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 3g0o_1_A DATA FIRST_RESID 6 DATA SEQUENCE DFHVGIVGLG SXGXGAARSC LRAGLSTWGA DLNPQACANL LAEGACGAAA DATA SEQUENCE SAREFAGVVD ALVILVVNAA QVRQVLFXXD GVAHLXKPGS AVXVSSTISS DATA SEQUENCE ADAQEIAAAL TALNLNXLDA PVSGGAVKAA QGEXTVXASG SEAAFTRLKP DATA SEQUENCE VLDAVASNVY RISDTPGAGS TVKIIHQLLA GVHIAAAAEA XALAARAGIP DATA SEQUENCE LDVXYDVVTH AAGNSWXFEN RXQHVVDGDY TPRSAVDIFV KDLGLVADTA DATA SEQUENCE KALRFPLPLA STALNXFTSA SNAGYGKEDD SAVIKIF 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 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.427 176.300 0.212 0.000 2.045 6 D CA 0.000 54.083 54.000 0.138 0.000 0.868 6 D CB 0.000 40.831 40.800 0.052 0.000 0.688 7 F N 2.198 122.163 119.950 0.025 0.000 2.411 7 F HA 0.402 4.929 4.527 0.001 0.000 0.355 7 F C -0.034 175.766 175.800 -0.000 0.000 1.117 7 F CA -0.092 57.941 58.000 0.056 0.000 1.139 7 F CB 0.537 39.550 39.000 0.022 0.000 1.120 7 F HN 0.158 nan 8.300 nan 0.000 0.493 8 H N 5.525 124.410 119.070 -0.309 0.000 2.488 8 H HA 0.490 5.047 4.556 0.001 0.000 0.322 8 H C -0.893 174.320 175.328 -0.191 0.000 1.078 8 H CA -0.580 55.425 56.048 -0.071 0.000 1.260 8 H CB 2.093 31.873 29.762 0.029 0.000 1.425 8 H HN 0.478 nan 8.280 nan 0.000 0.471 9 V N 3.118 123.130 119.914 0.163 0.000 2.588 9 V HA 0.648 4.769 4.120 0.001 0.000 0.304 9 V C -0.363 175.821 176.094 0.149 0.000 1.042 9 V CA -0.469 61.928 62.300 0.162 0.000 0.877 9 V CB 1.848 33.847 31.823 0.294 0.000 0.996 9 V HN 0.886 nan 8.190 nan 0.000 0.425 10 G N 6.773 115.634 108.800 0.102 0.000 2.416 10 G HA2 0.626 4.586 3.960 0.001 0.000 0.324 10 G HA3 0.626 4.586 3.960 0.001 0.000 0.324 10 G C -0.966 174.014 174.900 0.133 0.000 1.194 10 G CA -0.545 44.597 45.100 0.071 0.000 0.922 10 G HN 0.565 nan 8.290 nan 0.000 0.467 11 I N 3.010 123.643 120.570 0.105 0.000 2.330 11 I HA 0.231 4.401 4.170 0.001 0.000 0.289 11 I C -0.156 176.047 176.117 0.142 0.000 1.001 11 I CA -0.890 60.472 61.300 0.102 0.000 1.193 11 I CB 1.247 39.285 38.000 0.062 0.000 1.345 11 I HN 0.027 nan 8.210 nan 0.000 0.461 12 V N 4.959 124.946 119.914 0.122 0.000 2.347 12 V HA 0.787 4.907 4.120 0.001 0.000 0.280 12 V C 0.538 176.670 176.094 0.062 0.000 1.021 12 V CA -0.463 61.902 62.300 0.107 0.000 0.847 12 V CB 0.973 32.839 31.823 0.072 0.000 0.990 12 V HN 1.052 nan 8.190 nan 0.000 0.444 13 G N 4.891 113.727 108.800 0.061 0.000 3.017 13 G HA2 -0.117 3.844 3.960 0.001 0.000 0.680 13 G HA3 -0.117 3.844 3.960 0.001 0.000 0.680 13 G C -0.691 174.235 174.900 0.043 0.000 1.179 13 G CA -0.839 44.286 45.100 0.041 0.000 1.142 13 G HN 0.688 nan 8.290 nan 0.000 0.489 14 L N 2.577 123.827 121.223 0.044 0.000 3.064 14 L HA 0.430 4.770 4.340 0.001 0.000 0.233 14 L C 1.655 178.545 176.870 0.033 0.000 1.333 14 L CA 0.044 54.908 54.840 0.039 0.000 1.140 14 L CB 0.001 42.085 42.059 0.043 0.000 1.519 14 L HN 0.655 nan 8.230 nan 0.000 0.493 15 G N -0.384 108.435 108.800 0.031 0.000 2.489 15 G HA2 0.225 4.186 3.960 0.001 0.000 0.271 15 G HA3 0.225 4.186 3.960 0.001 0.000 0.271 15 G C 0.313 175.234 174.900 0.035 0.000 1.427 15 G CA -0.344 44.775 45.100 0.032 0.000 1.057 15 G HN 0.267 nan 8.290 nan 0.000 0.532 21 A N 1.446 124.275 122.820 0.015 0.000 1.877 21 A HA 0.371 4.692 4.320 0.001 0.000 0.216 21 A C 2.755 180.345 177.584 0.011 0.000 1.186 21 A CA 2.794 54.838 52.037 0.013 0.000 0.620 21 A CB -0.936 18.074 19.000 0.018 0.000 0.822 21 A HN 1.374 nan 8.150 nan 0.000 0.443 22 A N -0.278 122.549 122.820 0.011 0.000 1.883 22 A HA -0.197 4.123 4.320 0.001 0.000 0.217 22 A C 2.261 179.838 177.584 -0.012 0.000 1.186 22 A CA 1.680 53.718 52.037 0.001 0.000 0.624 22 A CB -0.498 18.502 19.000 0.001 0.000 0.822 22 A HN 0.553 nan 8.150 nan 0.000 0.444 23 R N -0.393 120.102 120.500 -0.008 0.000 2.092 23 R HA -0.059 4.281 4.340 0.001 0.000 0.231 23 R C 2.483 178.775 176.300 -0.014 0.000 1.119 23 R CA 1.461 57.553 56.100 -0.013 0.000 0.970 23 R CB -0.320 29.977 30.300 -0.006 0.000 0.864 23 R HN 0.516 nan 8.270 nan 0.000 0.440 24 S N 0.135 115.830 115.700 -0.008 0.000 2.383 24 S HA -0.140 4.330 4.470 0.001 0.000 0.227 24 S C 2.080 176.670 174.600 -0.017 0.000 1.026 24 S CA 0.980 59.173 58.200 -0.011 0.000 0.981 24 S CB -0.165 63.031 63.200 -0.006 0.000 0.818 24 S HN 0.428 nan 8.310 nan 0.000 0.472 25 C N 1.310 120.603 119.300 -0.012 0.000 2.440 25 C HA 0.086 4.547 4.460 0.001 0.000 0.278 25 C C 2.480 177.454 174.990 -0.026 0.000 1.295 25 C CA 0.321 59.333 59.018 -0.010 0.000 1.738 25 C CB -1.431 26.316 27.740 0.013 0.000 1.987 25 C HN 0.531 nan 8.230 nan 0.000 0.492 26 L N 0.180 121.381 121.223 -0.037 0.000 2.046 26 L HA -0.145 4.195 4.340 0.001 0.000 0.208 26 L C 2.906 179.749 176.870 -0.044 0.000 1.077 26 L CA 1.459 56.267 54.840 -0.053 0.000 0.747 26 L CB -0.591 41.432 42.059 -0.059 0.000 0.896 26 L HN 0.359 nan 8.230 nan 0.000 0.432 27 R N -0.235 120.244 120.500 -0.034 0.000 2.115 27 R HA -0.087 4.254 4.340 0.001 0.000 0.230 27 R C 2.183 178.464 176.300 -0.032 0.000 1.111 27 R CA 1.180 57.262 56.100 -0.030 0.000 0.976 27 R CB -0.329 29.958 30.300 -0.023 0.000 0.870 27 R HN 0.306 nan 8.270 nan 0.000 0.445 28 A N 0.128 122.927 122.820 -0.035 0.000 2.209 28 A HA 0.109 4.430 4.320 0.001 0.000 0.212 28 A C 1.457 179.016 177.584 -0.041 0.000 1.158 28 A CA 1.030 53.043 52.037 -0.040 0.000 0.742 28 A CB -0.200 18.771 19.000 -0.049 0.000 0.790 28 A HN 0.478 nan 8.150 nan 0.000 0.472 29 G N -1.538 107.237 108.800 -0.041 0.000 2.141 29 G HA2 -0.203 3.757 3.960 0.001 0.000 0.242 29 G HA3 -0.203 3.757 3.960 0.001 0.000 0.242 29 G C 0.046 174.921 174.900 -0.040 0.000 0.982 29 G CA 0.242 45.317 45.100 -0.042 0.000 0.662 29 G HN 0.455 nan 8.290 nan 0.000 0.527 30 L N 1.054 122.260 121.223 -0.029 0.000 2.395 30 L HA 0.489 4.830 4.340 0.001 0.000 0.269 30 L C 0.911 177.738 176.870 -0.072 0.000 1.133 30 L CA -0.565 54.281 54.840 0.011 0.000 0.812 30 L CB 1.354 43.470 42.059 0.095 0.000 1.125 30 L HN 0.091 nan 8.230 nan 0.000 0.452 31 S N 1.059 116.658 115.700 -0.168 0.000 2.443 31 S HA 0.137 4.607 4.470 0.001 0.000 0.284 31 S C 0.027 174.496 174.600 -0.218 0.000 1.206 31 S CA -0.353 57.635 58.200 -0.353 0.000 1.074 31 S CB 0.019 62.677 63.200 -0.903 0.000 0.963 31 S HN 0.535 nan 8.310 nan 0.000 0.501 32 T N 4.358 118.753 114.554 -0.265 0.000 2.794 32 T HA 0.442 4.793 4.350 0.001 0.000 0.280 32 T C -0.614 173.844 174.700 -0.404 0.000 0.987 32 T CA -0.446 61.538 62.100 -0.194 0.000 0.993 32 T CB 0.423 69.215 68.868 -0.127 0.000 0.939 32 T HN 0.547 nan 8.240 nan 0.000 0.449 33 W N 1.033 122.123 121.300 -0.350 0.000 2.761 33 W HA 0.689 5.349 4.660 0.000 0.000 0.340 33 W C 0.352 176.564 176.519 -0.512 0.000 1.072 33 W CA -0.773 56.189 57.345 -0.638 0.000 1.215 33 W CB 1.784 30.354 29.460 -1.484 0.000 1.420 33 W HN 0.904 nan 8.180 nan 0.000 0.519 34 G N 0.212 108.955 108.800 -0.096 0.000 2.563 34 G HA2 0.812 4.773 3.960 0.001 0.000 0.302 34 G HA3 0.812 4.773 3.960 0.001 0.000 0.302 34 G C -1.917 173.163 174.900 0.299 0.000 1.301 34 G CA -1.003 44.149 45.100 0.087 0.000 0.965 34 G HN 0.730 nan 8.290 nan 0.000 0.480 35 A N 0.935 123.929 122.820 0.291 0.000 2.402 35 A HA 0.789 5.110 4.320 0.001 0.000 0.291 35 A C -1.346 176.319 177.584 0.135 0.000 1.051 35 A CA -0.492 51.700 52.037 0.258 0.000 0.716 35 A CB 1.982 21.148 19.000 0.275 0.000 1.223 35 A HN 0.785 nan 8.150 nan 0.000 0.425 36 D N 1.328 121.787 120.400 0.099 0.000 2.706 36 D HA 0.314 4.955 4.640 0.001 0.000 0.227 36 D C 0.393 176.722 176.300 0.050 0.000 1.233 36 D CA -0.617 53.421 54.000 0.063 0.000 0.768 36 D CB 1.119 41.953 40.800 0.058 0.000 1.490 36 D HN 0.262 nan 8.370 nan 0.000 0.458 37 L N 1.278 122.523 121.223 0.036 0.000 2.465 37 L HA 0.077 4.418 4.340 0.001 0.000 0.224 37 L C 0.751 177.638 176.870 0.029 0.000 1.145 37 L CA 0.445 55.302 54.840 0.029 0.000 0.834 37 L CB -0.492 41.579 42.059 0.021 0.000 0.944 37 L HN 0.337 nan 8.230 nan 0.000 0.451 38 N N 1.176 119.895 118.700 0.031 0.000 2.439 38 N HA 0.081 4.821 4.740 0.001 0.000 0.243 38 N C -1.326 174.202 175.510 0.030 0.000 1.088 38 N CA -1.965 51.102 53.050 0.028 0.000 0.940 38 N CB 0.872 39.375 38.487 0.027 0.000 1.180 38 N HN -0.110 nan 8.380 nan 0.000 0.505 39 P HA -0.195 nan 4.420 nan 0.000 0.221 39 P C 0.816 178.130 177.300 0.024 0.000 1.145 39 P CA 1.014 64.131 63.100 0.028 0.000 0.795 39 P CB 0.551 32.265 31.700 0.024 0.000 0.775 40 Q N 0.379 120.192 119.800 0.021 0.000 2.187 40 Q HA 0.049 4.390 4.340 0.001 0.000 0.199 40 Q C 2.257 178.268 176.000 0.017 0.000 0.957 40 Q CA 1.557 57.370 55.803 0.017 0.000 0.857 40 Q CB -1.152 27.595 28.738 0.015 0.000 0.929 40 Q HN 0.158 nan 8.270 nan 0.000 0.453 41 A N -0.687 122.146 122.820 