.685 108.800 -0.077 0.000 2.601 178 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.252 178 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.252 178 G C 0.856 175.898 174.900 0.236 0.000 1.294 178 G CA 0.053 44.996 45.100 -0.262 0.000 0.912 178 G HN 0.804 nan 8.290 nan 0.000 0.574 179 I N 0.592 121.326 120.570 0.272 0.000 2.700 179 I HA -0.090 4.079 4.170 -0.001 0.000 0.261 179 I C 2.023 178.192 176.117 0.087 0.000 1.219 179 I CA 1.982 63.428 61.300 0.242 0.000 1.463 179 I CB -0.200 37.905 38.000 0.175 0.000 1.092 179 I HN 0.487 nan 8.210 nan 0.000 0.452 180 D N 0.193 120.667 120.400 0.123 0.000 2.263 180 D HA -0.238 4.402 4.640 -0.001 0.000 0.208 180 D C 1.828 178.202 176.300 0.123 0.000 0.971 180 D CA 1.402 55.461 54.000 0.099 0.000 0.867 180 D CB -0.230 40.635 40.800 0.109 0.000 0.929 180 D HN 0.654 nan 8.370 nan 0.000 0.492 181 Y N 0.132 120.505 120.300 0.122 0.000 2.293 181 Y HA -0.032 4.518 4.550 -0.001 0.000 0.291 181 Y C 2.029 177.933 175.900 0.007 0.000 1.137 181 Y CA 0.755 58.907 58.100 0.087 0.000 1.202 181 Y CB -0.696 37.867 38.460 0.170 0.000 0.990 181 Y HN -0.091 nan 8.280 nan 0.000 0.537 182 I N 0.820 121.013 120.570 -0.629 0.000 2.286 182 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 182 I C 2.287 178.384 176.117 -0.034 0.000 1.104 182 I CA 1.257 62.287 61.300 -0.450 0.000 1.397 182 I CB -0.363 37.366 38.000 -0.451 0.000 1.072 182 I HN 0.169 nan 8.210 nan 0.000 0.417 183 K N 0.570 120.958 120.400 -0.020 0.000 2.025 183 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 183 K C 2.123 178.766 176.600 0.072 0.000 1.049 183 K CA 1.202 57.518 56.287 0.048 0.000 0.933 183 K CB -0.318 32.191 32.500 0.016 0.000 0.714 183 K HN 0.140 nan 8.250 nan 0.000 0.438 184 V N 1.704 121.650 119.914 0.053 0.000 2.407 184 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 184 V C 2.434 178.551 176.094 0.038 0.000 1.055 184 V CA 1.966 64.303 62.300 0.061 0.000 1.049 184 V CB -0.710 31.170 31.823 0.094 0.000 0.662 184 V HN 0.352 nan 8.190 nan 0.000 0.455 185 A N -0.300 122.510 122.820 -0.017 0.000 1.865 185 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 185 A C 2.046 179.540 177.584 -0.150 0.000 1.191 185 A CA 2.023 53.989 52.037 -0.118 0.000 0.623 185 A CB -0.778 18.071 19.000 -0.251 0.000 0.826 185 A HN 0.450 nan 8.150 nan 0.000 0.444 186 F N -0.040 119.869 119.950 -0.068 0.000 2.134 186 F HA -0.175 4.351 4.527 -0.001 0.000 0.299 186 F C 2.782 178.531 175.800 -0.085 0.000 1.097 186 F CA 1.962 59.916 58.000 -0.077 0.000 1.264 186 F CB -0.509 38.439 39.000 -0.087 0.000 1.001 186 F HN 0.284 nan 8.300 nan 0.000 0.479 187 Q N -0.510 119.356 119.800 0.110 0.000 2.119 187 Q HA -0.133 4.206 4.340 -0.001 0.000 0.201 187 Q C 2.444 178.418 176.000 -0.044 0.000 0.972 187 Q CA 1.279 57.093 55.803 0.017 0.000 0.847 187 Q CB -0.366 28.377 28.738 0.008 0.000 0.903 187 Q HN 0.431 nan 8.270 nan 0.000 0.433 188 A N 0.868 123.681 122.820 -0.010 0.000 1.898 188 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 188 A C 2.263 179.846 177.584 -0.002 0.000 1.181 188 A CA 1.402 53.455 52.037 0.027 0.000 0.620 188 A CB -0.725 18.362 19.000 0.146 0.000 0.819 188 A HN 0.388 nan 8.150 nan 0.000 0.442 189 A N 0.043 122.815 122.820 -0.080 0.000 1.877 189 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 189 A C 2.196 179.658 177.584 -0.204 0.000 1.186 189 A CA 2.214 54.127 52.037 -0.207 0.000 0.620 189 A CB -0.457 18.377 19.000 -0.277 0.000 0.822 189 A HN 0.479 nan 8.150 nan 0.000 0.443 190 R N 0.371 120.791 120.500 -0.133 0.000 2.073 190 R HA -0.117 4.223 4.340 -0.001 0.000 0.234 190 R C 2.159 178.358 176.300 -0.169 0.000 1.134 190 R CA 2.273 58.297 56.100 -0.126 0.000 0.952 190 R CB -0.549 29.705 30.300 -0.075 0.000 0.850 190 R HN 0.548 nan 8.270 nan 0.000 0.433 191 K N -1.060 119.198 120.400 -0.237 0.000 2.032 191 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 191 K C 1.497 177.843 176.600 -0.424 0.000 1.048 191 K CA 1.889 57.945 56.287 -0.385 0.000 0.927 191 K CB -0.236 31.904 32.500 -0.601 0.000 0.712 191 K HN 0.279 nan 8.250 nan 0.000 0.441 192 Y N -0.924 119.304 120.300 -0.120 0.000 2.517 192 Y HA 0.179 4.728 4.550 -0.001 0.000 0.281 192 Y C 2.196 177.994 175.900 -0.170 0.000 1.125 192 Y CA 0.701 58.720 58.100 -0.135 0.000 1.283 192 Y CB 0.082 38.456 38.460 -0.145 0.000 1.042 192 Y HN 0.205 nan 8.280 nan 0.000 0.547 193 G N -0.851 107.885 108.800 -0.107 0.000 2.662 193 G HA2 0.411 4.370 3.960 -0.001 0.000 0.212 193 G HA3 0.411 4.370 3.960 -0.001 0.000 0.212 193 G C 0.735 175.573 174.900 -0.104 0.000 1.141 193 G CA 0.435 45.433 45.100 -0.170 0.000 0.797 193 G HN 0.590 nan 8.290 nan 0.000 0.531 194 G N 0.094 108.836 108.800 -0.096 0.000 2.710 194 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.668 194 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.668 194 G C -0.001 174.861 174.900 -0.064 0.000 1.320 194 G CA 0.047 45.107 45.100 -0.068 0.000 0.860 194 G HN 0.031 nan 8.290 nan 0.000 0.538 195 D N 0.262 120.634 120.400 -0.046 0.000 2.355 195 D HA -0.016 4.624 4.640 -0.001 0.000 0.218 195 D C 1.852 178.137 176.300 -0.026 0.000 1.004 195 D CA 0.409 54.386 54.000 -0.039 0.000 0.880 195 D CB 0.081 40.861 40.800 -0.034 0.000 0.911 195 D HN 0.349 nan 8.370 nan 0.000 0.528 196 N N 0.987 119.675 118.700 -0.018 0.000 2.424 196 N HA 0.035 4.774 4.740 -0.001 0.000 0.178 196 N C 1.164 176.669 175.510 -0.007 0.000 1.060 196 N CA 0.074 53.119 53.050 -0.009 0.000 0.901 196 N CB 0.962 39.450 38.487 0.001 0.000 0.979 196 N HN 0.409 nan 8.380 nan 0.000 0.451 197 I N -1.083 119.491 120.570 0.007 0.000 2.532 197 I HA 0.304 4.474 4.170 -0.001 0.000 0.292 197 I C -0.199 175.956 176.117 0.063 0.000 1.014 197 I CA -0.674 60.664 61.300 0.064 0.000 1.340 197 I CB 0.868 38.932 38.000 0.107 0.000 1.422 197 I HN -0.399 nan 8.210 nan 0.000 0.528 198 K N 6.913 127.389 120.400 0.128 0.000 2.213 198 K HA 0.567 4.887 4.320 -0.001 0.000 0.270 198 K C -0.815 175.998 176.600 0.354 0.000 1.002 198 K CA -0.462 55.933 56.287 0.180 0.000 0.868 198 K CB 1.904 34.580 32.500 0.294 0.000 1.093 198 K HN 0.640 nan 8.250 nan 0.000 0.454 199 L N 4.010 125.314 121.223 0.136 0.000 2.296 199 L HA 0.460 4.799 4.340 -0.001 0.000 0.286 199 L C -0.649 176.312 176.870 0.153 0.000 1.023 199 L CA -0.996 54.015 54.840 0.284 0.000 0.812 199 L CB 0.385 42.640 42.059 0.328 0.000 1.223 199 L HN 0.418 nan 8.230 nan 0.000 0.421 200 Y N 2.080 122.588 120.300 0.346 0.000 2.570 200 Y HA 0.539 5.089 4.550 -0.001 0.000 0.345 200 Y C -0.009 176.055 175.900 0.273 0.000 1.014 200 Y CA -0.960 57.289 58.100 0.248 0.000 1.063 200 Y CB 2.251 40.780 38.460 0.115 0.000 1.272 200 Y HN 0.476 nan 8.280 nan 0.000 0.477 201 M N 3.303 123.096 119.600 0.321 0.000 2.101 201 M HA 0.352 4.831 4.480 -0.001 0.000 0.340 201 M C -1.312 174.988 176.300 -0.001 0.000 1.057 201 M CA -0.100 55.319 55.300 0.199 0.000 0.984 201 M CB 0.431 33.108 32.600 0.128 0.000 1.560 201 M HN 0.790 nan 8.290 nan 0.000 0.435 202 N N 3.328 122.004 118.700 -0.041 0.000 2.443 202 N HA 0.364 5.103 4.740 -0.001 0.000 0.295 202 N C -1.715 173.698 175.510 -0.162 0.000 1.076 202 N CA -0.229 52.737 53.050 -0.141 0.000 