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 2o62_1_B DATA FIRST_RESID 2 DATA SEQUENCE KSQWECFLQN LGVWEGSFSN FSPEGTLLND TSSRLCLEGL NNNQTVRLTL DATA SEQUENCE SRSGKDDVIR EFRSVGGGLL FFENGSFSEG LIQLGPFSEF GGELAFVHEN DATA SEQUENCE RRLRLVQLFD RNGHLNGLTL IREHLAGTPV AERPLLQIND LLGEWRGQAV DATA SEQUENCE TIYRDXRPPD IYSTTLKIQL DDAGRLXQST SFGERTITST ATIKGSIVLF DATA SEQUENCE DQDPEKQVQV LLLPDGASAT SPLKVQLRQP LFLEAGWLIQ SDLRQRXIRS DATA SEQUENCE YNDKGEWVSL TLVTEERV 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.635 176.600 0.059 0.000 0.988 2 K CA 0.000 56.319 56.287 0.054 0.000 0.838 2 K CB 0.000 32.531 32.500 0.052 0.000 1.064 3 S N 1.843 117.583 115.700 0.067 0.000 2.584 3 S HA 0.035 4.505 4.470 -0.000 0.000 0.270 3 S C 0.917 175.569 174.600 0.086 0.000 1.346 3 S CA -0.343 57.908 58.200 0.084 0.000 1.018 3 S CB 1.272 64.539 63.200 0.113 0.000 0.899 3 S HN 0.662 nan 8.310 nan 0.000 0.542 4 Q N 0.491 120.353 119.800 0.103 0.000 2.124 4 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 4 Q C 1.773 177.780 176.000 0.012 0.000 0.977 4 Q CA 1.483 57.340 55.803 0.091 0.000 0.850 4 Q CB -0.302 28.532 28.738 0.159 0.000 0.901 4 Q HN 0.970 nan 8.270 nan 0.000 0.429 5 W N 1.733 122.994 121.300 -0.066 0.000 2.355 5 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 5 W C 1.388 177.866 176.519 -0.068 0.000 1.206 5 W CA 1.185 58.508 57.345 -0.036 0.000 1.284 5 W CB 0.265 29.734 29.460 0.015 0.000 1.145 5 W HN 0.161 nan 8.180 nan 0.000 0.502 6 E N -0.004 120.225 120.200 0.049 0.000 2.150 6 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 6 E C 2.132 178.641 176.600 -0.151 0.000 0.985 6 E CA 1.364 57.724 56.400 -0.065 0.000 0.814 6 E CB -0.816 28.905 29.700 0.035 0.000 0.752 6 E HN 0.307 nan 8.360 nan 0.000 0.466 7 C N 0.914 120.126 119.300 -0.146 0.000 2.413 7 C HA -0.153 4.307 4.460 -0.000 0.000 0.276 7 C C 2.466 177.206 174.990 -0.416 0.000 1.236 7 C CA 0.434 59.350 59.018 -0.171 0.000 1.735 7 C CB -1.291 26.422 27.740 -0.045 0.000 2.031 7 C HN 0.370 nan 8.230 nan 0.000 0.474 8 F N 1.741 121.013 119.950 -1.129 0.000 2.120 8 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 8 F C 2.000 177.389 175.800 -0.686 0.000 1.095 8 F CA 1.433 58.633 58.000 -1.333 0.000 1.249 8 F CB -0.785 37.383 39.000 -1.387 0.000 0.995 8 F HN 0.156 nan 8.300 nan 0.000 0.480 9 L N 0.073 120.870 121.223 -0.709 0.000 2.456 9 L HA -0.160 4.180 4.340 -0.000 0.000 0.224 9 L C 2.296 178.975 176.870 -0.319 0.000 1.148 9 L CA 0.460 54.921 54.840 -0.631 0.000 0.825 9 L CB -0.693 41.069 42.059 -0.496 0.000 0.937 9 L HN 0.177 nan 8.230 nan 0.000 0.450 10 Q N 0.071 119.755 119.800 -0.194 0.000 2.291 10 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 10 Q C 1.374 177.419 176.000 0.075 0.000 0.976 10 Q CA 0.951 56.740 55.803 -0.024 0.000 0.875 10 Q CB -0.243 28.527 28.738 0.054 0.000 0.927 10 Q HN 0.621 nan 8.270 nan 0.000 0.450 11 N N 0.160 118.872 118.700 0.020 0.000 2.398 11 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 11 N C 0.241 175.898 175.510 0.246 0.000 1.122 11 N CA 0.030 53.209 53.050 0.216 0.000 0.866 11 N CB 0.462 39.031 38.487 0.137 0.000 0.970 11 N HN 0.235 nan 8.380 nan 0.000 0.462 12 L N 0.917 122.127 121.223 -0.022 0.000 2.485 12 L HA 0.200 4.540 4.340 -0.000 0.000 0.275 12 L C 1.154 177.989 176.870 -0.057 0.000 1.207 12 L CA 0.285 55.082 54.840 -0.072 0.000 0.855 12 L CB 0.371 42.337 42.059 -0.156 0.000 1.114 12 L HN 0.164 nan 8.230 nan 0.000 0.485 13 G N 1.945 110.673 108.800 -0.121 0.000 0.000 13 G HA2 0.132 4.092 3.960 -0.000 0.000 0.000 13 G HA3 0.132 4.092 3.960 -0.000 0.000 0.000 13 G C -1.748 172.950 174.900 -0.337 0.000 0.000 13 G CA -0.951 43.952 45.100 -0.327 0.000 0.000 13 G HN 0.324 nan 8.290 nan 0.000 0.000 14 V N 0.338 119.998 119.914 -0.423 0.000 2.328 14 V HA 0.538 4.658 4.120 -0.000 0.000 0.278 14 V C -0.780 175.098 176.094 -0.361 0.000 1.021 14 V CA -0.219 61.928 62.300 -0.257 0.000 0.838 14 V CB 0.908 32.641 31.823 -0.150 0.000 0.999 14 V HN 0.561 nan 8.190 nan 0.000 0.447 15 W N 3.498 124.785 121.300 -0.022 0.000 2.291 15 W HA 0.522 5.181 4.660 -0.000 0.000 0.312 15 W C 0.494 176.960 176.519 -0.088 0.000 1.061 15 W CA -0.444 56.871 57.345 -0.049 0.000 1.296 15 W CB 0.855 30.325 29.460 0.017 0.000 1.223 15 W HN 0.504 nan 8.180 nan 0.000 0.421 16 E N 2.019 122.175 120.200 -0.073 0.000 2.266 16 E HA 0.736 5.086 4.350 -0.000 0.000 0.277 16 E C 0.523 177.058 176.600 -0.108 0.000 1.018 16 E CA -0.344 55.969 56.400 -0.146 0.000 0.840 16 E CB 1.884 31.403 29.700 -0.302 0.000 1.082 16 E HN 0.629 nan 8.360 nan 0.000 0.395 17 G N 1.042 109.901 108.800 0.098 0.000 2.498 17 G HA2 0.316 4.275 3.960 -0.000 0.000 0.181 17 G HA3 0.316 4.275 3.960 -0.000 0.000 0.181 17 G C -1.250 173.776 174.900 0.209 0.000 1.169 17 G CA -0.057 45.164 45.100 0.201 0.000 0.992 17 G HN 0.631 nan 8.290 nan 0.000 0.490 18 S N -1.068 114.770 115.700 0.231 0.000 2.550 18 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 18 S C -1.895 172.917 174.600 0.354 0.000 1.145 18 S CA -0.683 57.669 58.200 0.255 0.000 0.852 18 S CB 2.007 65.303 63.200 0.159 0.000 1.119 18 S HN 0.774 nan 8.310 nan 0.000 0.465 19 F N 1.725 121.685 119.950 0.017 0.000 2.411 19 F HA 0.640 5.166 4.527 -0.001 0.000 0.352 19 F C 0.463 176.251 175.800 -0.021 0.000 1.123 19 F CA -0.611 57.392 58.000 0.006 0.000 1.044 19 F CB 1.888 40.889 39.000 0.001 0.000 1.135 19 F HN 0.643 nan 8.300 nan 0.000 0.461 20 S N 3.278 119.040 115.700 0.103 0.000 2.478 20 S HA 0.473 4.943 4.470 -0.000 0.000 0.312 20 S C -0.587 173.934 174.600 -0.133 0.000 1.094 20 S CA -0.977 57.181 58.200 -0.070 0.000 1.081 20 S CB 0.955 64.097 63.200 -0.097 0.000 1.007 20 S HN 0.556 nan 8.310 nan 0.000 0.475 21 N N 1.493 120.036 118.700 -0.262 0.000 2.443 21 N HA 0.677 5.417 4.740 -0.000 0.000 0.295 21 N C -1.347 173.889 175.510 -0.457 0.000 1.076 21 N CA -0.444 52.492 53.050 -0.191 0.000 0.919 21 N CB 0.996 39.436 38.487 -0.079 0.000 1.176 21 N HN 0.390 nan 8.380 nan 0.000 0.487 22 F N -0.206 119.729 119.950 -0.026 0.000 2.603 22 F HA 0.432 4.959 4.527 -0.000 0.000 0.317 22 F C 0.679 176.456 175.800 -0.038 0.000 1.066 22 F CA -1.017 56.966 58.000 -0.029 0.000 0.941 22 F CB 1.563 40.542 39.000 -0.036 0.000 1.291 22 F HN 0.391 nan 8.300 nan 0.000 0.472 23 S N 0.856 116.650 115.700 0.157 0.000 2.600 23 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 23 S C -2.169 172.467 174.600 0.059 0.000 1.325 23 S CA -0.935 57.308 58.200 0.072 0.000 1.002 23 S CB 1.091 64.319 63.200 0.046 0.000 0.921 23 S HN 0.398 nan 8.310 nan 0.000 0.554 24 P HA 0.031 nan 4.420 nan 0.000 0.231 24 P C 0.286 177.583 177.300 -0.006 0.000 1.158 24 P CA 0.833 63.923 63.100 -0.016 0.000 0.763 24 P CB -0.053 31.628 31.700 -0.032 0.000 0.805 25 E N -1.545 118.661 120.200 0.010 0.000 2.479 25 E HA 0.266 4.616 4.350 -0.000 0.000 0.193 25 E C 1.437 178.048 176.600 0.019 0.000 1.049 25 E CA 0.523 56.929 56.400 0.009 0.000 0.870 25 E CB -0.613 29.093 29.700 0.009 0.000 0.944 25 E HN 0.110 nan 8.360 nan 0.000 0.492 26 G N 0.543 109.367 108.800 0.040 0.000 2.141 26 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 26 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 26 G C 0.281 175.287 174.900 0.177 0.000 0.982 26 G CA 0.283 45.403 45.100 0.032 0.000 0.662 26 G HN 0.241 nan 8.290 nan 0.000 0.527 27 T N 1.366 116.041 114.554 0.203 0.000 2.817 27 T HA 0.507 4.856 4.350 -0.000 0.000 0.293 27 T C 0.383 175.228 174.700 0.242 0.000 0.964 27 T CA -0.363 61.855 62.100 0.197 0.000 1.085 27 T CB 1.956 70.876 68.868 0.087 0.000 0.921 27 T HN 0.573 nan 8.240 nan 0.000 0.502 28 L N 4.603 125.924 121.223 0.163 0.000 2.455 28 L HA 0.218 4.557 4.340 -0.000 0.000 0.272 28 L C 0.457 177.203 176.870 -0.207 0.000 1.174 28 L CA 0.368 55.054 54.840 -0.257 0.000 0.869 28 L CB -0.181 41.782 42.059 -0.160 0.000 1.130 28 L HN 0.721 nan 8.230 nan 0.000 0.474 29 L N 3.887 124.931 121.223 -0.299 0.000 2.467 29 L HA 0.338 4.678 4.340 -0.000 0.000 0.213 29 L C 0.223 177.004 176.870 -0.149 0.000 1.053 29 L CA 0.266 55.009 54.840 -0.161 0.000 0.847 29 L CB -0.016 41.968 42.059 -0.124 0.000 1.075 29 L HN 0.913 nan 8.230 nan 0.000 0.479 30 N N -1.792 116.786 118.700 -0.202 0.000 3.043 30 N HA 0.288 5.028 4.740 -0.000 0.000 0.243 30 N C -1.839 173.584 175.510 -0.145 0.000 1.347 30 N CA -0.775 52.195 53.050 -0.134 0.000 0.896 30 N CB 2.162 40.600 38.487 -0.083 0.000 1.501 30 N HN -0.155 nan 8.380 nan 0.000 0.504 31 D N -0.199 120.154 120.400 -0.078 0.000 2.896 31 D HA 0.523 5.163 4.640 -0.000 0.000 0.241 31 D C -1.726 174.575 176.300 0.002 0.000 1.188 31 D CA -0.060 53.918 54.000 -0.037 0.000 0.879 31 D CB 2.404 43.185 40.800 -0.030 0.000 1.553 31 D HN 0.522 nan 8.370 nan 0.000 0.515 32 T N 1.963 116.541 114.554 0.039 0.000 2.881 32 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 32 T C -0.448 174.278 174.700 0.044 0.000 0.990 32 T CA -0.667 61.443 62.100 0.017 0.000 0.976 32 T CB 1.379 70.233 68.868 -0.024 0.000 0.970 32 T HN 0.259 nan 8.240 nan 0.000 0.438 33 S N 2.982 118.702 115.700 0.033 0.000 2.558 33 S HA 0.411 4.881 4.470 -0.000 0.000 0.288 33 S C 0.591 175.207 174.600 0.026 0.000 1.318 33 S CA -0.531 57.702 58.200 0.055 0.000 1.056 33 S CB 0.218 63.443 63.200 0.042 0.000 0.853 33 S HN 0.875 nan 8.310 nan 0.000 0.505 34 S N 2.699 118.447 115.700 0.080 0.000 2.595 34 S HA 0.776 5.245 4.470 -0.000 0.000 0.281 34 S C -0.900 173.756 174.600 0.093 0.000 1.117 34 S CA -1.146 57.086 58.200 0.052 0.000 0.873 34 S CB 1.953 65.232 63.200 0.133 0.000 1.108 34 S HN 0.734 nan 8.310 nan 0.000 0.477 35 R N 0.842 121.387 120.500 0.076 0.000 2.515 35 R HA 0.582 4.922 4.340 -0.000 0.000 0.291 35 R C -2.226 174.146 176.300 0.120 0.000 1.046 35 R CA -0.638 55.516 56.100 0.091 0.000 0.914 35 R CB 1.345 31.673 30.300 0.048 0.000 1.191 35 R HN 0.836 nan 8.270 nan 0.000 0.435 36 L N 5.051 126.387 121.223 0.189 0.000 2.343 36 L HA 0.536 4.876 4.340 -0.000 0.000 0.278 36 L C -1.343 175.664 176.870 0.228 0.000 0.996 36 L CA -0.490 54.484 54.840 0.224 0.000 0.831 36 L CB 1.531 43.766 42.059 0.294 0.000 1.232 36 L HN 0.723 nan 8.230 nan 0.000 0.413 37 C N 5.847 125.243 119.300 0.160 0.000 2.255 37 C HA 0.535 4.995 4.460 -0.000 0.000 0.326 37 C C 0.011 175.085 174.990 0.139 0.000 1.258 37 C CA -0.621 58.465 59.018 0.113 0.000 1.676 37 C CB 0.195 27.975 27.740 0.067 0.000 2.314 37 C HN 0.632 nan 8.230 nan 0.000 0.509 38 L N 5.219 126.522 121.223 0.134 0.000 2.319 38 L HA 0.518 4.858 4.340 -0.000 0.000 0.281 38 L C -0.064 176.812 176.870 0.009 0.000 1.005 38 L CA 0.083 54.981 54.840 0.096 0.000 0.828 38 L CB 1.012 43.126 42.059 0.093 0.000 1.227 38 L HN 0.731 nan 8.230 nan 0.000 0.415 39 E N 2.848 123.054 120.200 0.011 0.000 2.293 39 E HA 0.648 4.998 4.350 -0.000 0.000 0.270 39 E C -0.707 175.890 176.600 -0.005 0.000 0.879 39 E CA -0.983 55.410 56.400 -0.012 0.000 0.756 39 E CB 2.155 31.860 29.700 0.007 0.000 1.208 39 E HN 0.504 nan 8.360 nan 0.000 0.428 40 G N 2.860 111.647 108.800 -0.023 0.000 2.377 40 G HA2 0.546 4.506 3.960 -0.000 0.000 0.299 40 G HA3 0.546 4.506 3.960 -0.000 0.000 0.299 40 G C -0.465 174.462 174.900 0.046 0.000 1.150 40 G CA -0.710 44.399 45.100 0.015 0.000 0.847 40 G HN 0.436 nan 8.290 nan 0.000 0.501 41 L N 0.775 122.049 121.223 0.084 0.000 2.333 41 L HA 0.488 4.828 4.340 -0.000 0.000 0.263 41 L C 0.311 177.228 176.870 0.080 0.000 1.014 41 L CA -1.271 53.611 54.840 0.070 0.000 0.820 41 L CB 1.795 43.895 42.059 0.068 0.000 1.352 41 L HN 0.541 nan 8.230 nan 0.000 0.421 42 N N 2.013 120.747 118.700 0.056 0.000 2.688 42 N HA -0.265 4.475 4.740 -0.000 0.000 0.258 42 N C -0.411 175.133 175.510 0.058 0.000 1.016 42 N CA 1.044 54.123 53.050 0.048 0.000 0.747 42 N CB -1.107 37.406 38.487 0.044 0.000 0.895 42 N HN 0.907 nan 8.380 nan 0.000 0.543 43 N N 0.038 118.770 118.700 0.054 0.000 2.738 43 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 43 N C -0.675 174.894 175.510 0.097 0.000 1.047 43 N CA 0.531 53.616 53.050 0.058 0.000 0.707 43 N CB -0.858 37.656 38.487 0.044 0.000 0.937 43 N HN 0.647 nan 8.380 nan 0.000 0.545 44 N N -1.211 117.561 118.700 0.119 0.000 2.714 44 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 44 N C 0.395 176.131 175.510 0.376 0.000 1.117 44 N CA 1.494 54.667 53.050 0.205 0.000 0.719 44 N CB -0.950 37.635 38.487 0.163 0.000 1.081 44 N HN 0.712 nan 8.380 nan 0.000 0.557 45 Q N -1.144 118.794 119.800 0.231 0.000 2.354 45 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 45 Q C 0.011 176.132 176.000 0.201 0.000 0.933 45 Q CA 0.884 56.767 55.803 0.134 0.000 0.901 45 Q CB 0.499 29.252 28.738 0.024 0.000 1.007 45 Q HN 0.227 nan 8.270 nan 0.000 0.495 46 T N 0.389 115.112 114.554 0.282 0.000 2.861 46 T HA 0.482 4.831 4.350 -0.000 0.000 0.287 46 T C -1.006 173.909 174.700 0.358 0.000 1.003 46 T CA -0.490 61.803 62.100 0.322 0.000 0.977 46 T CB 2.291 71.263 68.868 0.173 0.000 0.996 46 T HN -0.225 nan 8.240 nan 0.000 0.448 47 V N 3.349 123.536 119.914 0.455 0.000 2.495 47 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 47 V C 0.073 176.370 176.094 0.338 0.000 1.031 47 V CA -0.901 61.583 62.300 0.306 0.000 0.871 47 V CB 1.704 33.637 31.823 0.184 0.000 0.988 47 V HN 0.687 nan 8.190 nan 0.000 0.432 48 R N 4.319 124.940 120.500 0.202 0.000 2.338 48 R HA 0.647 4.987 4.340 -0.000 0.000 0.317 48 R C -1.196 175.216 176.300 0.188 0.000 0.968 48 R CA -0.590 55.606 56.100 0.160 0.000 0.849 48 R CB 1.296 31.649 30.300 0.089 0.000 1.128 48 R HN 0.730 nan 8.270 nan 0.000 0.448 49 L N 3.995 125.355 121.223 0.229 0.000 2.287 49 L HA 0.486 4.825 4.340 -0.000 0.000 0.287 49 L C -1.235 175.725 176.870 0.151 0.000 1.022 49 L CA -0.155 54.836 54.840 0.252 0.000 0.814 49 L CB 1.946 44.261 42.059 0.427 0.000 1.217 49 L HN 0.640 nan 8.230 nan 0.000 0.420 50 T N 6.327 120.958 114.554 0.129 0.000 2.833 50 T HA 0.394 4.744 4.350 -0.000 0.000 0.297 50 T C -0.836 173.921 174.700 0.095 0.000 1.015 50 T CA -0.261 61.891 62.100 0.088 0.000 0.963 50 T CB 1.202 70.106 68.868 0.060 0.000 0.955 50 T HN 0.424 nan 8.240 nan 0.000 0.449 51 L N 3.828 125.100 121.223 0.081 0.000 2.276 51 L HA 0.662 5.002 4.340 -0.000 0.000 0.286 51 L C -0.402 176.468 176.870 -0.001 0.000 1.024 51 L CA 0.037 54.915 54.840 0.064 0.000 0.826 51 L CB 1.002 43.109 42.059 0.080 0.000 1.211 51 L HN 0.491 nan 8.230 nan 0.000 0.422 52 S N 5.413 121.107 115.700 -0.011 0.000 2.475 52 S HA 0.753 5.223 4.470 -0.000 0.000 0.298 52 S C -0.474 174.072 174.600 -0.089 0.000 1.119 52 S CA -0.703 57.473 58.200 -0.039 0.000 1.085 52 S CB 1.375 64.568 63.200 -0.012 0.000 1.028 52 S HN 0.595 nan 8.310 nan 0.000 0.489 53 R N 1.004 121.432 120.500 -0.120 0.000 2.621 53 R HA 0.381 4.721 4.340 -0.000 0.000 0.284 53 R C -0.745 175.496 176.300 -0.098 0.000 0.998 53 R CA -0.571 55.433 56.100 -0.160 0.000 0.895 53 R CB 1.787 31.908 30.300 -0.299 0.000 1.195 53 R HN 0.582 nan 8.270 nan 0.000 0.450 54 S N 1.124 116.782 115.700 -0.070 0.000 2.784 54 S HA 0.045 4.515 4.470 -0.000 0.000 0.322 54 S C 1.310 175.881 174.600 -0.048 0.000 1.234 54 S CA 1.637 59.811 58.200 -0.044 0.000 1.064 54 S CB 0.334 63.516 63.200 -0.029 0.000 0.787 54 S HN 0.959 nan 8.310 nan 0.000 0.506 55 G N 3.000 111.778 108.800 -0.037 0.000 2.189 55 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.267 55 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.267 55 G C 0.061 174.937 174.900 -0.040 0.000 0.975 55 G CA 0.441 45.521 45.100 -0.034 0.000 0.644 55 G HN 0.549 nan 8.290 nan 0.000 0.537 56 K N 0.615 120.982 120.400 -0.054 0.000 2.211 56 K HA 0.523 4.843 4.320 -0.000 0.000 0.237 56 K C -0.326 176.246 176.600 -0.047 0.000 1.002 56 K CA -0.946 55.307 56.287 -0.057 0.000 0.885 56 K CB 0.799 33.247 32.500 -0.086 0.000 1.136 56 K HN 0.079 nan 8.250 nan 0.000 0.448 57 D N 1.384 121.761 120.400 -0.039 0.000 2.341 57 D HA 0.073 4.712 4.640 -0.000 0.000 0.245 57 D C -0.377 175.902 176.300 -0.034 0.000 1.106 57 D CA 0.012 53.995 54.000 -0.030 0.000 0.905 57 D CB 0.658 41.445 40.800 -0.022 0.000 1.202 57 D HN 0.205 nan 8.370 nan 0.000 0.426 58 D N 0.134 120.520 120.400 -0.024 0.000 2.449 58 D HA 0.073 4.713 4.640 -0.000 0.000 0.236 58 D C -0.358 175.935 176.300 -0.011 0.000 1.149 58 D CA 0.253 54.242 54.000 -0.018 0.000 0.878 58 D CB 0.798 41.594 40.800 -0.006 0.000 1.198 58 D HN -0.112 nan 8.370 nan 0.000 0.446 59 V N 3.774 123.687 119.914 -0.002 0.000 2.409 59 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 59 V C 0.196 176.305 176.094 0.026 0.000 1.020 59 V CA -0.619 61.688 62.300 0.011 0.000 0.848 59 V CB 1.253 33.089 31.823 0.022 0.000 0.990 59 V HN 0.343 nan 8.190 nan 0.000 0.430 60 I N 6.202 126.780 120.570 0.012 0.000 2.406 60 I HA 0.632 4.802 4.170 -0.000 0.000 0.290 60 I C -0.235 175.864 176.117 -0.030 0.000 0.999 60 I CA -0.604 60.700 61.300 0.007 0.000 1.124 60 I CB 1.571 39.572 38.000 0.001 0.000 1.289 60 I HN 0.412 nan 8.210 nan 0.000 0.441 61 R N 5.061 125.526 120.500 -0.059 0.000 2.744 61 R HA 0.614 4.954 4.340 -0.000 0.000 0.279 61 R C -1.048 175.038 176.300 -0.355 0.000 0.977 61 R CA -0.899 55.058 56.100 -0.238 0.000 0.906 61 R CB 2.364 32.477 30.300 -0.311 0.000 1.197 61 R HN 0.581 nan 8.270 nan 0.000 0.463 62 E N 1.517 121.436 120.200 -0.468 0.000 2.238 62 E HA 0.508 4.858 4.350 -0.000 0.000 0.267 62 E C -1.081 175.208 176.600 -0.519 0.000 0.887 62 E CA -0.601 55.601 56.400 -0.330 0.000 0.769 62 E CB 1.954 31.599 29.700 -0.091 0.000 1.187 62 E HN 0.223 nan 8.360 nan 0.000 0.416 63 F N 0.861 120.944 119.950 0.222 0.000 2.518 63 F HA 0.432 4.958 4.527 -0.000 0.000 0.323 63 F C 1.075 177.099 175.800 0.373 0.000 1.129 63 F CA -0.671 57.501 58.000 0.287 0.000 0.920 63 F CB 1.583 40.814 39.000 0.385 0.000 1.160 63 F HN 0.278 nan 8.300 nan 0.000 0.440 64 R N 0.587 121.312 120.500 0.375 0.000 2.476 64 R HA 0.263 4.603 4.340 -0.000 0.000 0.276 64 R C -0.305 175.954 176.300 -0.068 0.000 0.941 64 R CA 0.131 56.320 56.100 0.147 0.000 1.088 64 R CB 0.849 31.172 30.300 0.040 0.000 1.216 64 R HN 0.708 nan 8.270 nan 0.000 0.533 65 S N -0.804 115.000 115.700 0.173 0.000 2.643 65 S HA 0.557 5.027 4.470 -0.000 0.000 0.270 65 S C -0.657 174.132 174.600 0.315 0.000 1.166 65 S CA -0.873 57.400 58.200 0.122 0.000 0.815 65 S CB 1.892 65.098 63.200 0.011 0.000 1.139 65 S HN -0.054 nan 8.310 nan 0.000 0.472 66 V N -1.839 118.226 119.914 0.252 0.000 