0.022 0.000 1.898 41 A HA -0.174 4.146 4.320 0.001 0.000 0.216 41 A C 2.379 179.977 177.584 0.023 0.000 1.181 41 A CA 1.451 53.502 52.037 0.023 0.000 0.620 41 A CB -1.059 17.958 19.000 0.029 0.000 0.819 41 A HN 0.554 nan 8.150 nan 0.000 0.442 42 C N -0.960 118.358 119.300 0.031 0.000 2.432 42 C HA 0.040 4.500 4.460 0.001 0.000 0.277 42 C C 3.331 178.332 174.990 0.018 0.000 1.249 42 C CA 0.816 59.855 59.018 0.036 0.000 1.725 42 C CB -1.382 26.389 27.740 0.053 0.000 2.028 42 C HN 0.704 nan 8.230 nan 0.000 0.477 43 A N 1.393 124.222 122.820 0.016 0.000 1.908 43 A HA -0.208 4.113 4.320 0.001 0.000 0.218 43 A C 1.908 179.490 177.584 -0.003 0.000 1.181 43 A CA 2.077 54.118 52.037 0.006 0.000 0.627 43 A CB -0.636 18.369 19.000 0.008 0.000 0.818 43 A HN 0.677 nan 8.150 nan 0.000 0.445 44 N N -0.371 118.329 118.700 -0.000 0.000 2.166 44 N HA -0.121 4.619 4.740 0.001 0.000 0.186 44 N C 1.551 177.051 175.510 -0.016 0.000 1.019 44 N CA 1.323 54.370 53.050 -0.006 0.000 0.856 44 N CB -0.503 37.984 38.487 -0.001 0.000 0.993 44 N HN 0.379 nan 8.380 nan 0.000 0.426 45 L N 1.290 122.503 121.223 -0.016 0.000 2.056 45 L HA -0.004 4.336 4.340 0.001 0.000 0.207 45 L C 2.136 178.973 176.870 -0.056 0.000 1.078 45 L CA 1.089 55.909 54.840 -0.034 0.000 0.749 45 L CB -0.563 41.479 42.059 -0.028 0.000 0.901 45 L HN 0.114 nan 8.230 nan 0.000 0.433 46 L N -1.104 120.091 121.223 -0.048 0.000 2.017 46 L HA -0.196 4.144 4.340 0.001 0.000 0.208 46 L C 2.570 179.406 176.870 -0.057 0.000 1.073 46 L CA 1.244 56.047 54.840 -0.062 0.000 0.745 46 L CB -0.929 41.107 42.059 -0.039 0.000 0.894 46 L HN 0.314 nan 8.230 nan 0.000 0.432 47 A N -0.396 122.402 122.820 -0.038 0.000 2.070 47 A HA -0.188 4.133 4.320 0.001 0.000 0.220 47 A C 1.912 179.472 177.584 -0.039 0.000 1.159 47 A CA 1.444 53.461 52.037 -0.033 0.000 0.656 47 A CB -0.365 18.622 19.000 -0.022 0.000 0.800 47 A HN 0.497 nan 8.150 nan 0.000 0.453 48 E N -1.946 118.226 120.200 -0.046 0.000 2.463 48 E HA 0.323 4.673 4.350 0.001 0.000 0.193 48 E C 0.958 177.517 176.600 -0.068 0.000 1.041 48 E CA 0.269 56.639 56.400 -0.049 0.000 0.879 48 E CB 0.169 29.844 29.700 -0.041 0.000 0.997 48 E HN 0.681 nan 8.360 nan 0.000 0.478 49 G N 0.979 109.728 108.800 -0.086 0.000 2.184 49 G HA2 -0.239 3.722 3.960 0.001 0.000 0.206 49 G HA3 -0.239 3.722 3.960 0.001 0.000 0.206 49 G C 0.432 175.229 174.900 -0.171 0.000 0.995 49 G CA -0.231 44.801 45.100 -0.113 0.000 0.651 49 G HN 0.417 nan 8.290 nan 0.000 0.511 50 A N -0.386 122.323 122.820 -0.185 0.000 2.483 50 A HA 0.471 4.791 4.320 0.001 0.000 0.238 50 A C 1.798 179.132 177.584 -0.417 0.000 1.070 50 A CA 0.832 52.697 52.037 -0.287 0.000 0.770 50 A CB 0.120 18.985 19.000 -0.225 0.000 1.008 50 A HN 1.043 nan 8.150 nan 0.000 0.497 51 C N 1.373 120.230 119.300 -0.738 0.000 2.435 51 C HA 0.379 4.839 4.460 0.001 0.000 0.279 51 C C 1.485 175.892 174.990 -0.972 0.000 1.321 51 C CA 0.823 59.237 59.018 -1.007 0.000 1.752 51 C CB -1.342 25.363 27.740 -1.724 0.000 1.959 51 C HN 1.124 nan 8.230 nan 0.000 0.500 52 G N -1.527 106.789 108.800 -0.806 0.000 2.632 52 G HA2 0.627 4.587 3.960 0.001 0.000 0.292 52 G HA3 0.627 4.587 3.960 0.001 0.000 0.292 52 G C -2.073 172.865 174.900 0.063 0.000 1.465 52 G CA 0.370 45.386 45.100 -0.140 0.000 0.824 52 G HN 0.601 nan 8.290 nan 0.000 0.509 53 A N -0.657 122.268 122.820 0.175 0.000 2.480 53 A HA 1.029 5.350 4.320 0.001 0.000 0.289 53 A C -0.222 177.485 177.584 0.205 0.000 1.044 53 A CA 0.480 52.628 52.037 0.185 0.000 0.761 53 A CB 1.087 20.132 19.000 0.074 0.000 1.289 53 A HN 2.477 nan 8.150 nan 0.000 0.401 54 A N 0.768 123.739 122.820 0.252 0.000 2.524 54 A HA 0.907 5.227 4.320 0.001 0.000 0.289 54 A C 1.006 178.662 177.584 0.121 0.000 1.248 54 A CA 0.179 52.315 52.037 0.164 0.000 0.712 54 A CB 0.206 19.300 19.000 0.158 0.000 1.312 54 A HN 2.207 nan 8.150 nan 0.000 0.441 55 A N -0.289 122.573 122.820 0.069 0.000 1.969 55 A HA 0.340 4.660 4.320 0.001 0.000 0.218 55 A C 1.336 178.935 177.584 0.024 0.000 1.169 55 A CA 2.180 54.242 52.037 0.042 0.000 0.635 55 A CB -0.681 18.333 19.000 0.024 0.000 0.810 55 A HN 2.090 nan 8.150 nan 0.000 0.445 56 S N -3.605 112.092 115.700 -0.006 0.000 2.704 56 S HA 0.681 5.152 4.470 0.001 0.000 0.296 56 S C 0.277 174.756 174.600 -0.201 0.000 1.138 56 S CA -0.044 58.111 58.200 -0.075 0.000 0.875 56 S CB 1.596 64.739 63.200 -0.097 0.000 1.151 56 S HN 0.935 nan 8.310 nan 0.000 0.500 57 A N 0.279 122.877 122.820 -0.371 0.000 2.275 57 A HA 0.288 4.609 4.320 0.001 0.000 0.212 57 A C 1.854 178.862 177.584 -0.961 0.000 1.201 57 A CA -0.278 51.169 52.037 -0.984 0.000 0.843 57 A CB -0.498 18.106 19.000 -0.659 0.000 0.873 57 A HN 0.818 nan 8.150 nan 0.000 0.492 58 R N 0.592 120.785 120.500 -0.512 0.000 2.127 58 R HA -0.130 4.210 4.340 0.001 0.000 0.238 58 R C 1.267 177.332 176.300 -0.392 0.000 1.134 58 R CA 1.425 57.296 56.100 -0.382 0.000 0.975 58 R CB -0.157 30.013 30.300 -0.217 0.000 0.865 58 R HN 0.553 nan 8.270 nan 0.000 0.447 59 E N 0.502 120.465 120.200 -0.395 0.000 2.204 59 E HA -0.163 4.187 4.350 0.001 0.000 0.194 59 E C 1.445 177.873 176.600 -0.287 0.000 0.989 59 E CA 1.158 57.418 56.400 -0.233 0.000 0.824 59 E CB -0.034 29.645 29.700 -0.036 0.000 0.756 59 E HN 0.555 nan 8.360 nan 0.000 0.477 60 F N -1.931 117.800 119.950 -0.364 0.000 2.767 60 F HA 0.637 5.164 4.527 0.001 0.000 0.323 60 F C 1.897 177.363 175.800 -0.556 0.000 1.091 60 F CA -0.202 57.378 58.000 -0.700 0.000 1.192 60 F CB -0.353 37.867 39.000 -1.298 0.000 1.056 60 F HN -0.090 nan 8.300 nan 0.000 0.571 61 A N 1.586 124.102 122.820 -0.508 0.000 1.986 61 A HA -0.006 4.315 4.320 0.001 0.000 0.220 61 A C 2.355 179.787 177.584 -0.253 0.000 1.171 61 A CA 1.828 53.674 52.037 -0.318 0.000 0.640 61 A CB -1.607 17.170 19.000 -0.372 0.000 0.811 61 A HN 0.543 nan 8.150 nan 0.000 0.451 62 G N -1.020 107.615 108.800 -0.274 0.000 2.679 62 G HA2 0.115 4.075 3.960 0.001 0.000 0.212 62 G HA3 0.115 4.075 3.960 0.001 0.000 0.212 62 G C 1.158 175.925 174.900 -0.221 0.000 1.137 62 G CA 1.389 46.352 45.100 -0.228 0.000 0.787 62 G HN 1.146 nan 8.290 nan 0.000 0.534 63 V N -1.825 117.925 119.914 -0.274 0.000 3.548 63 V HA 0.310 4.431 4.120 0.001 0.000 0.279 63 V C 0.962 176.876 176.094 -0.299 0.000 1.446 63 V CA 0.204 62.321 62.300 -0.304 0.000 1.023 63 V CB -0.107 31.481 31.823 -0.393 0.000 0.820 63 V HN 0.140 nan 8.190 nan 0.000 0.438 64 V N -0.711 119.055 119.914 -0.247 0.000 2.811 64 V HA 0.380 4.500 4.120 0.001 0.000 0.302 64 V C 0.984 176.959 176.094 -0.199 0.000 1.063 64 V CA 0.568 62.764 62.300 -0.172 0.000 1.088 64 V CB 0.840 32.612 31.823 -0.084 0.000 0.982 64 V HN 0.346 nan 8.190 nan 0.000 0.485 65 D N 2.577 122.782 120.400 -0.326 0.000 2.305 65 D HA 0.312 4.952 4.640 0.001 0.000 0.206 65 D C 0.671 176.821 176.300 -0.250 0.000 0.974 65 D CA 1.590 55.342 54.000 -0.413 0.000 0.871 65 D CB 0.953 41.180 40.800 -0.956 0.000 0.947 65 D HN 0.929 nan 8.370 nan 0.000 0.516 66 A N 0.504 123.214 122.820 -0.185 0.000 2.547 66 A HA 0.555 4.875 4.320 0.001 0.000 0.297 66 A C -1.847 175.760 177.584 0.038 0.000 1.056 66 A CA -0.584 51.462 52.037 0.014 0.000 0.688 66 A CB 1.721 20.852 19.000 0.219 0.000 1.282 66 A HN 0.062 nan 8.150 nan 0.000 0.400 67 L N 2.340 123.586 121.223 0.039 0.000 2.356 67 L HA 0.727 5.068 4.340 0.001 0.000 0.277 67 L C -1.182 175.715 176.870 0.045 0.000 0.996 67 L CA -0.375 54.498 54.840 0.054 0.000 0.822 67 L CB 1.988 44.059 42.059 0.020 0.000 1.256 67 L HN 0.495 nan 8.230 nan 0.000 0.413 68 V N 6.426 126.378 119.914 0.062 0.000 2.398 68 V HA 0.472 4.592 4.120 0.001 0.000 0.286 68 V C 0.034 176.149 176.094 0.034 0.000 1.026 68 V CA -0.395 61.929 62.300 0.041 0.000 0.868 68 V CB 1.531 33.383 31.823 0.048 0.000 0.982 68 V HN 0.562 nan 8.190 nan 0.000 0.443 69 I N 6.228 126.804 120.570 0.011 0.000 2.359 69 I HA 0.388 4.558 4.170 0.001 0.000 0.284 69 I C -0.652 175.466 176.117 0.002 0.000 1.018 69 I CA -0.236 61.067 61.300 0.005 0.000 1.173 69 I CB 1.235 39.224 38.000 -0.018 0.000 1.326 69 I HN 0.403 nan 8.210 nan 0.000 0.462 70 L N 8.295 129.524 121.223 0.010 0.000 2.371 70 L HA 0.452 4.792 4.340 0.001 0.000 0.262 70 L C -0.109 176.764 176.870 0.004 0.000 1.054 70 L CA -0.509 54.334 54.840 0.005 0.000 0.924 70 L CB 0.698 42.764 42.059 0.012 0.000 1.295 70 L HN 0.427 nan 8.230 nan 0.000 0.441 71 V N -0.665 119.246 119.914 -0.005 0.000 3.155 71 V HA 0.495 4.615 4.120 0.001 0.000 0.313 71 V C 0.952 177.036 176.094 -0.016 0.000 1.162 71 V CA -0.767 61.529 62.300 -0.006 0.000 1.048 71 V CB 1.961 33.781 31.823 -0.005 0.000 1.092 71 V HN 0.131 nan 8.190 nan 0.000 0.447 72 V N 1.662 121.564 119.914 -0.018 0.000 2.307 72 V HA -0.037 4.083 4.120 0.001 0.000 