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 3oya_1_A DATA FIRST_RESID 8 DATA SEQUENCE LDAELDQLLQ GHYIKGYPKQ YTYFLEDGKV KVSRPEGVKI IPPQSDRQKI DATA SEQUENCE VLQAHNLAHT GREATLLKIA NLYWWPNMRK DVVKQLGRCQ QCLITNASNK DATA SEQUENCE ASGPILRPDR PQKPFDKFFI DYIGPLPPSQ GYLYVLVVVD GMTGFTWLYP DATA SEQUENCE TKAPSTSATV KSLNVLTSIA IPKVIHSDQG AAFTSSTFAE WAKERGIHLE DATA SEQUENCE FSTPYHPQSS GKVERKNSDI KRLLTKLLVG RPTKWYDLLP VVQLALNNTY DATA SEQUENCE SPVLKYTPHQ LLFGIDSNTP FANQDTLDLT REEELSLLQE IRTSLYHPST DATA SEQUENCE PPASSRSWSP VVGQLVQERV ARPASLRPRW HKPSTVLKVL NPRTVVILDH DATA SEQUENCE LGNNRTVSID NLKPTSHQ 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.825 176.870 -0.075 0.000 1.165 8 L CA 0.000 54.789 54.840 -0.085 0.000 0.813 8 L CB 0.000 42.011 42.059 -0.079 0.000 0.961 9 D N 0.315 120.677 120.400 -0.063 0.000 2.277 9 D HA 0.225 4.865 4.640 0.001 0.000 0.208 9 D C 2.067 178.334 176.300 -0.056 0.000 0.962 9 D CA 1.551 55.518 54.000 -0.054 0.000 0.865 9 D CB 0.378 41.153 40.800 -0.041 0.000 0.939 9 D HN 0.815 nan 8.370 nan 0.000 0.510 10 A N 1.613 124.399 122.820 -0.056 0.000 1.835 10 A HA -0.219 4.101 4.320 0.001 0.000 0.215 10 A C 2.098 179.637 177.584 -0.075 0.000 1.199 10 A CA 1.372 53.376 52.037 -0.055 0.000 0.615 10 A CB -0.644 18.327 19.000 -0.049 0.000 0.838 10 A HN 0.118 nan 8.150 nan 0.000 0.444 11 E N -0.732 119.413 120.200 -0.092 0.000 2.048 11 E HA -0.246 4.104 4.350 0.001 0.000 0.202 11 E C 1.921 178.398 176.600 -0.207 0.000 1.021 11 E CA 1.545 57.860 56.400 -0.142 0.000 0.825 11 E CB -0.360 29.263 29.700 -0.128 0.000 0.756 11 E HN 0.398 nan 8.360 nan 0.000 0.454 12 L N 1.380 122.493 121.223 -0.183 0.000 2.127 12 L HA -0.206 4.134 4.340 0.001 0.000 0.211 12 L C 2.030 178.815 176.870 -0.141 0.000 1.089 12 L CA 1.569 56.293 54.840 -0.193 0.000 0.757 12 L CB -0.557 41.436 42.059 -0.111 0.000 0.899 12 L HN 0.119 nan 8.230 nan 0.000 0.434 13 D N -0.888 119.456 120.400 -0.093 0.000 2.077 13 D HA -0.204 4.436 4.640 0.001 0.000 0.196 13 D C 2.153 178.427 176.300 -0.044 0.000 0.986 13 D CA 0.997 54.966 54.000 -0.052 0.000 0.829 13 D CB 0.139 40.920 40.800 -0.032 0.000 0.983 13 D HN 0.234 nan 8.370 nan 0.000 0.453 14 Q N -0.027 119.746 119.800 -0.045 0.000 2.173 14 Q HA -0.178 4.162 4.340 0.001 0.000 0.208 14 Q C 2.131 178.122 176.000 -0.015 0.000 0.989 14 Q CA 0.978 56.785 55.803 0.008 0.000 0.872 14 Q CB -0.307 28.416 28.738 -0.026 0.000 0.909 14 Q HN 0.240 nan 8.270 nan 0.000 0.420 15 L N -0.685 120.451 121.223 -0.145 0.000 2.056 15 L HA -0.108 4.233 4.340 0.001 0.000 0.207 15 L C 1.796 178.594 176.870 -0.120 0.000 1.078 15 L CA 1.424 56.120 54.840 -0.240 0.000 0.749 15 L CB -0.266 41.491 42.059 -0.503 0.000 0.901 15 L HN 0.273 nan 8.230 nan 0.000 0.433 16 L N -0.401 120.782 121.223 -0.068 0.000 2.046 16 L HA -0.232 4.108 4.340 0.001 0.000 0.208 16 L C 2.312 179.190 176.870 0.015 0.000 1.077 16 L CA 1.552 56.398 54.840 0.010 0.000 0.747 16 L CB -0.556 41.513 42.059 0.018 0.000 0.896 16 L HN 0.531 nan 8.230 nan 0.000 0.432 17 Q N -0.053 119.736 119.800 -0.019 0.000 2.387 17 Q HA 0.059 4.400 4.340 0.001 0.000 0.211 17 Q C 1.131 177.025 176.000 -0.177 0.000 0.952 17 Q CA 0.650 56.414 55.803 -0.066 0.000 0.957 17 Q CB 0.038 28.749 28.738 -0.044 0.000 1.002 17 Q HN 0.431 nan 8.270 nan 0.000 0.502 18 G N 0.716 109.460 108.800 -0.094 0.000 2.179 18 G HA2 -0.242 3.718 3.960 0.001 0.000 0.260 18 G HA3 -0.242 3.718 3.960 0.001 0.000 0.260 18 G C -0.086 174.766 174.900 -0.079 0.000 0.977 18 G CA 0.194 45.254 45.100 -0.068 0.000 0.641 18 G HN 0.575 nan 8.290 nan 0.000 0.533 19 H N -1.039 118.054 119.070 0.039 0.000 2.603 19 H HA 0.411 4.967 4.556 0.000 0.000 0.370 19 H C 0.100 175.473 175.328 0.076 0.000 1.225 19 H CA 0.099 56.180 56.048 0.056 0.000 1.410 19 H CB 0.621 30.397 29.762 0.022 0.000 1.495 19 H HN 0.246 nan 8.280 nan 0.000 0.602 20 Y N 1.261 121.651 120.300 0.151 0.000 2.326 20 Y HA 0.333 4.884 4.550 0.001 0.000 0.337 20 Y C -0.985 174.954 175.900 0.065 0.000 1.023 20 Y CA -0.709 57.446 58.100 0.092 0.000 1.143 20 Y CB 0.178 38.698 38.460 0.100 0.000 1.183 20 Y HN 0.332 nan 8.280 nan 0.000 0.485 21 I N 6.328 126.478 120.570 -0.701 0.000 2.433 21 I HA 0.259 4.429 4.170 0.001 0.000 0.292 21 I C -0.345 175.298 176.117 -0.789 0.000 1.001 21 I CA -0.914 60.038 61.300 -0.580 0.000 1.119 21 I CB 1.649 39.472 38.000 -0.296 0.000 1.289 21 I HN 0.506 nan 8.210 nan 0.000 0.438 22 K N 4.462 124.577 120.400 -0.475 0.000 2.453 22 K HA 0.245 4.566 4.320 0.001 0.000 0.280 22 K C 1.005 177.605 176.600 0.000 0.000 1.045 22 K CA 1.289 57.482 56.287 -0.157 0.000 1.059 22 K CB -0.061 32.465 32.500 0.043 0.000 0.901 22 K HN 0.950 nan 8.250 nan 0.000 0.475 23 G N 3.891 112.734 108.800 0.071 0.000 2.339 23 G HA2 -0.246 3.714 3.960 0.001 0.000 0.209 23 G HA3 -0.246 3.714 3.960 0.001 0.000 0.209 23 G C -0.618 174.324 174.900 0.070 0.000 1.015 23 G CA -0.306 44.810 45.100 0.027 0.000 0.635 23 G HN 0.620 nan 8.290 nan 0.000 0.499 24 Y N 3.446 123.846 120.300 0.167 0.000 2.454 24 Y HA 0.497 5.047 4.550 0.001 0.000 0.345 24 Y C -1.804 174.331 175.900 0.391 0.000 0.970 24 Y CA -2.091 56.207 58.100 0.330 0.000 1.204 24 Y CB 1.177 39.659 38.460 0.037 0.000 1.122 24 Y HN 0.024 nan 8.280 nan 0.000 0.514 25 P HA 0.035 nan 4.420 nan 0.000 0.265 25 P C 0.489 178.089 177.300 0.500 0.000 1.193 25 P CA 0.063 63.457 63.100 0.490 0.000 0.765 25 P CB 0.955 32.900 31.700 0.408 0.000 0.823 26 K N 2.832 123.458 120.400 0.377 0.000 2.288 26 K HA -0.144 4.176 4.320 0.001 0.000 0.201 26 K C 1.781 178.470 176.600 0.149 0.000 1.048 26 K CA 1.770 58.251 56.287 0.323 0.000 0.956 26 K CB -1.120 31.509 32.500 0.216 0.000 0.746 26 K HN 0.790 nan 8.250 nan 0.000 0.461 27 Q N -1.481 118.291 119.800 -0.047 0.000 2.444 27 Q HA 0.095 