2.914 66 V HA 1.069 5.189 4.120 -0.000 0.000 0.314 66 V C 0.403 176.569 176.094 0.120 0.000 1.084 66 V CA 0.291 62.661 62.300 0.116 0.000 0.963 66 V CB 0.792 32.645 31.823 0.051 0.000 1.025 66 V HN 2.147 nan 8.190 nan 0.000 0.432 67 G N 0.512 109.368 108.800 0.093 0.000 2.398 67 G HA2 0.614 4.574 3.960 -0.000 0.000 0.251 67 G HA3 0.614 4.574 3.960 -0.000 0.000 0.251 67 G C 0.384 175.345 174.900 0.100 0.000 1.277 67 G CA 0.317 45.476 45.100 0.099 0.000 0.927 67 G HN 2.410 nan 8.290 nan 0.000 0.477 68 G N -0.389 108.479 108.800 0.113 0.000 2.634 68 G HA2 0.131 4.091 3.960 -0.000 0.000 0.318 68 G HA3 0.131 4.091 3.960 -0.000 0.000 0.318 68 G C 1.597 176.636 174.900 0.230 0.000 1.207 68 G CA 2.047 47.229 45.100 0.138 0.000 0.987 68 G HN 2.301 nan 8.290 nan 0.000 0.547 69 G N -0.267 108.616 108.800 0.138 0.000 2.920 69 G HA2 0.445 4.404 3.960 -0.000 0.000 0.208 69 G HA3 0.445 4.404 3.960 -0.000 0.000 0.208 69 G C 0.382 175.233 174.900 -0.083 0.000 1.159 69 G CA 1.099 46.215 45.100 0.026 0.000 0.784 69 G HN 1.060 nan 8.290 nan 0.000 0.535 70 L N 0.676 121.917 121.223 0.031 0.000 2.307 70 L HA 0.833 5.173 4.340 -0.000 0.000 0.284 70 L C -1.213 175.660 176.870 0.005 0.000 1.023 70 L CA -1.247 53.540 54.840 -0.088 0.000 0.810 70 L CB 1.801 43.745 42.059 -0.190 0.000 1.231 70 L HN -0.069 nan 8.230 nan 0.000 0.423 71 L N 4.847 126.009 121.223 -0.102 0.000 2.445 71 L HA 0.661 5.000 4.340 -0.000 0.000 0.262 71 L C -1.613 175.060 176.870 -0.329 0.000 0.974 71 L CA -0.108 54.688 54.840 -0.072 0.000 0.822 71 L CB 2.067 44.184 42.059 0.097 0.000 1.339 71 L HN 0.485 nan 8.230 nan 0.000 0.409 72 F N 2.909 122.798 119.950 -0.102 0.000 2.522 72 F HA 0.617 5.143 4.527 -0.001 0.000 0.324 72 F C -0.273 175.374 175.800 -0.255 0.000 1.077 72 F CA -0.366 57.607 58.000 -0.044 0.000 0.944 72 F CB 1.623 40.641 39.000 0.031 0.000 1.175 72 F HN 0.213 nan 8.300 nan 0.000 0.468 73 F N 0.796 120.912 119.950 0.277 0.000 2.380 73 F HA 0.284 4.811 4.527 -0.000 0.000 0.319 73 F C 1.683 177.596 175.800 0.188 0.000 1.113 73 F CA -0.433 57.676 58.000 0.182 0.000 1.056 73 F CB 0.532 39.605 39.000 0.122 0.000 1.289 73 F HN 0.555 nan 8.300 nan 0.000 0.515 74 E N 0.552 120.945 120.200 0.322 0.000 2.209 74 E HA -0.231 4.118 4.350 -0.000 0.000 0.196 74 E C 1.310 178.022 176.600 0.187 0.000 0.993 74 E CA 1.380 57.901 56.400 0.202 0.000 0.819 74 E CB -0.281 29.512 29.700 0.155 0.000 0.745 74 E HN 0.529 nan 8.360 nan 0.000 0.477 75 N N -0.527 118.310 118.700 0.229 0.000 2.398 75 N HA -0.007 4.732 4.740 -0.000 0.000 0.188 75 N C 1.154 176.806 175.510 0.236 0.000 1.122 75 N CA 0.991 54.159 53.050 0.197 0.000 0.866 75 N CB 0.743 39.338 38.487 0.180 0.000 0.970 75 N HN 0.169 nan 8.380 nan 0.000 0.462 76 G N -0.886 108.096 108.800 0.303 0.000 2.213 76 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.236 76 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.236 76 G C -0.051 175.187 174.900 0.563 0.000 0.991 76 G CA 0.146 45.477 45.100 0.385 0.000 0.629 76 G HN 0.425 nan 8.290 nan 0.000 0.517 77 S N 0.631 116.591 115.700 0.432 0.000 2.563 77 S HA 0.566 5.036 4.470 -0.000 0.000 0.284 77 S C -0.061 174.794 174.600 0.426 0.000 1.331 77 S CA 0.928 59.311 58.200 0.304 0.000 1.047 77 S CB 0.214 63.536 63.200 0.204 0.000 0.859 77 S HN 1.434 nan 8.310 nan 0.000 0.514 78 F N -0.982 118.958 119.950 -0.016 0.000 2.779 78 F HA 0.794 5.320 4.527 -0.000 0.000 0.316 78 F C -0.680 174.961 175.800 -0.265 0.000 1.164 78 F CA -1.064 56.787 58.000 -0.248 0.000 0.924 78 F CB 1.327 39.865 39.000 -0.770 0.000 1.348 78 F HN 0.416 nan 8.300 nan 0.000 0.467 79 S N 0.127 115.794 115.700 -0.056 0.000 2.548 79 S HA 0.521 4.991 4.470 -0.000 0.000 0.276 79 S C -1.803 172.742 174.600 -0.092 0.000 1.129 79 S CA -0.379 57.746 58.200 -0.125 0.000 0.931 79 S CB 1.626 64.757 63.200 -0.116 0.000 1.068 79 S HN 0.912 nan 8.310 nan 0.000 0.480 80 E N 2.445 122.585 120.200 -0.100 0.000 2.199 80 E HA 0.741 5.090 4.350 -0.000 0.000 0.269 80 E C 0.034 176.485 176.600 -0.249 0.000 0.899 80 E CA -0.459 55.846 56.400 -0.158 0.000 0.772 80 E CB 1.538 31.200 29.700 -0.063 0.000 1.155 80 E HN 0.915 nan 8.360 nan 0.000 0.408 81 G N 2.291 110.895 108.800 -0.327 0.000 2.348 81 G HA2 0.234 4.194 3.960 -0.000 0.000 0.296 81 G HA3 0.234 4.194 3.960 -0.000 0.000 0.296 81 G C -1.597 173.130 174.900 -0.289 0.000 1.258 81 G CA -0.991 43.907 45.100 -0.336 0.000 0.868 81 G HN 0.438 nan 8.290 nan 0.000 0.488 82 L N 0.697 121.801 121.223 -0.200 0.000 2.417 82 L HA 0.441 4.781 4.340 -0.000 0.000 0.268 82 L C 1.603 178.531 176.870 0.098 0.000 1.158 82 L CA -0.185 54.653 54.840 -0.003 0.000 0.819 82 L CB 1.099 43.214 42.059 0.094 0.000 1.112 82 L HN 0.514 nan 8.230 nan 0.000 0.458 83 I N 0.162 120.854 120.570 0.204 0.000 2.716 83 I HA -0.014 4.155 4.170 -0.000 0.000 0.259 83 I C 0.395 176.763 176.117 0.418 0.000 1.172 83 I CA 0.530 62.058 61.300 0.379 0.000 1.478 83 I CB 0.126 38.309 38.000 0.305 0.000 1.104 83 I HN 0.615 nan 8.210 nan 0.000 0.439 84 Q N 1.288 121.291 119.800 0.339 0.000 2.271 84 Q HA 0.444 4.783 4.340 -0.000 0.000 0.268 84 Q C -1.531 174.601 176.000 0.221 0.000 1.021 84 Q CA -0.535 55.443 55.803 0.292 0.000 0.802 84 Q CB 2.079 30.941 28.738 0.206 0.000 1.282 84 Q HN 0.057 nan 8.270 nan 0.000 0.431 85 L N 3.409 124.721 121.223 0.148 0.000 2.282 85 L HA 0.997 5.337 4.340 -0.000 0.000 0.288 85 L C -0.319 176.520 176.870 -0.052 0.000 1.033 85 L CA 0.531 55.349 54.840 -0.037 0.000 0.807 85 L CB 1.057 42.910 42.059 -0.344 0.000 1.209 85 L HN 0.700 nan 8.230 nan 0.000 0.423 86 G N 4.262 113.019 108.800 -0.072 0.000 2.561 86 G HA2 0.405 4.365 3.960 -0.000 0.000 0.310 86 G HA3 0.405 4.365 3.960 -0.000 0.000 0.310 86 G C -2.622 172.130 174.900 -0.246 0.000 1.292 86 G CA -0.157 44.861 45.100 -0.138 0.000 0.811 86 G HN 0.367 nan 8.290 nan 0.000 0.482 87 P HA 0.164 nan 4.420 nan 0.000 0.241 87 P C 0.420 177.388 177.300 -0.553 0.000 1.191 87 P CA 0.536 63.282 63.100 -0.590 0.000 0.771 87 P CB 0.060 31.285 31.700 -0.792 0.000 0.929 88 F N -0.551 119.402 119.950 0.004 0.000 2.727 88 F HA 0.299 4.826 4.527 0.000 0.000 0.302 88 F C 1.140 176.950 175.800 0.017 0.000 1.097 88 F CA -0.128 57.878 58.000 0.011 0.000 1.330 88 F CB 0.047 39.056 39.000 0.014 0.000 1.084 88 F HN -0.157 nan 8.300 nan 0.000 0.578 89 S N -0.286 115.482 115.700 0.113 0.000 2.536 89 S HA 0.340 4.810 4.470 -0.000 0.000 0.271 89 S C -0.735 173.902 174.600 0.063 0.000 1.134 89 S CA -0.755 57.500 58.200 0.092 0.000 0.897 89 S CB 0.988 64.249 63.200 0.102 0.000 1.094 89 S HN 0.145 nan 8.310 nan 0.000 0.473 90 E N 1.899 122.139 120.200 0.067 0.000 2.437 90 E HA 0.137 4.487 4.350 -0.000 0.000 0.263 90 E C -0.619 176.065 176.600 0.140 0.000 1.030 90 E CA 0.255 56.710 56.400 0.092 0.000 0.934 90 E CB 0.393 30.148 29.700 0.090 0.000 0.943 90 E HN 0.460 nan 8.360 nan 0.000 0.444 91 F N 0.721 120.659 119.950 -0.020 0.000 2.370 91 F HA 0.562 5.088 4.527 -0.001 0.000 0.319 91 F C 0.673 176.554 175.800 0.135 0.000 1.129 91 F CA 0.481 58.435 58.000 -0.077 0.000 1.109 91 F CB 1.224 40.023 39.000 -0.336 0.000 1.262 91 F HN 0.416 nan 8.300 nan 0.000 0.534 92 G N 0.465 108.839 108.800 -0.710 0.000 2.355 92 G HA2 0.536 4.495 3.960 -0.000 0.000 0.296 92 G HA3 0.536 4.495 3.960 -0.000 0.000 0.296 92 G C -1.387 173.172 174.900 -0.568 0.000 1.507 92 G CA -0.104 44.793 45.100 -0.339 0.000 0.823 92 G HN 1.282 nan 8.290 nan 0.000 0.569 93 G N -1.086 107.531 108.800 -0.304 0.000 2.466 93 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 93 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 93 G C -1.763 173.028 174.900 -0.181 0.000 1.460 93 G CA -0.056 44.879 45.100 -0.275 0.000 0.791 93 G HN 0.779 nan 8.290 nan 0.000 0.505 94 E N -0.521 119.569 120.200 -0.184 0.000 2.266 94 E HA 0.695 5.044 4.350 -0.000 0.000 0.268 94 E C -1.368 175.070 176.600 -0.269 0.000 0.879 94 E CA -0.788 55.495 56.400 -0.194 0.000 0.762 94 E CB 1.922 31.535 29.700 -0.144 0.000 1.199 94 E HN 0.369 nan 8.360 nan 0.000 0.422 95 L N 3.000 124.020 121.223 -0.338 0.000 2.376 95 L HA 0.719 5.059 4.340 -0.000 0.000 0.275 95 L C -0.954 175.515 176.870 -0.669 0.000 0.987 95 L CA -0.674 53.888 54.840 -0.463 0.000 0.828 95 L CB 1.996 43.850 42.059 -0.340 0.000 1.249 95 L HN 0.609 nan 8.230 nan 0.000 0.409 96 A N 3.531 125.779 122.820 -0.953 0.000 2.357 96 A HA 0.816 5.136 4.320 -0.000 0.000 0.295 96 A C -1.128 175.963 177.584 -0.821 0.000 1.121 96 A CA -0.330 51.112 52.037 -0.991 0.000 0.742 96 A CB 0.504 18.512 19.000 -1.653 0.000 1.181 96 A HN 0.464 nan 8.150 nan 0.000 0.454 97 F N 1.588 121.342 119.950 -0.328 0.000 2.399 97 F HA 0.571 5.098 4.527 -0.000 0.000 0.334 97 F C 0.340 176.128 175.800 -0.020 0.000 1.097 97 F CA -0.613 57.331 58.000 -0.093 0.000 1.076 97 F CB 1.872 40.931 39.000 0.099 0.000 1.162 97 F HN 0.253 nan 8.300 nan 0.000 0.495 98 V N 1.931 122.043 119.914 0.329 0.000 2.495 98 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 98 V C -1.268 175.100 176.094 0.458 0.000 1.031 98 V CA -0.695 61.788 62.300 0.305 0.000 0.871 98 V CB 1.645 33.608 31.823 0.233 0.000 0.988 98 V HN 0.800 nan 8.190 nan 0.000 0.432 99 H N 2.906 122.199 119.070 0.372 