0.245 72 V C 0.923 176.995 176.094 -0.038 0.000 1.045 72 V CA 2.522 64.802 62.300 -0.033 0.000 1.024 72 V CB -1.269 30.536 31.823 -0.030 0.000 0.651 72 V HN 1.168 nan 8.190 nan 0.000 0.449 73 N N -2.105 116.580 118.700 -0.024 0.000 2.902 73 N HA 0.555 5.295 4.740 0.001 0.000 0.268 73 N C 0.353 175.859 175.510 -0.006 0.000 1.450 73 N CA -0.060 52.977 53.050 -0.020 0.000 0.819 73 N CB 1.164 39.639 38.487 -0.020 0.000 1.540 73 N HN -0.045 nan 8.380 nan 0.000 0.545 74 A N -0.163 122.657 122.820 0.000 0.000 1.933 74 A HA 0.047 4.368 4.320 0.001 0.000 0.218 74 A C 2.100 179.700 177.584 0.028 0.000 1.175 74 A CA 2.229 54.276 52.037 0.017 0.000 0.628 74 A CB -1.598 17.413 19.000 0.018 0.000 0.814 74 A HN 0.871 nan 8.150 nan 0.000 0.444 75 A N -0.727 122.104 122.820 0.019 0.000 1.908 75 A HA -0.254 4.066 4.320 0.001 0.000 0.218 75 A C 2.123 179.721 177.584 0.024 0.000 1.181 75 A CA 1.806 53.857 52.037 0.024 0.000 0.627 75 A CB -0.579 18.429 19.000 0.014 0.000 0.818 75 A HN 0.657 nan 8.150 nan 0.000 0.445 76 Q N -0.702 119.105 119.800 0.011 0.000 2.172 76 Q HA -0.059 4.282 4.340 0.001 0.000 0.200 76 Q C 2.099 178.098 176.000 -0.002 0.000 0.964 76 Q CA 1.302 57.107 55.803 0.004 0.000 0.855 76 Q CB -0.208 28.529 28.738 -0.002 0.000 0.918 76 Q HN 0.521 nan 8.270 nan 0.000 0.444 77 V N 0.801 120.718 119.914 0.004 0.000 2.307 77 V HA -0.257 3.864 4.120 0.001 0.000 0.245 77 V C 2.129 178.218 176.094 -0.010 0.000 1.045 77 V CA 1.744 64.039 62.300 -0.008 0.000 1.024 77 V CB -0.461 31.369 31.823 0.010 0.000 0.651 77 V HN 0.297 nan 8.190 nan 0.000 0.449 78 R N -0.332 120.209 120.500 0.067 0.000 2.096 78 R HA -0.181 4.160 4.340 0.001 0.000 0.235 78 R C 2.381 178.737 176.300 0.094 0.000 1.127 78 R CA 1.484 57.691 56.100 0.177 0.000 0.968 78 R CB -0.292 30.136 30.300 0.215 0.000 0.861 78 R HN 0.618 nan 8.270 nan 0.000 0.440 79 Q N -0.073 119.749 119.800 0.036 0.000 2.167 79 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 79 Q C 2.131 178.106 176.000 -0.041 0.000 0.970 79 Q CA 1.098 56.909 55.803 0.012 0.000 0.855 79 Q CB 0.173 28.916 28.738 0.008 0.000 0.911 79 Q HN 0.166 nan 8.270 nan 0.000 0.438 80 V N 0.712 120.581 119.914 -0.076 0.000 2.453 80 V HA -0.202 3.918 4.120 0.001 0.000 0.247 80 V C 1.983 177.952 176.094 -0.209 0.000 1.048 80 V CA 1.391 63.622 62.300 -0.115 0.000 1.049 80 V CB -0.236 31.529 31.823 -0.097 0.000 0.672 80 V HN 0.321 nan 8.190 nan 0.000 0.457 81 L N -2.192 118.818 121.223 -0.355 0.000 2.145 81 L HA 0.192 4.532 4.340 0.001 0.000 0.201 81 L C 0.711 177.095 176.870 -0.811 0.000 1.075 81 L CA 0.916 55.312 54.840 -0.740 0.000 0.773 81 L CB -0.073 41.224 42.059 -1.269 0.000 0.936 81 L HN 0.251 nan 8.230 nan 0.000 0.451 86 G N 0.388 109.211 108.800 0.038 0.000 2.606 86 G HA2 0.429 4.390 3.960 0.001 0.000 0.252 86 G HA3 0.429 4.390 3.960 0.001 0.000 0.252 86 G C 1.178 176.089 174.900 0.018 0.000 1.206 86 G CA -0.040 45.064 45.100 0.007 0.000 0.861 86 G HN 0.182 nan 8.290 nan 0.000 0.561 87 V N -2.833 117.010 119.914 -0.118 0.000 3.556 87 V HA 0.420 4.541 4.120 0.001 0.000 0.287 87 V C 2.295 178.244 176.094 -0.243 0.000 1.422 87 V CA 1.158 63.323 62.300 -0.225 0.000 1.038 87 V CB -0.182 31.482 31.823 -0.265 0.000 0.850 87 V HN 0.851 nan 8.190 nan 0.000 0.437 88 A N 2.388 125.104 122.820 -0.174 0.000 1.892 88 A HA -0.292 4.029 4.320 0.001 0.000 0.218 88 A C 2.063 179.621 177.584 -0.043 0.000 1.188 88 A CA 2.645 54.606 52.037 -0.126 0.000 0.631 88 A CB -1.282 17.631 19.000 -0.144 0.000 0.822 88 A HN 1.062 nan 8.150 nan 0.000 0.447 89 H N -1.691 117.355 119.070 -0.040 0.000 2.561 89 H HA 0.384 4.940 4.556 0.001 0.000 0.278 89 H C 0.609 175.908 175.328 -0.049 0.000 1.014 89 H CA 0.414 56.450 56.048 -0.021 0.000 1.211 89 H CB -0.478 29.283 29.762 -0.001 0.000 1.365 89 H HN 0.410 nan 8.280 nan 0.000 0.594 93 P HA 0.012 nan 4.420 nan 0.000 0.264 93 P C 0.777 178.067 177.300 -0.016 0.000 1.183 93 P CA 1.918 65.007 63.100 -0.019 0.000 0.763 93 P CB 0.524 32.216 31.700 -0.013 0.000 0.807 94 G N 1.628 110.424 108.800 -0.007 0.000 2.225 94 G HA2 -0.259 3.702 3.960 0.001 0.000 0.254 94 G HA3 -0.259 3.702 3.960 0.001 0.000 0.254 94 G C 0.436 175.336 174.900 0.000 0.000 0.988 94 G CA 0.275 45.376 45.100 0.002 0.000 0.625 94 G HN 0.813 nan 8.290 nan 0.000 0.527 95 S N 0.165 115.853 115.700 -0.020 0.000 2.593 95 S HA 0.754 5.224 4.470 0.001 0.000 0.269 95 S C 0.327 174.921 174.600 -0.010 0.000 1.334 95 S CA 0.591 58.774 58.200 -0.029 0.000 1.015 95 S CB 2.015 65.178 63.200 -0.062 0.000 0.912 95 S HN 1.956 nan 8.310 nan 0.000 0.541 96 A N 1.234 124.055 122.820 0.002 0.000 2.355 96 A HA 0.791 5.111 4.320 0.001 0.000 0.324 96 A C -0.387 177.195 177.584 -0.003 0.000 1.117 96 A CA -0.823 51.217 52.037 0.006 0.000 0.785 96 A CB 1.245 20.262 19.000 0.028 0.000 1.254 96 A HN 0.829 nan 8.150 nan 0.000 0.453 100 S N 2.703 118.392 115.700 -0.018 0.000 2.150 100 S HA 0.630 5.100 4.470 0.001 0.000 0.171 100 S C 0.041 174.629 174.600 -0.021 0.000 1.620 100 S CA -0.070 58.118 58.200 -0.020 0.000 1.190 100 S CB 1.334 64.524 63.200 -0.016 0.000 1.102 100 S HN 0.859 nan 8.310 nan 0.000 0.464 101 S N 1.090 116.776 115.700 -0.023 0.000 3.379 101 S HA 0.704 5.174 4.470 0.001 0.000 0.273 101 S C -0.761 173.819 174.600 -0.034 0.000 1.027 101 S CA -0.378 57.806 58.200 -0.027 0.000 1.098 101 S CB 1.268 64.456 63.200 -0.020 0.000 1.317 101 S HN 0.302 nan 8.310 nan 0.000 0.715 102 T N 2.104 116.635 114.554 -0.039 0.000 3.133 102 T HA 0.498 4.848 4.350 0.001 0.000 0.368 102 T C -0.487 174.194 174.700 -0.033 0.000 1.190 102 T CA -0.385 61.689 62.100 -0.042 0.000 1.282 102 T CB -0.369 68.456 68.868 -0.072 0.000 1.042 102 T HN 0.581 nan 8.240 nan 0.000 0.536 103 I N -0.575 119.984 120.570 -0.019 0.000 3.067 103 I HA 0.869 5.039 4.170 0.001 0.000 0.312 103 I C 0.336 176.450 176.117 -0.005 0.000 1.073 103 I CA -1.212 60.082 61.300 -0.010 0.000 1.016 103 I CB 2.061 40.060 38.000 -0.001 0.000 1.227 103 I HN 0.427 nan 8.210 nan 0.000 0.456 104 S N 1.238 116.937 115.700 -0.002 0.000 2.600 104 S HA 0.106 4.577 4.470 0.001 0.000 0.265 104 S C 1.061 175.663 174.600 0.003 0.000 1.325 104 S CA 0.142 58.343 58.200 0.001 0.000 1.002 104 S CB 1.475 64.676 63.200 0.002 0.000 0.921 104 S HN 0.805 nan 8.310 nan 0.000 0.554 105 S N 1.503 117.204 115.700 0.003 0.000 2.382 105 S HA -0.090 4.380 4.470 0.001 0.000 0.228 105 S C 2.090 176.693 174.600 0.005 0.000 1.027 105 S CA 1.250 59.453 58.200 0.004 0.000 0.991 105 S CB -1.215 61.987 63.200 0.003 0.000 0.823 105 S HN 0.972 nan 8.310 nan 0.000 0.469 106 A N 1.494 124.315 122.820 0.003 0.000 1.877 106 A HA -0.132 4.189 4.320 0.001 0.000 0.216 106 A C 1.957 179.543 177.584 0.003 0.000 1.186 106 A CA 1.928 53.966 52.037 0.002 0.000 0.620 106 A CB -0.940 18.060 19.000 0.000 0.000 0.822 106 A HN 0.551 nan 8.150 nan 0.000 0.443 107 D N -0.090 120.313 120.400 0.006 0.000 2.144 107 D HA -0.049 4.591 4.640 0.001 0.000 0.199 107 D C 2.254 178.566 176.300 0.020 0.000 0.984 107 D CA 1.438 55.445 54.000 0.012 0.000 0.834 107 D CB -0.369 40.441 40.800 0.015 0.000 0.955 107 D HN 0.419 nan 8.370 nan 0.000 0.465 108 A N 0.797 123.626 122.820 0.016 0.000 1.902 108 A HA -0.230 4.090 4.320 0.001 0.000 0.217 108 A C 2.134 179.729 177.584 0.018 0.000 1.181 108 A CA 1.444 53.492 52.037 0.017 0.000 0.623 108 A CB -0.560 18.446 19.000 0.009 0.000 0.818 108 A HN 0.233 nan 8.150 nan 0.000 0.443 109 Q N -0.668 119.138 119.800 0.012 0.000 2.079 109 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 109 Q C 1.997 178.001 176.000 0.006 0.000 0.974 109 Q CA 1.541 57.350 55.803 0.009 0.000 0.840 109 Q CB -0.165 28.575 28.738 0.005 0.000 0.898 109 Q HN 0.775 nan 8.270 nan 0.000 0.430 110 E N 0.631 120.831 120.200 0.000 0.000 2.077 110 E HA -0.168 4.182 4.350 0.001 0.000 0.193 110 E C 1.931 178.524 176.600 -0.012 0.000 0.989 110 E CA 0.952 57.341 56.400 -0.018 0.000 0.800 110 E CB -0.049 29.635 29.700 -0.027 0.000 0.746 110 E HN 0.338 nan 8.360 nan 0.000 0.452 111 I N 0.958 121.551 120.570 0.037 0.000 2.252 111 I HA -0.245 3.926 4.170 0.001 0.000 0.245 111 I C 2.502 178.692 176.117 0.123 0.000 1.102 111 I CA 0.834 62.209 61.300 0.125 0.000 1.385 111 I CB -0.274 37.822 38.000 0.161 0.000 1.064 111 I HN 0.093 nan 8.210 nan 0.000 0.414 112 A N 0.811 123.670 122.820 0.064 0.000 1.902 112 A HA -0.142 4.179 4.320 0.001 0.000 0.217 112 A C 2.559 180.167 177.584 0.041 0.000 1.181 112 A CA 1.766 53.831 52.037 0.048 0.000 0.623 112 A CB -0.785 18.228 19.000 0.022 0.000 0.818 112 A HN 0.418 nan 8.150 nan 0.000 0.443 113 A N -0.057 122.775 122.820 0.020 0.000 1.902 113 A HA 0.132 4.452 4.320 0.001 0.000 0.217 113 A C 2.505 180.091 177.584 0.005 0.000 1.181 