0.919 202 N CB 1.157 39.555 38.487 -0.148 0.000 1.176 202 N HN 0.718 nan 8.380 nan 0.000 0.487 203 D N 0.529 120.816 120.400 -0.189 0.000 2.694 203 D HA 0.161 4.801 4.640 -0.001 0.000 0.260 203 D C -1.435 174.809 176.300 -0.094 0.000 1.250 203 D CA -0.284 53.627 54.000 -0.149 0.000 0.763 203 D CB 1.115 41.790 40.800 -0.208 0.000 1.311 203 D HN 0.459 nan 8.370 nan 0.000 0.420 204 Y N -0.236 120.043 120.300 -0.035 0.000 2.534 204 Y HA 0.523 5.073 4.550 -0.001 0.000 0.329 204 Y C 0.813 176.732 175.900 0.032 0.000 1.154 204 Y CA -0.816 57.290 58.100 0.011 0.000 1.192 204 Y CB 0.532 39.058 38.460 0.111 0.000 1.275 204 Y HN 0.560 nan 8.280 nan 0.000 0.491 205 N N -0.360 118.418 118.700 0.130 0.000 2.725 205 N HA -0.243 4.496 4.740 -0.001 0.000 0.249 205 N C 0.389 175.884 175.510 -0.025 0.000 1.103 205 N CA 0.702 53.789 53.050 0.062 0.000 0.707 205 N CB -0.650 37.911 38.487 0.124 0.000 1.043 205 N HN 0.960 nan 8.380 nan 0.000 0.553 206 T N -2.975 111.575 114.554 -0.006 0.000 3.051 206 T HA -0.079 4.270 4.350 -0.001 0.000 0.269 206 T C 1.120 175.887 174.700 0.112 0.000 1.127 206 T CA 1.108 63.245 62.100 0.061 0.000 1.107 206 T CB 0.068 69.023 68.868 0.144 0.000 0.898 206 T HN 0.281 nan 8.240 nan 0.000 0.517 207 E N 0.646 120.850 120.200 0.007 0.000 2.472 207 E HA 0.270 4.619 4.350 -0.001 0.000 0.196 207 E C -0.021 176.549 176.600 -0.051 0.000 1.033 207 E CA -0.122 56.247 56.400 -0.051 0.000 0.886 207 E CB 0.418 30.005 29.700 -0.189 0.000 0.944 207 E HN 0.385 nan 8.360 nan 0.000 0.492 208 V N 1.972 121.885 119.914 -0.003 0.000 2.472 208 V HA 0.201 4.321 4.120 -0.001 0.000 0.290 208 V C 0.320 176.442 176.094 0.047 0.000 1.037 208 V CA -0.940 61.390 62.300 0.051 0.000 0.908 208 V CB 1.714 33.627 31.823 0.151 0.000 0.985 208 V HN 0.025 nan 8.190 nan 0.000 0.454 209 E N 5.491 125.717 120.200 0.044 0.000 2.319 209 E HA 0.305 4.654 4.350 -0.001 0.000 0.268 209 E C -1.598 175.026 176.600 0.040 0.000 1.050 209 E CA -1.825 54.592 56.400 0.028 0.000 0.878 209 E CB 1.296 31.003 29.700 0.012 0.000 1.066 209 E HN 0.490 nan 8.360 nan 0.000 0.406 210 P HA 0.040 nan 4.420 nan 0.000 0.249 210 P C 0.988 178.298 177.300 0.018 0.000 1.229 210 P CA 0.374 63.484 63.100 0.017 0.000 0.788 210 P CB 0.514 32.222 31.700 0.014 0.000 1.072 211 K N 1.217 121.627 120.400 0.016 0.000 2.032 211 K HA -0.180 4.140 4.320 -0.001 0.000 0.209 211 K C 2.461 179.085 176.600 0.041 0.000 1.048 211 K CA 1.149 57.438 56.287 0.004 0.000 0.927 211 K CB -0.181 32.300 32.500 -0.031 0.000 0.712 211 K HN -0.112 nan 8.250 nan 0.000 0.441 212 R N 0.039 120.576 120.500 0.061 0.000 2.094 212 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 212 R C 1.813 178.193 176.300 0.133 0.000 1.137 212 R CA 2.280 58.456 56.100 0.127 0.000 0.943 212 R CB -0.590 29.756 30.300 0.078 0.000 0.850 212 R HN 0.213 nan 8.270 nan 0.000 0.433 213 T N 0.708 115.291 114.554 0.048 0.000 2.821 213 T HA -0.025 4.325 4.350 -0.001 0.000 0.267 213 T C 1.805 176.573 174.700 0.114 0.000 1.046 213 T CA 1.175 63.301 62.100 0.042 0.000 1.139 213 T CB -0.216 68.642 68.868 -0.016 0.000 0.871 213 T HN 0.480 nan 8.240 nan 0.000 0.454 214 A N 1.280 124.146 122.820 0.076 0.000 1.902 214 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 214 A C 2.211 179.844 177.584 0.081 0.000 1.181 214 A CA 1.206 53.277 52.037 0.057 0.000 0.623 214 A CB -0.822 18.189 19.000 0.018 0.000 0.818 214 A HN 0.386 nan 8.150 nan 0.000 0.443 215 L N -1.777 119.519 121.223 0.122 0.000 2.046 215 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 215 L C 2.309 179.333 176.870 0.258 0.000 1.077 215 L CA 2.209 57.142 54.840 0.155 0.000 0.747 215 L CB -0.887 41.286 42.059 0.190 0.000 0.896 215 L HN 0.548 nan 8.230 nan 0.000 0.432 216 Y N 0.412 120.821 120.300 0.183 0.000 2.097 216 Y HA -0.309 4.241 4.550 -0.001 0.000 0.282 216 Y C 2.469 178.380 175.900 0.018 0.000 1.152 216 Y CA 2.201 60.342 58.100 0.068 0.000 1.136 216 Y CB -0.344 38.007 38.460 -0.182 0.000 0.975 216 Y HN 0.328 nan 8.280 nan 0.000 0.498 217 N N 0.453 119.218 118.700 0.109 0.000 2.104 217 N HA -0.192 4.547 4.740 -0.001 0.000 0.190 217 N C 1.870 177.341 175.510 -0.067 0.000 1.024 217 N CA 1.513 54.564 53.050 0.001 0.000 0.853 217 N CB -0.840 37.683 38.487 0.061 0.000 1.008 217 N HN 0.437 nan 8.380 nan 0.000 0.424 218 L N 0.858 122.062 121.223 -0.032 0.000 1.989 218 L HA -0.062 4.278 4.340 -0.001 0.000 0.211 218 L C 2.181 178.990 176.870 -0.103 0.000 1.071 218 L CA 1.409 56.216 54.840 -0.055 0.000 0.749 218 L CB -0.925 41.111 42.059 -0.038 0.000 0.890 218 L HN 0.017 nan 8.230 nan 0.000 0.431 219 V N -0.459 119.389 119.914 -0.109 0.000 2.515 219 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 219 V C 2.725 178.691 176.094 -0.214 0.000 1.058 219 V CA 2.185 64.386 62.300 -0.165 0.000 1.064 219 V CB -0.437 31.322 31.823 -0.107 0.000 0.675 219 V HN 0.688 nan 8.190 nan 0.000 0.461 220 K N -0.523 119.713 120.400 -0.275 0.000 2.057 220 K HA -0.265 4.054 4.320 -0.001 0.000 0.207 220 K C 2.249 178.738 176.600 -0.185 0.000 1.049 220 K CA 2.042 58.151 56.287 -0.297 0.000 0.931 220 K CB -0.167 32.076 32.500 -0.428 0.000 0.714 220 K HN 0.529 nan 8.250 nan 0.000 0.440 221 Q N 1.001 120.714 119.800 -0.146 0.000 2.079 221 Q HA -0.068 4.272 4.340 -0.001 0.000 0.200 221 Q C 1.925 177.860 176.000 -0.108 0.000 0.974 221 Q CA 1.502 57.244 55.803 -0.102 0.000 0.840 221 Q CB -0.231 28.465 28.738 -0.071 0.000 0.898 221 Q HN 0.391 nan 8.270 nan 0.000 0.430 222 L N 0.128 121.272 121.223 -0.133 0.000 2.012 222 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 222 L C 2.399 179.171 176.870 -0.163 0.000 1.073 222 L CA 1.707 56.457 54.840 -0.151 0.000 0.748 222 L CB -0.465 41.469 42.059 -0.209 0.000 0.891 222 L HN 0.209 nan 8.230 nan 0.000 0.431 223 K N -0.149 120.141 120.400 -0.182 0.000 2.147 223 K HA -0.228 4.092 4.320 -0.001 0.000 0.205 223 K C 2.004 178.532 176.600 -0.121 0.000 1.049 223 K CA 1.295 57.483 56.287 -0.166 0.000 0.936 223 K CB -0.107 32.291 32.500 -0.169 0.000 0.722 223 K HN 0.317 nan 8.250 nan 0.000 0.446 224 E N 1.399 121.534 120.200 -0.109 0.000 2.204 224 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 224 E C 0.958 177.516 176.600 -0.069 0.000 0.989 224 E CA 0.964 57.315 56.400 -0.082 0.000 0.824 224 E CB 0.232 29.887 29.700 -0.074 0.000 0.756 224 E HN 0.298 nan 8.360 nan 0.000 0.477 225 E N -1.104 119.051 120.200 -0.074 0.000 2.476 225 E HA 0.076 4.426 4.350 -0.001 0.000 0.191 225 E C 0.740 177.303 176.600 -0.063 0.000 1.064 225 E CA 0.295 56.659 56.400 -0.060 0.000 0.866 225 E CB 0.580 30.248 29.700 -0.054 0.000 0.952 225 E HN 0.447 nan 8.360 nan 0.000 0.492 226 G N 1.145 109.899 108.800 -0.077 0.000 2.159 226 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.256 226 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.256 226 G C 0.405 175.252 174.900 -0.088 0.000 0.977 226 G CA 0.127 45.182 45.100 -0.075 0.000 0.652 226 G HN 0.179 nan 8.290 nan 0.000 0.531 227 V N 3.099 122.946 119.914 -0.111 0.000 2.521 227 V HA 0.327 4.447 4.120 -0.001 0.000 0.286 227 V C -0.977 175.005 176.094 -0.187 0.000 1.034 227 V CA -0.585 61.637 62.300 -0.129 0.000 1.045 227 V CB 1.109 32.835 