0.000 3.096 99 H HA 0.470 5.025 4.556 -0.000 0.000 0.335 99 H C 0.184 175.643 175.328 0.218 0.000 0.990 99 H CA 0.159 56.348 56.048 0.234 0.000 1.393 99 H CB 1.096 30.908 29.762 0.082 0.000 1.742 99 H HN 0.864 nan 8.280 nan 0.000 0.501 100 E N 1.695 121.763 120.200 -0.221 0.000 3.287 100 E HA -0.387 3.963 4.350 -0.000 0.000 0.405 100 E C 0.413 177.103 176.600 0.151 0.000 1.541 100 E CA 1.687 58.028 56.400 -0.097 0.000 1.405 100 E CB -0.823 28.767 29.700 -0.184 0.000 1.576 100 E HN 0.841 nan 8.360 nan 0.000 0.474 101 N N 2.223 121.040 118.700 0.194 0.000 2.322 101 N HA -0.005 4.735 4.740 -0.000 0.000 0.194 101 N C -0.068 175.754 175.510 0.520 0.000 1.126 101 N CA 0.559 53.769 53.050 0.265 0.000 0.845 101 N CB 0.335 38.928 38.487 0.178 0.000 0.976 101 N HN 0.100 nan 8.380 nan 0.000 0.475 102 R N 0.501 121.338 120.500 0.562 0.000 2.807 102 R HA 0.514 4.853 4.340 -0.000 0.000 0.276 102 R C -0.308 176.206 176.300 0.357 0.000 0.979 102 R CA -0.569 55.871 56.100 0.568 0.000 0.928 102 R CB 2.262 32.917 30.300 0.592 0.000 1.191 102 R HN 0.125 nan 8.270 nan 0.000 0.471 103 R N 1.033 121.558 120.500 0.042 0.000 2.807 103 R HA 0.575 4.915 4.340 -0.000 0.000 0.276 103 R C -1.121 174.964 176.300 -0.359 0.000 0.979 103 R CA -1.168 54.792 56.100 -0.235 0.000 0.928 103 R CB 2.026 31.956 30.300 -0.617 0.000 1.191 103 R HN 0.283 nan 8.270 nan 0.000 0.471 104 L N 1.848 122.724 121.223 -0.577 0.000 2.441 104 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 104 L C -1.229 175.375 176.870 -0.444 0.000 0.973 104 L CA -0.246 54.158 54.840 -0.726 0.000 0.842 104 L CB 1.423 42.514 42.059 -1.614 0.000 1.239 104 L HN 0.523 nan 8.230 nan 0.000 0.406 105 R N 4.883 125.150 120.500 -0.388 0.000 2.561 105 R HA 0.682 5.021 4.340 -0.000 0.000 0.297 105 R C -1.634 174.483 176.300 -0.305 0.000 0.969 105 R CA -0.989 54.887 56.100 -0.374 0.000 0.879 105 R CB 2.420 32.486 30.300 -0.390 0.000 1.178 105 R HN 0.497 nan 8.270 nan 0.000 0.445 106 L N 3.010 124.071 121.223 -0.269 0.000 2.333 106 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 106 L C -1.192 175.568 176.870 -0.183 0.000 1.004 106 L CA -0.651 54.072 54.840 -0.195 0.000 0.820 106 L CB 2.098 44.072 42.059 -0.142 0.000 1.247 106 L HN 0.378 nan 8.230 nan 0.000 0.416 107 V N 4.976 124.802 119.914 -0.148 0.000 2.448 107 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 107 V C -0.528 175.501 176.094 -0.109 0.000 1.025 107 V CA -0.584 61.642 62.300 -0.124 0.000 0.859 107 V CB 1.527 33.288 31.823 -0.104 0.000 0.988 107 V HN 0.756 nan 8.190 nan 0.000 0.431 108 Q N 5.194 124.928 119.800 -0.110 0.000 2.331 108 Q HA 0.711 5.050 4.340 -0.000 0.000 0.267 108 Q C -1.365 174.523 176.000 -0.188 0.000 1.006 108 Q CA -0.537 55.168 55.803 -0.163 0.000 0.818 108 Q CB 2.787 31.489 28.738 -0.060 0.000 1.276 108 Q HN 0.606 nan 8.270 nan 0.000 0.450 109 L N 2.439 123.462 121.223 -0.333 0.000 2.346 109 L HA 0.648 4.988 4.340 -0.000 0.000 0.274 109 L C -0.883 175.681 176.870 -0.509 0.000 1.007 109 L CA -0.790 53.908 54.840 -0.237 0.000 0.818 109 L CB 0.984 42.969 42.059 -0.123 0.000 1.284 109 L HN 0.503 nan 8.230 nan 0.000 0.424 110 F N -0.341 119.611 119.950 0.004 0.000 2.579 110 F HA 0.407 4.933 4.527 -0.000 0.000 0.324 110 F C 0.234 176.048 175.800 0.024 0.000 1.058 110 F CA -0.916 57.108 58.000 0.039 0.000 0.944 110 F CB 1.451 40.504 39.000 0.088 0.000 1.245 110 F HN 0.506 nan 8.300 nan 0.000 0.477 111 D N 0.032 120.540 120.400 0.179 0.000 2.511 111 D HA 0.265 4.905 4.640 -0.000 0.000 0.276 111 D C 0.936 177.274 176.300 0.063 0.000 1.220 111 D CA -0.486 53.572 54.000 0.096 0.000 1.077 111 D CB 0.580 41.426 40.800 0.077 0.000 1.126 111 D HN 0.244 nan 8.370 nan 0.000 0.583 112 R N -0.542 119.974 120.500 0.026 0.000 2.189 112 R HA -0.021 4.319 4.340 -0.000 0.000 0.223 112 R C 0.885 177.150 176.300 -0.058 0.000 1.092 112 R CA 0.743 56.838 56.100 -0.008 0.000 0.989 112 R CB -0.886 29.412 30.300 -0.004 0.000 0.876 112 R HN 0.587 nan 8.270 nan 0.000 0.457 113 N N -0.574 118.072 118.700 -0.090 0.000 2.336 113 N HA 0.063 4.803 4.740 -0.000 0.000 0.189 113 N C 0.643 175.911 175.510 -0.404 0.000 1.113 113 N CA 0.470 53.383 53.050 -0.228 0.000 0.858 113 N CB 0.808 39.158 38.487 -0.229 0.000 0.970 113 N HN 0.276 nan 8.380 nan 0.000 0.471 114 G N 0.665 109.336 108.800 -0.215 0.000 2.132 114 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.234 114 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.234 114 G C -0.463 174.439 174.900 0.003 0.000 0.989 114 G CA -0.220 44.787 45.100 -0.155 0.000 0.676 114 G HN 0.515 nan 8.290 nan 0.000 0.522 115 H N -1.080 118.108 119.070 0.197 0.000 2.467 115 H HA 0.537 5.093 4.556 -0.000 0.000 0.331 115 H C 0.391 175.824 175.328 0.175 0.000 1.120 115 H CA -1.131 55.034 56.048 0.195 0.000 1.270 115 H CB 1.768 31.577 29.762 0.080 0.000 1.466 115 H HN 0.191 nan 8.280 nan 0.000 0.504 116 L N 3.470 124.804 121.223 0.185 0.000 2.559 116 L HA -0.048 4.292 4.340 -0.000 0.000 0.274 116 L C 0.666 177.441 176.870 -0.158 0.000 1.205 116 L CA 0.196 54.841 54.840 -0.325 0.000 0.907 116 L CB 0.119 42.015 42.059 -0.272 0.000 1.153 116 L HN 0.807 nan 8.230 nan 0.000 0.490 117 N N 2.529 121.106 118.700 -0.206 0.000 2.143 117 N HA 0.275 5.015 4.740 -0.000 0.000 0.229 117 N C -0.202 175.248 175.510 -0.100 0.000 1.294 117 N CA 0.326 53.319 53.050 -0.094 0.000 0.883 117 N CB 0.959 39.430 38.487 -0.027 0.000 1.148 117 N HN 0.554 nan 8.380 nan 0.000 0.511 118 G N 0.518 109.221 108.800 -0.162 0.000 2.734 118 G HA2 0.544 4.504 3.960 -0.000 0.000 0.293 118 G HA3 0.544 4.504 3.960 -0.000 0.000 0.293 118 G C -2.447 172.376 174.900 -0.129 0.000 1.422 118 G CA -0.524 44.511 45.100 -0.108 0.000 1.177 118 G HN 0.166 nan 8.290 nan 0.000 0.565 119 L N 1.659 122.858 121.223 -0.041 0.000 2.482 119 L HA 0.796 5.135 4.340 -0.000 0.000 0.269 119 L C -0.598 176.329 176.870 0.096 0.000 0.967 119 L CA -0.224 54.611 54.840 -0.009 0.000 0.851 119 L CB 2.302 44.365 42.059 0.006 0.000 1.242 119 L HN 0.474 nan 8.230 nan 0.000 0.404 120 T N 5.505 120.086 114.554 0.044 0.000 2.841 120 T HA 0.589 4.939 4.350 -0.000 0.000 0.285 120 T C -1.210 173.495 174.700 0.008 0.000 0.991 120 T CA -0.294 61.844 62.100 0.063 0.000 0.966 120 T CB 1.515 70.386 68.868 0.004 0.000 0.962 120 T HN 0.444 nan 8.240 nan 0.000 0.438 121 L N 4.660 125.943 121.223 0.100 0.000 2.287 121 L HA 0.646 4.986 4.340 -0.000 0.000 0.287 121 L C -1.155 175.646 176.870 -0.115 0.000 1.022 121 L CA -0.544 54.287 54.840 -0.015 0.000 0.814 121 L CB 0.578 42.704 42.059 0.111 0.000 1.217 121 L HN 0.619 nan 8.230 nan 0.000 0.420 122 I N 5.493 125.891 120.570 -0.286 0.000 2.330 122 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 122 I C -0.084 175.884 176.117 -0.248 0.000 1.001 122 I CA -0.400 60.659 61.300 -0.402 0.000 1.193 122 I CB 0.883 38.455 38.000 -0.713 0.000 1.345 122 I HN 0.460 nan 8.210 nan 0.000 0.461 123 R N 6.039 126.473 120.500 -0.109 0.000 2.337 123 R HA 0.558 4.898 4.340 -0.000 0.000 0.319 123 R C -0.902 175.445 176.300 0.077 0.000 0.954 123 R CA -0.601 55.477 56.100 -0.036 0.000 0.840 123 R CB 1.676 31.996 30.300 0.033 0.000 1.164 123 R HN 0.588 nan 8.270 nan 0.000 0.472 124 E N 2.322 122.575 120.200 0.088 0.000 2.317 124 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 124 E C -1.071 175.777 176.600 0.413 0.000 0.885 124 E CA -0.945 55.583 56.400 0.213 0.000 0.760 124 E CB 2.160 31.935 29.700 0.125 0.000 1.227 124 E HN 0.565 nan 8.360 nan 0.000 0.434 125 H N 1.256 120.575 119.070 0.414 0.000 2.806 125 H HA 0.377 4.932 4.556 -0.000 0.000 0.367 125 H C -0.760 174.744 175.328 0.294 0.000 1.136 125 H CA -0.973 55.314 56.048 0.398 0.000 1.178 125 H CB 0.580 30.480 29.762 0.231 0.000 1.718 125 H HN 0.391 nan 8.280 nan 0.000 0.540 126 L N 2.030 123.291 121.223 0.062 0.000 2.525 126 L HA 0.168 4.508 4.340 -0.000 0.000 0.278 126 L C 1.098 177.879 176.870 -0.149 0.000 1.218 126 L CA -0.134 54.491 54.840 -0.358 0.000 0.878 126 L CB 0.376 42.179 42.059 -0.426 0.000 1.127 126 L HN 0.826 nan 8.230 nan 0.000 0.492 127 A N 2.984 125.677 122.820 -0.211 0.000 2.565 127 A HA 0.338 4.658 4.320 -0.000 0.000 0.237 127 A C 1.318 178.889 177.584 -0.021 0.000 1.053 127 A CA 0.557 52.539 52.037 -0.090 0.000 0.755 127 A CB -0.220 18.719 19.000 -0.102 0.000 0.980 127 A HN 1.203 nan 8.150 nan 0.000 0.506 128 G N 1.366 110.195 108.800 0.048 0.000 2.168 128 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.263 128 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.263 128 G C 0.547 175.484 174.900 0.061 0.000 0.977 128 G CA 1.490 46.616 45.100 0.044 0.000 0.659 128 G HN 2.336 nan 8.290 nan 0.000 0.533 129 T N -2.019 112.607 114.554 0.120 0.000 2.949 129 T HA 0.749 5.099 4.350 -0.000 0.000 0.287 129 T C -2.812 171.963 174.700 0.125 0.000 1.034 129 T CA -1.739 60.429 62.100 0.114 0.000 1.018 129 T CB 2.906 71.837 68.868 0.105 0.000 1.135 129 T HN 0.014 nan 8.240 nan 0.000 0.532 130 P HA 0.245 nan 4.420 nan 0.000 0.271 130 P C 1.070 178.272 177.300 -0.164 0.000 1.218 130 P CA -0.549 62.528 63.100 -0.039 0.000 0.780 130 P CB 0.512 32.213 31.700 0.001 0.000 0.901 131 V N 2.240 121.954 119.914 -0.334 0.000 2.295 