4.436 4.340 0.001 0.000 0.206 27 Q C -0.503 175.272 176.000 -0.374 0.000 0.948 27 Q CA -0.065 55.597 55.803 -0.235 0.000 0.946 27 Q CB -0.389 28.142 28.738 -0.344 0.000 1.027 27 Q HN 0.599 nan 8.270 nan 0.000 0.513 28 Y N 1.196 121.453 120.300 -0.072 0.000 2.457 28 Y HA 0.349 4.899 4.550 0.001 0.000 0.333 28 Y C 0.212 175.901 175.900 -0.353 0.000 1.119 28 Y CA -1.303 56.629 58.100 -0.279 0.000 1.143 28 Y CB 1.744 39.898 38.460 -0.511 0.000 1.230 28 Y HN -0.017 nan 8.280 nan 0.000 0.469 29 T N -0.504 113.996 114.554 -0.091 0.000 2.743 29 T HA 0.488 4.838 4.350 0.001 0.000 0.293 29 T C -1.125 173.552 174.700 -0.037 0.000 0.945 29 T CA -0.648 61.446 62.100 -0.011 0.000 1.030 29 T CB -0.280 68.633 68.868 0.075 0.000 0.912 29 T HN 0.354 nan 8.240 nan 0.000 0.483 30 Y N 3.760 124.185 120.300 0.209 0.000 2.331 30 Y HA 0.582 5.133 4.550 0.000 0.000 0.338 30 Y C 0.039 176.060 175.900 0.201 0.000 0.976 30 Y CA -1.504 56.678 58.100 0.136 0.000 1.137 30 Y CB 0.723 39.225 38.460 0.069 0.000 1.172 30 Y HN 0.804 nan 8.280 nan 0.000 0.478 31 F N 0.783 120.825 119.950 0.154 0.000 2.691 31 F HA 0.832 5.359 4.527 0.001 0.000 0.334 31 F C -1.784 174.067 175.800 0.085 0.000 1.107 31 F CA -1.729 56.328 58.000 0.095 0.000 0.991 31 F CB 1.178 40.211 39.000 0.055 0.000 1.400 31 F HN 0.282 nan 8.300 nan 0.000 0.503 32 L N 1.009 122.394 121.223 0.269 0.000 2.331 32 L HA 0.666 5.006 4.340 0.001 0.000 0.275 32 L C -1.093 175.929 176.870 0.253 0.000 1.022 32 L CA -0.238 54.690 54.840 0.147 0.000 0.812 32 L CB 1.760 43.883 42.059 0.107 0.000 1.257 32 L HN 0.910 nan 8.230 nan 0.000 0.435 33 E N 3.135 123.425 120.200 0.150 0.000 2.597 33 E HA 0.118 4.469 4.350 0.001 0.000 0.310 33 E C -1.287 175.368 176.600 0.093 0.000 0.970 33 E CA -0.469 56.032 56.400 0.169 0.000 0.819 33 E CB 0.899 30.779 29.700 0.300 0.000 1.267 33 E HN 0.766 nan 8.360 nan 0.000 0.411 34 D N 2.926 123.372 120.400 0.076 0.000 2.983 34 D HA -0.215 4.425 4.640 0.001 0.000 0.225 34 D C 0.686 177.012 176.300 0.044 0.000 1.174 34 D CA 2.034 56.066 54.000 0.053 0.000 0.831 34 D CB -1.294 39.535 40.800 0.049 0.000 1.104 34 D HN 1.063 nan 8.370 nan 0.000 0.421 35 G N -0.679 108.148 108.800 0.045 0.000 2.136 35 G HA2 -0.341 3.620 3.960 0.001 0.000 0.242 35 G HA3 -0.341 3.620 3.960 0.001 0.000 0.242 35 G C 0.165 175.084 174.900 0.031 0.000 0.989 35 G CA 0.734 45.855 45.100 0.035 0.000 0.682 35 G HN 0.484 nan 8.290 nan 0.000 0.522 36 K N -0.642 119.777 120.400 0.031 0.000 2.469 36 K HA 0.625 4.946 4.320 0.001 0.000 0.254 36 K C 0.048 176.644 176.600 -0.006 0.000 0.939 36 K CA -0.837 55.465 56.287 0.025 0.000 0.812 36 K CB 2.846 35.372 32.500 0.044 0.000 1.301 36 K HN 0.073 nan 8.250 nan 0.000 0.433 37 V N 3.696 123.609 119.914 -0.001 0.000 2.470 37 V HA 0.179 4.299 4.120 0.001 0.000 0.276 37 V C -0.061 175.984 176.094 -0.081 0.000 1.040 37 V CA -0.026 62.253 62.300 -0.035 0.000 1.008 37 V CB 0.337 32.167 31.823 0.012 0.000 0.990 37 V HN 0.622 nan 8.190 nan 0.000 0.477 38 K N 3.462 123.665 120.400 -0.328 0.000 2.306 38 K HA 0.878 5.198 4.320 0.001 0.000 0.236 38 K C -1.244 175.074 176.600 -0.471 0.000 1.013 38 K CA -0.888 55.125 56.287 -0.456 0.000 0.857 38 K CB 2.771 34.814 32.500 -0.761 0.000 1.214 38 K HN 0.395 nan 8.250 nan 0.000 0.449 39 V N -0.151 119.587 119.914 -0.293 0.000 3.012 39 V HA 0.320 4.440 4.120 0.001 0.000 0.307 39 V C -1.416 174.572 176.094 -0.176 0.000 1.166 39 V CA -0.477 61.677 62.300 -0.244 0.000 0.974 39 V CB 2.228 33.894 31.823 -0.262 0.000 1.040 39 V HN 0.785 nan 8.190 nan 0.000 0.428 40 S N 6.305 121.936 115.700 -0.116 0.000 2.464 40 S HA 0.559 5.029 4.470 0.001 0.000 0.313 40 S C -0.078 174.371 174.600 -0.252 0.000 1.078 40 S CA -0.583 57.578 58.200 -0.064 0.000 1.096 40 S CB -0.277 62.969 63.200 0.077 0.000 1.032 40 S HN 0.728 nan 8.310 nan 0.000 0.498 41 R N 3.622 123.913 120.500 -0.348 0.000 2.573 41 R HA 0.340 4.681 4.340 0.001 0.000 0.272 41 R C -1.682 174.486 176.300 -0.219 0.000 1.009 41 R CA -2.169 53.627 56.100 -0.508 0.000 1.059 41 R CB 0.315 30.237 30.300 -0.630 0.000 1.112 41 R HN 0.301 nan 8.270 nan 0.000 0.517 42 P HA -0.219 nan 4.420 nan 0.000 0.218 42 P C 0.165 177.437 177.300 -0.047 0.000 1.154 42 P CA 1.529 64.605 63.100 -0.041 0.000 0.872 42 P CB 0.292 31.990 31.700 -0.003 0.000 0.790 43 E N -1.318 118.843 120.200 -0.066 0.000 2.347 43 E HA 0.259 4.609 4.350 0.001 0.000 0.196 43 E C 1.296 177.872 176.600 -0.040 0.000 1.008 43 E CA 0.817 57.192 56.400 -0.042 0.000 0.852 43 E CB -0.400 29.279 29.700 -0.035 0.000 0.783 43 E HN 0.280 nan 8.360 nan 0.000 0.505 44 G N -1.134 107.633 108.800 -0.057 0.000 2.350 44 G HA2 0.072 4.032 3.960 0.001 0.000 0.282 44 G HA3 0.072 4.032 3.960 0.001 0.000 0.282 44 G C -1.477 173.394 174.900 -0.049 0.000 1.314 44 G CA -0.662 44.415 45.100 -0.039 0.000 0.915 44 G HN -0.020 nan 8.290 nan 0.000 0.499 45 V N 1.938 121.843 119.914 -0.015 0.000 2.432 45 V HA 0.585 4.705 4.120 0.001 0.000 0.275 45 V C -0.194 175.887 176.094 -0.023 0.000 1.043 45 V CA -0.430 61.870 62.300 -0.000 0.000 0.925 45 V CB 1.256 33.127 31.823 0.079 0.000 0.985 45 V HN 0.604 nan 8.190 nan 0.000 0.466 46 K N 4.511 124.893 120.400 -0.029 0.000 2.318 46 K HA 0.623 4.943 4.320 0.001 0.000 0.249 46 K C -0.710 175.923 176.600 0.055 0.000 0.942 46 K CA -0.815 55.483 56.287 0.019 0.000 0.808 46 K CB 2.839 35.404 32.500 0.108 0.000 1.189 46 K HN 0.443 nan 8.250 nan 0.000 0.428 47 I N 2.468 123.085 120.570 0.079 0.000 2.441 47 I HA 0.177 4.347 4.170 0.001 0.000 0.287 47 I C 0.409 176.769 176.117 0.405 0.000 1.049 47 I CA -0.223 61.187 61.300 0.182 0.000 1.381 47 I CB 0.402 38.507 38.000 0.175 0.000 1.409 47 I HN 0.283 nan 8.210 nan 0.000 0.523 48 I N 8.976 129.748 120.570 0.337 0.000 2.282 48 I HA 0.237 4.407 4.170 