31.823 -0.161 0.000 0.974 227 V HN 0.302 nan 8.190 nan 0.000 0.480 228 P HA 0.279 nan 4.420 nan 0.000 0.273 228 P C -0.637 176.529 177.300 -0.225 0.000 1.319 228 P CA 0.248 63.269 63.100 -0.132 0.000 0.885 228 P CB 0.661 32.333 31.700 -0.048 0.000 1.015 229 I N 3.108 123.461 120.570 -0.361 0.000 2.500 229 I HA 0.237 4.406 4.170 -0.001 0.000 0.286 229 I C 0.216 176.147 176.117 -0.309 0.000 1.063 229 I CA -0.684 60.314 61.300 -0.503 0.000 1.062 229 I CB 2.027 39.483 38.000 -0.907 0.000 1.223 229 I HN 0.039 nan 8.210 nan 0.000 0.435 230 D N 5.594 125.824 120.400 -0.283 0.000 2.305 230 D HA 0.230 4.870 4.640 -0.001 0.000 0.206 230 D C 0.679 176.735 176.300 -0.407 0.000 0.974 230 D CA 0.601 54.416 54.000 -0.309 0.000 0.871 230 D CB 1.070 41.700 40.800 -0.283 0.000 0.947 230 D HN 0.682 nan 8.370 nan 0.000 0.516 231 G N -0.095 108.355 108.800 -0.584 0.000 2.550 231 G HA2 0.444 4.403 3.960 -0.001 0.000 0.293 231 G HA3 0.444 4.403 3.960 -0.001 0.000 0.293 231 G C -1.674 173.122 174.900 -0.173 0.000 1.402 231 G CA -0.608 44.253 45.100 -0.398 0.000 0.784 231 G HN -0.108 nan 8.290 nan 0.000 0.482 232 I N 0.810 121.340 120.570 -0.067 0.000 2.441 232 I HA 0.546 4.716 4.170 -0.001 0.000 0.295 232 I C 0.741 176.714 176.117 -0.240 0.000 0.994 232 I CA -0.548 60.580 61.300 -0.286 0.000 1.144 232 I CB 1.203 38.708 38.000 -0.826 0.000 1.314 232 I HN 0.636 nan 8.210 nan 0.000 0.445 233 G N 4.983 113.612 108.800 -0.284 0.000 2.335 233 G HA2 0.397 4.356 3.960 -0.001 0.000 0.314 233 G HA3 0.397 4.356 3.960 -0.001 0.000 0.314 233 G C -0.508 174.103 174.900 -0.481 0.000 1.129 233 G CA -0.322 44.596 45.100 -0.304 0.000 0.912 233 G HN 0.612 nan 8.290 nan 0.000 0.443 234 H N 2.948 121.874 119.070 -0.239 0.000 2.685 234 H HA 0.159 4.715 4.556 -0.001 0.000 0.286 234 H C 0.857 176.022 175.328 -0.271 0.000 1.102 234 H CA -0.207 55.698 56.048 -0.238 0.000 1.254 234 H CB 1.770 31.394 29.762 -0.230 0.000 1.397 234 H HN 0.672 nan 8.280 nan 0.000 0.473 235 Q N 1.623 121.309 119.800 -0.190 0.000 2.173 235 Q HA -0.152 4.188 4.340 -0.001 0.000 0.208 235 Q C 0.348 176.074 176.000 -0.458 0.000 0.989 235 Q CA 1.300 56.887 55.803 -0.360 0.000 0.872 235 Q CB 0.069 28.651 28.738 -0.260 0.000 0.909 235 Q HN 0.631 nan 8.270 nan 0.000 0.420 236 S N 0.263 115.815 115.700 -0.247 0.000 3.706 236 S HA -0.118 4.352 4.470 -0.001 0.000 0.363 236 S C -0.734 173.751 174.600 -0.191 0.000 0.999 236 S CA 0.092 58.176 58.200 -0.193 0.000 1.143 236 S CB -1.424 61.669 63.200 -0.179 0.000 0.902 236 S HN 0.408 nan 8.310 nan 0.000 0.476 237 H N 1.106 120.233 119.070 0.095 0.000 2.982 237 H HA 0.411 4.966 4.556 -0.001 0.000 0.261 237 H C 0.926 176.357 175.328 0.171 0.000 1.603 237 H CA 0.136 56.290 56.048 0.177 0.000 1.398 237 H CB -0.403 29.506 29.762 0.246 0.000 1.693 237 H HN 0.706 nan 8.280 nan 0.000 0.535 238 I N -0.924 119.753 120.570 0.179 0.000 3.204 238 I HA 0.488 4.657 4.170 -0.001 0.000 0.313 238 I C -0.103 176.126 176.117 0.187 0.000 1.082 238 I CA -1.184 60.208 61.300 0.154 0.000 1.033 238 I CB 1.564 39.542 38.000 -0.037 0.000 1.304 238 I HN 0.139 nan 8.210 nan 0.000 0.536 239 Q N 0.099 120.032 119.800 0.222 0.000 2.712 239 Q HA 0.494 4.833 4.340 -0.001 0.000 0.267 239 Q C 0.668 176.705 176.000 0.063 0.000 1.062 239 Q CA -0.821 55.082 55.803 0.166 0.000 0.888 239 Q CB 2.427 31.326 28.738 0.268 0.000 1.374 239 Q HN 0.620 nan 8.270 nan 0.000 0.498 240 I N -0.238 120.352 120.570 0.033 0.000 2.315 240 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 240 I C 1.249 177.376 176.117 0.017 0.000 1.117 240 I CA 1.585 62.882 61.300 -0.005 0.000 1.404 240 I CB 0.056 38.048 38.000 -0.014 0.000 1.071 240 I HN 0.774 nan 8.210 nan 0.000 0.419 241 G N -1.669 107.176 108.800 0.075 0.000 3.829 241 G HA2 0.097 4.056 3.960 -0.001 0.000 0.279 241 G HA3 0.097 4.056 3.960 -0.001 0.000 0.279 241 G C -0.796 174.199 174.900 0.157 0.000 1.008 241 G CA -0.248 44.900 45.100 0.081 0.000 0.840 241 G HN 0.267 nan 8.290 nan 0.000 0.474 242 W N 1.275 122.558 121.300 -0.028 0.000 3.097 242 W HA 0.610 5.270 4.660 -0.001 0.000 0.335 242 W C -2.963 173.541 176.519 -0.026 0.000 1.114 242 W CA -2.070 55.264 57.345 -0.020 0.000 1.231 242 W CB 2.531 31.992 29.460 0.001 0.000 1.388 242 W HN -0.139 nan 8.180 nan 0.000 0.485 243 P HA 0.201 nan 4.420 nan 0.000 0.276 243 P C -0.331 176.737 177.300 -0.387 0.000 1.244 243 P CA -0.178 62.325 63.100 -0.996 0.000 0.801 243 P CB 1.128 32.232 31.700 -0.993 0.000 1.006 244 S N 0.306 115.858 115.700 -0.246 0.000 2.584 244 S HA 0.051 4.520 4.470 -0.001 0.000 0.270 244 S C 1.054 175.557 174.600 -0.162 0.000 1.346 244 S CA -0.045 58.073 58.200 -0.136 0.000 1.018 244 S CB 0.292 63.447 63.200 -0.075 0.000 0.899 244 S HN 0.296 nan 8.310 nan 0.000 0.542 245 E N 1.729 121.850 120.200 -0.132 0.000 2.118 245 E HA -0.045 4.305 4.350 -0.001 0.000 0.195 245 E C 2.268 178.796 176.600 -0.120 0.000 0.992 245 E CA 1.592 57.906 56.400 -0.143 0.000 0.804 245 E CB -0.785 28.842 29.700 -0.121 0.000 0.741 245 E HN 0.795 nan 8.360 nan 0.000 0.458 246 A N 1.104 123.868 122.820 -0.093 0.000 1.883 246 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 246 A C 1.976 179.505 177.584 -0.091 0.000 1.186 246 A CA 1.508 53.499 52.037 -0.077 0.000 0.624 246 A CB -0.354 18.612 19.000 -0.057 0.000 0.822 246 A HN 0.074 nan 8.150 nan 0.000 0.444 247 E N -0.131 120.002 120.200 -0.111 0.000 2.150 247 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 247 E C 1.979 178.496 176.600 -0.138 0.000 0.985 247 E CA 0.815 57.141 56.400 -0.123 0.000 0.814 247 E CB -0.359 29.252 29.700 -0.148 0.000 0.752 247 E HN 0.742 nan 8.360 nan 0.000 0.466 248 I N 0.930 121.401 120.570 -0.165 0.000 2.252 248 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 248 I C 2.622 178.661 176.117 -0.131 0.000 1.102 248 I CA 1.173 62.369 61.300 -0.173 0.000 1.385 248 I CB -0.213 37.672 38.000 -0.192 0.000 1.064 248 I HN 0.120 nan 8.210 nan 0.000 0.414 249 E N 1.611 121.747 120.200 -0.106 0.000 2.077 249 E HA -0.296 4.054 4.350 -0.001 0.000 0.193 249 E C 2.248 178.809 176.600 -0.064 0.000 0.989 249 E CA 1.376 57.732 56.400 -0.073 0.000 0.800 249 E CB -0.002 29.662 29.700 -0.061 0.000 0.746 249 E HN 0.296 nan 8.360 nan 0.000 0.452 250 K N -0.315 120.040 120.400 -0.074 0.000 2.097 250 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 250 K C 1.950 178.503 176.600 -0.078 0.000 1.049 250 K CA 1.792 58.031 56.287 -0.079 0.000 0.933 250 K CB -0.045 32.402 32.500 -0.089 0.000 0.717 250 K HN 0.104 nan 8.250 nan 0.000 0.442 251 T N 1.881 116.401 114.554 -0.056 0.000 2.737 251 T HA -0.082 4.267 4.350 -0.001 0.000 0.265 251 T C 1.801 176.582 174.700 0.134 0.000 1.038 251 T CA 1.127 63.246 62.100 0.032 0.000 1.144 251 T CB -0.040 68.846 68.868 0.030 0.000 0.866 251 T HN 0.118 nan 8.240 nan 0.000 0.434 252 I N 2.307 122.883 120.570 0.009 0.000 2.179 252 I HA -0.123 4.046 4.170 -0.001 0.000 0.242 252 I C 2.193 178.367 176.117 0.095 0.000 1.088 252 I CA 1.255 62.578 61.300 0.039 0.000 1.357 252 I CB -1.273 36.693 38.000 -0.057 0.000 1.051 252 I HN 0.233 nan 8.210 nan 0.000 0.409 253 N N 0.700 119.417 118.700 0.028 0.000 2.120 253 N HA -0.182 4.557 4.740 -0.001 0.000 0.188 253 N C 1.918 177.431 175.510 0.004 0.000 1.024 253 N CA 1.068 54.127 53.050 0.016 0.000 0.852 253 N CB -0.393 38.084 38.487 -0.017 0.000 1.003 253 N HN 0.356 nan 8.380 nan 0.000 0.424 254 M N -0.286 119.274 119.600 -0.066 0.000 2.073 254 M HA -0.189 4.291 4.480 -0.001 0.000 0.258 254 M C 1.348 177.586 176.300 -0.103 0.000 1.070 254 M CA 1.752 56.934 55.300 -0.198 0.000 1.103 254 M CB -0.115 32.224 32.600 -0.436 0.000 1.321 254 M HN -0.031 nan 8.290 nan 0.000 0.405 255 F N -0.025 120.015 119.950 0.150 0.000 2.259 255 F HA 0.044 4.570 4.527 -0.001 0.000 0.298 255 F C 2.566 178.419 175.800 0.087 0.000 1.088 255 F CA 1.101 59.192 58.000 0.152 0.000 1.358 255 F CB -0.981 38.109 39.000 0.151 0.000 1.040 255 F HN 0.223 nan 8.300 nan 0.000 0.505 256 A N 0.026 122.980 122.820 0.224 0.000 2.015 256 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 256 A C 2.369 180.007 177.584 0.090 0.000 1.163 256 A CA 1.414 53.532 52.037 0.135 0.000 0.646 256 A CB -1.125 17.936 19.000 0.101 0.000 0.806 256 A HN 0.271 nan 8.150 nan 0.000 0.448 257 A N -0.465 122.403 122.820 0.080 0.000 2.067 257 A HA 0.080 4.400 4.320 -0.001 0.000 0.219 257 A C 1.796 179.412 177.584 0.052 0.000 1.158 257 A CA 1.097 53.167 52.037 0.055 0.000 0.661 257 A CB -0.427 18.599 19.000 0.043 0.000 0.801 257 A HN 0.465 nan 8.150 nan 0.000 0.452 258 L N -1.100 120.161 121.223 0.063 0.000 2.612 258 L HA 0.205 4.545 4.340 -0.001 0.000 0.230 258 L C 1.517 178.387 176.870 -0.000 0.000 1.140 258 L CA 0.451 55.296 54.840 0.008 0.000 0.896 258 L CB -0.246 41.788 42.059 -0.041 0.000 1.065 258 L HN 0.556 nan 8.230 nan 0.000 0.447 259 G N 0.658 109.472 108.800 0.023 0.000 2.143 259 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.248 259 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.248 259 G C 0.034 174.938 174.900 0.007 0.000 0.991 259 G CA -0.127 44.979 45.100 0.011 0.000 0.689 259 G HN 0.247 nan 8.290 nan 0.000 0.522 260 L N 0.344 121.589 121.223 0.037 0.000 2.325 260 L HA 0.558 4.897 4.340 -0.001 0.000 0.279 260 L C 0.583 177.487 176.870 0.056 0.000 1.054 260 L CA -0.981 53.872 54.840 0.020 0.000 0.804 260 L CB 1.191 43.280 42.059 0.051 0.000 1.200 260 L HN 0.202 nan 8.230 nan 0.000 0.436 261 D N 1.712 122.128 120.400 0.027 0.000 2.354 261 D HA 0.191 4.830 4.640 -0.001 0.000 0.247 261 D C -0.819 175.578 176.300 0.162 0.000 1.138 261 D CA -0.076 53.990 54.000 0.109 0.000 0.958 261 D CB 0.772 41.668 40.800 0.160 0.000 1.144 261 D HN 0.348 nan 8.370 nan 0.000 0.458 262 N N 1.794 120.594 118.700 0.167 0.000 2.295 262 N HA 0.268 5.008 4.740 -0.001 0.000 0.293 262 N C -1.205 174.333 175.510 0.046 0.000 1.040 262 N CA -0.506 52.636 53.050 0.153 0.000 0.840 262 N CB 1.949 40.516 38.487 0.134 0.000 1.468 262 N HN 0.443 nan 8.380 nan 0.000 0.478 263 Q N 1.404 121.200 119.800 -0.008 0.000 2.285 263 Q HA 0.431 4.771 4.340 -0.001 0.000 0.269 263 Q C -0.802 175.052 176.000 -0.243 0.000 1.030 263 Q CA -0.857 54.814 55.803 -0.220 0.000 0.788 263 Q CB 2.452 30.968 28.738 -0.370 0.000 1.266 263 Q HN 0.409 nan 8.270 nan 0.000 0.438 264 I N 2.776 123.102 120.570 -0.407 0.000 2.363 264 I HA 0.002 4.171 4.170 -0.001 0.000 0.292 264 I C 1.496 177.402 176.117 -0.353 0.000 1.075 264 I CA 0.479 61.530 61.300 -0.414 0.000 1.333 264 I CB 0.634 38.223 38.000 -0.684 0.000 1.415 264 I HN 0.769 nan 8.210 nan 0.000 0.502 265 T N 1.789 116.170 114.554 -0.289 0.000 3.039 265 T HA 0.205 4.554 4.350 -0.001 0.000 0.250 265 T C 0.670 175.260 174.700 -0.184 0.000 1.052 265 T CA 0.261 62.210 62.100 -0.253 0.000 1.125 265 T CB 0.059 68.760 68.868 -0.278 0.000 0.908 265 T HN 0.544 nan 8.240 nan 0.000 0.473 266 E N 1.073 121.100 120.200 -0.288 0.000 4.017 266 E HA 0.335 4.685 4.350 -0.001 0.000 0.205 266 E C -1.030 175.478 176.600 -0.154 0.000 1.054 266 E CA -0.521 55.742 56.400 -0.228 0.000 1.398 266 E CB 0.672 29.828 29.700 -0.907 0.000 1.164 266 E HN 0.221 nan 8.360 nan 0.000 0.445 267 L N 2.897 124.094 121.223 -0.043 0.000 2.540 267 L HA 0.070 4.409 4.340 -0.001 0.000 0.276 267 L C -0.725 176.421 176.870 0.461 0.000 1.212 267 L CA 0.787 55.663 54.840 0.060 0.000 0.893 267 L CB 0.077 42.061 42.059 -0.125 0.000 1.138 267 L HN 0.185 nan 8.230 nan 0.000 0.491 268 D N 2.927 123.565 120.400 0.395 0.000 2.937 268 D HA 0.319 4.959 4.640 -0.001 0.000 0.215 268 D C -1.292 175.145 176.300 0.228 0.000 1.274 268 D CA -0.512 53.751 54.000 0.438 0.000 0.869 268 D CB 1.116 42.199 40.800 0.472 0.000 1.675 268 D HN 0.192 nan 8.370 nan 0.000 0.538 269 V N 1.529 121.531 119.914 0.146 0.000 2.259 269 V HA 0.420 4.540 4.120 -0.001 0.000 0.267 269 V C 0.606 176.689 176.094 -0.019 0.000 1.051 269 V CA -0.635 61.660 62.300 -0.007 0.000 0.830 269 V CB 0.688 32.367 31.823 -0.239 0.000 1.080 269 V HN 0.733 nan 8.190 nan 0.000 0.467 270 S N 4.818 120.512 115.700 -0.010 0.000 2.573 270 S HA 0.154 4.623 4.470 -0.001 0.000 0.277 270 S C 1.225 175.694 174.600 -0.218 0.000 1.346 270 S CA -0.309 57.834 58.200 -0.093 0.000 1.034 270 S CB 0.521 63.724 63.200 0.006 0.000 0.879 270 S HN 0.605 nan 8.310 nan 0.000 0.528 271 M N 2.748 122.035 119.600 -0.522 0.000 2.556 271 M HA 0.154 4.633 4.480 -0.001 0.000 0.245 271 M C -0.771 175.110 176.300 -0.699 0.000 1.128 271 M CA 0.631 55.514 55.300 -0.694 0.000 1.069 271 M CB -0.818 31.192 32.600 -0.985 0.000 1.469 271 M HN 0.617 nan 8.290 nan 0.000 0.494 272 Y N -1.140 119.142 120.300 -0.031 0.000 2.675 272 Y HA 0.710 5.260 4.550 -0.001 0.000 0.328 272 Y C 1.199 177.088 175.900 -0.019 0.000 1.092 272 Y CA -1.456 56.609 58.100 -0.057 0.000 1.190 272 Y CB -0.231 38.169 38.460 -0.101 0.000 1.350 272 Y HN -0.030 nan 8.280 nan 0.000 0.525 273 G N -0.897 107.980 108.800 0.129 0.000 2.773 273 G HA2 0.317 4.277 3.960 -0.001 0.000 0.186 273 G HA3 0.317 4.277 3.960 -0.001 0.000 0.186 273 G C -1.713 173.264 174.900 0.129 0.000 1.411 273 G CA -0.483 44.658 45.100 0.069 0.000 1.054 273 G HN 0.597 nan 8.290 nan 0.000 0.579 274 W N 0.817 122.014 121.300 -0.172 0.000 3.132 274 W HA 0.443 5.102 4.660 -0.001 0.000 0.337 274 W C -2.516 173.902 176.519 -0.169 0.000 1.082 274 W CA -1.403 55.838 57.345 -0.173 0.000 1.242 274 W CB 1.166 30.494 29.460 -0.220 0.000 1.354 274 W HN 0.307 nan 8.180 nan 0.000 0.461 275 P HA 0.193 nan 4.420 nan 0.000 0.268 275 P C -2.401 174.549 177.300 -0.583 0.000 1.204 275 P CA -0.443 62.076 63.100 -0.967 0.000 0.768 275 P CB 0.345 31.661 31.700 -0.641 0.000 0.842 276 P HA 0.135 nan 4.420 nan 0.000 0.276 276 P C -0.672 176.353 177.300 -0.458 0.000 1.230 276 P CA -0.095 62.807 63.100 -0.330 0.000 0.776 276 P CB 1.078 32.684 31.700 -0.157 0.000 0.888 277 R N 2.286 122.425 120.500 -0.602 0.000 2.310 277 R HA 0.590 4.930 4.340 -0.001 0.000 0.316 277 R C 0.052 175.787 176.300 -0.942 0.000 1.004 277 R CA -0.592 55.071 56.100 -0.728 0.000 0.900 277 R CB 1.622 31.402 30.300 -0.866 0.000 1.152 277 R HN 0.524 nan 8.270 nan 0.000 0.513 278 A N 2.741 124.976 122.820 -0.976 0.000 2.252 278 A HA 0.477 4.796 4.320 -0.001 0.000 0.305 278 A C -0.813 176.387 177.584 -0.641 0.000 1.097 278 A CA -0.433 50.823 52.037 -1.302 0.000 0.849 278 A CB 0.378 18.852 19.000 -0.875 0.000 1.142 278 A HN 