113 A CA 2.160 54.200 52.037 0.005 0.000 0.623 113 A CB -1.027 17.964 19.000 -0.015 0.000 0.818 113 A HN 1.076 nan 8.150 nan 0.000 0.443 114 A N -0.452 122.364 122.820 -0.007 0.000 1.933 114 A HA -0.012 4.308 4.320 0.001 0.000 0.218 114 A C 2.157 179.807 177.584 0.110 0.000 1.175 114 A CA 1.489 53.513 52.037 -0.023 0.000 0.628 114 A CB -0.519 18.340 19.000 -0.233 0.000 0.814 114 A HN 0.478 nan 8.150 nan 0.000 0.444 115 L N -1.111 120.208 121.223 0.160 0.000 2.131 115 L HA -0.099 4.242 4.340 0.001 0.000 0.206 115 L C 2.694 179.608 176.870 0.073 0.000 1.087 115 L CA 1.505 56.431 54.840 0.142 0.000 0.767 115 L CB -0.766 41.362 42.059 0.115 0.000 0.917 115 L HN 0.308 nan 8.230 nan 0.000 0.441 116 T N 0.146 114.730 114.554 0.051 0.000 2.788 116 T HA -0.162 4.189 4.350 0.001 0.000 0.268 116 T C 1.988 176.704 174.700 0.028 0.000 1.044 116 T CA 1.289 63.408 62.100 0.031 0.000 1.139 116 T CB -0.183 68.698 68.868 0.022 0.000 0.867 116 T HN 0.432 nan 8.240 nan 0.000 0.454 117 A N 1.057 123.894 122.820 0.028 0.000 2.070 117 A HA 0.066 4.387 4.320 0.001 0.000 0.220 117 A C 1.896 179.497 177.584 0.029 0.000 1.159 117 A CA 1.012 53.062 52.037 0.021 0.000 0.656 117 A CB -0.626 18.381 19.000 0.011 0.000 0.800 117 A HN 0.533 nan 8.150 nan 0.000 0.453 118 L N -1.085 120.165 121.223 0.045 0.000 2.685 118 L HA 0.176 4.516 4.340 0.001 0.000 0.233 118 L C 0.287 177.174 176.870 0.027 0.000 1.173 118 L CA -0.076 54.791 54.840 0.045 0.000 0.961 118 L CB -0.758 41.344 42.059 0.072 0.000 1.217 118 L HN 0.493 nan 8.230 nan 0.000 0.478 119 N N 0.765 119.478 118.700 0.022 0.000 2.735 119 N HA -0.172 4.569 4.740 0.001 0.000 0.248 119 N C -0.535 174.982 175.510 0.011 0.000 1.083 119 N CA 0.048 53.106 53.050 0.015 0.000 0.703 119 N CB -0.637 37.855 38.487 0.009 0.000 1.005 119 N HN 0.293 nan 8.380 nan 0.000 0.550 120 L N 0.144 121.377 121.223 0.016 0.000 2.330 120 L HA 0.480 4.820 4.340 0.001 0.000 0.271 120 L C 0.340 177.216 176.870 0.011 0.000 1.013 120 L CA -0.828 54.017 54.840 0.009 0.000 0.816 120 L CB 1.801 43.865 42.059 0.009 0.000 1.287 120 L HN 0.086 nan 8.230 nan 0.000 0.435 124 D N 4.409 124.745 120.400 -0.108 0.000 2.416 124 D HA 0.541 5.181 4.640 0.001 0.000 0.240 124 D C -0.062 176.208 176.300 -0.050 0.000 1.250 124 D CA 0.749 54.718 54.000 -0.052 0.000 0.967 124 D CB 0.881 41.667 40.800 -0.022 0.000 1.059 124 D HN 0.657 nan 8.370 nan 0.000 0.512 125 A N 5.325 128.116 122.820 -0.049 0.000 3.248 125 A HA 0.375 4.696 4.320 0.001 0.000 0.315 125 A C -2.459 175.112 177.584 -0.021 0.000 0.974 125 A CA -1.144 50.873 52.037 -0.033 0.000 0.939 125 A CB 0.386 19.353 19.000 -0.055 0.000 1.061 125 A HN 0.388 nan 8.150 nan 0.000 0.481 126 P HA 0.301 nan 4.420 nan 0.000 0.269 126 P C 0.159 177.434 177.300 -0.042 0.000 1.215 126 P CA 0.327 63.408 63.100 -0.031 0.000 0.780 126 P CB 1.413 33.094 31.700 -0.032 0.000 0.898 127 V N -1.669 118.210 119.914 -0.059 0.000 3.155 127 V HA 0.932 5.053 4.120 0.001 0.000 0.313 127 V C -0.250 175.763 176.094 -0.135 0.000 1.162 127 V CA -0.744 61.510 62.300 -0.076 0.000 1.048 127 V CB 1.485 33.280 31.823 -0.047 0.000 1.092 127 V HN 0.767 nan 8.190 nan 0.000 0.447 128 S N -1.080 114.525 115.700 -0.158 0.000 2.727 128 S HA 0.803 5.273 4.470 0.001 0.000 0.278 128 S C 0.414 174.905 174.600 -0.182 0.000 1.186 128 S CA 0.609 58.675 58.200 -0.225 0.000 0.836 128 S CB 1.061 63.983 63.200 -0.463 0.000 1.186 128 S HN 2.810 nan 8.310 nan 0.000 0.499 129 G N -0.228 108.415 108.800 -0.262 0.000 2.284 129 G HA2 0.353 4.314 3.960 0.001 0.000 0.201 129 G HA3 0.353 4.314 3.960 0.001 0.000 0.201 129 G C 1.382 176.147 174.900 -0.226 0.000 0.998 129 G CA 0.629 45.584 45.100 -0.242 0.000 0.651 129 G HN 2.309 nan 8.290 nan 0.000 0.489 130 G N -0.873 107.829 108.800 -0.164 0.000 2.690 130 G HA2 0.397 4.358 3.960 0.001 0.000 0.686 130 G HA3 0.397 4.358 3.960 0.001 0.000 0.686 130 G C 0.959 175.932 174.900 0.123 0.000 1.277 130 G CA 0.784 45.916 45.100 0.054 0.000 0.799 130 G HN 1.838 nan 8.290 nan 0.000 0.613 131 A N -0.001 122.925 122.820 0.176 0.000 1.902 131 A HA 0.165 4.485 4.320 0.001 0.000 0.217 131 A C 2.755 180.409 177.584 0.117 0.000 1.181 131 A CA 3.193 55.306 52.037 0.127 0.000 0.623 131 A CB -0.534 18.544 19.000 0.131 0.000 0.818 131 A HN 1.681 nan 8.150 nan 0.000 0.443 132 V N 0.113 120.119 119.914 0.154 0.000 2.255 132 V HA -0.306 3.814 4.120 0.001 0.000 0.247 132 V C 2.505 178.661 176.094 0.103 0.000 1.051 132 V CA 2.457 64.833 62.300 0.126 0.000 1.018 132 V CB -0.680 31.233 31.823 0.150 0.000 0.641 132 V HN 0.546 nan 8.190 nan 0.000 0.445 133 K N -0.216 120.254 120.400 0.117 0.000 2.057 133 K HA -0.161 4.159 4.320 0.001 0.000 0.207 133 K C 2.309 178.938 176.600 0.048 0.000 1.049 133 K CA 1.450 57.783 56.287 0.078 0.000 0.931 133 K CB -0.421 32.118 32.500 0.066 0.000 0.714 133 K HN 0.482 nan 8.250 nan 0.000 0.440 134 A N 1.339 124.187 122.820 0.047 0.000 1.908 134 A HA -0.164 4.157 4.320 0.001 0.000 0.218 134 A C 2.301 179.903 177.584 0.029 0.000 1.181 134 A CA 1.980 54.035 52.037 0.031 0.000 0.627 134 A CB -0.665 18.354 19.000 0.032 0.000 0.818 134 A HN 0.370 nan 8.150 nan 0.000 0.445 135 A N -0.927 121.916 122.820 0.038 0.000 2.067 135 A HA -0.130 4.191 4.320 0.001 0.000 0.219 135 A C 1.901 179.499 177.584 0.023 0.000 1.158 135 A CA 1.427 53.482 52.037 0.030 0.000 0.661 135 A CB -0.375 18.647 19.000 0.037 0.000 0.801 135 A HN 0.692 nan 8.150 nan 0.000 0.452 136 Q N -1.452 118.364 119.800 0.027 0.000 2.319 136 Q HA 0.306 4.646 4.340 0.001 0.000 0.202 136 Q C 0.872 176.879 176.000 0.012 0.000 0.896 136 Q CA 0.210 56.025 55.803 0.021 0.000 0.942 136 Q CB 0.307 29.063 28.738 0.029 0.000 1.083 136 Q HN 0.776 nan 8.270 nan 0.000 0.510 137 G N 1.578 110.384 108.800 0.009 0.000 2.221 137 G HA2 -0.285 3.675 3.960 0.001 0.000 0.265 137 G HA3 -0.285 3.675 3.960 0.001 0.000 0.265 137 G C -0.236 174.663 174.900 -0.002 0.000 1.041 137 G CA 0.429 45.529 45.100 0.000 0.000 0.807 137 G HN 0.370 nan 8.290 nan 0.000 0.502 144 S N 0.047 115.829 115.700 0.138 0.000 2.540 144 S HA 0.995 5.465 4.470 0.001 0.000 0.275 144 S C -0.165 174.462 174.600 0.044 0.000 1.123 144 S CA 0.103 58.415 58.200 0.186 0.000 0.907 144 S CB 1.428 64.696 63.200 0.113 0.000 1.081 144 S HN 2.809 nan 8.310 nan 0.000 0.476 145 G N 1.048 109.934 108.800 0.143 0.000 2.337 145 G HA2 0.460 4.421 3.960 0.001 0.000 0.298 145 G HA3 0.460 4.421 3.960 0.001 0.000 0.298 145 G C -0.534 174.457 174.900 0.152 0.000 1.335 145 G CA -0.217 44.890 45.100 0.011 0.000 0.875 145 G HN 1.744 nan 8.290 nan 0.000 0.579 146 S N -0.596 115.151 115.700 0.078 0.000 2.580 146 S HA 0.313 4.783 4.470 0.001 0.000 0.266 146 S C 1.221 175.960 174.600 0.231 0.000 1.354 146 S CA 0.986 59.264 58.200 0.130 0.000 1.008 146 S CB 1.680 64.919 63.200 0.066 0.000 0.898 146 S HN 0.990 nan 8.310 nan 0.000 0.555 147 E N 1.436 121.752 120.200 0.193 0.000 2.150 147 E HA -0.045 4.306 4.350 0.001 0.000 0.193 147 E C 2.020 178.717 176.600 0.162 0.000 0.985 147 E CA 1.611 58.128 56.400 0.196 0.000 0.814 147 E CB -0.883 28.878 29.700 0.102 0.000 0.752 147 E HN 0.786 nan 8.360 nan 0.000 0.466 148 A N 0.655 123.538 122.820 0.104 0.000 1.902 148 A HA -0.023 4.297 4.320 0.001 0.000 0.217 148 A C 2.418 180.041 177.584 0.064 0.000 1.181 148 A CA 1.981 54.062 52.037 0.074 0.000 0.623 148 A CB -0.920 18.109 19.000 0.050 0.000 0.818 148 A HN 0.378 nan 8.150 nan 0.000 0.443 149 A N -1.194 121.645 122.820 0.031 0.000 1.873 149 A HA 0.071 4.392 4.320 0.001 0.000 0.215 149 A C 1.937 179.485 177.584 -0.060 0.000 1.186 149 A CA 1.402 53.407 52.037 -0.053 0.000 0.616 149 A CB -0.730 18.172 19.000 -0.162 0.000 0.823 149 A HN 0.419 nan 8.150 nan 0.000 0.442 150 F N 0.884 120.846 119.950 0.019 0.000 2.134 150 F HA -0.148 4.379 4.527 0.001 0.000 0.299 150 F C 2.791 178.595 175.800 0.007 0.000 1.097 150 F CA 1.969 59.975 58.000 0.009 0.000 1.264 150 F CB -0.901 38.100 39.000 0.001 0.000 1.001 150 F HN 0.153 nan 8.300 nan 0.000 0.479 151 T N -0.819 113.856 114.554 0.202 0.000 2.737 151 T HA -0.207 4.144 4.350 0.001 0.000 0.265 151 T C 2.044 176.801 174.700 0.094 0.000 1.038 151 T CA 1.451 63.623 62.100 0.119 0.000 1.144 151 T CB -0.247 68.677 68.868 0.093 0.000 0.866 151 T HN -0.029 nan 8.240 nan 0.000 0.434 152 R N 0.875 121.435 120.500 0.101 0.000 2.096 152 R HA 0.107 4.448 4.340 0.001 0.000 0.235 152 R C 1.948 178.345 176.300 0.162 0.000 1.127 152 R CA 1.208 57.390 56.100 0.137 0.000 0.968 152 R CB -0.666 29.704 30.300 0.117 0.000 0.861 152 R HN 0.372 nan 8.270 nan 0.000 0.440 153 L N 0.304 121.584 121.223 0.096 0.000 2.591 153 L HA 0.097 4.437 4.340 0.001 0.000 0.228 153 L C 2.102 178.967 176.870 -0.008 0.000 1.133 153 L