0.001 0.000 0.290 48 I C -1.997 174.275 176.117 0.259 0.000 1.090 48 I CA -1.845 59.703 61.300 0.414 0.000 1.231 48 I CB 0.375 38.642 38.000 0.445 0.000 1.434 48 I HN 0.300 nan 8.210 nan 0.000 0.487 49 P HA 0.192 nan 4.420 nan 0.000 0.272 49 P C -2.563 174.669 177.300 -0.113 0.000 1.223 49 P CA -1.564 61.520 63.100 -0.027 0.000 0.784 49 P CB -0.189 31.347 31.700 -0.273 0.000 0.923 50 P HA 0.005 nan 4.420 nan 0.000 0.268 50 P C 1.034 178.190 177.300 -0.240 0.000 1.205 50 P CA 0.183 63.202 63.100 -0.136 0.000 0.771 50 P CB 0.597 32.235 31.700 -0.104 0.000 0.858 51 Q N 2.684 122.347 119.800 -0.229 0.000 2.197 51 Q HA -0.197 4.143 4.340 0.001 0.000 0.207 51 Q C 1.603 177.440 176.000 -0.272 0.000 0.984 51 Q CA 2.227 57.850 55.803 -0.301 0.000 0.869 51 Q CB -0.247 28.369 28.738 -0.203 0.000 0.906 51 Q HN 0.569 nan 8.270 nan 0.000 0.426 52 S N -0.827 114.756 115.700 -0.195 0.000 2.603 52 S HA -0.069 4.401 4.470 0.001 0.000 0.229 52 S C 0.734 175.229 174.600 -0.175 0.000 0.972 52 S CA 0.938 59.043 58.200 -0.159 0.000 0.935 52 S CB 0.239 63.371 63.200 -0.112 0.000 0.769 52 S HN 0.321 nan 8.310 nan 0.000 0.536 53 D N 1.020 121.279 120.400 -0.235 0.000 2.454 53 D HA 0.235 4.876 4.640 0.001 0.000 0.214 53 D C 1.982 178.086 176.300 -0.327 0.000 1.088 53 D CA 0.093 53.949 54.000 -0.239 0.000 0.855 53 D CB 0.103 40.766 40.800 -0.228 0.000 1.025 53 D HN 0.349 nan 8.370 nan 0.000 0.502 54 R N 0.579 120.797 120.500 -0.470 0.000 2.075 54 R HA -0.114 4.226 4.340 0.001 0.000 0.232 54 R C 2.172 178.275 176.300 -0.328 0.000 1.126 54 R CA 1.161 56.862 56.100 -0.664 0.000 0.963 54 R CB -0.181 29.436 30.300 -1.138 0.000 0.858 54 R HN 0.208 nan 8.270 nan 0.000 0.435 55 Q N 1.628 121.288 119.800 -0.233 0.000 2.045 55 Q HA -0.251 4.089 4.340 0.001 0.000 0.206 55 Q C 2.066 178.009 176.000 -0.095 0.000 0.991 55 Q CA 1.919 57.645 55.803 -0.128 0.000 0.851 55 Q CB -0.082 28.590 28.738 -0.111 0.000 0.911 55 Q HN 0.156 nan 8.270 nan 0.000 0.418 56 K N 0.017 120.351 120.400 -0.109 0.000 2.103 56 K HA -0.161 4.159 4.320 0.001 0.000 0.207 56 K C 2.063 178.629 176.600 -0.057 0.000 1.048 56 K CA 1.600 57.842 56.287 -0.075 0.000 0.930 56 K CB -0.157 32.294 32.500 -0.081 0.000 0.716 56 K HN 0.379 nan 8.250 nan 0.000 0.444 57 I N 0.382 120.898 120.570 -0.090 0.000 2.163 57 I HA -0.272 3.899 4.170 0.001 0.000 0.240 57 I C 2.224 178.368 176.117 0.045 0.000 1.081 57 I CA 0.930 62.203 61.300 -0.045 0.000 1.353 57 I CB -0.258 37.640 38.000 -0.170 0.000 1.054 57 I HN -0.040 nan 8.210 nan 0.000 0.407 58 V N 0.846 120.802 119.914 0.071 0.000 2.332 58 V HA -0.294 3.826 4.120 0.001 0.000 0.248 58 V C 2.437 178.559 176.094 0.048 0.000 1.055 58 V CA 1.718 64.069 62.300 0.084 0.000 1.038 58 V CB -0.622 31.249 31.823 0.081 0.000 0.651 58 V HN 0.355 nan 8.190 nan 0.000 0.450 59 L N -0.339 120.894 121.223 0.016 0.000 2.046 59 L HA -0.204 4.136 4.340 0.001 0.000 0.208 59 L C 2.485 179.367 176.870 0.020 0.000 1.077 59 L CA 1.944 56.793 54.840 0.016 0.000 0.747 59 L CB -0.582 41.472 42.059 -0.008 0.000 0.896 59 L HN 0.332 nan 8.230 nan 0.000 0.432 60 Q N -1.210 118.599 119.800 0.015 0.000 2.079 60 Q HA -0.145 4.195 4.340 0.001 0.000 0.200 60 Q C 2.267 178.270 176.000 0.006 0.000 0.974 60 Q CA 1.560 57.368 55.803 0.009 0.000 0.840 60 Q CB -0.300 28.453 28.738 0.025 0.000 0.898 60 Q HN 0.677 nan 8.270 nan 0.000 0.430 61 A N 0.374 123.215 122.820 0.036 0.000 1.858 61 A HA -0.270 4.051 4.320 0.001 0.000 0.216 61 A C 1.798 179.377 177.584 -0.009 0.000 1.190 61 A CA 1.968 54.024 52.037 0.030 0.000 0.617 61 A CB -0.991 18.046 19.000 0.062 0.000 0.827 61 A HN 0.508 nan 8.150 nan 0.000 0.443 62 H N 0.452 119.475 119.070 -0.080 0.000 2.353 62 H HA -0.119 4.438 4.556 0.000 0.000 0.298 62 H C 1.646 176.819 175.328 -0.259 0.000 1.103 62 H CA 2.139 58.106 56.048 -0.135 0.000 1.293 62 H CB -0.124 29.559 29.762 -0.131 0.000 1.372 62 H HN 0.407 nan 8.280 nan 0.000 0.501 63 N N 0.175 118.679 118.700 -0.326 0.000 2.512 63 N HA -0.072 4.669 4.740 0.001 0.000 0.183 63 N C 1.857 177.166 175.510 -0.335 0.000 1.073 63 N CA 0.657 53.398 53.050 -0.515 0.000 0.911 63 N CB -0.130 38.217 38.487 -0.234 0.000 0.964 63 N HN 0.430 nan 8.380 nan 0.000 0.447 64 L N -0.198 120.900 121.223 -0.208 0.000 2.012 64 L HA -0.135 4.205 4.340 0.001 0.000 0.210 64 L C 1.509 178.323 176.870 -0.093 0.000 1.073 64 L CA 1.625 56.401 54.840 -0.107 0.000 0.748 64 L CB -0.193 41.825 42.059 -0.068 0.000 0.891 64 L HN 0.135 nan 8.230 nan 0.000 0.431 65 A N -3.754 118.983 122.820 -0.138 0.000 2.661 65 A HA 0.176 4.497 4.320 0.001 0.000 0.278 65 A C 0.046 177.595 177.584 -0.059 0.000 1.090 65 A CA -0.393 51.608 52.037 -0.060 0.000 0.969 65 A CB -0.086 18.893 19.000 -0.034 0.000 1.240 65 A HN 0.441 nan 8.150 nan 0.000 0.578 66 H N 1.568 120.415 119.070 -0.372 0.000 2.748 66 H HA -0.142 4.414 4.556 0.001 0.000 0.322 66 H C 0.330 175.444 175.328 -0.356 0.000 1.208 66 H CA 1.233 56.897 56.048 -0.641 0.000 1.151 66 H CB -1.918 27.692 29.762 -0.254 0.000 1.505 66 H HN 0.748 nan 8.280 nan 0.000 0.429 67 T N -2.107 112.295 114.554 -0.253 0.000 2.882 67 T HA 0.529 4.879 4.350 0.001 0.000 0.287 67 T C 1.346 176.150 174.700 0.173 0.000 1.014 67 T CA -0.251 61.852 62.100 0.005 0.000 1.049 67 T CB 2.433 71.295 68.868 -0.011 0.000 1.001 67 T HN 0.391 nan 8.240 nan 0.000 0.525 68 G N -0.012 108.863 108.800 0.126 0.000 2.504 68 G HA2 0.249 4.209 3.960 0.001 0.000 0.257 68 G HA3 0.249 4.209 3.960 0.001 0.000 0.257 68 G C 0.840 175.785 174.900 0.075 0.000 1.451 68 G CA -0.641 44.532 45.100 0.122 0.000 1.059 68 G HN 0.814 nan 8.290 nan 0.000 0.550 69 R N -0.528 120.001 120.500 0.049 0.000 2.096 69 R HA -0.091 4.249 4.340 0.001 0.000 0.229 69 R C 2.418 178.717 176.300 -0.000 0.000 1.134 69 R CA 1.821 57.926 