0.566 nan 8.150 nan 0.000 0.499 279 Y N 0.572 120.719 120.300 -0.255 0.000 2.304 279 Y HA 0.274 4.823 4.550 -0.001 0.000 0.327 279 Y C -0.968 174.889 175.900 -0.072 0.000 1.209 279 Y CA -1.212 56.831 58.100 -0.094 0.000 1.299 279 Y CB 0.715 39.180 38.460 0.008 0.000 1.249 279 Y HN 0.528 nan 8.280 nan 0.000 0.519 280 P HA -0.066 nan 4.420 nan 0.000 0.219 280 P C 0.024 177.402 177.300 0.129 0.000 1.150 280 P CA 1.262 64.418 63.100 0.094 0.000 0.814 280 P CB 0.414 32.181 31.700 0.113 0.000 0.787 281 T N -5.831 108.815 114.554 0.154 0.000 2.865 281 T HA 0.290 4.639 4.350 -0.001 0.000 0.294 281 T C 0.390 175.188 174.700 0.164 0.000 1.119 281 T CA -0.684 61.511 62.100 0.158 0.000 1.007 281 T CB 1.030 69.981 68.868 0.137 0.000 1.225 281 T HN -0.195 nan 8.240 nan 0.000 0.515 282 Y N 0.799 121.152 120.300 0.088 0.000 2.242 282 Y HA -0.059 4.490 4.550 -0.001 0.000 0.291 282 Y C 2.005 177.944 175.900 0.066 0.000 1.137 282 Y CA 1.900 60.052 58.100 0.087 0.000 1.181 282 Y CB -0.194 38.316 38.460 0.084 0.000 0.989 282 Y HN 0.701 nan 8.280 nan 0.000 0.527 283 D N -0.239 120.270 120.400 0.182 0.000 2.264 283 D HA -0.117 4.523 4.640 -0.001 0.000 0.208 283 D C 2.068 178.366 176.300 -0.004 0.000 0.966 283 D CA 1.100 55.164 54.000 0.107 0.000 0.864 283 D CB -0.227 40.643 40.800 0.117 0.000 0.933 283 D HN 0.475 nan 8.370 nan 0.000 0.499 284 A N 0.700 123.498 122.820 -0.036 0.000 2.119 284 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 284 A C 1.328 178.636 177.584 -0.461 0.000 1.153 284 A CA 0.060 52.046 52.037 -0.085 0.000 0.692 284 A CB -0.350 18.707 19.000 0.096 0.000 0.799 284 A HN 0.156 nan 8.150 nan 0.000 0.458 285 I N 2.836 123.020 120.570 -0.644 0.000 2.494 285 I HA 0.115 4.284 4.170 -0.001 0.000 0.289 285 I C -1.885 173.959 176.117 -0.455 0.000 1.106 285 I CA -1.654 59.047 61.300 -0.999 0.000 1.369 285 I CB 0.655 38.140 38.000 -0.858 0.000 1.410 285 I HN 0.180 nan 8.210 nan 0.000 0.523 286 P HA 0.117 nan 4.420 nan 0.000 0.274 286 P C 0.011 177.325 177.300 0.023 0.000 1.237 286 P CA -0.456 62.581 63.100 -0.105 0.000 0.793 286 P CB 1.060 32.720 31.700 -0.068 0.000 0.977 287 K N 0.775 121.270 120.400 0.159 0.000 2.152 287 K HA -0.216 4.104 4.320 -0.001 0.000 0.206 287 K C 2.121 178.834 176.600 0.188 0.000 1.048 287 K CA 1.689 58.145 56.287 0.282 0.000 0.933 287 K CB -0.209 32.407 32.500 0.194 0.000 0.721 287 K HN 0.392 nan 8.250 nan 0.000 0.447 288 Q N 0.985 120.832 119.800 0.078 0.000 2.112 288 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 288 Q C 1.862 177.861 176.000 -0.001 0.000 0.987 288 Q CA 1.534 57.365 55.803 0.047 0.000 0.858 288 Q CB 0.034 28.790 28.738 0.029 0.000 0.905 288 Q HN 0.095 nan 8.270 nan 0.000 0.420 289 K N -0.371 119.953 120.400 -0.127 0.000 2.057 289 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 289 K C 1.882 178.314 176.600 -0.281 0.000 1.049 289 K CA 1.082 57.209 56.287 -0.267 0.000 0.931 289 K CB -0.384 31.822 32.500 -0.491 0.000 0.714 289 K HN 0.246 nan 8.250 nan 0.000 0.440 290 F N 1.164 121.109 119.950 -0.009 0.000 2.365 290 F HA -0.033 4.493 4.527 -0.001 0.000 0.300 290 F C 2.170 178.025 175.800 0.092 0.000 1.090 290 F CA 0.627 58.643 58.000 0.027 0.000 1.408 290 F CB -0.522 38.491 39.000 0.022 0.000 1.060 290 F HN -0.105 nan 8.300 nan 0.000 0.534 291 L N -0.716 120.649 121.223 0.236 0.000 2.095 291 L HA -0.138 4.201 4.340 -0.001 0.000 0.204 291 L C 1.999 178.978 176.870 0.181 0.000 1.080 291 L CA 0.981 55.958 54.840 0.228 0.000 0.759 291 L CB -0.534 41.632 42.059 0.177 0.000 0.914 291 L HN -0.009 nan 8.230 nan 0.000 0.439 292 D N -0.270 120.192 120.400 0.104 0.000 2.144 292 D HA -0.217 4.422 4.640 -0.001 0.000 0.200 292 D C 2.105 178.454 176.300 0.082 0.000 0.978 292 D CA 1.011 55.056 54.000 0.076 0.000 0.833 292 D CB 0.044 40.860 40.800 0.026 0.000 0.961 292 D HN 0.339 nan 8.370 nan 0.000 0.470 293 Q N 0.343 120.192 119.800 0.083 0.000 2.079 293 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 293 Q C 2.016 178.151 176.000 0.224 0.000 0.974 293 Q CA 1.427 57.301 55.803 0.118 0.000 0.840 293 Q CB 0.003 28.818 28.738 0.129 0.000 0.898 293 Q HN 0.166 nan 8.270 nan 0.000 0.430 294 A N 0.844 123.802 122.820 0.229 0.000 1.902 294 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 294 A C 2.291 179.945 177.584 0.116 0.000 1.181 294 A CA 1.674 53.815 52.037 0.172 0.000 0.623 294 A CB -0.976 18.157 19.000 0.222 0.000 0.818 294 A HN 0.562 nan 8.150 nan 0.000 0.443 295 A N -0.063 122.873 122.820 0.193 0.000 1.933 295 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 295 A C 2.172 179.818 177.584 0.104 0.000 1.175 295 A CA 2.178 54.327 52.037 0.186 0.000 0.628 295 A CB -0.431 18.676 19.000 0.178 0.000 0.814 295 A HN 0.514 nan 8.150 nan 0.000 0.444 296 R N -1.251 119.293 120.500 0.073 0.000 2.073 296 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 296 R C 1.774 178.067 176.300 -0.011 0.000 1.134 296 R CA 1.937 58.034 56.100 -0.006 0.000 0.952 296 R CB -1.166 29.095 30.300 -0.064 0.000 0.850 296 R HN 0.487 nan 8.270 nan 0.000 0.433 297 Y N 0.852 121.172 120.300 0.034 0.000 2.207 297 Y HA -0.184 4.366 4.550 -0.001 0.000 0.287 297 Y C 2.077 178.017 175.900 0.068 0.000 1.156 297 Y CA 2.146 60.296 58.100 0.084 0.000 1.182 297 Y CB -0.622 37.854 38.460 0.026 0.000 0.979 297 Y HN 0.336 nan 8.280 nan 0.000 0.521 298 D N -0.413 120.066 120.400 0.132 0.000 2.084 298 D HA -0.160 4.480 4.640 -0.001 0.000 0.194 298 D C 2.161 178.515 176.300 0.090 0.000 0.990 298 D CA 1.573 55.614 54.000 0.068 0.000 0.826 298 D CB -0.031 40.785 40.800 0.027 0.000 0.971 298 D HN 0.155 nan 8.370 nan 0.000 0.453 299 R N -0.633 119.896 120.500 0.047 0.000 2.073 299 R HA -0.089 4.251 4.340 -0.001 0.000 0.234 299 R C 2.329 178.572 176.300 -0.095 0.000 1.134 299 R CA 0.920 57.015 56.100 -0.009 0.000 0.952 299 R CB -0.541 29.741 30.300 -0.030 0.000 0.850 299 R HN 0.228 nan 8.270 nan 0.000 0.433 300 L N 0.057 121.190 121.223 -0.150 0.000 1.970 300 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 300 L C 1.816 178.295 176.870 -0.653 0.000 1.071 300 L CA 1.833 56.403 54.840 -0.451 0.000 0.751 300 L CB -0.467 41.347 42.059 -0.408 0.000 0.889 300 L HN 0.027 nan 8.230 nan 0.000 0.432 301 F N -0.394 119.394 119.950 -0.270 0.000 2.604 301 F HA -0.083 4.443 4.527 -0.001 0.000 0.298 301 F C 2.394 178.232 175.800 0.064 0.000 1.131 301 F CA 1.067 59.033 58.000 -0.058 0.000 1.457 301 F CB -0.413 38.665 39.000 0.130 0.000 1.095 301 F HN 0.136 nan 8.300 nan 0.000 0.574 302 K N 0.129 120.601 120.400 0.121 0.000 2.116 302 K HA -0.106 4.213 4.320 -0.001 0.000 0.203 302 K C 2.063 178.698 176.600 0.058 0.000 1.052 302 K CA 0.684 57.042 56.287 0.118 0.000 0.952 302 K CB -0.170 32.377 32.500 0.080 0.000 0.729 302 K HN 0.216 nan 8.250 nan 0.000 0.446 303 L N 0.468 121.649 121.223 -0.070 0.000 2.056 303 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 303 L C 1.753 178.637 176.870 0.023 0.000 1.078 303 L CA 1.649 56.440 54.840 -0.081 0.000 0.749 303 L CB -0.590 41.345 42.059 -0.206 0.000 0.901 303 L HN 0.165 nan 8.230 nan 0.000 0.433 304 Y N 0.710 120.954 120.300 -0.094 0.000 2.181 304 Y HA -0.182 4.368 4.550 -0.001 0.000 0.288 304 