131 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 131 V C 1.399 177.445 176.094 -0.079 0.000 1.049 131 V CA 2.014 64.047 62.300 -0.446 0.000 1.024 131 V CB -1.736 29.908 31.823 -0.299 0.000 0.648 131 V HN 0.892 nan 8.190 nan 0.000 0.447 132 A N 0.400 123.209 122.820 -0.018 0.000 2.687 132 A HA -0.287 4.033 4.320 -0.000 0.000 0.299 132 A C 0.460 178.106 177.584 0.102 0.000 1.497 132 A CA 1.040 53.110 52.037 0.056 0.000 0.751 132 A CB -1.913 17.145 19.000 0.096 0.000 1.048 132 A HN 0.701 nan 8.150 nan 0.000 0.464 133 E N -0.417 119.830 120.200 0.078 0.000 2.376 133 E HA 0.309 4.659 4.350 -0.000 0.000 0.266 133 E C 0.554 177.217 176.600 0.105 0.000 1.009 133 E CA -0.447 56.017 56.400 0.107 0.000 0.902 133 E CB 0.356 30.103 29.700 0.078 0.000 0.972 133 E HN 0.502 nan 8.360 nan 0.000 0.439 134 R N 3.998 124.586 120.500 0.146 0.000 2.528 134 R HA 0.318 4.658 4.340 -0.000 0.000 0.271 134 R C -2.096 174.257 176.300 0.088 0.000 1.056 134 R CA -1.654 54.514 56.100 0.112 0.000 1.117 134 R CB 0.151 30.546 30.300 0.157 0.000 1.085 134 R HN 0.462 nan 8.270 nan 0.000 0.530 135 P HA 0.016 nan 4.420 nan 0.000 0.274 135 P C -0.554 176.778 177.300 0.053 0.000 1.237 135 P CA -0.580 62.550 63.100 0.050 0.000 0.793 135 P CB 0.539 32.260 31.700 0.036 0.000 0.977 136 L N 1.971 123.222 121.223 0.047 0.000 2.615 136 L HA -0.033 4.307 4.340 -0.000 0.000 0.284 136 L C -0.004 176.884 176.870 0.029 0.000 1.237 136 L CA 0.087 54.950 54.840 0.038 0.000 0.905 136 L CB -0.704 41.379 42.059 0.039 0.000 1.149 136 L HN 0.215 nan 8.230 nan 0.000 0.499 137 L N 5.618 126.851 121.223 0.017 0.000 2.416 137 L HA 0.296 4.635 4.340 -0.000 0.000 0.272 137 L C -0.284 176.595 176.870 0.014 0.000 1.161 137 L CA 0.626 55.474 54.840 0.015 0.000 0.845 137 L CB 0.440 42.498 42.059 -0.000 0.000 1.119 137 L HN 0.675 nan 8.230 nan 0.000 0.464 138 Q N 4.447 124.261 119.800 0.023 0.000 2.394 138 Q HA 0.297 4.637 4.340 -0.000 0.000 0.273 138 Q C 0.846 176.866 176.000 0.035 0.000 1.089 138 Q CA -0.851 54.967 55.803 0.025 0.000 0.812 138 Q CB 2.111 30.865 28.738 0.027 0.000 1.353 138 Q HN 0.586 nan 8.270 nan 0.000 0.438 139 I N 1.254 121.843 120.570 0.030 0.000 2.194 139 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 139 I C 1.376 177.530 176.117 0.061 0.000 1.093 139 I CA 1.457 62.782 61.300 0.041 0.000 1.355 139 I CB -0.621 37.395 38.000 0.026 0.000 1.046 139 I HN 0.581 nan 8.210 nan 0.000 0.413 140 N N 1.032 119.762 118.700 0.050 0.000 2.364 140 N HA -0.162 4.577 4.740 -0.000 0.000 0.183 140 N C 1.318 176.874 175.510 0.078 0.000 1.022 140 N CA 0.951 54.034 53.050 0.055 0.000 0.883 140 N CB -0.359 38.148 38.487 0.034 0.000 0.965 140 N HN 0.405 nan 8.380 nan 0.000 0.438 141 D N 0.265 120.718 120.400 0.088 0.000 2.219 141 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 141 D C 1.760 178.209 176.300 0.248 0.000 0.970 141 D CA 0.551 54.628 54.000 0.128 0.000 0.851 141 D CB 0.203 41.062 40.800 0.098 0.000 0.943 141 D HN 0.324 nan 8.370 nan 0.000 0.488 142 L N 0.026 121.385 121.223 0.226 0.000 2.513 142 L HA 0.161 4.501 4.340 -0.000 0.000 0.222 142 L C 0.761 177.887 176.870 0.427 0.000 1.096 142 L CA -0.072 54.970 54.840 0.337 0.000 0.857 142 L CB 0.215 42.355 42.059 0.134 0.000 1.026 142 L HN -0.143 nan 8.230 nan 0.000 0.469 143 L N 0.875 122.243 121.223 0.241 0.000 2.455 143 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 143 L C 0.742 177.691 176.870 0.133 0.000 1.174 143 L CA 0.403 55.349 54.840 0.177 0.000 0.869 143 L CB 0.074 42.187 42.059 0.090 0.000 1.130 143 L HN 0.218 nan 8.230 nan 0.000 0.474 144 G N 2.821 111.689 108.800 0.113 0.000 2.325 144 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.285 144 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.285 144 G C -1.636 173.258 174.900 -0.010 0.000 1.303 144 G CA -0.752 44.324 45.100 -0.040 0.000 0.970 144 G HN 0.622 nan 8.290 nan 0.000 0.490 145 E N -0.617 119.491 120.200 -0.152 0.000 2.151 145 E HA 0.587 4.937 4.350 -0.000 0.000 0.275 145 E C -1.405 175.083 176.600 -0.186 0.000 0.936 145 E CA -0.918 55.454 56.400 -0.047 0.000 0.777 145 E CB 1.064 30.745 29.700 -0.031 0.000 1.108 145 E HN 0.448 nan 8.360 nan 0.000 0.401 146 W N 4.078 125.384 121.300 0.011 0.000 2.471 146 W HA 0.434 5.093 4.660 -0.000 0.000 0.318 146 W C -0.202 176.316 176.519 -0.001 0.000 1.034 146 W CA -0.739 56.605 57.345 -0.000 0.000 1.224 146 W CB 1.394 30.856 29.460 0.004 0.000 1.335 146 W HN 0.285 nan 8.180 nan 0.000 0.452 147 R N 2.448 123.043 120.500 0.159 0.000 2.393 147 R HA 0.821 5.161 4.340 -0.000 0.000 0.310 147 R C 0.296 176.638 176.300 0.070 0.000 0.968 147 R CA -0.608 55.544 56.100 0.088 0.000 0.867 147 R CB 1.666 31.986 30.300 0.033 0.000 1.124 147 R HN 0.706 nan 8.270 nan 0.000 0.450 148 G N 0.824 109.638 108.800 0.023 0.000 2.782 148 G HA2 0.296 4.256 3.960 -0.000 0.000 0.304 148 G HA3 0.296 4.256 3.960 -0.000 0.000 0.304 148 G C -1.818 173.017 174.900 -0.108 0.000 1.315 148 G CA -0.409 44.672 45.100 -0.031 0.000 0.791 148 G HN 0.420 nan 8.290 nan 0.000 0.519 149 Q N -0.759 118.938 119.800 -0.172 0.000 2.331 149 Q HA 0.653 4.993 4.340 -0.000 0.000 0.272 149 Q C -1.174 174.591 176.000 -0.392 0.000 1.062 149 Q CA -0.893 54.755 55.803 -0.258 0.000 0.806 149 Q CB 2.169 30.809 28.738 -0.164 0.000 1.312 149 Q HN 0.966 nan 8.270 nan 0.000 0.431 150 A N 2.739 125.145 122.820 -0.691 0.000 2.340 150 A HA 0.738 5.058 4.320 -0.000 0.000 0.331 150 A C -1.127 176.080 177.584 -0.629 0.000 1.140 150 A CA -0.551 51.022 52.037 -0.774 0.000 0.801 150 A CB 1.682 19.959 19.000 -1.205 0.000 1.234 150 A HN 0.477 nan 8.150 nan 0.000 0.469 151 V N 2.008 121.734 119.914 -0.314 0.000 2.357 151 V HA 0.470 4.590 4.120 -0.000 0.000 0.284 151 V C -0.055 176.075 176.094 0.061 0.000 1.018 151 V CA -0.321 61.933 62.300 -0.078 0.000 0.841 151 V CB 1.364 33.230 31.823 0.072 0.000 0.991 151 V HN 0.901 nan 8.190 nan 0.000 0.437 152 T N 6.570 121.174 114.554 0.085 0.000 2.758 152 T HA 0.660 5.009 4.350 -0.000 0.000 0.285 152 T C -0.190 174.360 174.700 -0.249 0.000 0.981 152 T CA -0.104 61.976 62.100 -0.032 0.000 0.965 152 T CB 0.892 69.719 68.868 -0.069 0.000 0.927 152 T HN 0.385 nan 8.240 nan 0.000 0.448 153 I N 3.393 123.802 120.570 -0.269 0.000 2.377 153 I HA 0.438 4.608 4.170 -0.000 0.000 0.293 153 I C -0.659 175.158 176.117 -0.500 0.000 0.987 153 I CA -0.901 60.209 61.300 -0.316 0.000 1.185 153 I CB 0.991 38.831 38.000 -0.266 0.000 1.341 153 I HN 0.558 nan 8.210 nan 0.000 0.455 154 Y N 4.138 124.361 120.300 -0.129 0.000 2.568 154 Y HA 0.512 5.061 4.550 -0.001 0.000 0.327 154 Y C 0.917 176.649 175.900 -0.280 0.000 1.163 154 Y CA -0.817 57.167 58.100 -0.193 0.000 1.219 154 Y CB 1.077 39.465 38.460 -0.120 0.000 1.308 154 Y HN 0.353 nan 8.280 nan 0.000 0.503 155 R N 0.413 120.829 120.500 -0.141 0.000 2.577 155 R HA 0.170 4.510 4.340 -0.000 0.000 0.344 155 R C -0.973 175.252 176.300 -0.124 0.000 1.037 155 R CA -0.112 55.839 56.100 -0.249 0.000 1.102 155 R CB 0.142 30.149 30.300 -0.489 0.000 1.313 155 R HN 0.727 nan 8.270 nan 0.000 0.561 159 P HA 0.306 nan 4.420 nan 0.000 0.276 159 P C -2.573 174.857 177.300 0.216 0.000 1.261 159 P CA -1.551 61.610 63.100 0.102 0.000 0.800 159 P CB -0.084 31.652 31.700 0.060 0.000 1.066 160 P HA 0.169 nan 4.420 nan 0.000 0.269 160 P C -0.675 176.754 177.300 0.214 0.000 1.215 160 P CA 0.492 63.699 63.100 0.178 0.000 0.780 160 P CB 0.199 31.954 31.700 0.092 0.000 0.898 161 D N 1.235 121.788 120.400 0.254 0.000 2.505 161 D HA 0.514 5.154 4.640 -0.000 0.000 0.249 161 D C -0.912 175.568 176.300 0.299 0.000 1.082 161 D CA -0.269 53.914 54.000 0.304 0.000 0.839 161 D CB 0.688 41.729 40.800 0.402 0.000 1.317 161 D HN 0.123 nan 8.370 nan 0.000 0.497 162 I N 4.271 124.989 120.570 0.247 0.000 2.436 162 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 162 I C -1.070 175.151 176.117 0.174 0.000 1.010 162 I CA -0.958 60.401 61.300 0.098 0.000 1.098 162 I CB 1.224 39.245 38.000 0.036 0.000 1.266 162 I HN 0.344 nan 8.210 nan 0.000 0.434 163 Y N 2.076 122.349 120.300 -0.046 0.000 2.641 163 Y HA 0.566 5.116 4.550 -0.000 0.000 0.333 163 Y C -0.902 174.941 175.900 -0.095 0.000 1.174 163 Y CA -1.275 56.793 58.100 -0.053 0.000 1.057 163 Y CB 0.484 38.920 38.460 -0.039 0.000 1.322 163 Y HN 0.343 nan 8.280 nan 0.000 0.457 164 S N 1.351 117.081 115.700 0.050 0.000 2.580 164 S HA 0.638 5.108 4.470 -0.000 0.000 0.274 164 S C -0.198 174.406 174.600 0.006 0.000 1.329 164 S CA 0.003 58.190 58.200 -0.021 0.000 1.036 164 S CB 0.792 64.011 63.200 0.030 0.000 0.919 164 S HN 0.851 nan 8.310 nan 0.000 0.515 165 T N -0.658 113.858 114.554 -0.063 0.000 2.906 165 T HA 0.746 5.096 4.350 -0.000 0.000 0.295 165 T C -0.820 173.918 174.700 0.063 0.000 1.061 165 T CA -0.770 61.314 62.100 -0.027 0.000 1.000 165 T CB 1.718 70.450 68.868 -0.228 0.000 1.103 165 T HN 0.381 nan 8.240 nan 0.000 0.486 166 T N 2.230 116.867 114.554 0.139 0.000 2.971 166 T HA 0.621 4.971 4.350 -0.000 0.000 0.304 166 T C -1.637 173.175 174.700 0.187 0.000 1.038 166 T CA -0.615 61.574 62.100 0.147 0.000 1.007 166 T CB 1.390 70.328 68.868 0.118 0.000 1.055 166 T HN 0.758 nan 8.240 nan 0.000 0.451 167 L N 3.620 124.970 