56.100 0.008 0.000 0.917 69 R CB -0.458 29.849 30.300 0.013 0.000 0.832 69 R HN 0.531 nan 8.270 nan 0.000 0.430 70 E N 0.360 120.564 120.200 0.005 0.000 2.051 70 E HA -0.161 4.189 4.350 0.001 0.000 0.192 70 E C 1.897 178.495 176.600 -0.002 0.000 0.991 70 E CA 1.369 57.766 56.400 -0.004 0.000 0.799 70 E CB -0.436 29.264 29.700 0.001 0.000 0.748 70 E HN 0.473 nan 8.360 nan 0.000 0.449 71 A N 0.891 123.717 122.820 0.010 0.000 1.972 71 A HA -0.150 4.170 4.320 0.001 0.000 0.219 71 A C 2.404 179.992 177.584 0.006 0.000 1.169 71 A CA 2.039 54.081 52.037 0.008 0.000 0.635 71 A CB -0.740 18.268 19.000 0.012 0.000 0.810 71 A HN 0.263 nan 8.150 nan 0.000 0.446 72 T N -0.084 114.480 114.554 0.017 0.000 2.770 72 T HA -0.073 4.277 4.350 0.001 0.000 0.263 72 T C 1.864 176.559 174.700 -0.008 0.000 1.039 72 T CA 1.241 63.354 62.100 0.021 0.000 1.142 72 T CB -0.435 68.469 68.868 0.059 0.000 0.868 72 T HN 0.335 nan 8.240 nan 0.000 0.435 73 L N 1.123 122.327 121.223 -0.033 0.000 1.997 73 L HA -0.101 4.240 4.340 0.001 0.000 0.216 73 L C 2.220 179.057 176.870 -0.056 0.000 1.074 73 L CA 1.692 56.489 54.840 -0.072 0.000 0.763 73 L CB -0.637 41.369 42.059 -0.088 0.000 0.890 73 L HN 0.213 nan 8.230 nan 0.000 0.434 74 L N -0.659 120.545 121.223 -0.032 0.000 2.127 74 L HA -0.235 4.106 4.340 0.001 0.000 0.211 74 L C 2.659 179.521 176.870 -0.014 0.000 1.089 74 L CA 1.124 55.951 54.840 -0.022 0.000 0.757 74 L CB -0.670 41.381 42.059 -0.014 0.000 0.899 74 L HN 0.252 nan 8.230 nan 0.000 0.434 75 K N 0.178 120.575 120.400 -0.005 0.000 2.001 75 K HA -0.072 4.248 4.320 0.001 0.000 0.208 75 K C 2.085 178.703 176.600 0.031 0.000 1.048 75 K CA 1.438 57.732 56.287 0.011 0.000 0.932 75 K CB -0.370 32.140 32.500 0.017 0.000 0.715 75 K HN 0.286 nan 8.250 nan 0.000 0.437 76 I N 1.232 121.825 120.570 0.040 0.000 2.208 76 I HA -0.274 3.896 4.170 0.001 0.000 0.245 76 I C 2.377 178.537 176.117 0.072 0.000 1.097 76 I CA 1.292 62.656 61.300 0.105 0.000 1.363 76 I CB -0.439 37.567 38.000 0.011 0.000 1.051 76 I HN 0.058 nan 8.210 nan 0.000 0.413 77 A N 0.753 123.562 122.820 -0.017 0.000 2.076 77 A HA -0.210 4.110 4.320 0.001 0.000 0.220 77 A C 1.975 179.552 177.584 -0.012 0.000 1.160 77 A CA 1.657 53.682 52.037 -0.020 0.000 0.653 77 A CB -0.677 18.303 19.000 -0.034 0.000 0.801 77 A HN 0.430 nan 8.150 nan 0.000 0.455 78 N N -0.221 118.466 118.700 -0.022 0.000 2.149 78 N HA -0.086 4.654 4.740 0.001 0.000 0.188 78 N C 1.446 176.896 175.510 -0.100 0.000 1.019 78 N CA 1.453 54.476 53.050 -0.045 0.000 0.857 78 N CB -0.203 38.262 38.487 -0.036 0.000 0.997 78 N HN 0.565 nan 8.380 nan 0.000 0.426 79 L N -2.183 118.929 121.223 -0.184 0.000 2.547 79 L HA 0.188 4.528 4.340 0.001 0.000 0.218 79 L C -0.200 176.373 176.870 -0.495 0.000 1.048 79 L CA 0.167 54.737 54.840 -0.451 0.000 0.859 79 L CB 0.163 41.728 42.059 -0.824 0.000 1.128 79 L HN -0.020 nan 8.230 nan 0.000 0.483 80 Y N -1.912 118.440 120.300 0.087 0.000 2.587 80 Y HA 0.415 4.965 4.550 0.000 0.000 0.337 80 Y C -0.794 175.197 175.900 0.151 0.000 1.065 80 Y CA -1.109 57.086 58.100 0.158 0.000 1.126 80 Y CB 1.445 40.064 38.460 0.266 0.000 1.279 80 Y HN -0.094 nan 8.280 nan 0.000 0.489 81 W N 2.538 123.983 121.300 0.242 0.000 3.138 81 W HA 0.595 5.255 4.660 0.001 0.000 0.331 81 W C -2.213 174.471 176.519 0.274 0.000 1.166 81 W CA -1.181 56.206 57.345 0.070 0.000 1.212 81 W CB 1.406 30.872 29.460 0.010 0.000 1.399 81 W HN 0.640 nan 8.180 nan 0.000 0.514 82 W N 4.008 124.653 121.300 -1.092 0.000 2.959 82 W HA 0.753 5.413 4.660 0.000 0.000 0.358 82 W C -3.073 172.353 176.519 -1.822 0.000 1.228 82 W CA -2.511 54.076 57.345 -1.263 0.000 1.183 82 W CB -0.051 29.127 29.460 -0.470 0.000 1.467 82 W HN 0.157 nan 8.180 nan 0.000 0.578 83 P HA 0.112 nan 4.420 nan 0.000 0.271 83 P C -0.439 176.655 177.300 -0.344 0.000 1.220 83 P CA 0.437 63.160 63.100 -0.630 0.000 0.768 83 P CB 0.430 31.857 31.700 -0.454 0.000 0.848 84 N N 1.819 120.330 118.700 -0.316 0.000 2.738 84 N HA -0.188 4.552 4.740 0.001 0.000 0.249 84 N C 0.832 176.205 175.510 -0.227 0.000 1.047 84 N CA 0.639 53.574 53.050 -0.193 0.000 0.707 84 N CB -1.403 37.032 38.487 -0.087 0.000 0.937 84 N HN 0.548 nan 8.380 nan 0.000 0.545 85 M N 0.030 119.333 119.600 -0.496 0.000 2.082 85 M HA -0.196 4.285 4.480 0.001 0.000 0.258 85 M C 2.105 178.239 176.300 -0.277 0.000 1.069 85 M CA 1.940 56.855 55.300 -0.642 0.000 1.102 85 M CB -0.197 31.817 32.600 -0.977 0.000 1.336 85 M HN 0.248 nan 8.290 nan 0.000 0.404 86 R N 0.169 120.540 120.500 -0.215 0.000 2.120 86 R HA -0.112 4.228 4.340 0.001 0.000 0.234 86 R C 2.139 178.388 176.300 -0.084 0.000 1.123 86 R CA 1.157 57.179 56.100 -0.130 0.000 0.975 86 R CB -0.245 29.995 30.300 -0.100 0.000 0.866 86 R HN 0.397 nan 8.270 nan 0.000 0.446 87 K N 0.339 120.699 120.400 -0.066 0.000 2.103 87 K HA -0.148 4.173 4.320 0.001 0.000 0.207 87 K C 1.439 178.023 176.600 -0.027 0.000 1.048 87 K CA 1.484 57.748 56.287 -0.039 0.000 0.930 87 K CB 0.010 32.494 32.500 -0.026 0.000 0.716 87 K HN 0.199 nan 8.250 nan 0.000 0.444 88 D N 0.241 120.650 120.400 0.017 0.000 2.149 88 D HA -0.101 4.540 4.640 0.001 0.000 0.201 88 D C 2.013 178.307 176.300 -0.010 0.000 0.972 88 D CA 0.818 54.845 54.000 0.045 0.000 0.835 88 D CB -0.091 40.831 40.800 0.204 0.000 0.966 88 D HN -0.061 nan 8.370 nan 0.000 0.476 89 V N 1.152 121.046 119.914 -0.034 0.000 2.255 89 V HA -0.219 3.902 4.120 0.001 0.000 0.247 89 V C 2.740 178.737 176.094 -0.162 0.000 1.051 89 V CA 1.146 63.396 62.300 -0.083 0.000 1.018 89 V CB -0.531 31.241 31.823 -0.086 0.000 0.641 89 V HN 0.042 nan 8.190 nan 0.000 0.445 90 V N -0.317 119.501 119.914 -0.160 0.000 2.392 90 V HA -0.312 3.808 4.120 0.001 0.000 0.249 90 V C 2.445 178.390 176.094 -0.249 0.000 1.059 90 V CA 2.273 