Y C 2.608 178.626 175.900 0.197 0.000 1.146 304 Y CA 1.335 59.364 58.100 -0.118 0.000 1.164 304 Y CB -0.907 37.278 38.460 -0.458 0.000 0.982 304 Y HN 0.375 nan 8.280 nan 0.000 0.515 305 E N 0.183 120.643 120.200 0.433 0.000 2.051 305 E HA -0.244 4.106 4.350 -0.001 0.000 0.192 305 E C 2.195 178.932 176.600 0.228 0.000 0.991 305 E CA 1.247 57.865 56.400 0.365 0.000 0.799 305 E CB -0.232 29.648 29.700 0.301 0.000 0.748 305 E HN 0.370 nan 8.360 nan 0.000 0.449 306 K N 0.999 121.500 120.400 0.168 0.000 2.160 306 K HA -0.148 4.171 4.320 -0.001 0.000 0.206 306 K C 1.543 178.208 176.600 0.109 0.000 1.047 306 K CA 1.042 57.396 56.287 0.111 0.000 0.930 306 K CB 0.024 32.569 32.500 0.074 0.000 0.720 306 K HN 0.105 nan 8.250 nan 0.000 0.450 307 L N 1.033 122.336 121.223 0.134 0.000 2.818 307 L HA 0.097 4.437 4.340 -0.001 0.000 0.243 307 L C 1.708 178.666 176.870 0.148 0.000 1.185 307 L CA -0.103 54.803 54.840 0.110 0.000 0.988 307 L CB 0.451 42.556 42.059 0.075 0.000 1.292 307 L HN 0.165 nan 8.230 nan 0.000 0.519 308 S N -1.285 114.547 115.700 0.219 0.000 2.420 308 S HA -0.229 4.241 4.470 -0.001 0.000 0.237 308 S C 1.358 176.069 174.600 0.186 0.000 1.023 308 S CA 1.344 59.716 58.200 0.286 0.000 0.991 308 S CB -0.225 63.099 63.200 0.206 0.000 0.792 308 S HN 0.430 nan 8.310 nan 0.000 0.488 309 D N 1.455 121.930 120.400 0.125 0.000 2.348 309 D HA 0.074 4.713 4.640 -0.001 0.000 0.216 309 D C 1.376 177.731 176.300 0.092 0.000 0.970 309 D CA 0.792 54.850 54.000 0.097 0.000 0.889 309 D CB 0.058 40.902 40.800 0.074 0.000 0.912 309 D HN 0.615 nan 8.370 nan 0.000 0.524 310 K N -0.495 119.959 120.400 0.091 0.000 2.402 310 K HA 0.282 4.601 4.320 -0.001 0.000 0.203 310 K C 0.386 177.022 176.600 0.058 0.000 1.077 310 K CA 0.053 56.385 56.287 0.076 0.000 1.051 310 K CB 1.820 34.358 32.500 0.064 0.000 0.907 310 K HN -0.019 nan 8.250 nan 0.000 0.554 311 I N 1.320 121.922 120.570 0.053 0.000 2.418 311 I HA 0.060 4.229 4.170 -0.001 0.000 0.287 311 I C 0.803 176.956 176.117 0.061 0.000 1.008 311 I CA -0.358 60.917 61.300 -0.041 0.000 1.104 311 I CB 2.050 39.889 38.000 -0.269 0.000 1.264 311 I HN -0.003 nan 8.210 nan 0.000 0.438 312 S N 3.734 119.448 115.700 0.022 0.000 2.511 312 S HA 0.160 4.629 4.470 -0.001 0.000 0.214 312 S C 0.434 175.034 174.600 0.000 0.000 0.997 312 S CA -0.192 58.052 58.200 0.074 0.000 0.908 312 S CB 0.081 63.339 63.200 0.097 0.000 0.803 312 S HN 0.773 nan 8.310 nan 0.000 0.504 313 N N -0.063 118.537 118.700 -0.167 0.000 2.636 313 N HA 0.289 5.028 4.740 -0.001 0.000 0.261 313 N C -2.383 172.860 175.510 -0.445 0.000 1.195 313 N CA -0.347 52.561 53.050 -0.237 0.000 0.902 313 N CB 2.179 40.464 38.487 -0.337 0.000 1.627 313 N HN -0.002 nan 8.380 nan 0.000 0.491 314 V N 2.113 121.785 119.914 -0.404 0.000 2.447 314 V HA 0.421 4.540 4.120 -0.001 0.000 0.292 314 V C -0.374 175.549 176.094 -0.285 0.000 1.021 314 V CA -0.379 61.593 62.300 -0.548 0.000 0.850 314 V CB 1.325 32.668 31.823 -0.800 0.000 1.005 314 V HN 0.684 nan 8.190 nan 0.000 0.426 315 T N 5.324 119.713 114.554 -0.275 0.000 2.823 315 T HA 0.668 5.017 4.350 -0.001 0.000 0.279 315 T C -0.561 174.089 174.700 -0.084 0.000 0.998 315 T CA -0.186 61.858 62.100 -0.094 0.000 0.994 315 T CB 0.974 69.810 68.868 -0.054 0.000 0.960 315 T HN 0.250 nan 8.240 nan 0.000 0.448 316 F N 1.277 121.339 119.950 0.186 0.000 2.385 316 F HA 0.304 4.830 4.527 -0.001 0.000 0.336 316 F C 0.670 176.633 175.800 0.271 0.000 1.100 316 F CA -0.852 57.319 58.000 0.284 0.000 1.116 316 F CB 0.985 40.130 39.000 0.240 0.000 1.166 316 F HN 0.596 nan 8.300 nan 0.000 0.511 317 W N 4.833 126.387 121.300 0.423 0.000 1.564 317 W HA 0.446 5.105 4.660 -0.001 0.000 0.448 317 W C 0.021 176.773 176.519 0.389 0.000 0.601 317 W CA 0.111 57.639 57.345 0.307 0.000 2.326 317 W CB -0.265 29.415 29.460 0.367 0.000 1.355 317 W HN 0.661 nan 8.180 nan 0.000 0.382 318 G N 0.358 109.115 108.800 -0.071 0.000 2.352 318 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.302 318 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.302 318 G C -0.349 174.070 174.900 -0.801 0.000 1.370 318 G CA -0.764 44.124 45.100 -0.353 0.000 0.918 318 G HN 0.101 nan 8.290 nan 0.000 0.610 319 I N 0.394 120.598 120.570 -0.611 0.000 2.900 319 I HA 0.530 4.700 4.170 -0.001 0.000 0.251 319 I C 1.313 177.249 176.117 -0.303 0.000 1.102 319 I CA 0.894 61.927 61.300 -0.445 0.000 1.457 319 I CB 0.237 38.101 38.000 -0.226 0.000 1.285 319 I HN 0.800 nan 8.210 nan 0.000 0.459 320 A N 0.052 122.792 122.820 -0.135 0.000 2.527 320 A HA 0.367 4.686 4.320 -0.001 0.000 0.293 320 A C -0.401 177.383 177.584 0.332 0.000 1.117 320 A CA -0.465 51.621 52.037 0.082 0.000 0.723 320 A CB 0.940 19.804 19.000 -0.227 0.000 1.313 320 A HN 0.125 nan 8.150 nan 0.000 0.411 321 D N 0.440 121.035 120.400 0.326 0.000 2.357 321 D HA -0.176 4.463 4.640 -0.001 0.000 0.216 321 D C 1.445 177.789 176.300 0.073 0.000 0.973 321 D CA 1.880 56.022 54.000 0.235 0.000 0.912 321 D CB -0.302 40.587 40.800 0.148 0.000 0.900 321 D HN 0.773 nan 8.370 nan 0.000 0.501 322 N N -0.903 117.781 118.700 -0.028 0.000 2.550 322 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 322 N C 0.363 175.981 175.510 0.181 0.000 1.110 322 N CA 0.279 53.322 53.050 -0.012 0.000 0.912 322 N CB 0.053 38.486 38.487 -0.091 0.000 0.968 322 N HN 0.136 nan 8.380 nan 0.000 0.448 323 H N -0.438 118.728 119.070 0.160 0.000 3.181 323 H HA 0.371 4.926 4.556 -0.001 0.000 0.331 323 H C -1.771 173.768 175.328 0.351 0.000 0.988 323 H CA -0.575 55.605 56.048 0.221 0.000 1.449 323 H CB 1.741 31.630 29.762 0.212 0.000 1.749 323 H HN 0.024 nan 8.280 nan 0.000 0.501 324 T N 5.428 119.913 114.554 -0.116 0.000 3.193 324 T HA 0.081 4.431 4.350 -0.001 0.000 0.332 324 T C 0.318 175.061 174.700 0.071 0.000 1.208 324 T CA -0.450 61.710 62.100 0.100 0.000 1.080 324 T CB 0.276 69.235 68.868 0.151 0.000 1.180 324 T HN 0.722 nan 8.240 nan 0.000 0.469 325 W N 5.635 126.958 121.300 0.038 0.000 2.468 325 W HA 0.046 4.705 4.660 -0.001 0.000 0.262 325 W C 0.719 177.298 176.519 0.100 0.000 1.241 325 W CA 0.259 57.661 57.345 0.095 0.000 1.232 325 W CB -1.090 28.510 29.460 0.233 0.000 1.124 325 W HN 0.634 nan 8.180 nan 0.000 0.597 326 L N 1.178 122.046 121.223 -0.592 0.000 2.362 326 L HA -0.170 4.170 4.340 -0.001 0.000 0.219 326 L C 2.004 178.721 176.870 -0.255 0.000 1.134 326 L CA 1.256 55.711 54.840 -0.641 0.000 0.807 326 L CB -0.731 41.092 42.059 -0.393 0.000 0.927 326 L HN -0.167 nan 8.230 nan 0.000 0.447 327 D N -0.413 119.922 120.400 -0.109 0.000 2.219 327 D HA -0.132 4.508 4.640 -0.001 0.000 0.205 327 D C 2.339 178.619 176.300 -0.033 0.000 0.970 327 D CA 1.513 55.501 54.000 -0.021 0.000 0.851 327 D CB 0.050 40.869 40.800 0.033 0.000 0.943 327 D HN 0.352 nan 8.370 nan 0.000 0.488 328 S N 0.026 115.700 115.700 -0.043 0.000 2.481 328 S HA -0.046 4.423 4.470 -0.001 0.000 0.231 328 S C 1.748 176.316 174.600 -0.053 0.000 0.996 328 S CA 0.403 58.598 58.200 -0.009 0.000 0.942 328 S CB 0.004 63.246 63.200 0.070 0.000 0.768 328 S HN 0.125 nan 8.310 nan 0.000 0.520 329 R N 0.825 121.248 120.500 -0.128 0.000 2.334 329 R HA 0.428 4.767 4.340 -0.001 0.000 0.212 329 R C 