CA 0.271 55.152 54.840 0.069 0.000 0.880 153 L CB -0.233 41.840 42.059 0.023 0.000 1.033 153 L HN 0.187 nan 8.230 nan 0.000 0.450 154 K N 1.206 121.600 120.400 -0.010 0.000 2.059 154 K HA -0.216 4.104 4.320 0.001 0.000 0.212 154 K C -0.568 175.945 176.600 -0.145 0.000 1.050 154 K CA 1.820 58.080 56.287 -0.044 0.000 0.927 154 K CB -0.678 31.803 32.500 -0.030 0.000 0.714 154 K HN 0.181 nan 8.250 nan 0.000 0.447 155 P HA -0.143 nan 4.420 nan 0.000 0.216 155 P C 1.318 178.430 177.300 -0.314 0.000 1.150 155 P CA 1.025 63.859 63.100 -0.444 0.000 0.837 155 P CB 0.122 31.210 31.700 -1.021 0.000 0.786 156 V N -0.674 119.092 119.914 -0.246 0.000 2.323 156 V HA -0.201 3.920 4.120 0.001 0.000 0.244 156 V C 2.426 178.491 176.094 -0.049 0.000 1.041 156 V CA 1.582 63.837 62.300 -0.076 0.000 1.025 156 V CB -1.277 30.568 31.823 0.036 0.000 0.656 156 V HN 0.042 nan 8.190 nan 0.000 0.451 157 L N -0.087 121.112 121.223 -0.040 0.000 2.046 157 L HA -0.204 4.136 4.340 0.001 0.000 0.208 157 L C 2.366 179.213 176.870 -0.038 0.000 1.077 157 L CA 1.623 56.451 54.840 -0.020 0.000 0.747 157 L CB -0.815 41.252 42.059 0.014 0.000 0.896 157 L HN 0.319 nan 8.230 nan 0.000 0.432 158 D N 0.079 120.444 120.400 -0.059 0.000 2.149 158 D HA -0.158 4.483 4.640 0.001 0.000 0.198 158 D C 2.162 178.428 176.300 -0.056 0.000 0.990 158 D CA 1.503 55.466 54.000 -0.062 0.000 0.839 158 D CB 0.006 40.759 40.800 -0.079 0.000 0.948 158 D HN 0.357 nan 8.370 nan 0.000 0.460 159 A N 0.368 123.151 122.820 -0.061 0.000 1.874 159 A HA -0.054 4.267 4.320 0.001 0.000 0.214 159 A C 2.354 179.921 177.584 -0.029 0.000 1.189 159 A CA 1.582 53.591 52.037 -0.046 0.000 0.615 159 A CB -0.589 18.380 19.000 -0.050 0.000 0.830 159 A HN 0.212 nan 8.150 nan 0.000 0.443 160 V N -3.673 116.227 119.914 -0.023 0.000 2.951 160 V HA 0.539 4.659 4.120 0.001 0.000 0.255 160 V C 0.949 177.035 176.094 -0.014 0.000 1.088 160 V CA 0.650 62.943 62.300 -0.012 0.000 1.109 160 V CB -0.934 30.887 31.823 -0.004 0.000 0.724 160 V HN 0.642 nan 8.190 nan 0.000 0.471 161 A N 0.440 123.247 122.820 -0.022 0.000 2.354 161 A HA 0.777 5.097 4.320 0.001 0.000 0.321 161 A C 0.762 178.324 177.584 -0.036 0.000 1.125 161 A CA 0.150 52.171 52.037 -0.027 0.000 0.799 161 A CB 1.777 20.759 19.000 -0.030 0.000 1.293 161 A HN 0.678 nan 8.150 nan 0.000 0.452 162 S N -0.352 115.324 115.700 -0.039 0.000 2.549 162 S HA 0.224 4.695 4.470 0.001 0.000 0.225 162 S C -0.021 174.531 174.600 -0.080 0.000 1.039 162 S CA 0.051 58.225 58.200 -0.045 0.000 0.942 162 S CB -0.194 62.994 63.200 -0.021 0.000 0.881 162 S HN 0.638 nan 8.310 nan 0.000 0.503 163 N N 0.751 119.388 118.700 -0.106 0.000 2.558 163 N HA 0.556 5.296 4.740 0.001 0.000 0.285 163 N C -1.948 173.365 175.510 -0.328 0.000 1.112 163 N CA -0.389 52.517 53.050 -0.240 0.000 0.857 163 N CB 2.466 40.872 38.487 -0.134 0.000 1.376 163 N HN 0.026 nan 8.380 nan 0.000 0.526 164 V N 2.880 122.546 119.914 -0.414 0.000 2.384 164 V HA 0.384 4.505 4.120 0.001 0.000 0.287 164 V C -1.038 174.793 176.094 -0.439 0.000 1.020 164 V CA -0.595 61.539 62.300 -0.276 0.000 0.850 164 V CB 0.400 32.166 31.823 -0.094 0.000 0.987 164 V HN 0.551 nan 8.190 nan 0.000 0.436 165 Y N 3.891 124.206 120.300 0.025 0.000 2.369 165 Y HA 0.513 5.064 4.550 0.001 0.000 0.337 165 Y C 0.818 176.743 175.900 0.043 0.000 0.961 165 Y CA -0.763 57.344 58.100 0.012 0.000 1.186 165 Y CB 1.138 39.601 38.460 0.005 0.000 1.139 165 Y HN 0.460 nan 8.280 nan 0.000 0.494 166 R N 4.332 124.882 120.500 0.084 0.000 2.248 166 R HA 0.211 4.552 4.340 0.001 0.000 0.337 166 R C 0.423 176.773 176.300 0.084 0.000 1.106 166 R CA -0.195 55.932 56.100 0.045 0.000 0.959 166 R CB 0.459 30.573 30.300 -0.311 0.000 1.075 166 R HN 0.704 nan 8.270 nan 0.000 0.480 167 I N 0.315 120.971 120.570 0.143 0.000 2.233 167 I HA -0.133 4.038 4.170 0.001 0.000 0.243 167 I C 1.333 177.495 176.117 0.076 0.000 1.093 167 I CA 1.318 62.676 61.300 0.097 0.000 1.380 167 I CB -0.987 37.067 38.000 0.089 0.000 1.067 167 I HN 0.529 nan 8.210 nan 0.000 0.413 168 S N 0.361 116.126 115.700 0.108 0.000 2.688 168 S HA 0.273 4.743 4.470 0.001 0.000 0.275 168 S C -0.158 174.528 174.600 0.143 0.000 1.175 168 S CA -0.371 57.882 58.200 0.089 0.000 0.818 168 S CB 1.925 65.165 63.200 0.067 0.000 1.157 168 S HN 0.276 nan 8.310 nan 0.000 0.482 169 D N 0.354 120.820 120.400 0.111 0.000 2.340 169 D HA 0.151 4.791 4.640 0.001 0.000 0.217 169 D C 0.521 176.890 176.300 0.115 0.000 1.081 169 D CA 0.387 54.472 54.000 0.142 0.000 0.842 169 D CB -0.146 40.708 40.800 0.089 0.000 0.934 169 D HN 0.742 nan 8.370 nan 0.000 0.511 170 T N -2.943 111.665 114.554 0.089 0.000 2.893 170 T HA 0.538 4.888 4.350 0.001 0.000 0.293 170 T C -3.198 171.529 174.700 0.044 0.000 1.027 170 T CA -2.071 60.062 62.100 0.057 0.000 0.988 170 T CB 2.361 71.253 68.868 0.040 0.000 1.043 170 T HN -0.342 nan 8.240 nan 0.000 0.461 171 P HA 0.382 nan 4.420 nan 0.000 0.265 171 P C 1.125 178.435 177.300 0.016 0.000 1.187 171 P CA 1.340 64.447 63.100 0.011 0.000 0.766 171 P CB 0.478 32.180 31.700 0.003 0.000 0.820 172 G N 1.876 110.684 108.800 0.014 0.000 3.031 172 G HA2 -0.219 3.741 3.960 0.001 0.000 0.198 172 G HA3 -0.219 3.741 3.960 0.001 0.000 0.198 172 G C 1.247 176.156 174.900 0.015 0.000 1.242 172 G CA 0.419 45.527 45.100 0.013 0.000 0.878 172 G HN 0.592 nan 8.290 nan 0.000 0.493 173 A N 1.053 123.888 122.820 0.024 0.000 1.933 173 A HA 0.330 4.651 4.320 0.001 0.000 0.218 173 A C 2.776 180.377 177.584 0.028 0.000 1.175 173 A CA 2.565 54.617 52.037 0.026 0.000 0.628 173 A CB -1.130 17.893 19.000 0.037 0.000 0.814 173 A HN 1.696 nan 8.150 nan 0.000 0.444 174 G N -0.750 108.072 108.800 0.037 0.000 2.446 174 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 174 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 174 G C 1.817 176.727 174.900 0.016 0.000 1.168 174 G CA 1.304 46.426 45.100 0.036 0.000 0.771 174 G HN 0.486 nan 8.290 nan 0.000 0.551 175 S N 0.096 115.802 115.700 0.009 0.000 2.402 175 S HA -0.085 4.386 4.470 0.001 0.000 0.229 175 S C 2.513 177.115 174.600 0.004 0.000 1.021 175 S CA 1.552 59.753 58.200 0.003 0.000 0.974 175 S CB -0.318 62.883 63.200 0.001 0.000 0.800 175 S HN 0.443 nan 8.310 nan 0.000 0.484 176 T N 1.846 116.402 114.554 0.004 0.000 2.821 176 T HA -0.037 4.313 4.350 0.001 0.000 0.267 176 T C 1.903 176.602 174.700 -0.001 0.000 1.046 176 T CA 1.047 63.146 62.100 -0.002 0.000 1.139 176 T CB -0.291 68.573 68.868 -0.007 0.000 0.871 176 T HN 0.191 nan 8.240 nan 0.000 0.454 177 V N 1.488 121.404 119.914 0.003 0.000 2.358 177 V HA -0.123 3.998 4.120 0.001 0.000 0.246 177 V C 2.493 178.603 176.094 0.028 0.000 1.047 177 V CA 1.493 63.796 62.300 0.005 0.000 1.035 177 V CB -0.472 31.352 31.823 0.001 0.000 0.658 177 V HN 0.305 nan 8.190 nan 0.000 0.452 178 K N 0.749 121.161 120.400 0.020 0.000 2.057 178 K HA -0.107 4.213 4.320 0.001 0.000 0.207 178 K C 1.795 178.437 176.600 0.070 0.000 1.049 178 K CA 1.653 57.960 56.287 0.033 0.000 0.931 178 K CB -0.580 31.918 32.500 -0.003 0.000 0.714 178 K HN 0.448 nan 8.250 nan 0.000 0.440 179 I N 0.270 120.861 120.570 0.035 0.000 2.179 179 I HA -0.281 3.890 4.170 0.001 0.000 0.242 179 I C 2.132 178.271 176.117 0.035 0.000 1.088 179 I CA 1.341 62.658 61.300 0.029 0.000 1.357 179 I CB -0.240 37.766 38.000 0.010 0.000 1.051 179 I HN 0.119 nan 8.210 nan 0.000 0.409 180 I N -0.155 120.430 120.570 0.024 0.000 2.226 180 I HA -0.351 3.819 4.170 0.001 0.000 0.245 180 I C 2.717 178.845 176.117 0.018 0.000 1.100 180 I CA 1.391 62.694 61.300 0.006 0.000 1.374 180 I CB -0.799 37.191 38.000 -0.016 0.000 1.057 180 I HN 0.393 nan 8.210 nan 0.000 0.413 181 H N 1.389 120.444 119.070 -0.024 0.000 2.352 181 H HA -0.186 4.370 4.556 0.001 0.000 0.299 181 H C 1.974 177.308 175.328 0.009 0.000 1.097 181 H CA 1.537 57.573 56.048 -0.020 0.000 1.311 181 H CB 0.166 29.911 29.762 -0.027 0.000 1.377 181 H HN 0.326 nan 8.280 nan 0.000 0.504 182 Q N 0.812 120.655 119.800 0.073 0.000 2.291 182 Q HA -0.083 4.258 4.340 0.001 0.000 0.205 182 Q C 2.689 178.734 176.000 0.075 0.000 0.970 182 Q CA 0.529 56.397 55.803 0.108 0.000 0.876 182 Q CB -0.350 28.454 28.738 0.111 0.000 0.935 182 Q HN 0.540 nan 8.270 nan 0.000 0.455 183 L N -0.231 120.993 121.223 0.001 0.000 2.017 183 L HA -0.169 4.171 4.340 0.001 0.000 0.208 183 L C 2.072 178.875 176.870 -0.112 0.000 1.073 183 L CA 1.030 55.866 54.840 -0.007 0.000 0.745 183 L CB -0.191 41.865 42.059 -0.006 0.000 0.894 183 L HN 0.179 nan 8.230 nan 0.000 0.432 184 L N -0.269 120.812 121.223 -0.237 0.000 2.027 184 L HA -0.175 4.165 4.340 0.001 0.000 0.206 184 L C 2.884 179.403 176.870 -0.585 0.000 1.074 184 L CA 1.150 55.686 54.840 -0.507 0.000 0.745 184 L CB -0.832 40.952 42.059 -0.458 0.000 0.898 184 L HN 0.362 nan 8.230 nan 0.000 0.433 185 A N 0.333 122.952 122.820 -0.335 0.000 1.883 185 A HA -0.170 4.151 4.320 0.001 0.000 0.217 185 A C 2.387 179.840 177.584 -0.218 0.000 1.186 185 A CA 1.965 53.928 52.037 -0.123 0.000 0.624 185 A CB -1.369 17.702 19.000 0.117 0.000 0.822 185 A HN 0.456 nan 8.150 nan 0.000 0.444 186 G N -0.798 107.883 108.800 -0.200 0.000 2.421 186 G HA2 -0.092 3.869 3.960 0.001 0.000 0.216 186 G HA3 -0.092 3.869 3.960 0.001 0.000 0.216 186 G C 1.514 176.400 174.900 -0.024 0.000 1.171 186 G CA 1.209 46.080 45.100 -0.382 0.000 0.775 186 G HN 0.328 nan 8.290 nan 0.000 0.543 187 V N 0.450 120.352 119.914 -0.020 0.000 2.407 187 V HA -0.195 3.926 4.120 0.001 0.000 0.248 187 V C 2.407 178.571 176.094 0.117 0.000 1.055 187 V CA 2.106 64.433 62.300 0.045 0.000 1.049 187 V CB -0.806 31.015 31.823 -0.003 0.000 0.662 187 V HN 0.550 nan 8.190 nan 0.000 0.455 188 H N -0.688 118.404 119.070 0.036 0.000 2.353 188 H HA -0.090 4.467 4.556 0.001 0.000 0.300 188 H C 2.349 177.718 175.328 0.068 0.000 1.090 188 H CA 1.536 57.620 56.048 0.060 0.000 1.327 188 H CB 0.017 29.823 29.762 0.073 0.000 1.383 188 H HN 0.340 nan 8.280 nan 0.000 0.508 189 I N 0.692 121.350 120.570 0.147 0.000 2.179 189 I HA -0.257 3.914 4.170 0.001 0.000 0.242 189 I C 2.796 178.965 176.117 0.088 0.000 1.088 189 I CA 0.883 62.248 61.300 0.108 0.000 1.357 189 I CB -0.275 37.773 38.000 0.080 0.000 1.051 189 I HN 0.291 nan 8.210 nan 0.000 0.409 190 A N 0.694 123.551 122.820 0.063 0.000 1.902 190 A HA -0.141 4.179 4.320 0.001 0.000 0.217 190 A C 2.529 180.142 177.584 0.050 0.000 1.181 190 A CA 1.811 53.815 52.037 -0.054 0.000 0.623 190 A CB -0.786 18.145 19.000 -0.115 0.000 0.818 190 A HN 0.436 nan 8.150 nan 0.000 0.443 191 A N -0.154 122.725 122.820 0.099 0.000 1.898 191 A HA 0.194 4.514 4.320 0.001 0.000 0.216 191 A C 2.496 180.148 177.584 0.113 0.000 1.181 191 A CA 1.962 54.062 52.037 0.105 0.000 0.620 191 A CB -0.978 18.101 19.000 0.131 0.000 0.819 191 A HN 1.018 nan 8.150 nan 0.000 0.442 192 A N 0.022 122.940 122.820 0.163 0.000 1.877 192 A HA 0.123 4.443 4.320 0.001 0.000 0.216 192 A C 2.527 180.161 177.584 0.084 0.000 1.186 192 A CA 2.231 54.411 52.037 0.239 0.000 0.620 192 A CB -1.095 17.999 19.000 0.157 0.000 0.822 192 A HN 1.072 nan 8.150 nan 0.000 0.443 193 A N -0.416 122.421 122.820 0.029 0.000 1.902 193 A HA -0.208 4.113 4.320 0.001 0.000 0.217 193 A C 2.041 179.556 177.584 -0.116 0.000 1.181 193 A CA 1.932 53.970 52.037 0.001 0.000 0.623 193 A CB -0.600 18.436 19.000 0.061 0.000 0.818 193 A HN 0.694 nan 8.150 nan 0.000 0.443 194 E N 0.082 120.212 120.200 -0.117 0.000 2.058 194 E HA -0.009 4.341 4.350 0.001 0.000 0.194 194 E C 1.285 177.678 176.600 -0.346 0.000 0.997 194 E CA 0.632 56.782 56.400 -0.416 0.000 0.801 194 E CB -0.272 29.375 29.700 -0.090 0.000 0.746 194 E HN 0.626 nan 8.360 nan 0.000 0.450 198 L N 1.268 122.345 121.223 -0.242 0.000 2.046 198 L HA 0.187 4.527 4.340 0.001 0.000 0.208 198 L C 2.462 179.286 176.870 -0.076 0.000 1.077 198 L CA 2.915 57.666 54.840 -0.148 0.000 0.747 198 L CB -0.689 41.287 42.059 -0.138 0.000 0.896 198 L HN 0.564 nan 8.230 nan 0.000 0.432 199 A N -0.308 122.478 122.820 -0.057 0.000 1.908 199 A HA -0.127 4.193 4.320 0.001 0.000 0.218 199 A C 2.470 180.045 177.584 -0.015 0.000 1.181 199 A CA 1.953 53.978 52.037 -0.020 0.000 0.627 199 A CB -1.217 17.790 19.000 0.010 0.000 0.818 199 A HN 0.595 nan 8.150 nan 0.000 0.445 200 A N -0.259 122.548 122.820 -0.022 0.000 1.877 200 A HA -0.152 4.169 4.320 0.001 0.000 0.216 200 A C 2.182 179.760 177.584 -0.011 0.000 1.186 200 A CA 2.139 54.170 52.037 -0.011 0.000 0.620 200 A CB -0.454 18.540 19.000 -0.009 0.000 0.822 200 A HN 0.462 nan 8.150 nan 0.000 0.443 201 R N 0.284 120.772 120.500 -0.021 0.000 2.120 201 R HA -0.011 4.330 4.340 0.001 0.000 0.234 201 R C 1.853 178.147 176.300 -0.009 0.000 1.123 201 R CA 1.803 57.895 56.100 -0.012 0.000 0.975 201 R CB -0.745 29.544 30.300 -0.018 0.000 0.866 201 R HN 0.388 nan 8.270 nan 0.000 0.446 202 A N -1.089 121.722 122.820 -0.014 0.000 2.208 202 A HA 0.289 4.610 4.320 0.001 0.000 0.209 202 A C 1.387 178.967 177.584 -0.005 0.000 1.161 202 A CA 0.701 52.732 52.037 -0.010 0.000 0.782 202 A CB -0.467 18.524 19.000 -0.014 0.000 0.816 202 A HN 0.572 nan 8.150 nan 0.000 0.477 203 G N -0.941 107.857 108.800 -0.003 0.000 2.132 203 G HA2 -0.166 3.795 3.960 0.001 0.000 0.228 203 G HA3 -0.166 3.795 3.960 0.001 0.000 0.228 203 G C -0.124 174.777 174.900 0.002 0.000 1.000 203 G CA 0.111 45.211 45.100 0.000 0.000 0.693 203 G HN 0.301 nan 8.290 nan 0.000 0.515 204 I N 1.027 121.598 120.570 0.003 0.000 2.342 204 I HA 0.306 4.477 4.170 0.001 0.000 0.291 204 I C -1.800 174.326 176.117 0.015 0.000 1.010 204 I CA -3.006 58.299 61.300 0.008 0.000 1.308 204 I CB 0.769 38.775 38.000 0.009 0.000 1.400 204 I HN -0.150 nan 8.210 nan 0.000 0.488 205 P HA 0.122 nan 4.420 nan 0.000 0.264 205 P C 1.111 178.433 177.300 0.036 0.000 1.193 205 P CA -0.040 63.072 63.100 0.020 0.000 0.763 205 P CB 0.713 32.423 31.700 0.017 0.000 0.810 206 L N 2.231 123.473 121.223 0.033 0.000 2.141 206 L HA -0.161 4.179 4.340 0.001 0.000 0.209 206 L C 1.972 178.893 176.870 0.085 0.000 1.094 206 L CA 1.516 56.387 54.840 0.053 0.000 0.763 206 L CB -0.721 41.351 42.059 0.021 0.000 0.908 206 L HN 0.480 nan 8.230 nan 0.000 0.437 207 D N 0.097 120.527 120.400 0.051 0.000 2.144 207 D HA -0.095 4.546 4.640 0.001 0.000 0.200 207 D C 1.247 177.626 176.300 0.132 0.000 0.978 207 D CA 0.568 54.608 54.000 0.068 0.000 0.833 207 D CB -0.760 40.050 40.800 0.016 0.000 0.961 207 D HN 0.111 nan 8.370 nan 0.000 0.470 211 D N 0.793 121.341 120.400 0.246 0.000 2.123 211 D HA -0.139 4.501 4.640 0.001 0.000 0.196 211 D C 2.129 178.504 176.300 0.124 0.000 0.992 211 D CA 2.057 56.162 54.000 0.175 0.000 0.833 211 D CB -0.179 40.693 40.800 0.120 0.000 0.954 211 D HN 0.307 nan 8.370 nan 0.000 0.455 212 V N 0.874 120.812 119.914 0.040 0.000 2.261 212 V HA -0.220 3.901 4.120 0.001 0.000 0.246 212 V C 2.737 178.791 176.094 -0.066 0.000 1.047 212 V CA 1.149 63.444 62.300 -0.007 0.000 1.015 212 V CB -0.549 31.258 31.823 -0.027 0.000 0.642 212 V HN 0.044 nan 8.190 nan 0.000 0.446 213 V N 0.946 120.753 119.914 -0.177 0.000 2.287 213 V HA -0.263 3.857 4.120 0.001 0.000 0.248 213 V C 2.620 178.476 176.094 -0.397 0.000 1.053 213 V CA 2.523 64.580 62.300 -0.405 0.000 1.027 213 V CB -1.295 29.992 31.823 -0.893 0.000 0.646 213 V HN 0.836 nan 8.190 nan 0.000 0.447 214 T N -2.985 111.351 114.554 -0.363 0.000 3.155 214 T HA -0.127 4.224 4.350 0.001 0.000 0.264 214 T C 0.930 175.344 174.700 -0.475 0.000 1.160 214 T CA 1.261 63.117 62.100 -0.406 0.000 1.075 214 T CB -0.485 68.074 68.868 -0.516 0.000 0.921 214 T HN 0.682 nan 8.240 nan 0.000 0.533 215 H N -0.042 118.921 119.070 -0.177 0.000 2.767 215 H HA 0.738 5.295 4.556 0.001 0.000 0.260 215 H C 0.555 175.815 175.328 -0.113 0.000 1.172 215 H CA -0.035 55.944 56.048 -0.116 0.000 1.048 215 H CB 0.611 30.323 29.762 -0.084 0.000 1.697 215 H HN 0.547 nan 8.280 nan 0.000 0.606 216 A N 0.069 122.838 122.820 -0.085 0.000 2.483 216 A HA 0.766 5.087 4.320 0.001 0.000 0.286 216 A C 0.937 178.446 177.584 -0.125 0.000 1.207 216 A CA -0.134 51.847 52.037 -0.093 0.000 0.764 216 A CB 0.371 19.307 19.000 -0.107 0.000 1.341 216 A HN 0.211 nan 8.150 nan 0.000 0.428 217 A N -0.943 121.814 122.820 -0.106 0.000 2.168 217 A HA 0.303 4.623 4.320 0.001 0.000 0.215 217 A C 1.599 179.103 177.584 -0.134 0.000 1.152 217 A CA 1.712 53.689 52.037 -0.101 0.000 0.716 217 A CB -0.733 18.224 19.000 -0.072 0.000 0.794 217 A HN 1.553 nan 8.150 nan 0.000 0.465 218 G N -0.543 108.147 108.800 -0.183 0.000 3.042 218 G HA2 0.087 4.048 3.960 0.001 0.000 0.212 218 G HA3 0.087 4.048 3.960 0.001 0.000 0.212 218 G C 0.479 175.183 174.900 -0.327 0.000 1.166 218 G CA -0.107 44.855 45.100 -0.229 0.000 0.767 218 G HN 0.453 nan 8.290 nan 0.000 0.546 219 N N 1.051 119.561 118.700 -0.318 0.000 2.444 219 N HA 0.365 5.106 4.740 0.001 0.000 0.255 219 N C 0.094 175.475 175.510 -0.214 0.000 1.255 219 N CA 0.315 53.160 53.050 -0.343 0.000 0.933 219 N CB 1.008 39.328 38.487 -0.278 0.000 1.143 219 N HN 0.201 nan 8.380 nan 0.000 0.453 220 S N 0.787 116.414 115.700 -0.122 0.000 2.579 220 S HA 0.381 4.852 4.470 0.001 0.000 0.272 220 S C -0.772 173.892 174.600 0.106 0.000 1.141 220 S CA -1.022 57.147 58.200 -0.051 0.000 0.843 220 S CB 0.373 63.451 63.200 -0.204 0.000 1.122 220 S HN 0.654 nan 8.310 nan 0.000 0.468 224 E N 1.022 121.289 120.200 0.111 0.000 2.085 224 E HA -0.237 4.113 4.350 0.001 0.000 0.194 224 E C 1.714 178.229 176.600 -0.142 0.000 0.994 224 E CA 1.754 58.141 