64.425 62.300 -0.246 0.000 1.051 90 V CB -0.702 31.046 31.823 -0.125 0.000 0.658 90 V HN 0.543 nan 8.190 nan 0.000 0.455 91 K N -0.606 119.708 120.400 -0.144 0.000 2.044 91 K HA -0.256 4.065 4.320 0.001 0.000 0.210 91 K C 2.327 178.836 176.600 -0.151 0.000 1.049 91 K CA 1.673 57.892 56.287 -0.114 0.000 0.927 91 K CB -0.076 32.380 32.500 -0.073 0.000 0.713 91 K HN 0.392 nan 8.250 nan 0.000 0.443 92 Q N 0.364 120.056 119.800 -0.181 0.000 2.123 92 Q HA -0.065 4.275 4.340 0.001 0.000 0.199 92 Q C 2.248 178.054 176.000 -0.323 0.000 0.966 92 Q CA 0.947 56.622 55.803 -0.214 0.000 0.845 92 Q CB -0.097 28.521 28.738 -0.201 0.000 0.907 92 Q HN 0.389 nan 8.270 nan 0.000 0.439 93 L N -0.377 120.585 121.223 -0.434 0.000 2.042 93 L HA -0.136 4.204 4.340 0.001 0.000 0.210 93 L C 2.248 178.934 176.870 -0.307 0.000 1.076 93 L CA 1.352 55.884 54.840 -0.514 0.000 0.749 93 L CB -0.887 40.700 42.059 -0.786 0.000 0.893 93 L HN 0.263 nan 8.230 nan 0.000 0.432 94 G N -0.504 108.130 108.800 -0.278 0.000 2.509 94 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 94 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 94 G C 1.670 176.548 174.900 -0.037 0.000 1.124 94 G CA 0.154 45.239 45.100 -0.024 0.000 0.776 94 G HN 0.331 nan 8.290 nan 0.000 0.547 95 R N -1.188 119.261 120.500 -0.085 0.000 2.397 95 R HA 0.172 4.512 4.340 0.001 0.000 0.241 95 R C 0.008 176.282 176.300 -0.044 0.000 0.914 95 R CA -0.350 55.715 56.100 -0.059 0.000 1.071 95 R CB 0.268 30.529 30.300 -0.064 0.000 1.116 95 R HN 0.221 nan 8.270 nan 0.000 0.524 96 C N 1.990 121.258 119.300 -0.053 0.000 2.289 96 C HA 0.133 4.593 4.460 0.001 0.000 0.340 96 C C 1.800 176.815 174.990 0.041 0.000 1.152 96 C CA -0.584 58.443 59.018 0.014 0.000 1.650 96 C CB 0.092 27.850 27.740 0.030 0.000 2.203 96 C HN 0.471 nan 8.230 nan 0.000 0.511 97 Q N 2.616 122.435 119.800 0.031 0.000 2.062 97 Q HA -0.244 4.097 4.340 0.001 0.000 0.209 97 Q C 2.075 178.087 176.000 0.021 0.000 0.996 97 Q CA 2.415 58.228 55.803 0.015 0.000 0.859 97 Q CB -0.089 28.654 28.738 0.008 0.000 0.920 97 Q HN 0.910 nan 8.270 nan 0.000 0.415 98 Q N -1.467 118.347 119.800 0.023 0.000 2.096 98 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 98 Q C 2.379 178.372 176.000 -0.012 0.000 0.982 98 Q CA 1.738 57.519 55.803 -0.036 0.000 0.850 98 Q CB -0.268 28.375 28.738 -0.159 0.000 0.901 98 Q HN 0.465 nan 8.270 nan 0.000 0.422 99 C N 0.110 119.454 119.300 0.074 0.000 2.446 99 C HA -0.092 4.368 4.460 0.001 0.000 0.277 99 C C 2.488 177.512 174.990 0.057 0.000 1.275 99 C CA 0.478 59.562 59.018 0.110 0.000 1.727 99 C CB -0.935 26.943 27.740 0.230 0.000 2.010 99 C HN 0.495 nan 8.230 nan 0.000 0.486 100 L N 1.204 122.448 121.223 0.035 0.000 2.083 100 L HA -0.127 4.214 4.340 0.001 0.000 0.209 100 L C 2.283 179.138 176.870 -0.025 0.000 1.083 100 L CA 1.677 56.506 54.840 -0.017 0.000 0.752 100 L CB -0.527 41.520 42.059 -0.021 0.000 0.899 100 L HN 0.519 nan 8.230 nan 0.000 0.433 101 I N -5.435 115.157 120.570 0.037 0.000 3.783 101 I HA 0.039 4.210 4.170 0.001 0.000 0.310 101 I C 1.661 177.889 176.117 0.185 0.000 1.274 101 I CA 0.431 61.800 61.300 0.116 0.000 1.294 101 I CB -0.004 38.047 38.000 0.085 0.000 1.051 101 I HN -0.057 nan 8.210 nan 0.000 0.435 102 T N 0.341 114.967 114.554 0.119 0.000 3.042 102 T HA 0.189 4.539 4.350 0.001 0.000 0.245 102 T C 0.799 175.597 174.700 0.164 0.000 1.029 102 T CA -0.056 62.118 62.100 0.123 0.000 1.120 102 T CB -0.201 68.689 68.868 0.037 0.000 0.917 102 T HN 0.230 nan 8.240 nan 0.000 0.467 103 N N 2.016 120.778 118.700 0.104 0.000 2.416 103 N HA 0.427 5.167 4.740 0.001 0.000 0.246 103 N C -0.049 175.531 175.510 0.117 0.000 1.260 103 N CA -0.050 53.047 53.050 0.080 0.000 0.897 103 N CB 0.356 38.858 38.487 0.025 0.000 1.110 103 N HN 0.385 nan 8.380 nan 0.000 0.439 104 A N 0.482 123.377 122.820 0.124 0.000 2.313 104 A HA 0.333 4.653 4.320 0.001 0.000 0.261 104 A C 0.673 178.246 177.584 -0.018 0.000 1.090 104 A CA -0.370 51.771 52.037 0.173 0.000 0.807 104 A CB 0.227 19.317 19.000 0.150 0.000 1.055 104 A HN 0.559 nan 8.150 nan 0.000 0.492 105 S N -0.166 115.503 115.700 -0.051 0.000 2.603 105 S HA 0.278 4.749 4.470 0.001 0.000 0.268 105 S C 0.573 175.141 174.600 -0.052 0.000 1.317 105 S CA -0.044 58.058 58.200 -0.163 0.000 1.012 105 S CB 0.110 63.193 63.200 -0.194 0.000 0.926 105 S HN 0.870 nan 8.310 nan 0.000 0.539 106 N N 1.422 120.074 118.700 -0.079 0.000 2.299 106 N HA 0.237 4.977 4.740 0.001 0.000 0.246 106 N C -1.385 174.119 175.510 -0.010 0.000 1.254 106 N CA -0.446 52.589 53.050 -0.024 0.000 0.879 106 N CB 0.034 38.506 38.487 -0.026 0.000 1.214 106 N HN 0.288 nan 8.380 nan 0.000 0.510 107 K N 0.591 120.981 120.400 -0.018 0.000 2.323 107 K HA 0.720 5.041 4.320 0.001 0.000 0.259 107 K C -0.484 176.240 176.600 0.207 0.000 0.947 107 K CA -0.545 55.782 56.287 0.065 0.000 0.819 107 K CB 2.235 34.734 32.500 -0.001 0.000 1.109 107 K HN 0.254 nan 8.250 nan 0.000 0.429 108 A N 1.828 124.781 122.820 0.221 0.000 2.332 108 A HA 0.368 4.688 4.320 0.001 0.000 0.258 108 A C -0.010 177.742 177.584 0.280 0.000 1.087 108 A CA -0.336 51.835 52.037 0.224 0.000 0.802 108 A CB 0.419 19.497 19.000 0.131 0.000 1.042 108 A HN 0.667 nan 8.150 nan 0.000 0.489 109 S N -0.241 115.563 115.700 0.173 0.000 2.566 109 S HA 0.357 4.827 4.470 0.001 0.000 0.280 109 S C 1.030 175.557 174.600 -0.121 0.000 1.343 109 S CA 0.276 58.440 58.200 -0.061 0.000 1.036 109 S CB 0.435 63.636 63.200 0.000 0.000 0.866 109 S HN 1.132 nan 8.310 nan 0.000 0.526 110 G N 2.250 110.890 108.800 -0.267 0.000 2.636 110 G HA2 0.372 4.332 3.960 0.001 0.000 0.246 110 G HA3 0.372 4.332 3.960 0.001 0.000 0.246 110 G C -2.612 172.237 174.900 -0.085 0.000 1.216 110 G CA -1.094 43.908 45.100 -0.164 0.000 0.854 110 G HN 0.461 