121.223 0.213 0.000 2.404 167 L HA 0.613 4.952 4.340 -0.000 0.000 0.272 167 L C -1.168 175.860 176.870 0.262 0.000 0.980 167 L CA -0.386 54.580 54.840 0.209 0.000 0.836 167 L CB 1.186 43.346 42.059 0.168 0.000 1.238 167 L HN 0.462 nan 8.230 nan 0.000 0.408 168 K N 6.901 127.419 120.400 0.196 0.000 2.307 168 K HA 0.643 4.963 4.320 -0.000 0.000 0.263 168 K C -1.219 175.489 176.600 0.181 0.000 0.973 168 K CA -0.477 55.922 56.287 0.188 0.000 0.846 168 K CB 1.982 34.555 32.500 0.121 0.000 1.100 168 K HN 0.537 nan 8.250 nan 0.000 0.438 169 I N 2.401 123.098 120.570 0.212 0.000 2.436 169 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 169 I C -0.547 175.653 176.117 0.138 0.000 1.010 169 I CA -0.707 60.702 61.300 0.182 0.000 1.098 169 I CB 1.941 40.071 38.000 0.217 0.000 1.266 169 I HN 0.570 nan 8.210 nan 0.000 0.434 170 Q N 5.702 125.562 119.800 0.100 0.000 2.435 170 Q HA 0.559 4.899 4.340 -0.000 0.000 0.282 170 Q C -1.967 174.062 176.000 0.049 0.000 1.020 170 Q CA -0.755 55.089 55.803 0.068 0.000 0.820 170 Q CB 2.898 31.670 28.738 0.057 0.000 1.436 170 Q HN 0.602 nan 8.270 nan 0.000 0.395 171 L N 3.146 124.389 121.223 0.033 0.000 2.326 171 L HA 0.319 4.659 4.340 -0.000 0.000 0.278 171 L C 0.222 177.101 176.870 0.014 0.000 1.092 171 L CA -0.697 54.153 54.840 0.017 0.000 0.810 171 L CB 0.685 42.751 42.059 0.011 0.000 1.153 171 L HN 0.767 nan 8.230 nan 0.000 0.439 172 D N 0.870 121.275 120.400 0.008 0.000 2.447 172 D HA -0.046 4.594 4.640 -0.000 0.000 0.265 172 D C 0.769 177.071 176.300 0.003 0.000 1.250 172 D CA -0.440 53.565 54.000 0.007 0.000 1.046 172 D CB 0.413 41.216 40.800 0.006 0.000 1.095 172 D HN 0.642 nan 8.370 nan 0.000 0.555 173 D N -0.880 119.522 120.400 0.003 0.000 2.218 173 D HA -0.182 4.458 4.640 -0.000 0.000 0.204 173 D C 1.302 177.601 176.300 -0.001 0.000 0.976 173 D CA 1.231 55.232 54.000 0.001 0.000 0.853 173 D CB -0.284 40.517 40.800 0.002 0.000 0.939 173 D HN 0.423 nan 8.370 nan 0.000 0.481 174 A N -0.021 122.796 122.820 -0.004 0.000 2.275 174 A HA 0.500 4.820 4.320 -0.000 0.000 0.212 174 A C 1.836 179.413 177.584 -0.011 0.000 1.201 174 A CA 0.655 52.687 52.037 -0.007 0.000 0.843 174 A CB -0.195 18.800 19.000 -0.008 0.000 0.873 174 A HN 0.437 nan 8.150 nan 0.000 0.492 175 G N -0.479 108.315 108.800 -0.010 0.000 2.148 175 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.254 175 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.254 175 G C 0.322 175.206 174.900 -0.026 0.000 0.981 175 G CA 0.335 45.427 45.100 -0.014 0.000 0.670 175 G HN 0.604 nan 8.290 nan 0.000 0.528 176 R N -0.820 119.663 120.500 -0.029 0.000 2.531 176 R HA 0.613 4.952 4.340 -0.000 0.000 0.273 176 R C 0.593 176.865 176.300 -0.047 0.000 1.070 176 R CA -0.659 55.412 56.100 -0.049 0.000 1.112 176 R CB 0.831 31.106 30.300 -0.043 0.000 1.049 176 R HN 0.214 nan 8.270 nan 0.000 0.508 180 S N 2.597 118.359 115.700 0.104 0.000 2.498 180 S HA 0.628 5.098 4.470 -0.000 0.000 0.317 180 S C -0.714 173.932 174.600 0.076 0.000 1.090 180 S CA -0.493 57.753 58.200 0.077 0.000 1.089 180 S CB 1.722 64.967 63.200 0.076 0.000 0.997 180 S HN 0.554 nan 8.310 nan 0.000 0.470 181 T N 2.245 116.824 114.554 0.042 0.000 2.859 181 T HA 0.599 4.948 4.350 -0.000 0.000 0.281 181 T C -0.330 174.422 174.700 0.086 0.000 1.005 181 T CA -0.851 61.286 62.100 0.062 0.000 1.025 181 T CB 1.241 70.077 68.868 -0.052 0.000 0.977 181 T HN 0.441 nan 8.240 nan 0.000 0.458 182 S N 1.916 117.722 115.700 0.177 0.000 2.774 182 S HA 0.426 4.896 4.470 -0.000 0.000 0.297 182 S C -0.182 174.632 174.600 0.357 0.000 1.143 182 S CA -0.718 57.596 58.200 0.189 0.000 1.090 182 S CB 0.518 63.797 63.200 0.132 0.000 1.019 182 S HN 0.514 nan 8.310 nan 0.000 0.482 183 F N 2.423 122.415 119.950 0.069 0.000 2.220 183 F HA 0.324 4.850 4.527 -0.000 0.000 0.290 183 F C 1.836 177.699 175.800 0.105 0.000 1.080 183 F CA 0.747 58.838 58.000 0.152 0.000 1.318 183 F CB -0.614 38.464 39.000 0.130 0.000 1.063 183 F HN 0.664 nan 8.300 nan 0.000 0.498 184 G N -1.276 107.632 108.800 0.179 0.000 2.890 184 G HA2 0.396 4.355 3.960 -0.000 0.000 0.189 184 G HA3 0.396 4.355 3.960 -0.000 0.000 0.189 184 G C 0.590 175.535 174.900 0.075 0.000 1.342 184 G CA 0.316 45.455 45.100 0.064 0.000 1.026 184 G HN 0.104 nan 8.290 nan 0.000 0.579 185 E N -1.246 118.979 120.200 0.041 0.000 2.505 185 E HA 0.383 4.733 4.350 -0.000 0.000 0.197 185 E C 1.232 177.851 176.600 0.032 0.000 1.111 185 E CA 0.865 57.287 56.400 0.037 0.000 0.887 185 E CB -0.863 nan 29.700 nan 0.000 0.913 185 E HN 0.889 nan 8.360 nan 0.000 0.517 186 R N 0.255 120.775 120.500 0.034 0.000 2.312 186 R HA 0.616 4.956 4.340 -0.000 0.000 0.311 186 R C 0.031 176.352 176.300 0.034 0.000 1.004 186 R CA 0.036 56.149 56.100 0.022 0.000 0.902 186 R CB 0.352 nan 30.300 nan 0.000 1.073 186 R HN 0.182 nan 8.270 nan 0.000 0.457 187 T N 2.849 117.415 114.554 0.021 0.000 2.792 187 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 187 T C -0.277 174.423 174.700 0.000 0.000 0.990 187 T CA -0.201 61.913 62.100 0.023 0.000 0.960 187 T CB 0.564 69.453 68.868 0.034 0.000 0.939 187 T HN 0.524 nan 8.240 nan 0.000 0.439 188 I N 2.888 123.447 120.570 -0.018 0.000 2.406 188 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 188 I C 0.098 176.211 176.117 -0.007 0.000 0.999 188 I CA -0.640 60.641 61.300 -0.031 0.000 1.124 188 I CB 1.921 39.868 38.000 -0.087 0.000 1.289 188 I HN 0.488 nan 8.210 nan 0.000 0.441 189 T N 4.224 118.788 114.554 0.016 0.000 2.829 189 T HA 0.661 5.011 4.350 -0.000 0.000 0.280 189 T C -0.385 174.357 174.700 0.071 0.000 0.999 189 T CA -0.706 61.422 62.100 0.047 0.000 0.983 189 T CB 1.643 70.541 68.868 0.050 0.000 0.968 189 T HN 0.746 nan 8.240 nan 0.000 0.446 190 S N 0.885 116.662 115.700 0.128 0.000 2.570 190 S HA 0.854 5.323 4.470 -0.000 0.000 0.270 190 S C -0.609 174.170 174.600 0.299 0.000 1.149 190 S CA -1.009 57.316 58.200 0.209 0.000 0.837 190 S CB 1.806 65.140 63.200 0.224 0.000 1.124 190 S HN 0.861 nan 8.310 nan 0.000 0.465 191 T N -1.604 113.098 114.554 0.247 0.000 2.924 191 T HA 0.930 5.279 4.350 -0.000 0.000 0.291 191 T C -0.382 174.225 174.700 -0.155 0.000 1.045 191 T CA -0.656 61.484 62.100 0.066 0.000 1.015 191 T CB 1.452 70.332 68.868 0.020 0.000 1.103 191 T HN 1.770 nan 8.240 nan 0.000 0.496 192 A N 1.359 123.944 122.820 -0.393 0.000 2.539 192 A HA 0.824 5.143 4.320 -0.000 0.000 0.296 192 A C 0.098 177.498 177.584 -0.307 0.000 1.073 192 A CA -0.787 50.899 52.037 -0.585 0.000 0.700 192 A CB 1.392 19.603 19.000 -1.315 0.000 1.296 192 A HN 1.392 nan 8.150 nan 0.000 0.405 193 T N -0.204 114.213 114.554 -0.227 0.000 2.806 193 T HA 0.667 5.017 4.350 -0.000 0.000 0.290 193 T C -0.273 174.344 174.700 -0.139 0.000 0.966 193 T CA -0.222 61.794 62.100 -0.139 0.000 1.060 193 T CB 0.056 68.872 68.868 -0.086 0.000 0.927 193 T HN 0.411 nan 8.240 nan 0.000 0.485 194 I N 2.702 123.210 120.570 -0.102 0.000 2.336 194 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 194 I C 0.112 176.199 176.117 -0.051 0.000 0.991 194 I CA -0.833 60.420 61.300 -0.078 0.000 1.227 194 I CB 1.655 39.618 38.000 -0.061 0.000 1.366 194 I HN 0.496 nan 8.210 nan 0.000 0.466 195 K N 4.446 124.822 120.400 -0.041 0.000 2.701 195 K HA 0.589 4.909 4.320 -0.000 0.000 0.212 195 K C 0.350 176.939 176.600 -0.018 0.000 1.035 195 K CA -0.123 56.148 56.287 -0.027 0.000 1.048 195 K CB 0.828 33.312 32.500 -0.027 0.000 1.234 195 K HN 1.120 nan 8.250 nan 0.000 0.540 196 G N 1.737 110.529 108.800 -0.013 0.000 2.565 196 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.295 196 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.295 196 G C 1.055 175.951 174.900 -0.007 0.000 1.165 196 G CA 0.785 45.882 45.100 -0.006 0.000 0.977 196 G HN 1.286 nan 8.290 nan 0.000 0.546 197 S N 0.253 115.950 115.700 -0.004 0.000 2.631 197 S HA 0.554 5.024 4.470 -0.000 0.000 0.217 197 S C 0.742 175.332 174.600 -0.016 0.000 0.958 197 S CA 0.598 58.792 58.200 -0.010 0.000 0.920 197 S CB -0.145 63.050 63.200 -0.007 0.000 0.776 197 S HN 0.718 nan 8.310 nan 0.000 0.517 198 I N 1.502 122.063 120.570 -0.015 0.000 2.433 198 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 198 I C -1.037 175.065 176.117 -0.025 0.000 1.001 198 I CA -1.089 60.203 61.300 -0.013 0.000 1.119 198 I CB 2.186 40.179 38.000 -0.012 0.000 1.289 198 I HN -0.097 nan 8.210 nan 0.000 0.438 199 V N 6.931 126.836 119.914 -0.016 0.000 2.407 199 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 199 V C -0.573 175.485 176.094 -0.060 0.000 1.018 199 V CA -0.561 61.696 62.300 -0.072 0.000 0.842 199 V CB 1.885 33.678 31.823 -0.049 0.000 0.996 199 V HN 0.410 nan 8.190 nan 0.000 0.426 200 L N 6.062 127.200 121.223 -0.141 0.000 2.295 200 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 200 L C -0.682 176.099 176.870 -0.148 0.000 1.018 200 L CA -0.039 54.766 54.840 -0.057 0.000 0.841 200 L CB 0.752 42.789 42.059 -0.036 0.000 1.218 200 L HN 0.473 nan 8.230 nan 0.000 0.424 201 F N 4.080 124.036 119.950 0.011 0.000 2.494 201 F HA 0.214 4.741 4.527 -0.000 0.000 0.351 201 F C 0.629 176.435 175.800 0.011 0.000 1.205 201 F CA -0.246 57.764 58.000 0.016 0.000 1.125 201 F CB 0.154 39.171 