56.400 -0.023 0.000 0.801 224 E CB -0.304 29.288 29.700 -0.180 0.000 0.743 224 E HN 0.490 nan 8.360 nan 0.000 0.453 225 N N 0.004 118.468 118.700 -0.394 0.000 2.148 225 N HA -0.086 4.655 4.740 0.001 0.000 0.186 225 N C 0.574 175.781 175.510 -0.506 0.000 1.031 225 N CA 0.516 53.276 53.050 -0.483 0.000 0.848 225 N CB 0.193 38.240 38.487 -0.734 0.000 1.005 225 N HN -0.042 nan 8.380 nan 0.000 0.427 229 H N -0.394 118.508 119.070 -0.279 0.000 2.353 229 H HA -0.030 4.527 4.556 0.001 0.000 0.300 229 H C 1.689 176.764 175.328 -0.422 0.000 1.090 229 H CA 1.397 57.260 56.048 -0.309 0.000 1.327 229 H CB 0.501 30.113 29.762 -0.250 0.000 1.383 229 H HN 0.052 nan 8.280 nan 0.000 0.508 230 V N 0.586 120.370 119.914 -0.216 0.000 2.307 230 V HA -0.219 3.901 4.120 0.001 0.000 0.245 230 V C 2.484 178.475 176.094 -0.171 0.000 1.045 230 V CA 1.334 63.521 62.300 -0.187 0.000 1.024 230 V CB -0.336 31.447 31.823 -0.066 0.000 0.651 230 V HN 0.246 nan 8.190 nan 0.000 0.449 231 V N 0.241 120.030 119.914 -0.208 0.000 2.407 231 V HA -0.241 3.880 4.120 0.001 0.000 0.248 231 V C 1.973 177.970 176.094 -0.162 0.000 1.055 231 V CA 2.118 64.306 62.300 -0.186 0.000 1.049 231 V CB -0.623 31.024 31.823 -0.293 0.000 0.662 231 V HN 0.582 nan 8.190 nan 0.000 0.455 232 D N -0.120 120.166 120.400 -0.191 0.000 2.349 232 D HA 0.129 4.769 4.640 0.001 0.000 0.224 232 D C 1.778 177.977 176.300 -0.168 0.000 1.029 232 D CA 1.002 54.907 54.000 -0.158 0.000 0.879 232 D CB 0.134 40.844 40.800 -0.151 0.000 0.906 232 D HN 0.520 nan 8.370 nan 0.000 0.528 233 G N 2.258 110.924 108.800 -0.224 0.000 2.225 233 G HA2 -0.284 3.677 3.960 0.001 0.000 0.267 233 G HA3 -0.284 3.677 3.960 0.001 0.000 0.267 233 G C -0.144 174.566 174.900 -0.315 0.000 1.024 233 G CA 0.415 45.380 45.100 -0.226 0.000 0.784 233 G HN 0.334 nan 8.290 nan 0.000 0.507 234 D N -0.717 119.410 120.400 -0.453 0.000 2.472 234 D HA 0.494 5.135 4.640 0.001 0.000 0.234 234 D C 0.523 176.530 176.300 -0.487 0.000 1.088 234 D CA -1.003 52.790 54.000 -0.345 0.000 0.882 234 D CB 0.098 40.754 40.800 -0.240 0.000 1.037 234 D HN 0.196 nan 8.370 nan 0.000 0.520 235 Y N 1.657 121.933 120.300 -0.040 0.000 2.583 235 Y HA 0.187 4.738 4.550 0.001 0.000 0.294 235 Y C 0.951 176.836 175.900 -0.024 0.000 1.170 235 Y CA -0.315 57.772 58.100 -0.022 0.000 1.265 235 Y CB -0.012 38.441 38.460 -0.011 0.000 1.119 235 Y HN 0.187 nan 8.280 nan 0.000 0.522 236 T N 5.294 119.844 114.554 -0.007 0.000 2.908 236 T HA 0.023 4.374 4.350 0.001 0.000 0.301 236 T C -2.356 172.339 174.700 -0.009 0.000 1.019 236 T CA -0.927 61.169 62.100 -0.006 0.000 1.152 236 T CB 0.411 69.244 68.868 -0.058 0.000 0.966 236 T HN 0.087 nan 8.240 nan 0.000 0.540 237 P HA 0.235 nan 4.420 nan 0.000 0.270 237 P C 0.027 177.355 177.300 0.045 0.000 1.242 237 P CA -0.305 62.835 63.100 0.067 0.000 0.768 237 P CB 1.129 32.880 31.700 0.085 0.000 0.820 238 R N 1.746 122.285 120.500 0.065 0.000 2.103 238 R HA 0.195 4.536 4.340 0.001 0.000 0.212 238 R C 0.816 177.186 176.300 0.117 0.000 1.107 238 R CA 0.841 56.990 56.100 0.080 0.000 1.025 238 R CB -0.163 30.210 30.300 0.121 0.000 0.929 238 R HN 0.418 nan 8.270 nan 0.000 0.456 239 S N -0.142 115.654 115.700 0.160 0.000 2.733 239 S HA 0.725 5.195 4.470 0.001 0.000 0.294 239 S C -1.003 173.706 174.600 0.182 0.000 1.149 239 S CA -0.734 57.560 58.200 0.158 0.000 1.034 239 S CB 1.113 64.439 63.200 0.210 0.000 1.015 239 S HN 0.348 nan 8.310 nan 0.000 0.486 240 A N 3.689 126.588 122.820 0.132 0.000 2.366 240 A HA 0.478 4.799 4.320 0.001 0.000 0.249 240 A C 1.466 179.159 177.584 0.182 0.000 1.084 240 A CA -0.351 51.775 52.037 0.149 0.000 0.794 240 A CB 0.073 19.135 19.000 0.103 0.000 1.034 240 A HN 0.888 nan 8.150 nan 0.000 0.491 241 V N 1.200 121.252 119.914 0.229 0.000 2.282 241 V HA -0.234 3.886 4.120 0.001 0.000 0.249 241 V C 1.906 178.106 176.094 0.177 0.000 1.057 241 V CA 2.542 65.020 62.300 0.297 0.000 1.032 241 V CB -0.823 31.205 31.823 0.341 0.000 0.645 241 V HN 0.901 nan 8.190 nan 0.000 0.447 242 D N -0.333 120.141 120.400 0.124 0.000 2.311 242 D HA -0.120 4.520 4.640 0.001 0.000 0.212 242 D C 1.983 178.275 176.300 -0.013 0.000 0.972 242 D CA 0.826 54.863 54.000 0.063 0.000 0.887 242 D CB -0.099 40.732 40.800 0.052 0.000 0.915 242 D HN 0.312 nan 8.370 nan 0.000 0.497 243 I N -0.253 120.285 120.570 -0.054 0.000 2.252 243 I HA -0.206 3.965 4.170 0.001 0.000 0.245 243 I C 2.009 177.899 176.117 -0.378 0.000 1.102 243 I CA 0.945 62.123 61.300 -0.205 0.000 1.385 243 I CB -0.897 36.949 38.000 -0.256 0.000 1.064 243 I HN -0.030 nan 8.210 nan 0.000 0.414 244 F N 0.208 119.991 119.950 -0.277 0.000 2.456 244 F HA -0.044 4.483 4.527 0.001 0.000 0.298 244 F C 2.418 178.038 175.800 -0.299 0.000 1.104 244 F CA 0.454 58.185 58.000 -0.449 0.000 1.435 244 F CB -0.405 37.939 39.000 -1.094 0.000 1.078 244 F HN -0.210 nan 8.300 nan 0.000 0.546 245 V N 0.429 120.320 119.914 -0.038 0.000 2.343 245 V HA -0.316 3.805 4.120 0.001 0.000 0.247 245 V C 2.459 178.561 176.094 0.014 0.000 1.051 245 V CA 2.082 64.416 62.300 0.057 0.000 1.036 245 V CB -0.515 31.359 31.823 0.085 0.000 0.654 245 V HN 0.282 nan 8.190 nan 0.000 0.451 246 K N 0.005 120.381 120.400 -0.039 0.000 2.001 246 K HA -0.206 4.115 4.320 0.001 0.000 0.208 246 K C 1.858 178.421 176.600 -0.062 0.000 1.048 246 K CA 2.008 58.266 56.287 -0.049 0.000 0.932 246 K CB -0.279 32.178 32.500 -0.072 0.000 0.715 246 K HN 0.381 nan 8.250 nan 0.000 0.437 247 D N 1.022 121.342 120.400 -0.133 0.000 2.097 247 D HA -0.144 4.497 4.640 0.001 0.000 0.195 247 D C 1.946 178.240 176.300 -0.010 0.000 0.989 247 D CA 1.082 55.011 54.000 -0.119 0.000 0.827 247 D CB -0.129 40.499 40.800 -0.286 0.000 0.966 247 D HN 0.234 nan 8.370 nan 0.000 0.456 248 L N 0.181 121.431 121.223 0.045 0.000 2.376 248 L HA 0.019 4.360 4.340 0.001 0.000 0.219 248 L C 2.365 179.277 176.870 0.070 0.000 1.133 248 L CA 0.816 55.714 54.840 0.096 0.000 0.816 248 L CB -0.355 41.798 42.059 0.158 0.000 0.933 248 L HN 0.082 nan 8.230 nan 0.000 0.449 249 G N 0.055 108.883 108.800 0.046 0.000 2.403 249 G HA2 -0.233 3.727 3.960 0.001 0.000 0.216 249 G HA3 -0.233 3.727 3.960 0.001 0.000 0.216 249 G C 1.515 176.433 174.900 0.030 0.000 1.154 249 G CA 0.271 45.395 45.100 0.040 0.000 0.784 249 G HN 0.201 nan 8.290 nan 0.000 0.538 250 L N 0.933 122.166 121.223 0.017 0.000 2.093 250 L HA 0.067 4.408 4.340 0.001 0.000 0.208 250 L C 2.846 179.730 176.870 0.023 0.000 1.085 250 L CA 1.229 56.076 54.840 0.012 0.000 0.755 250 L CB -0.487 41.569 42.059 -0.004 0.000 0.904 250 L HN 0.072 nan 8.230 nan 0.000 0.435 251 V N 0.042 119.976 119.914 0.033 0.000 2.295 251 V HA -0.296 3.824 4.120 0.001 0.000 0.246 251 V C 2.807 178.934 176.094 0.055 0.000 1.049 251 V CA 1.605 63.930 62.300 0.043 0.000 1.024 251 V CB -1.270 30.588 31.823 0.057 0.000 0.648 251 V HN 0.604 nan 8.190 nan 0.000 0.447 252 A N -0.035 122.821 122.820 0.060 0.000 1.883 252 A HA -0.290 4.031 4.320 0.001 0.000 0.217 252 A C 2.006 179.624 177.584 0.056 0.000 1.186 252 A CA 2.226 54.302 52.037 0.065 0.000 0.624 252 A CB -0.719 18.317 19.000 0.060 0.000 0.822 252 A HN 0.553 nan 8.150 nan 0.000 0.444 253 D N -0.670 119.755 120.400 0.042 0.000 2.117 253 D HA -0.095 4.545 4.640 0.001 0.000 0.197 253 D C 2.065 178.386 176.300 0.035 0.000 0.987 253 D CA 1.860 55.880 54.000 0.035 0.000 0.829 253 D CB -0.778 40.036 40.800 0.024 0.000 0.961 253 D HN 0.415 nan 8.370 nan 0.000 0.460 254 T N 0.787 115.360 114.554 0.031 0.000 2.684 254 T HA -0.138 4.213 4.350 0.001 0.000 0.267 254 T C 2.014 176.736 174.700 0.037 0.000 1.036 254 T CA 1.683 63.796 62.100 0.022 0.000 1.148 254 T CB -0.313 68.560 68.868 0.007 0.000 0.863 254 T HN 0.207 nan 8.240 nan 0.000 0.436 255 A N 1.358 124.218 122.820 0.066 0.000 1.902 255 A HA -0.091 4.229 4.320 0.001 0.000 0.217 255 A C 2.213 179.877 177.584 0.134 0.000 1.181 255 A CA 1.996 54.113 52.037 0.134 0.000 0.623 255 A CB -0.533 18.592 19.000 0.208 0.000 0.818 255 A HN 0.483 nan 8.150 nan 0.000 0.443 256 K N -0.259 120.196 120.400 0.091 0.000 2.097 256 K HA -0.057 4.264 4.320 0.001 0.000 0.206 256 K C 2.045 178.682 176.600 0.061 0.000 1.049 256 K CA 1.223 57.553 56.287 0.072 0.000 0.933 256 K CB -0.330 32.200 32.500 0.051 0.000 0.717 256 K HN 0.358 nan 8.250 nan 0.000 0.442 257 A N 0.656 123.507 122.820 0.050 0.000 2.019 257 A HA -0.081 4.240 4.320 0.001 0.000 0.219 257 A C 1.800 179.411 177.584 0.045 0.000 1.164 257 A CA 1.164 53.224 52.037 0.038 0.000 0.644 257 A CB -0.365 18.651 19.000 0.026 0.000 0.805 257 A HN 0.339 nan 8.150 nan 0.000 0.449 258 L N -1.911 119.350 121.223 0.063 0.000 2.592 258 L HA 0.201 4.541 4.340 0.001 0.000 0.227 258 L C 1.153 178.097 176.870 0.123 0.000 1.127 