0.678 176.902 176.300 -0.126 0.000 0.897 329 R CA 0.483 56.508 56.100 -0.126 0.000 1.056 329 R CB 0.156 30.363 30.300 -0.155 0.000 1.046 329 R HN 0.391 nan 8.270 nan 0.000 0.513 330 A N 2.237 124.997 122.820 -0.099 0.000 2.981 330 A HA 0.050 4.370 4.320 -0.001 0.000 0.280 330 A C -0.827 176.667 177.584 -0.151 0.000 1.797 330 A CA -0.187 51.781 52.037 -0.116 0.000 1.456 330 A CB -0.444 18.541 19.000 -0.026 0.000 1.057 330 A HN 0.064 nan 8.150 nan 0.000 0.602 331 D N 0.906 121.199 120.400 -0.178 0.000 2.351 331 D HA 0.291 4.930 4.640 -0.001 0.000 0.251 331 D C -0.095 176.118 176.300 -0.145 0.000 1.137 331 D CA 0.257 54.163 54.000 -0.157 0.000 0.879 331 D CB 1.549 42.252 40.800 -0.162 0.000 1.181 331 D HN 0.149 nan 8.370 nan 0.000 0.448 332 V N 3.563 123.384 119.914 -0.155 0.000 2.350 332 V HA 0.141 4.261 4.120 -0.001 0.000 0.276 332 V C -0.413 175.528 176.094 -0.256 0.000 1.028 332 V CA -0.764 61.415 62.300 -0.202 0.000 0.860 332 V CB 0.061 31.781 31.823 -0.172 0.000 0.990 332 V HN 0.325 nan 8.190 nan 0.000 0.453 333 Y N 4.185 124.191 120.300 -0.490 0.000 2.299 333 Y HA 0.593 5.142 4.550 -0.001 0.000 0.326 333 Y C -0.263 175.349 175.900 -0.480 0.000 1.164 333 Y CA -0.818 57.047 58.100 -0.391 0.000 1.234 333 Y CB 0.939 39.109 38.460 -0.482 0.000 1.219 333 Y HN 0.517 nan 8.280 nan 0.000 0.497 334 Y N 1.281 121.629 120.300 0.081 0.000 2.442 334 Y HA 0.271 4.820 4.550 -0.001 0.000 0.344 334 Y C -0.194 175.769 175.900 0.104 0.000 0.976 334 Y CA -1.598 56.540 58.100 0.063 0.000 1.040 334 Y CB 1.347 39.816 38.460 0.015 0.000 1.228 334 Y HN 0.619 nan 8.280 nan 0.000 0.451 335 D N 0.705 121.235 120.400 0.218 0.000 2.433 335 D HA 0.325 4.964 4.640 -0.001 0.000 0.255 335 D C 1.103 177.472 176.300 0.115 0.000 1.226 335 D CA -0.209 53.879 54.000 0.148 0.000 1.015 335 D CB 0.608 41.465 40.800 0.095 0.000 1.091 335 D HN 0.542 nan 8.370 nan 0.000 0.527 336 A N -0.175 122.682 122.820 0.062 0.000 2.131 336 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 336 A C 1.404 179.008 177.584 0.032 0.000 1.158 336 A CA 1.012 53.069 52.037 0.032 0.000 0.665 336 A CB -0.716 18.290 19.000 0.010 0.000 0.795 336 A HN 0.557 nan 8.150 nan 0.000 0.460 337 N N -0.849 117.879 118.700 0.047 0.000 2.270 337 N HA 0.162 4.901 4.740 -0.001 0.000 0.198 337 N C 1.030 176.572 175.510 0.052 0.000 1.117 337 N CA 0.882 53.956 53.050 0.039 0.000 0.845 337 N CB 0.485 38.995 38.487 0.038 0.000 0.980 337 N HN 0.605 nan 8.380 nan 0.000 0.486 338 G N 1.098 109.947 108.800 0.081 0.000 2.136 338 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.242 338 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.242 338 G C -0.256 174.791 174.900 0.243 0.000 0.989 338 G CA -0.320 44.833 45.100 0.089 0.000 0.682 338 G HN 0.280 nan 8.290 nan 0.000 0.522 339 N N -0.034 118.807 118.700 0.235 0.000 2.443 339 N HA 0.476 5.215 4.740 -0.001 0.000 0.295 339 N C 0.621 176.210 175.510 0.133 0.000 1.076 339 N CA -0.419 52.749 53.050 0.197 0.000 0.919 339 N CB 2.074 40.618 38.487 0.094 0.000 1.176 339 N HN 0.055 nan 8.380 nan 0.000 0.487 340 V N 1.527 121.429 119.914 -0.020 0.000 2.788 340 V HA 0.004 4.124 4.120 -0.001 0.000 0.307 340 V C 0.426 176.393 176.094 -0.211 0.000 1.069 340 V CA 0.048 62.151 62.300 -0.328 0.000 1.173 340 V CB 0.717 32.369 31.823 -0.285 0.000 0.925 340 V HN 0.299 nan 8.190 nan 0.000 0.492 341 V N 5.321 125.076 119.914 -0.264 0.000 2.376 341 V HA 0.261 4.381 4.120 -0.001 0.000 0.287 341 V C 0.397 176.295 176.094 -0.326 0.000 1.015 341 V CA -0.169 62.011 62.300 -0.201 0.000 0.834 341 V CB 1.514 33.280 31.823 -0.094 0.000 1.001 341 V HN 0.674 nan 8.190 nan 0.000 0.428 342 V N 2.031 121.745 119.914 -0.333 0.000 3.085 342 V HA 0.090 4.209 4.120 -0.001 0.000 0.245 342 V C 0.978 176.876 176.094 -0.326 0.000 1.114 342 V CA 0.463 62.507 62.300 -0.427 0.000 1.108 342 V CB 0.215 31.725 31.823 -0.521 0.000 0.798 342 V HN 0.973 nan 8.190 nan 0.000 0.471 343 D N 2.447 122.710 120.400 -0.229 0.000 2.451 343 D HA -0.017 4.623 4.640 -0.001 0.000 0.254 343 D C -1.111 175.056 176.300 -0.222 0.000 1.204 343 D CA -1.531 52.365 54.000 -0.173 0.000 0.896 343 D CB 1.401 42.133 40.800 -0.112 0.000 1.136 343 D HN 0.187 nan 8.370 nan 0.000 0.499 344 P HA -0.106 nan 4.420 nan 0.000 0.225 344 P C 0.234 177.420 177.300 -0.190 0.000 1.148 344 P CA 0.697 63.644 63.100 -0.256 0.000 0.779 344 P CB 0.433 32.014 31.700 -0.198 0.000 0.780 345 N N -0.612 118.014 118.700 -0.124 0.000 2.220 345 N HA 0.132 4.871 4.740 -0.001 0.000 0.195 345 N C 0.756 176.242 175.510 -0.040 0.000 1.123 345 N CA -0.023 52.984 53.050 -0.072 0.000 0.874 345 N CB 0.456 38.913 38.487 -0.051 0.000 0.995 345 N HN 0.096 nan 8.380 nan 0.000 0.498 346 A N 2.157 124.947 122.820 -0.051 0.000 2.351 346 A HA 0.490 4.810 4.320 -0.001 0.000 0.257 346 A C -2.157 175.471 177.584 0.075 0.000 1.087 346 A CA -0.782 51.251 52.037 -0.007 0.000 0.798 346 A CB -0.104 18.879 19.000 -0.028 0.000 1.033 346 A HN -0.060 nan 8.150 nan 0.000 0.488 347 P HA 0.487 nan 4.420 nan 0.000 0.274 347 P C -1.137 176.285 177.300 0.203 0.000 1.231 347 P CA 0.253 63.420 63.100 0.111 0.000 0.790 347 P CB 0.423 32.132 31.700 0.015 0.000 0.951 348 Y N -1.213 119.105 120.300 0.030 0.000 2.644 348 Y HA 0.805 5.354 4.550 -0.001 0.000 0.338 348 Y C 0.297 176.220 175.900 0.039 0.000 1.119 348 Y CA -1.285 56.849 58.100 0.057 0.000 1.060 348 Y CB 0.373 38.919 38.460 0.143 0.000 1.294 348 Y HN 0.305 nan 8.280 nan 0.000 0.472 349 A N 0.887 123.746 122.820 0.064 0.000 1.970 349 A HA 0.369 4.688 4.320 -0.001 0.000 0.204 349 A C 0.291 177.882 177.584 0.012 0.000 1.325 349 A CA 0.781 52.795 52.037 -0.039 0.000 0.767 349 A CB -0.027 18.981 19.000 0.014 0.000 0.949 349 A HN 0.744 nan 8.150 nan 0.000 0.481 350 K N -1.585 118.908 120.400 0.155 0.000 2.439 350 K HA 0.752 5.072 4.320 -0.001 0.000 0.260 350 K C -1.677 174.976 176.600 0.089 0.000 1.032 350 K CA -0.763 55.589 56.287 0.109 0.000 0.882 350 K CB 2.083 34.608 32.500 0.043 0.000 1.420 350 K HN -0.044 nan 8.250 nan 0.000 0.455 351 V N 0.807 120.677 119.914 -0.074 0.000 2.686 351 V HA 0.273 4.393 4.120 -0.001 0.000 0.306 351 V C -1.163 174.834 176.094 -0.161 0.000 1.065 351 V CA -0.755 61.356 62.300 -0.315 0.000 0.894 351 V CB 1.685 33.130 31.823 -0.631 0.000 1.004 351 V HN 0.815 nan 8.190 nan 0.000 0.424 352 E N 3.585 123.728 120.200 -0.095 0.000 2.103 352 E HA 0.291 4.641 4.350 -0.001 0.000 0.254 352 E C -0.636 175.914 176.600 -0.083 0.000 0.940 352 E CA -0.537 55.843 56.400 -0.033 0.000 0.771 352 E CB 1.013 30.766 29.700 0.088 0.000 1.153 352 E HN 0.515 nan 8.360 nan 0.000 0.428 353 K N 0.651 120.988 120.400 -0.106 0.000 2.484 353 K HA 0.034 4.353 4.320 -0.001 0.000 0.280 353 K C 1.032 177.595 176.600 -0.062 0.000 1.013 353 K CA 0.609 56.834 56.287 -0.104 0.000 1.029 353 K CB 0.370 32.816 32.500 -0.090 0.000 0.902 353 K HN 0.771 nan 8.250 nan 0.000 0.481 354 G N 2.651 111.410 108.800 -0.068 0.000 2.296 354 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.282 354 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.282 354 G C 0.581 175.472 174.900 -0.015 0.000 1.014 354 G CA 0.300 45.377 45.100 -0.039 0.000 0.812 354 G HN 0.565 