39.000 0.028 0.000 1.268 201 F HN 0.595 nan 8.300 nan 0.000 0.593 202 D N 0.335 120.786 120.400 0.085 0.000 2.571 202 D HA 0.031 4.671 4.640 -0.000 0.000 0.239 202 D C 1.112 177.439 176.300 0.046 0.000 1.267 202 D CA -0.037 53.995 54.000 0.053 0.000 0.823 202 D CB -0.277 40.529 40.800 0.010 0.000 1.056 202 D HN 0.451 nan 8.370 nan 0.000 0.494 203 Q N 0.076 119.917 119.800 0.068 0.000 2.084 203 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 203 Q C 0.140 176.165 176.000 0.041 0.000 0.978 203 Q CA 1.167 57.001 55.803 0.051 0.000 0.844 203 Q CB 0.105 28.882 28.738 0.065 0.000 0.898 203 Q HN 0.211 nan 8.270 nan 0.000 0.426 204 D N -0.632 119.797 120.400 0.048 0.000 2.392 204 D HA 0.113 4.753 4.640 -0.000 0.000 0.228 204 D C -2.056 174.263 176.300 0.031 0.000 1.074 204 D CA -2.443 51.577 54.000 0.034 0.000 0.838 204 D CB 1.481 42.301 40.800 0.033 0.000 1.067 204 D HN -0.147 nan 8.370 nan 0.000 0.511 205 P HA -0.066 nan 4.420 nan 0.000 0.222 205 P C 0.699 178.010 177.300 0.018 0.000 1.147 205 P CA 0.752 63.864 63.100 0.020 0.000 0.790 205 P CB 0.502 32.210 31.700 0.013 0.000 0.780 206 E N -0.612 119.597 120.200 0.014 0.000 2.442 206 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 206 E C 0.358 176.961 176.600 0.005 0.000 1.030 206 E CA 0.518 56.923 56.400 0.008 0.000 0.869 206 E CB 0.057 29.758 29.700 0.002 0.000 0.857 206 E HN 0.190 nan 8.360 nan 0.000 0.505 207 K N 1.022 121.429 120.400 0.012 0.000 3.239 207 K HA 0.256 4.576 4.320 -0.000 0.000 0.204 207 K C -0.195 176.420 176.600 0.024 0.000 1.126 207 K CA -0.224 56.067 56.287 0.007 0.000 0.948 207 K CB 0.595 33.100 32.500 0.009 0.000 0.818 207 K HN 0.177 nan 8.250 nan 0.000 0.480 208 Q N 0.320 120.140 119.800 0.032 0.000 2.352 208 Q HA 0.429 4.769 4.340 -0.000 0.000 0.260 208 Q C -0.198 175.832 176.000 0.050 0.000 0.976 208 Q CA -0.212 55.626 55.803 0.059 0.000 0.881 208 Q CB 1.434 30.204 28.738 0.054 0.000 1.235 208 Q HN 0.127 nan 8.270 nan 0.000 0.419 209 V N 2.403 122.377 119.914 0.100 0.000 2.656 209 V HA 0.268 4.388 4.120 -0.000 0.000 0.307 209 V C -0.604 175.596 176.094 0.176 0.000 1.051 209 V CA -0.807 61.530 62.300 0.061 0.000 0.893 209 V CB 1.893 33.700 31.823 -0.028 0.000 0.999 209 V HN 0.792 nan 8.190 nan 0.000 0.426 210 Q N 3.084 122.954 119.800 0.116 0.000 2.342 210 Q HA 0.848 5.188 4.340 -0.000 0.000 0.267 210 Q C -1.671 174.409 176.000 0.133 0.000 1.038 210 Q CA -0.811 55.077 55.803 0.141 0.000 0.832 210 Q CB 2.384 31.168 28.738 0.076 0.000 1.323 210 Q HN 0.409 nan 8.270 nan 0.000 0.448 211 V N 3.786 123.802 119.914 0.169 0.000 2.417 211 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 211 V C -0.325 175.799 176.094 0.051 0.000 1.024 211 V CA -0.753 61.620 62.300 0.122 0.000 0.861 211 V CB 1.280 33.225 31.823 0.205 0.000 0.985 211 V HN 0.733 nan 8.190 nan 0.000 0.436 212 L N 5.675 126.899 121.223 0.002 0.000 2.295 212 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 212 L C -0.519 176.309 176.870 -0.069 0.000 1.035 212 L CA -0.497 54.315 54.840 -0.046 0.000 0.806 212 L CB 1.462 43.466 42.059 -0.092 0.000 1.214 212 L HN 0.439 nan 8.230 nan 0.000 0.426 213 L N 5.249 126.434 121.223 -0.063 0.000 2.265 213 L HA 0.514 4.854 4.340 -0.000 0.000 0.288 213 L C -0.312 176.491 176.870 -0.110 0.000 1.058 213 L CA -0.150 54.651 54.840 -0.065 0.000 0.809 213 L CB 0.768 42.810 42.059 -0.028 0.000 1.179 213 L HN 0.466 nan 8.230 nan 0.000 0.429 214 L N 3.886 125.024 121.223 -0.142 0.000 2.279 214 L HA 0.641 4.981 4.340 -0.000 0.000 0.262 214 L C -2.296 174.514 176.870 -0.101 0.000 1.019 214 L CA -2.192 52.508 54.840 -0.234 0.000 0.823 214 L CB 2.154 43.972 42.059 -0.402 0.000 1.358 214 L HN 0.303 nan 8.230 nan 0.000 0.432 215 P HA -0.026 nan 4.420 nan 0.000 0.271 215 P C -0.336 176.983 177.300 0.032 0.000 1.238 215 P CA 0.273 63.401 63.100 0.047 0.000 0.794 215 P CB 0.273 32.061 31.700 0.147 0.000 0.959 216 D N 0.206 120.652 120.400 0.077 0.000 2.870 216 D HA -0.167 4.472 4.640 -0.000 0.000 0.228 216 D C 0.874 177.296 176.300 0.203 0.000 1.147 216 D CA 1.796 55.872 54.000 0.126 0.000 0.757 216 D CB -1.663 39.179 40.800 0.070 0.000 1.091 216 D HN 0.776 nan 8.370 nan 0.000 0.429 217 G N -1.615 107.267 108.800 0.137 0.000 2.187 217 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.261 217 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.261 217 G C 0.523 175.507 174.900 0.140 0.000 1.000 217 G CA 1.029 46.216 45.100 0.144 0.000 0.718 217 G HN 1.269 nan 8.290 nan 0.000 0.519 218 A N -0.456 122.383 122.820 0.031 0.000 2.286 218 A HA 0.901 5.221 4.320 -0.000 0.000 0.286 218 A C 0.636 178.179 177.584 -0.069 0.000 1.097 218 A CA 0.734 52.736 52.037 -0.059 0.000 0.821 218 A CB 1.009 19.909 19.000 -0.167 0.000 1.076 218 A HN 1.994 nan 8.150 nan 0.000 0.490 219 S N -0.623 115.042 115.700 -0.059 0.000 2.564 219 S HA 0.816 5.286 4.470 -0.000 0.000 0.274 219 S C -0.732 173.849 174.600 -0.032 0.000 1.124 219 S CA -0.099 58.070 58.200 -0.051 0.000 0.869 219 S CB 1.730 64.917 63.200 -0.022 0.000 1.105 219 S HN 2.088 nan 8.310 nan 0.000 0.472 220 A N 1.622 124.418 122.820 -0.039 0.000 2.353 220 A HA 0.780 5.100 4.320 -0.000 0.000 0.299 220 A C -0.418 177.173 177.584 0.012 0.000 1.089 220 A CA -0.673 51.352 52.037 -0.021 0.000 0.736 220 A CB 1.354 20.311 19.000 -0.073 0.000 1.195 220 A HN 0.780 nan 8.150 nan 0.000 0.447 221 T N 2.209 116.788 114.554 0.041 0.000 2.807 221 T HA 0.766 5.116 4.350 -0.000 0.000 0.279 221 T C -0.085 174.610 174.700 -0.008 0.000 0.993 221 T CA -0.203 61.917 62.100 0.032 0.000 0.970 221 T CB 1.243 70.155 68.868 0.072 0.000 0.950 221 T HN 1.159 nan 8.240 nan 0.000 0.441 222 S N 2.581 118.266 115.700 -0.025 0.000 2.596 222 S HA 0.749 5.219 4.470 -0.000 0.000 0.270 222 S C -3.346 171.202 174.600 -0.086 0.000 1.155 222 S CA -1.766 56.418 58.200 -0.026 0.000 0.827 222 S CB 1.364 64.731 63.200 0.278 0.000 1.130 222 S HN 0.351 nan 8.310 nan 0.000 0.467 223 P HA 0.268 nan 4.420 nan 0.000 0.271 223 P C 0.713 178.035 177.300 0.038 0.000 1.218 223 P CA -0.560 62.471 63.100 -0.115 0.000 0.780 223 P CB 0.425 31.999 31.700 -0.210 0.000 0.901 224 L N 1.506 122.761 121.223 0.053 0.000 2.083 224 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 224 L C 0.945 177.945 176.870 0.218 0.000 1.083 224 L CA 1.953 56.863 54.840 0.116 0.000 0.752 224 L CB -0.445 41.659 42.059 0.075 0.000 0.899 224 L HN 0.359 nan 8.230 nan 0.000 0.433 225 K N -0.600 119.872 120.400 0.119 0.000 2.579 225 K HA 0.309 4.628 4.320 -0.000 0.000 0.250 225 K C -1.317 175.211 176.600 -0.119 0.000 0.952 225 K CA -0.586 55.737 56.287 0.061 0.000 0.857 225 K CB 1.572 34.109 32.500 0.062 0.000 1.123 225 K HN -0.237 nan 8.250 nan 0.000 0.433 226 V N 4.834 124.611 119.914 -0.228 0.000 2.485 226 V HA 0.025 4.144 4.120 -0.000 0.000 0.287 226 V C 0.023 175.916 176.094 -0.335 0.000 1.022 226 V CA 0.312 62.358 62.300 -0.424 0.000 1.067 226 V CB 0.753 32.185 31.823 -0.651 0.000 0.967 226 V HN 0.752 nan 8.190 nan 0.000 0.479 227 Q N 4.067 123.683 119.800 -0.306 0.000 2.337 227 Q HA 0.561 4.900 4.340 -0.000 0.000 0.266 227 Q C -0.790 175.070 176.000 -0.233 0.000 1.023 227 Q CA -0.797 54.870 55.803 -0.225 0.000 0.829 227 Q CB 2.577 31.221 28.738 -0.156 0.000 1.306 227 Q HN 0.616 nan 8.270 nan 0.000 0.449 228 L N 2.691 123.796 121.223 -0.196 0.000 2.456 228 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 228 L C 0.565 177.359 176.870 -0.126 0.000 1.189 228 L CA 0.269 55.005 54.840 -0.174 0.000 0.846 228 L CB 0.103 42.068 42.059 -0.156 0.000 1.111 228 L HN 0.760 nan 8.230 nan 0.000 0.475 229 R N 0.288 120.726 120.500 -0.103 0.000 3.878 229 R HA -0.155 4.184 4.340 -0.000 0.000 0.330 229 R C -0.652 175.614 176.300 -0.056 0.000 1.186 229 R CA 0.370 56.432 56.100 -0.063 0.000 0.885 229 R CB -1.290 28.979 30.300 -0.052 0.000 1.377 229 R HN 0.571 nan 8.270 nan 0.000 0.523 230 Q N 0.177 119.931 119.800 -0.076 0.000 2.365 230 Q HA 0.442 4.781 4.340 -0.000 0.000 0.269 230 Q C -2.408 173.569 176.000 -0.039 0.000 1.061 230 Q CA -2.385 53.384 55.803 -0.058 0.000 0.816 230 Q CB 1.830 30.519 28.738 -0.082 0.000 1.325 230 Q HN -0.118 nan 8.270 nan 0.000 0.446 231 P HA 0.237 nan 4.420 nan 0.000 0.271 231 P C -0.551 176.782 177.300 0.055 0.000 1.216 231 P CA -0.098 63.035 63.100 0.056 0.000 0.776 231 P CB 0.513 32.255 31.700 0.069 0.000 0.881 232 L N 1.196 122.483 121.223 0.107 0.000 2.630 232 L HA 0.865 5.204 4.340 -0.000 0.000 0.258 232 L C -1.616 175.441 176.870 0.313 0.000 1.072 232 L CA -1.243 53.644 54.840 0.078 0.000 0.885 232 L CB 2.071 44.003 42.059 -0.212 0.000 1.502 232 L HN 0.350 nan 8.230 nan 0.000 0.406 233 F N -0.564 119.421 119.950 0.058 0.000 2.631 233 F HA 0.778 5.305 4.527 -0.000 0.000 0.308 233 F C -2.036 173.848 175.800 0.139 0.000 1.097 233 F CA -1.089 57.006 58.000 0.157 0.000 0.952 233 F CB 1.300 40.362 39.000 0.104 0.000 1.307 233 F HN 0.444 nan 8.300 nan 0.000 0.450 234 L N 2.236 123.641 121.223 0.302 0.000 2.317 234 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 234 L C -0.552 176.484 176.870 0.277 0.000 1.024 234 L CA -0.518 54.434 54.840 0.187 0.000 0.810 234 L CB 1.917 44.087 42.059 0.185 0.000 1.240 234 L HN 