nan 8.290 nan 0.000 0.572 111 P HA 0.107 nan 4.420 nan 0.000 0.268 111 P C 0.683 177.972 177.300 -0.018 0.000 1.205 111 P CA -0.066 63.022 63.100 -0.021 0.000 0.771 111 P CB 0.610 32.303 31.700 -0.013 0.000 0.858 112 I N 0.048 120.618 120.570 0.001 0.000 2.892 112 I HA 0.098 4.268 4.170 0.001 0.000 0.287 112 I C 0.033 176.156 176.117 0.010 0.000 1.205 112 I CA -0.248 61.060 61.300 0.014 0.000 1.409 112 I CB -0.244 37.770 38.000 0.025 0.000 1.367 112 I HN 0.129 nan 8.210 nan 0.000 0.597 113 L N 4.694 125.931 121.223 0.022 0.000 2.375 113 L HA 0.425 4.765 4.340 0.001 0.000 0.271 113 L C 0.213 177.101 176.870 0.030 0.000 1.107 113 L CA -0.680 54.176 54.840 0.027 0.000 0.806 113 L CB 0.663 42.744 42.059 0.037 0.000 1.146 113 L HN 0.587 nan 8.230 nan 0.000 0.447 114 R N 2.416 122.939 120.500 0.039 0.000 2.575 114 R HA 0.350 4.690 4.340 0.001 0.000 0.281 114 R C -2.443 173.951 176.300 0.157 0.000 1.272 114 R CA -2.196 53.926 56.100 0.036 0.000 1.417 114 R CB 0.090 30.346 30.300 -0.073 0.000 1.121 114 R HN 0.291 nan 8.270 nan 0.000 0.583 115 P HA -0.058 nan 4.420 nan 0.000 0.266 115 P C -0.175 177.236 177.300 0.186 0.000 1.193 115 P CA 0.140 63.319 63.100 0.132 0.000 0.770 115 P CB 0.615 32.385 31.700 0.115 0.000 0.836 116 D N 1.413 121.830 120.400 0.028 0.000 2.472 116 D HA -0.027 4.613 4.640 0.001 0.000 0.237 116 D C 0.740 177.035 176.300 -0.007 0.000 1.141 116 D CA 0.392 54.299 54.000 -0.156 0.000 0.875 116 D CB 0.361 41.065 40.800 -0.160 0.000 1.192 116 D HN 0.247 nan 8.370 nan 0.000 0.450 117 R N 2.558 123.039 120.500 -0.032 0.000 2.489 117 R HA 0.115 4.456 4.340 0.001 0.000 0.287 117 R C -2.177 174.142 176.300 0.033 0.000 1.053 117 R CA -1.079 55.061 56.100 0.066 0.000 1.036 117 R CB 0.185 30.537 30.300 0.087 0.000 0.966 117 R HN 0.123 nan 8.270 nan 0.000 0.432 118 P HA -0.088 nan 4.420 nan 0.000 0.263 118 P C -0.196 177.118 177.300 0.023 0.000 1.175 118 P CA 0.341 63.476 63.100 0.059 0.000 0.761 118 P CB 0.586 32.344 31.700 0.098 0.000 0.794 119 Q N 1.316 121.119 119.800 0.005 0.000 2.119 119 Q HA -0.096 4.245 4.340 0.001 0.000 0.201 119 Q C 0.144 176.139 176.000 -0.009 0.000 0.972 119 Q CA 1.435 57.232 55.803 -0.010 0.000 0.847 119 Q CB 0.124 28.853 28.738 -0.015 0.000 0.903 119 Q HN 0.453 nan 8.270 nan 0.000 0.433 120 K N -0.061 120.339 120.400 -0.001 0.000 2.385 120 K HA 0.385 4.705 4.320 0.001 0.000 0.248 120 K C -2.724 173.866 176.600 -0.017 0.000 0.955 120 K CA -2.327 53.958 56.287 -0.004 0.000 0.816 120 K CB 2.011 34.521 32.500 0.017 0.000 1.250 120 K HN -0.242 nan 8.250 nan 0.000 0.434 121 P HA 0.003 nan 4.420 nan 0.000 0.266 121 P C -0.599 176.638 177.300 -0.105 0.000 1.195 121 P CA 0.444 63.399 63.100 -0.242 0.000 0.768 121 P CB 0.058 31.541 31.700 -0.362 0.000 0.838 122 F N -0.638 119.369 119.950 0.094 0.000 2.656 122 F HA -0.278 4.250 4.527 0.000 0.000 0.381 122 F C 1.371 177.071 175.800 -0.166 0.000 0.603 122 F CA 0.835 58.787 58.000 -0.080 0.000 1.335 122 F CB -2.017 36.916 39.000 -0.113 0.000 1.836 122 F HN 0.271 nan 8.300 nan 0.000 0.290 123 D N 0.716 121.142 120.400 0.043 0.000 2.123 123 D HA -0.068 4.572 4.640 0.001 0.000 0.196 123 D C 1.009 177.285 176.300 -0.042 0.000 0.992 123 D CA 1.757 55.755 54.000 -0.003 0.000 0.833 123 D CB 0.054 40.862 40.800 0.012 0.000 0.954 123 D HN 0.367 nan 8.370 nan 0.000 0.455 124 K N -0.288 120.111 120.400 -0.001 0.000 2.581 124 K HA 0.175 4.496 4.320 0.001 0.000 0.249 124 K C -1.487 175.212 176.600 0.165 0.000 0.966 124 K CA -0.542 55.725 56.287 -0.032 0.000 0.811 124 K CB 1.157 33.615 32.500 -0.069 0.000 1.223 124 K HN -0.287 nan 8.250 nan 0.000 0.438 125 F N 3.201 123.086 119.950 -0.108 0.000 2.399 125 F HA 0.469 4.996 4.527 0.000 0.000 0.334 125 F C -0.016 175.645 175.800 -0.231 0.000 1.097 125 F CA -0.914 57.063 58.000 -0.039 0.000 1.076 125 F CB 0.663 39.668 39.000 0.008 0.000 1.162 125 F HN 0.324 nan 8.300 nan 0.000 0.495 126 F N 3.872 123.932 119.950 0.183 0.000 2.444 126 F HA 0.547 5.074 4.527 0.000 0.000 0.342 126 F C 0.269 176.065 175.800 -0.007 0.000 1.121 126 F CA -0.834 57.205 58.000 0.066 0.000 0.997 126 F CB 1.342 40.340 39.000 -0.002 0.000 1.130 126 F HN 0.252 nan 8.300 nan 0.000 0.454 127 I N -0.164 120.428 120.570 0.037 0.000 2.740 127 I HA 0.880 5.050 4.170 0.001 0.000 0.303 127 I C -1.594 174.433 176.117 -0.149 0.000 1.044 127 I CA -0.616 60.614 61.300 -0.116 0.000 1.064 127 I CB 2.402 40.241 38.000 -0.269 0.000 1.249 127 I HN 0.447 nan 8.210 nan 0.000 0.433 128 D N 2.119 122.484 120.400 -0.058 0.000 2.683 128 D HA 0.419 5.059 4.640 0.001 0.000 0.246 128 D C -2.023 174.314 176.300 0.062 0.000 1.238 128 D CA -0.304 53.769 54.000 0.123 0.000 0.759 128 D CB 1.694 42.567 40.800 0.122 0.000 1.349 128 D HN 0.543 nan 8.370 nan 0.000 0.426 129 Y N 0.576 121.025 120.300 0.248 0.000 2.387 129 Y HA 0.607 5.157 4.550 0.001 0.000 0.330 129 Y C 0.220 176.204 175.900 0.141 0.000 1.133 129 Y CA -0.554 57.655 58.100 0.182 0.000 1.152 129 Y CB 1.466 40.005 38.460 0.131 0.000 1.215 129 Y HN 0.209 nan 8.280 nan 0.000 0.466 130 I N 2.221 122.976 120.570 0.308 0.000 2.441 130 I HA 0.726 4.896 4.170 0.001 0.000 0.295 130 I C 0.275 176.490 176.117 0.163 0.000 0.994 130 I CA -0.153 61.237 61.300 0.151 0.000 1.144 130 I CB 1.531 39.535 38.000 0.006 0.000 1.314 130 I HN 0.801 nan 8.210 nan 0.000 0.445 131 G N 6.374 115.187 108.800 0.021 0.000 2.361 131 G HA2 0.068 4.028 3.960 0.001 0.000 0.331 131 G HA3 0.068 4.028 3.960 0.001 0.000 0.331 131 G C -3.203 171.566 174.900 -0.219 0.000 1.324 131 G CA -1.016 43.912 45.100 -0.288 0.000 0.984 131 G HN 0.396 nan 8.290 nan 0.000 0.586 132 P HA 0.535 nan 4.420 nan 0.000 0.275 132 P C -0.148 176.920 177.300 -0.386 0.000 1.227 132 P CA -0.160 62.474 63.100 -0.776 0.000 0.781 132 P CB 0.990 