nan 8.290 nan 0.000 0.508 355 K N -0.112 120.279 120.400 -0.015 0.000 2.353 355 K HA 0.200 4.519 4.320 -0.001 0.000 0.195 355 K C 1.759 178.376 176.600 0.029 0.000 1.031 355 K CA 0.695 56.992 56.287 0.017 0.000 1.079 355 K CB 0.505 33.025 32.500 0.034 0.000 0.857 355 K HN 0.456 nan 8.250 nan 0.000 0.535 356 G N 0.813 109.614 108.800 0.001 0.000 2.510 356 G HA2 0.257 4.216 3.960 -0.001 0.000 0.280 356 G HA3 0.257 4.216 3.960 -0.001 0.000 0.280 356 G C -0.513 174.431 174.900 0.072 0.000 1.386 356 G CA -0.196 44.914 45.100 0.016 0.000 1.047 356 G HN -0.117 nan 8.290 nan 0.000 0.527 357 K N -0.060 120.420 120.400 0.133 0.000 2.468 357 K HA 0.368 4.688 4.320 -0.001 0.000 0.252 357 K C -1.705 175.063 176.600 0.280 0.000 0.932 357 K CA -0.561 55.845 56.287 0.199 0.000 0.794 357 K CB 2.488 35.133 32.500 0.242 0.000 1.241 357 K HN 0.542 nan 8.250 nan 0.000 0.428 358 D N 0.630 121.168 120.400 0.229 0.000 2.374 358 D HA 0.647 5.287 4.640 -0.001 0.000 0.239 358 D C -1.342 175.027 176.300 0.116 0.000 0.991 358 D CA -0.473 53.621 54.000 0.157 0.000 0.960 358 D CB 1.998 42.849 40.800 0.085 0.000 1.284 358 D HN 0.480 nan 8.370 nan 0.000 0.512 359 A N 2.645 125.470 122.820 0.008 0.000 2.943 359 A HA 0.465 4.784 4.320 -0.001 0.000 0.327 359 A C -2.152 175.432 177.584 0.000 0.000 1.141 359 A CA -0.983 51.157 52.037 0.172 0.000 0.773 359 A CB 1.252 20.448 19.000 0.328 0.000 1.143 359 A HN 0.288 nan 8.150 nan 0.000 0.463 360 P HA -0.064 nan 4.420 nan 0.000 0.215 360 P C 0.315 177.560 177.300 -0.091 0.000 1.157 360 P CA 1.263 64.129 63.100 -0.391 0.000 0.863 360 P CB 0.042 31.038 31.700 -1.174 0.000 0.787 361 F N -1.552 118.517 119.950 0.198 0.000 2.251 361 F HA 0.154 4.681 4.527 -0.001 0.000 0.302 361 F C 1.834 177.469 175.800 -0.274 0.000 1.143 361 F CA -0.794 57.198 58.000 -0.013 0.000 1.104 361 F CB -0.955 37.998 39.000 -0.079 0.000 1.516 361 F HN -0.377 nan 8.300 nan 0.000 0.511 362 V N -2.274 117.337 119.914 -0.506 0.000 3.647 362 V HA 0.313 4.433 4.120 -0.001 0.000 0.279 362 V C -0.609 174.996 176.094 -0.815 0.000 1.314 362 V CA 0.264 62.075 62.300 -0.815 0.000 1.125 362 V CB -1.385 29.734 31.823 -1.173 0.000 0.907 362 V HN 0.354 nan 8.190 nan 0.000 0.434 363 F N 1.135 120.999 119.950 -0.142 0.000 2.518 363 F HA 0.871 5.398 4.527 -0.001 0.000 0.323 363 F C 0.964 176.691 175.800 -0.122 0.000 1.129 363 F CA -0.833 57.060 58.000 -0.178 0.000 0.920 363 F CB 1.259 40.150 39.000 -0.181 0.000 1.160 363 F HN 0.116 nan 8.300 nan 0.000 0.440 364 G N 2.147 110.936 108.800 -0.017 0.000 2.621 364 G HA2 0.362 4.322 3.960 -0.001 0.000 0.271 364 G HA3 0.362 4.322 3.960 -0.001 0.000 0.271 364 G C -2.007 172.710 174.900 -0.304 0.000 1.236 364 G CA -1.282 43.740 45.100 -0.130 0.000 0.958 364 G HN 0.421 nan 8.290 nan 0.000 0.512 365 P HA -0.004 nan 4.420 nan 0.000 0.220 365 P C 0.724 177.753 177.300 -0.452 0.000 1.148 365 P CA 1.006 63.801 63.100 -0.509 0.000 0.803 365 P CB 0.325 31.632 31.700 -0.656 0.000 0.782 366 D N -2.506 117.710 120.400 -0.308 0.000 2.368 366 D HA 0.087 4.727 4.640 -0.001 0.000 0.218 366 D C -0.268 176.052 176.300 0.033 0.000 1.112 366 D CA -0.163 53.779 54.000 -0.097 0.000 0.834 366 D CB -0.101 40.679 40.800 -0.035 0.000 0.953 366 D HN 0.136 nan 8.370 nan 0.000 0.505 367 Y N -0.068 120.188 120.300 -0.074 0.000 3.790 367 Y HA -0.282 4.268 4.550 -0.001 0.000 0.226 367 Y C 0.255 176.095 175.900 -0.100 0.000 1.257 367 Y CA 0.464 58.505 58.100 -0.097 0.000 1.765 367 Y CB -2.221 36.171 38.460 -0.113 0.000 1.552 367 Y HN -0.076 nan 8.280 nan 0.000 0.650 368 K N 0.228 120.617 120.400 -0.019 0.000 2.203 368 K HA 0.733 5.052 4.320 -0.001 0.000 0.251 368 K C 0.203 176.755 176.600 -0.079 0.000 0.944 368 K CA -0.830 55.436 56.287 -0.035 0.000 0.829 368 K CB 2.275 34.762 32.500 -0.021 0.000 1.125 368 K HN 0.040 nan 8.250 nan 0.000 0.430 369 V N -0.504 119.314 119.914 -0.160 0.000 2.811 369 V HA 0.241 4.361 4.120 -0.001 0.000 0.302 369 V C -0.189 175.742 176.094 -0.272 0.000 1.063 369 V CA -0.273 61.828 62.300 -0.332 0.000 1.088 369 V CB 0.312 31.606 31.823 -0.881 0.000 0.982 369 V HN 0.644 nan 8.190 nan 0.000 0.485 370 K N 3.323 123.554 120.400 -0.282 0.000 2.211 370 K HA 0.494 4.813 4.320 -0.001 0.000 0.237 370 K C -2.004 174.591 176.600 -0.008 0.000 1.002 370 K CA -1.845 54.280 56.287 -0.270 0.000 0.885 370 K CB 1.394 33.759 32.500 -0.226 0.000 1.136 370 K HN 0.306 nan 8.250 nan 0.000 0.448 371 P HA -0.221 nan 4.420 nan 0.000 0.217 371 P C 0.745 178.138 177.300 0.156 0.000 1.148 371 P CA 1.358 64.687 63.100 0.381 0.000 0.828 371 P CB 0.109 32.053 31.700 0.406 0.000 0.783 372 A N -1.308 121.510 122.820 -0.002 0.000 1.940 372 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 372 A C 2.255 179.605 177.584 -0.391 0.000 1.176 372 A CA 1.592 53.508 52.037 -0.201 0.000 0.631 372 A CB -1.873 16.959 19.000 -0.281 0.000 0.814 372 A HN 0.222 nan 8.150 nan 0.000 0.446 373 Y N -1.116 118.873 120.300 -0.519 0.000 2.114 373 Y HA -0.248 4.302 4.550 -0.001 0.000 0.284 373 Y C 2.126 177.755 175.900 -0.450 0.000 1.143 373 Y CA 1.897 59.605 58.100 -0.655 0.000 1.135 373 Y CB -0.626 37.354 38.460 -0.801 0.000 0.980 373 Y HN 0.419 nan 8.280 nan 0.000 0.499 374 W N 0.291 121.560 121.300 -0.052 0.000 2.350 374 W HA -0.181 4.478 4.660 -0.001 0.000 0.289 374 W C 2.640 179.027 176.519 -0.220 0.000 1.215 374 W CA 1.256 58.563 57.345 -0.063 0.000 1.236 374 W CB -0.468 29.119 29.460 0.212 0.000 1.130 374 W HN 0.210 nan 8.180 nan 0.000 0.541 375 A N 0.607 123.277 122.820 -0.250 0.000 1.969 375 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 375 A C 1.813 179.234 177.584 -0.272 0.000 1.169 375 A CA 1.637 53.338 52.037 -0.560 0.000 0.635 375 A CB -0.992 17.439 19.000 -0.949 0.000 0.810 375 A HN 0.493 nan 8.150 nan 0.000 0.445 376 I N -4.781 115.592 120.570 -0.329 0.000 4.018 376 I HA 0.333 4.502 4.170 -0.001 0.000 0.337 376 I C 1.581 177.539 176.117 -0.264 0.000 1.327 376 I CA 0.146 61.298 61.300 -0.246 0.000 1.100 376 I CB 0.283 37.977 38.000 -0.509 0.000 1.025 376 I HN 0.049 nan 8.210 nan 0.000 0.396 377 I N 2.279 122.593 120.570 -0.426 0.000 2.852 377 I HA 0.003 4.172 4.170 -0.001 0.000 0.264 377 I C 1.215 177.182 176.117 -0.250 0.000 1.179 377 I CA 0.590 61.620 61.300 -0.451 0.000 1.480 377 I CB -0.219 37.321 38.000 -0.766 0.000 1.111 377 I HN 0.466 nan 8.210 nan 0.000 0.441 378 D N -0.975 119.363 120.400 -0.103 0.000 2.447 378 D HA -0.017 4.623 4.640 -0.001 0.000 0.265 378 D C -0.069 176.164 176.300 -0.111 0.000 1.250 378 D CA 0.252 54.272 54.000 0.033 0.000 1.046 378 D CB 0.091 40.980 40.800 0.149 0.000 1.095 378 D HN 0.243 nan 8.370 nan 0.000 0.555 379 H N -1.977 117.105 119.070 0.020 0.000 2.467 379 H HA 0.341 4.896 4.556 -0.001 0.000 0.275 379 H C -0.302 175.055 175.328 0.049 0.000 1.131 379 H CA -0.466 55.594 56.048 0.019 0.000 0.989 379 H CB 0.238 30.000 29.762 -0.000 0.000 1.696 379 H HN 0.105 nan 8.280 nan 0.000 0.574 380 K N 0.000 120.487 120.400 0.145 0.000 2.780 380 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 380 K CA 0.000 56.367 56.287 0.133 0.000 0.838 380 K CB 0.000 32.585 32.500 0.142 0.000 1.064 380 K HN 0.000 nan 8.250 nan 0.000 0.543