0.889 nan 8.230 nan 0.000 0.427 235 E N 2.245 122.575 120.200 0.217 0.000 2.340 235 E HA 0.797 5.146 4.350 -0.000 0.000 0.273 235 E C -1.765 174.917 176.600 0.136 0.000 0.891 235 E CA -0.647 55.892 56.400 0.232 0.000 0.757 235 E CB 2.575 32.493 29.700 0.365 0.000 1.231 235 E HN 0.656 nan 8.360 nan 0.000 0.439 236 A N 1.804 124.710 122.820 0.143 0.000 2.515 236 A HA 0.883 5.203 4.320 -0.000 0.000 0.296 236 A C -0.704 177.062 177.584 0.303 0.000 1.094 236 A CA -0.195 51.948 52.037 0.175 0.000 0.718 236 A CB 1.949 21.036 19.000 0.144 0.000 1.307 236 A HN 0.589 nan 8.150 nan 0.000 0.408 237 G N -1.051 107.863 108.800 0.190 0.000 2.612 237 G HA2 0.553 4.513 3.960 -0.000 0.000 0.298 237 G HA3 0.553 4.513 3.960 -0.000 0.000 0.298 237 G C -2.049 172.779 174.900 -0.120 0.000 1.336 237 G CA -0.360 44.758 45.100 0.030 0.000 0.953 237 G HN 0.932 nan 8.290 nan 0.000 0.482 238 W N 3.097 124.022 121.300 -0.626 0.000 2.756 238 W HA 0.530 5.190 4.660 -0.000 0.000 0.333 238 W C -1.633 174.621 176.519 -0.442 0.000 1.025 238 W CA -1.839 55.148 57.345 -0.596 0.000 1.246 238 W CB 1.685 30.570 29.460 -0.958 0.000 1.358 238 W HN 0.382 nan 8.180 nan 0.000 0.444 239 L N 7.882 129.027 121.223 -0.131 0.000 2.385 239 L HA 0.234 4.574 4.340 -0.000 0.000 0.285 239 L C 0.890 177.478 176.870 -0.471 0.000 1.125 239 L CA 0.631 55.326 54.840 -0.243 0.000 0.890 239 L CB -0.001 42.003 42.059 -0.092 0.000 1.251 239 L HN 0.589 nan 8.230 nan 0.000 0.445 240 I N 2.387 122.518 120.570 -0.732 0.000 2.353 240 I HA -0.088 4.081 4.170 -0.000 0.000 0.248 240 I C 0.726 176.526 176.117 -0.527 0.000 1.119 240 I CA 0.756 61.446 61.300 -1.016 0.000 1.417 240 I CB -0.097 37.199 38.000 -1.173 0.000 1.078 240 I HN 0.589 nan 8.210 nan 0.000 0.421 241 Q N -0.511 119.099 119.800 -0.317 0.000 2.565 241 Q HA 0.357 4.697 4.340 -0.000 0.000 0.294 241 Q C -0.739 175.219 176.000 -0.069 0.000 1.005 241 Q CA -0.653 55.054 55.803 -0.160 0.000 0.771 241 Q CB 1.666 30.327 28.738 -0.128 0.000 1.486 241 Q HN -0.058 nan 8.270 nan 0.000 0.422 242 S N 2.061 117.742 115.700 -0.031 0.000 2.546 242 S HA 0.034 4.504 4.470 -0.000 0.000 0.290 242 S C -0.016 174.587 174.600 0.004 0.000 1.290 242 S CA 0.490 58.694 58.200 0.007 0.000 1.069 242 S CB -0.063 63.130 63.200 -0.013 0.000 0.846 242 S HN 0.616 nan 8.310 nan 0.000 0.495 243 D N -0.770 119.658 120.400 0.047 0.000 3.028 243 D HA -0.177 4.463 4.640 -0.000 0.000 0.207 243 D C -0.518 175.853 176.300 0.118 0.000 1.100 243 D CA 0.719 54.677 54.000 -0.070 0.000 0.995 243 D CB -1.083 39.624 40.800 -0.156 0.000 1.108 243 D HN 0.393 nan 8.370 nan 0.000 0.421 244 L N 0.415 121.759 121.223 0.202 0.000 2.441 244 L HA 0.548 4.888 4.340 -0.000 0.000 0.270 244 L C -0.754 176.119 176.870 0.004 0.000 0.973 244 L CA -0.508 54.400 54.840 0.114 0.000 0.842 244 L CB 1.632 43.655 42.059 -0.059 0.000 1.239 244 L HN 0.078 nan 8.230 nan 0.000 0.406 245 R N 3.200 123.689 120.500 -0.018 0.000 2.686 245 R HA 0.634 4.974 4.340 -0.000 0.000 0.283 245 R C -1.317 174.837 176.300 -0.243 0.000 0.978 245 R CA -0.501 55.441 56.100 -0.262 0.000 0.897 245 R CB 1.733 31.703 30.300 -0.549 0.000 1.192 245 R HN 0.725 nan 8.270 nan 0.000 0.457 246 Q N 2.878 122.503 119.800 -0.292 0.000 2.306 246 Q HA 0.509 4.849 4.340 -0.000 0.000 0.265 246 Q C -0.575 175.354 176.000 -0.118 0.000 1.022 246 Q CA -0.894 54.797 55.803 -0.186 0.000 0.853 246 Q CB 2.773 31.429 28.738 -0.137 0.000 1.327 246 Q HN 0.460 nan 8.270 nan 0.000 0.449 250 R N 3.928 124.583 120.500 0.258 0.000 2.215 250 R HA 0.757 5.096 4.340 -0.000 0.000 0.336 250 R C -0.997 175.518 176.300 0.358 0.000 0.996 250 R CA -0.145 56.125 56.100 0.283 0.000 0.847 250 R CB 1.162 31.560 30.300 0.164 0.000 1.127 250 R HN 0.676 nan 8.270 nan 0.000 0.465 251 S N 3.317 119.196 115.700 0.297 0.000 2.472 251 S HA 0.465 4.935 4.470 -0.000 0.000 0.303 251 S C -1.435 173.246 174.600 0.134 0.000 1.099 251 S CA -0.466 57.901 58.200 0.279 0.000 1.077 251 S CB 0.996 64.297 63.200 0.169 0.000 1.031 251 S HN 0.408 nan 8.310 nan 0.000 0.487 252 Y N 2.140 122.588 120.300 0.247 0.000 2.446 252 Y HA 0.412 4.962 4.550 -0.001 0.000 0.345 252 Y C 0.560 176.527 175.900 0.111 0.000 0.984 252 Y CA -1.251 56.963 58.100 0.191 0.000 1.058 252 Y CB 1.202 39.730 38.460 0.114 0.000 1.220 252 Y HN 0.710 nan 8.280 nan 0.000 0.455 253 N N 0.035 118.866 118.700 0.217 0.000 2.405 253 N HA 0.034 4.774 4.740 -0.000 0.000 0.269 253 N C 0.383 175.955 175.510 0.103 0.000 1.249 253 N CA -0.368 52.760 53.050 0.129 0.000 0.974 253 N CB 0.354 38.892 38.487 0.085 0.000 1.204 253 N HN 0.668 nan 8.380 nan 0.000 0.565 254 D N -1.280 119.155 120.400 0.057 0.000 2.378 254 D HA -0.118 4.522 4.640 -0.000 0.000 0.227 254 D C 0.373 176.687 176.300 0.023 0.000 1.012 254 D CA 1.017 55.033 54.000 0.026 0.000 0.905 254 D CB -0.181 40.626 40.800 0.012 0.000 0.895 254 D HN 0.614 nan 8.370 nan 0.000 0.532 255 K N -0.472 119.956 120.400 0.046 0.000 2.404 255 K HA 0.225 4.545 4.320 -0.000 0.000 0.194 255 K C 1.203 177.843 176.600 0.066 0.000 1.023 255 K CA 0.435 56.750 56.287 0.046 0.000 1.094 255 K CB 0.342 32.872 32.500 0.050 0.000 0.841 255 K HN 0.264 nan 8.250 nan 0.000 0.523 256 G N 2.248 111.101 108.800 0.088 0.000 2.148 256 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 256 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 256 G C -0.411 174.671 174.900 0.303 0.000 0.981 256 G CA 0.070 45.247 45.100 0.128 0.000 0.670 256 G HN 0.408 nan 8.290 nan 0.000 0.528 257 E N -0.796 119.560 120.200 0.259 0.000 2.316 257 E HA 0.300 4.650 4.350 -0.000 0.000 0.275 257 E C 0.132 176.898 176.600 0.277 0.000 1.029 257 E CA -0.923 55.631 56.400 0.258 0.000 0.871 257 E CB 0.695 30.477 29.700 0.137 0.000 1.022 257 E HN 0.289 nan 8.360 nan 0.000 0.418 258 W N 5.684 126.958 121.300 -0.043 0.000 2.565 258 W HA 0.085 4.745 4.660 -0.001 0.000 0.325 258 W C 0.488 176.871 176.519 -0.227 0.000 1.408 258 W CA -0.584 56.463 57.345 -0.497 0.000 1.350 258 W CB 0.205 29.433 29.460 -0.386 0.000 1.426 258 W HN 0.383 nan 8.180 nan 0.000 0.538 259 V N 2.650 122.447 119.914 -0.195 0.000 2.949 259 V HA 0.278 4.397 4.120 -0.000 0.000 0.245 259 V C 0.575 176.491 176.094 -0.297 0.000 1.086 259 V CA 1.039 63.229 62.300 -0.184 0.000 1.097 259 V CB -0.556 31.267 31.823 -0.001 0.000 0.762 259 V HN 0.586 nan 8.190 nan 0.000 0.470 260 S N -0.381 115.126 115.700 -0.322 0.000 2.611 260 S HA 0.758 5.228 4.470 -0.000 0.000 0.268 260 S C -1.639 172.963 174.600 0.004 0.000 1.156 260 S CA -0.583 57.462 58.200 -0.259 0.000 0.817 260 S CB 2.216 65.308 63.200 -0.181 0.000 1.122 260 S HN 0.702 nan 8.310 nan 0.000 0.466 261 L N 0.955 122.175 121.223 -0.004 0.000 2.470 261 L HA 0.795 5.134 4.340 -0.000 0.000 0.268 261 L C -1.118 175.901 176.870 0.248 0.000 0.964 261 L CA 0.270 55.239 54.840 0.215 0.000 0.839 261 L CB 2.148 44.364 42.059 0.261 0.000 1.276 261 L HN 0.990 nan 8.230 nan 0.000 0.403 262 T N 5.551 120.274 114.554 0.282 0.000 2.841 262 T HA 0.580 4.930 4.350 -0.000 0.000 0.283 262 T C -1.095 173.646 174.700 0.068 0.000 1.000 262 T CA -0.336 61.895 62.100 0.218 0.000 0.977 262 T CB 1.491 70.477 68.868 0.196 0.000 0.979 262 T HN 0.571 nan 8.240 nan 0.000 0.446 263 L N 3.825 124.914 121.223 -0.222 0.000 2.349 263 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 263 L C -1.174 175.513 176.870 -0.305 0.000 0.996 263 L CA -0.790 53.770 54.840 -0.466 0.000 0.825 263 L CB 1.098 42.416 42.059 -1.235 0.000 1.243 263 L HN 0.413 nan 8.230 nan 0.000 0.412 264 V N 3.089 122.893 119.914 -0.184 0.000 2.435 264 V HA 0.500 4.620 4.120 -0.000 0.000 0.290 264 V C 0.024 176.039 176.094 -0.131 0.000 1.030 264 V CA -0.410 61.776 62.300 -0.191 0.000 0.881 264 V CB 1.741 33.478 31.823 -0.144 0.000 0.983 264 V HN 0.741 nan 8.190 nan 0.000 0.445 265 T N 5.369 119.841 114.554 -0.136 0.000 2.786 265 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 265 T C -0.536 174.130 174.700 -0.058 0.000 0.992 265 T CA -0.586 61.459 62.100 -0.091 0.000 0.954 265 T CB 0.946 69.768 68.868 -0.077 0.000 0.934 265 T HN 0.943 nan 8.240 nan 0.000 0.440 266 E N 2.207 122.404 120.200 -0.004 0.000 2.383 266 E HA 0.603 4.953 4.350 -0.000 0.000 0.275 266 E C -1.454 175.308 176.600 0.270 0.000 0.918 266 E CA -1.094 55.371 56.400 0.109 0.000 0.764 266 E CB 2.248 32.025 29.700 0.130 0.000 1.252 266 E HN 0.441 nan 8.360 nan 0.000 0.449 267 E N 1.116 121.470 120.200 0.257 0.000 2.238 267 E HA 0.342 4.692 4.350 -0.000 0.000 0.267 267 E C -0.985 175.581 176.600 -0.057 0.000 0.887 267 E CA -1.013 55.478 56.400 0.151 0.000 0.769 267 E CB 2.808 32.518 29.700 0.016 0.000 1.187 267 E HN 0.325 nan 8.360 nan 0.000 0.416 268 R N 2.155 122.336 120.500 -0.532 0.000 2.265 268 R HA 0.229 4.569 4.340 -0.000 0.000 0.314 268 R C 0.065 176.077 176.300 -0.479 0.000 1.053 268 R CA -0.393 55.105 56.100 -1.003 0.000 0.931 268 R CB 0.544 29.916 30.300 -1.547 0.000 1.024 268 R HN 0.409 nan 8.270 nan 0.000 0.457 269 V N 0.000 119.692 119.914 -0.370 0.000 2.409 269 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 269 V CA 0.000 62.174 62.300 -0.211 0.000 1.235 269 V CB 0.000 31.744 31.823 -0.132 0.000 1.184 269 V HN 0.000 nan 8.190 nan 0.000 0.556