258 L CA 0.042 54.928 54.840 0.076 0.000 0.884 258 L CB -0.024 42.069 42.059 0.057 0.000 1.065 258 L HN 0.509 nan 8.230 nan 0.000 0.457 259 R N 0.677 121.244 120.500 0.111 0.000 3.333 259 R HA -0.252 4.089 4.340 0.001 0.000 0.256 259 R C -0.862 175.529 176.300 0.152 0.000 1.010 259 R CA 0.140 56.299 56.100 0.099 0.000 0.680 259 R CB -1.475 28.866 30.300 0.068 0.000 1.102 259 R HN 0.236 nan 8.270 nan 0.000 0.440 260 F N 1.835 121.791 119.950 0.011 0.000 2.507 260 F HA 0.646 5.173 4.527 0.001 0.000 0.325 260 F C -2.008 173.800 175.800 0.013 0.000 1.116 260 F CA -2.315 55.692 58.000 0.012 0.000 0.930 260 F CB 1.453 40.460 39.000 0.012 0.000 1.146 260 F HN -0.020 nan 8.300 nan 0.000 0.447 261 P HA 0.318 nan 4.420 nan 0.000 0.284 261 P C -1.322 175.854 177.300 -0.207 0.000 1.253 261 P CA -0.330 62.607 63.100 -0.272 0.000 0.800 261 P CB 1.969 33.498 31.700 -0.285 0.000 0.961 262 L N 4.531 125.745 121.223 -0.016 0.000 2.457 262 L HA 0.262 4.603 4.340 0.001 0.000 0.252 262 L C -1.732 175.158 176.870 0.033 0.000 1.132 262 L CA -1.760 53.117 54.840 0.062 0.000 0.938 262 L CB 1.711 43.847 42.059 0.128 0.000 1.246 262 L HN 0.146 nan 8.230 nan 0.000 0.476 263 P HA -0.142 nan 4.420 nan 0.000 0.214 263 P C 1.654 178.975 177.300 0.036 0.000 1.163 263 P CA 1.354 64.461 63.100 0.012 0.000 0.883 263 P CB 0.440 32.139 31.700 -0.001 0.000 0.788 264 L N -1.480 119.772 121.223 0.049 0.000 2.095 264 L HA -0.021 4.320 4.340 0.001 0.000 0.204 264 L C 2.466 179.379 176.870 0.072 0.000 1.080 264 L CA 1.249 56.125 54.840 0.060 0.000 0.759 264 L CB -1.100 40.997 42.059 0.063 0.000 0.914 264 L HN -0.091 nan 8.230 nan 0.000 0.439 265 A N 0.210 123.077 122.820 0.079 0.000 1.969 265 A HA -0.177 4.144 4.320 0.001 0.000 0.218 265 A C 2.522 180.166 177.584 0.099 0.000 1.169 265 A CA 1.760 53.853 52.037 0.093 0.000 0.635 265 A CB -0.546 18.511 19.000 0.095 0.000 0.810 265 A HN 0.502 nan 8.150 nan 0.000 0.445 266 S N -1.091 114.657 115.700 0.080 0.000 2.406 266 S HA -0.115 4.355 4.470 0.001 0.000 0.228 266 S C 1.821 176.464 174.600 0.070 0.000 1.020 266 S CA 1.739 59.982 58.200 0.072 0.000 0.965 266 S CB -0.970 62.261 63.200 0.052 0.000 0.798 266 S HN 0.441 nan 8.310 nan 0.000 0.488 267 T N 2.683 117.275 114.554 0.063 0.000 2.737 267 T HA 0.145 4.496 4.350 0.001 0.000 0.265 267 T C 2.250 176.988 174.700 0.064 0.000 1.038 267 T CA 1.334 63.466 62.100 0.052 0.000 1.144 267 T CB -0.811 68.085 68.868 0.047 0.000 0.866 267 T HN 0.615 nan 8.240 nan 0.000 0.434 268 A N 1.454 124.333 122.820 0.097 0.000 1.902 268 A HA -0.029 4.291 4.320 0.001 0.000 0.217 268 A C 2.242 179.981 177.584 0.258 0.000 1.181 268 A CA 1.342 53.467 52.037 0.146 0.000 0.623 268 A CB -0.820 18.305 19.000 0.209 0.000 0.818 268 A HN 0.412 nan 8.150 nan 0.000 0.443 269 L N 0.350 121.710 121.223 0.227 0.000 2.046 269 L HA -0.083 4.257 4.340 0.001 0.000 0.208 269 L C 0.885 177.864 176.870 0.182 0.000 1.077 269 L CA 1.276 56.257 54.840 0.235 0.000 0.747 269 L CB -0.904 41.245 42.059 0.151 0.000 0.896 269 L HN 0.304 nan 8.230 nan 0.000 0.432 273 T N -0.399 114.290 114.554 0.225 0.000 2.746 273 T HA -0.127 4.224 4.350 0.001 0.000 0.267 273 T C 1.969 176.716 174.700 0.079 0.000 1.039 273 T CA 2.070 64.251 62.100 0.134 0.000 1.142 273 T CB -0.277 68.649 68.868 0.097 0.000 0.866 273 T HN 0.149 nan 8.240 nan 0.000 0.444 274 S N 1.243 116.969 115.700 0.043 0.000 2.368 274 S HA -0.013 4.458 4.470 0.001 0.000 0.225 274 S C 2.567 177.183 174.600 0.027 0.000 1.030 274 S CA 0.922 59.124 58.200 0.003 0.000 0.999 274 S CB -0.492 62.679 63.200 -0.048 0.000 0.844 274 S HN 0.587 nan 8.310 nan 0.000 0.459 275 A N 0.791 123.654 122.820 0.070 0.000 1.933 275 A HA -0.092 4.228 4.320 0.001 0.000 0.218 275 A C 2.281 179.959 177.584 0.157 0.000 1.175 275 A CA 1.957 54.102 52.037 0.180 0.000 0.628 275 A CB -0.952 18.159 19.000 0.184 0.000 0.814 275 A HN 0.469 nan 8.150 nan 0.000 0.444 276 S N 0.134 115.910 115.700 0.126 0.000 2.368 276 S HA -0.148 4.322 4.470 0.001 0.000 0.224 276 S C 1.807 176.402 174.600 -0.007 0.000 1.029 276 S CA 1.431 59.678 58.200 0.078 0.000 0.988 276 S CB -0.528 62.731 63.200 0.098 0.000 0.838 276 S HN 0.651 nan 8.310 nan 0.000 0.462 277 N N 1.900 120.593 118.700 -0.011 0.000 2.381 277 N HA 0.065 4.806 4.740 0.001 0.000 0.182 277 N C 1.449 176.893 175.510 -0.110 0.000 1.025 277 N CA 1.035 54.058 53.050 -0.045 0.000 0.888 277 N CB -0.602 37.869 38.487 -0.027 0.000 0.965 277 N HN 0.501 nan 8.380 nan 0.000 0.438 278 A N -0.157 122.565 122.820 -0.163 0.000 2.235 278 A HA 0.398 4.718 4.320 0.001 0.000 0.208 278 A C 1.525 178.748 177.584 -0.603 0.000 1.172 278 A CA 0.868 52.713 52.037 -0.320 0.000 0.786 278 A CB -0.298 18.542 19.000 -0.267 0.000 0.804 278 A HN 0.319 nan 8.150 nan 0.000 0.479 279 G N -2.569 105.968 108.800 -0.438 0.000 2.159 279 G HA2 -0.258 3.702 3.960 0.001 0.000 0.227 279 G HA3 -0.258 3.702 3.960 0.001 0.000 0.227 279 G C 0.236 174.933 174.900 -0.338 0.000 0.986 279 G CA 0.362 45.233 45.100 -0.383 0.000 0.651 279 G HN 0.483 nan 8.290 nan 0.000 0.523 280 Y N 0.885 121.191 120.300 0.010 0.000 2.524 280 Y HA 0.410 4.961 4.550 0.001 0.000 0.266 280 Y C 2.409 178.343 175.900 0.057 0.000 1.180 280 Y CA -0.148 57.962 58.100 0.017 0.000 1.244 280 Y CB -0.225 38.228 38.460 -0.012 0.000 1.125 280 Y HN 0.197 nan 8.280 nan 0.000 0.524 281 G N 0.876 109.760 108.800 0.140 0.000 2.503 281 G HA2 -0.286 3.674 3.960 0.001 0.000 0.221 281 G HA3 -0.286 3.674 3.960 0.001 0.000 0.221 281 G C 1.562 176.540 174.900 0.130 0.000 1.131 281 G CA 0.913 46.092 45.100 0.131 0.000 0.756 281 G HN 0.362 nan 8.290 nan 0.000 0.572 282 K N 0.378 120.847 120.400 0.115 0.000 2.374 282 K HA 0.213 4.533 4.320 0.001 0.000 0.196 282 K C 0.623 177.298 176.600 0.125 0.000 1.023 282 K CA -0.124 56.225 56.287 0.103 0.000 1.103 282 K CB 0.503 33.047 32.500 0.074 0.000 0.848 282 K HN 0.389 nan 8.250 nan 0.000 0.528 283 E N 1.308 121.607 120.200 0.164 0.000 2.342 283 E HA 0.014 4.364 4.350 0.001 0.000 0.257 283 E C -0.678 176.042 176.600 0.201 0.000 1.150 283 E CA -0.571 55.937 56.400 0.180 0.000 0.926 283 E CB 0.628 30.443 29.700 0.192 0.000 1.074 283 E HN 0.002 nan 8.360 nan 0.000 0.449 284 D N 0.530 121.063 120.400 0.222 0.000 2.506 284 D HA -0.105 4.536 4.640 0.001 0.000 0.234 284 D C 0.448 176.932 176.300 0.307 0.000 1.143 284 D CA 0.206 54.355 54.000 0.248 0.000 0.871 284 D CB 0.621 41.568 40.800 0.244 0.000 1.190 284 D HN 0.348 nan 8.370 nan 0.000 0.459 285 D N 0.586 121.186 120.400 0.332 0.000 2.311 285 D HA -0.209 4.432 4.640 0.001 0.000 0.212 285 D C 1.582 178.123 176.300 0.401 0.000 0.972 285 D CA 1.274 55.523 54.000 0.415 0.000 0.887 285 D CB -0.537 40.532 40.800 0.448 0.000 0.915 285 D HN 0.269 nan 8.370 nan 0.000 0.497 286 S N -0.114 115.791 115.700 0.342 0.000 2.507 286 S HA 0.046 4.517 4.470 0.001 0.000 0.235 286 S C 2.012 176.780 174.600 0.280 0.000 0.988 286 S CA 0.408 58.778 58.200 0.283 0.000 0.944 286 S CB -0.489 62.869 63.200 0.263 0.000 0.762 286 S HN 0.423 nan 8.310 nan 0.000 0.526 287 A N 1.099 124.065 122.820 0.244 0.000 2.216 287 A HA 0.163 4.483 4.320 0.001 0.000 0.214 287 A C 2.093 179.594 177.584 -0.138 0.000 1.160 287 A CA 0.879 52.844 52.037 -0.119 0.000 0.725 287 A CB -0.895 18.004 19.000 -0.169 0.000 0.784 287 A HN 0.549 nan 8.150 nan 0.000 0.472 288 V N -0.176 119.739 119.914 0.002 0.000 2.720 288 V HA -0.205 3.916 4.120 0.001 0.000 0.256 288 V C 1.973 178.014 176.094 -0.088 0.000 1.082 288 V CA 1.937 64.167 62.300 -0.118 0.000 1.101 288 V CB -0.398 31.154 31.823 -0.451 0.000 0.693 288 V HN 0.662 nan 8.190 nan 0.000 0.479 289 I N -0.356 120.211 120.570 -0.005 0.000 2.567 289 I HA -0.224 3.947 4.170 0.001 0.000 0.257 289 I C 2.308 178.476 176.117 0.086 0.000 1.184 289 I CA 1.479 62.862 61.300 0.137 0.000 1.451 289 I CB -0.209 37.847 38.000 0.093 0.000 1.089 289 I HN 0.321 nan 8.210 nan 0.000 0.441 290 K N 0.779 121.073 120.400 -0.176 0.000 2.442 290 K HA -0.105 4.215 4.320 0.001 0.000 0.198 290 K C 1.867 178.403 176.600 -0.106 0.000 1.042 290 K CA 1.360 57.484 56.287 -0.271 0.000 0.958 290 K CB -0.251 31.762 32.500 -0.812 0.000 0.766 290 K HN 0.576 nan 8.250 nan 0.000 0.474 291 I N -1.994 118.496 120.570 -0.132 0.000 2.916 291 I HA -0.043 4.128 4.170 0.001 0.000 0.267 291 I C 0.382 176.313 176.117 -0.311 0.000 1.263 291 I CA 0.409 61.580 61.300 -0.215 0.000 1.471 291 I CB -0.219 37.564 38.000 -0.362 0.000 1.089 291 I HN -0.217 nan 8.210 nan 0.000 0.468 292 F N 0.000 119.925 119.950 -0.041 0.000 2.286 292 F HA 0.000 4.527 4.527 0.001 0.000 0.279 292 F CA 0.000 57.982 58.000 -0.030 0.000 1.383 292 F CB 0.000 38.979 39.000 -0.035 0.000 1.145 292 F HN 0.000 nan 8.300 nan 0.000 0.574