32.425 31.700 -0.442 0.000 0.906 133 L N 3.610 124.629 121.223 -0.340 0.000 2.365 133 L HA 0.471 4.811 4.340 0.001 0.000 0.267 133 L C -2.055 174.846 176.870 0.053 0.000 1.033 133 L CA -2.630 52.088 54.840 -0.202 0.000 0.802 133 L CB 1.040 42.784 42.059 -0.524 0.000 1.267 133 L HN 0.201 nan 8.230 nan 0.000 0.457 134 P HA 0.084 nan 4.420 nan 0.000 0.265 134 P C -2.510 174.997 177.300 0.346 0.000 1.193 134 P CA -0.917 62.301 63.100 0.197 0.000 0.765 134 P CB -0.404 31.407 31.700 0.186 0.000 0.823 135 P HA 0.017 nan 4.420 nan 0.000 0.262 135 P C -0.190 177.153 177.300 0.071 0.000 1.182 135 P CA 0.697 63.892 63.100 0.159 0.000 0.761 135 P CB 0.363 32.102 31.700 0.065 0.000 0.795 136 S N 3.016 118.671 115.700 -0.075 0.000 2.707 136 S HA 0.134 4.604 4.470 0.001 0.000 0.303 136 S C -0.164 174.268 174.600 -0.281 0.000 1.132 136 S CA -0.422 57.561 58.200 -0.362 0.000 1.046 136 S CB 0.050 62.578 63.200 -1.119 0.000 1.004 136 S HN 0.469 nan 8.310 nan 0.000 0.483 137 Q N 2.656 122.316 119.800 -0.233 0.000 2.435 137 Q HA -0.253 4.088 4.340 0.001 0.000 0.286 137 Q C 0.966 176.869 176.000 -0.162 0.000 1.229 137 Q CA 1.153 56.816 55.803 -0.233 0.000 0.884 137 Q CB -2.178 26.265 28.738 -0.492 0.000 1.245 137 Q HN 1.697 nan 8.270 nan 0.000 0.488 138 G N -1.602 107.115 108.800 -0.138 0.000 2.179 138 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 138 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 138 G C -0.238 174.517 174.900 -0.242 0.000 0.977 138 G CA 0.449 45.432 45.100 -0.195 0.000 0.641 138 G HN 0.392 nan 8.290 nan 0.000 0.533 139 Y N -0.930 119.362 120.300 -0.014 0.000 2.361 139 Y HA 0.698 5.248 4.550 0.001 0.000 0.332 139 Y C 1.402 177.518 175.900 0.360 0.000 1.101 139 Y CA -0.620 57.582 58.100 0.171 0.000 1.137 139 Y CB 1.489 40.061 38.460 0.186 0.000 1.207 139 Y HN -0.030 nan 8.280 nan 0.000 0.463 140 L N 1.295 122.871 121.223 0.589 0.000 2.902 140 L HA 0.279 4.619 4.340 0.001 0.000 0.254 140 L C -0.949 175.968 176.870 0.078 0.000 1.115 140 L CA -0.012 55.034 54.840 0.344 0.000 0.947 140 L CB 0.580 42.714 42.059 0.125 0.000 1.369 140 L HN 0.560 nan 8.230 nan 0.000 0.538 141 Y N -1.030 119.502 120.300 0.387 0.000 2.602 141 Y HA 0.618 5.168 4.550 0.000 0.000 0.342 141 Y C -0.328 175.768 175.900 0.326 0.000 1.029 141 Y CA -1.078 57.172 58.100 0.251 0.000 1.080 141 Y CB 2.210 40.779 38.460 0.182 0.000 1.284 141 Y HN -0.473 nan 8.280 nan 0.000 0.485 142 V N 2.693 122.847 119.914 0.400 0.000 2.588 142 V HA 0.323 4.444 4.120 0.001 0.000 0.304 142 V C -1.061 175.177 176.094 0.241 0.000 1.042 142 V CA -0.795 61.675 62.300 0.283 0.000 0.877 142 V CB 1.899 33.749 31.823 0.045 0.000 0.996 142 V HN 0.516 nan 8.190 nan 0.000 0.425 143 L N 6.641 127.947 121.223 0.138 0.000 2.281 143 L HA 0.605 4.946 4.340 0.001 0.000 0.285 143 L C -0.419 176.459 176.870 0.014 0.000 1.074 143 L CA 0.414 55.133 54.840 -0.202 0.000 0.817 143 L CB 1.295 43.246 42.059 -0.180 0.000 1.168 143 L HN 0.464 nan 8.230 nan 0.000 0.434 144 V N 6.020 125.903 119.914 -0.051 0.000 2.417 144 V HA 0.525 4.645 4.120 0.001 0.000 0.291 144 V C -0.397 175.715 176.094 0.029 0.000 1.024 144 V CA -0.665 61.648 62.300 0.023 0.000 0.861 144 V CB 1.687 33.509 31.823 -0.001 0.000 0.985 144 V HN 0.519 nan 8.190 nan 0.000 0.436 145 V N 5.428 125.404 119.914 0.103 0.000 2.444 145 V HA 0.533 4.653 4.120 0.001 0.000 0.294 145 V C -0.413 175.735 176.094 0.090 0.000 1.022 145 V CA -0.572 61.760 62.300 0.054 0.000 0.850 145 V CB 1.956 33.788 31.823 0.015 0.000 0.992 145 V HN 0.594 nan 8.190 nan 0.000 0.426 146 V N 3.429 123.373 119.914 0.050 0.000 2.443 146 V HA 0.315 4.435 4.120 0.001 0.000 0.293 146 V C -0.325 175.863 176.094 0.156 0.000 1.021 146 V CA -0.640 61.713 62.300 0.089 0.000 0.848 146 V CB 1.873 33.737 31.823 0.067 0.000 0.998 146 V HN 0.999 nan 8.190 nan 0.000 0.424 147 D N 3.950 124.449 120.400 0.165 0.000 2.401 147 D HA 0.262 4.902 4.640 0.001 0.000 0.254 147 D C 1.424 177.873 176.300 0.249 0.000 1.192 147 D CA 0.843 55.011 54.000 0.280 0.000 0.885 147 D CB 1.783 42.722 40.800 0.232 0.000 1.147 147 D HN 0.570 nan 8.370 nan 0.000 0.478 148 G N 3.865 112.876 108.800 0.352 0.000 2.440 148 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 148 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 148 G C 1.294 176.294 174.900 0.166 0.000 1.154 148 G CA 0.479 45.785 45.100 0.342 0.000 0.767 148 G HN 0.555 nan 8.290 nan 0.000 0.552 149 M N 1.541 121.207 119.600 0.110 0.000 2.123 149 M HA -0.052 4.428 4.480 0.001 0.000 0.263 149 M C 2.624 178.935 176.300 0.019 0.000 1.069 149 M CA 2.303 57.630 55.300 0.046 0.000 1.133 149 M CB -0.773 31.828 32.600 0.002 0.000 1.356 149 M HN 0.379 nan 8.290 nan 0.000 0.415 150 T N -3.670 110.883 114.554 -0.000 0.000 3.040 150 T HA 0.303 4.654 4.350 0.001 0.000 0.252 150 T C 1.536 176.246 174.700 0.017 0.000 1.064 150 T CA 1.056 63.146 62.100 -0.017 0.000 1.110 150 T CB 0.028 68.851 68.868 -0.074 0.000 0.921 150 T HN 0.590 nan 8.240 nan 0.000 0.480 151 G N 1.015 109.833 108.800 0.029 0.000 2.199 151 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 151 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 151 G C -0.019 174.859 174.900 -0.037 0.000 0.982 151 G CA -0.009 45.089 45.100 -0.003 0.000 0.632 151 G HN 0.659 nan 8.290 nan 0.000 0.529 152 F N 2.781 122.615 119.950 -0.193 0.000 2.607 152 F HA 0.455 4.983 4.527 0.000 0.000 0.374 152 F C 0.733 176.284 175.800 -0.417 0.000 1.104 152 F CA 1.485 59.275 58.000 -0.350 0.000 1.296 152 F CB 0.750 39.465 39.000 -0.475 0.000 1.085 152 F HN 0.051 nan 8.300 nan 0.000 0.584 153 T N 5.866 119.972 114.554 -0.747 0.000 2.876 153 T HA 0.305 4.656 4.350 0.001 0.000 0.289 153 T C -1.142 173.269 174.700 -0.481 0.000 1.014 153 T CA -0.522 61.341 62.100 -0.396 0.000 0.986 153 T CB 1.102 69.791 68.868 -0.299 0.000 1.021 153 T HN 0.476 nan 8.240 nan 0.000 0.458 154 W N 2.689 123.937 121.300 -0.087 0.000 2.666 154 W HA 0.631 5.291 4.660 0.000 0.000 0.334 154 W C -1.112 175.329 176.519 -0.131 0.000 1.051 154 W CA -0.877 56.424 57.345 -0.074 0.000 1.224 154 W CB 1.556 31.096 29.460 0.134 0.000 1.405 154 W HN 0.283 nan 8.180 nan 0.000 0.513 155 L N 3.206 124.339 121.223 -0.150 0.000 2.356 155 L HA 0.472 4.812 4.340 0.001 0.000 0.277 155 L C -1.425 175.183 176.870 -0.438 0.000 0.996 155 L CA -0.964 53.777 54.840 -0.164 0.000 0.822 155 L CB 1.513 43.490 42.059 -0.137 0.000 1.256 155 L HN 0.308 nan 8.230 nan 0.000 0.413 156 Y N 3.185 123.531 120.300 0.078 0.000 2.373 156 Y HA 0.399 4.949 4.550 0.000 0.000 0.336 156 Y C -2.293 173.691 175.900 0.140 0.000 0.979 156 Y CA -2.523 55.629 58.100 0.086 0.000 1.080 156 Y CB 1.954 40.473 38.460 0.100 0.000 1.190 156 Y HN 0.367 nan 8.280 nan 0.000 0.446 157 P HA 0.177 nan 4.420 nan 0.000 0.281 157 P C -0.309 177.274 177.300 0.471 0.000 1.252 157 P CA -0.119 63.164 63.100 0.305 0.000 0.778 157 P CB 1.467 33.102 31.700 -0.110 0.000 0.895 158 T N -0.765 114.206 114.554 0.695 0.000 2.907 158 T HA 0.443 4.794 4.350 0.001 0.000 0.290 158 T C 0.726 175.820 174.700 0.656 0.000 1.066 158 T CA -0.763 61.744 62.100 0.679 0.000 1.012 158 T CB 1.825 70.982 68.868 0.480 0.000 1.184 158 T HN 0.168 nan 8.240 nan 0.000 0.522 159 K N -0.111 120.491 120.400 0.336 0.000 2.356 159 K HA 0.567 4.887 4.320 0.001 0.000 0.195 159 K C 0.542 177.254 176.600 0.187 0.000 1.037 159 K CA 0.214 56.610 56.287 0.180 0.000 1.014 159 K CB 0.570 33.049 32.500 -0.036 0.000 0.815 159 K HN 0.765 nan 8.250 nan 0.000 0.507 160 A N 1.292 124.122 122.820 0.016 0.000 2.604 160 A HA 0.385 4.706 4.320 0.001 0.000 0.295 160 A C -2.772 174.342 177.584 -0.783 0.000 1.067 160 A CA -1.224 50.585 52.037 -0.380 0.000 0.683 160 A CB 1.140 19.986 19.000 -0.257 0.000 1.281 160 A HN -0.161 nan 8.150 nan 0.000 0.407 161 P HA 0.160 nan 4.420 nan 0.000 0.218 161 P C -0.060 176.662 177.300 -0.963 0.000 1.793 161 P CA 0.224 62.288 63.100 -1.727 0.000 0.941 161 P CB -0.431 30.317 31.700 -1.587 0.000 1.919 162 S N -1.218 114.139 115.700 -0.572 0.000 2.654 162 S HA 0.297 4.768 4.470 0.001 0.000 0.283 162 S C 1.393 175.861 174.600 -0.220 0.000 1.180 162 S CA -0.316 57.686 58.200 -0.331 0.000 1.021 162 S CB 0.611 63.684 63.200 -0.210 0.000 1.018 162 S HN 0.033 nan 8.310 nan 0.000 0.532 163 T N 2.239 116.679 114.554 -0.189 0.000 2.665 163 T HA -0.182 4.168 4.350 0.001 0.000 0.268 163 T C 2.246 176.918 174.700 -0.046 0.000 1.035 163 T CA 2.221 64.257 62.100 -0.106 0.000 1.151 163 T CB -0.819 68.035 68.868 -0.023 0.000 0.862 163 T HN 0.913 nan 8.240 nan 0.000 0.438 164 S N 1.765 117.439 115.700 -0.042 0.000 2.368 164 S HA 0.019 4.489 4.470 0.001 0.000 0.225 164 S C 2.380 176.969 174.600 -0.018 0.000 1.030 164 S CA 1.032 59.221 58.200 -0.020 0.000 0.999 164 S CB -0.536 62.658 63.200 -0.011 0.000 0.844 164 S HN 0.504 nan 8.310 nan 0.000 0.459 165 A N 1.308 124.125 122.820 -0.005 0.000 1.970 165 A HA 0.091 4.411 4.320 0.001 0.000 0.216 165 A C 2.352 179.964 177.584 0.046 0.000 1.170 165 A CA 1.639 53.706 52.037 0.050 0.000 0.645 165 A CB -1.413 17.643 19.000 0.093 0.000 0.816 165 A HN 0.575 nan 8.150 nan 0.000 0.447 166 T N -0.231 114.344 114.554 0.034 0.000 2.708 166 T HA -0.130 4.220 4.350 0.001 0.000 0.266 166 T C 1.886 176.484 174.700 -0.170 0.000 1.037 166 T CA 1.689 63.781 62.100 -0.014 0.000 1.146 166 T CB -0.408 68.448 68.868 -0.019 0.000 0.865 166 T HN 0.145 nan 8.240 nan 0.000 0.435 167 V N 1.548 121.338 119.914 -0.207 0.000 2.295 167 V HA -0.181 3.939 4.120 0.001 0.000 0.246 167 V C 2.503 178.453 176.094 -0.239 0.000 1.049 167 V CA 1.562 63.605 62.300 -0.429 0.000 1.024 167 V CB -0.498 31.114 31.823 -0.353 0.000 0.648 167 V HN 0.474 nan 8.190 nan 0.000 0.447 168 K N 0.145 120.484 120.400 -0.101 0.000 2.059 168 K HA -0.210 4.110 4.320 0.001 0.000 0.212 168 K C 2.377 178.924 176.600 -0.087 0.000 1.050 168 K CA 2.025 58.291 56.287 -0.035 0.000 0.927 168 K CB -0.440 32.075 32.500 0.025 0.000 0.714 168 K HN 0.422 nan 8.250 nan 0.000 0.447 169 S N 1.451 117.037 115.700 -0.191 0.000 2.356 169 S HA -0.075 4.395 4.470 0.001 0.000 0.223 169 S C 2.008 176.297 174.600 -0.518 0.000 1.032 169 S CA 1.059 58.959 58.200 -0.499 0.000 1.005 169 S CB -0.226 62.534 63.200 -0.733 0.000 0.867 169 S HN 0.200 nan 8.310 nan 0.000 0.449 170 L N 1.662 122.681 121.223 -0.340 0.000 2.141 170 L HA -0.073 4.267 4.340 0.001 0.000 0.209 170 L C 2.102 179.023 176.870 0.085 0.000 1.094 170 L CA 0.645 55.394 54.840 -0.153 0.000 0.763 170 L CB -0.736 41.224 42.059 -0.166 0.000 0.908 170 L HN 0.251 nan 8.230 nan 0.000 0.437 171 N N 0.082 118.848 118.700 0.109 0.000 2.094 171 N HA -0.165 4.576 4.740 0.001 0.000 0.191 171 N C 1.869 177.439 175.510 0.100 0.000 1.023 171 N CA 1.246 54.408 53.050 0.185 0.000 0.857 171 N CB -0.435 38.152 38.487 0.167 0.000 1.013 171 N HN 0.122 nan 8.380 nan 0.000 0.426 172 V N 1.157 121.100 119.914 0.048 0.000 2.379 172 V HA -0.133 3.988 4.120 0.001 0.000 0.245 172 V C 2.292 178.446 176.094 0.100 0.000 1.044 172 V CA 0.924 63.280 62.300 0.094 0.000 1.036 172 V CB -0.491 31.426 31.823 0.158 0.000 0.664 172 V HN 0.210 nan 8.190 nan 0.000 0.453 173 L N 1.315 122.554 121.223 0.026 0.000 2.056 173 L HA -0.117 4.223 4.340 0.001 0.000 0.207 173 L C 2.481 179.330 176.870 -0.035 0.000 1.078 173 L CA 2.810 57.620 54.840 -0.050 0.000 0.749 173 L CB -1.278 40.639 42.059 -0.236 0.000 0.901 173 L HN 0.555 nan 8.230 nan 0.000 0.433 174 T N -4.258 110.314 114.554 0.029 0.000 3.160 174 T HA 0.023 4.373 4.350 0.001 0.000 0.257 174 T C 1.796 176.488 174.700 -0.012 0.000 1.147 174 T CA 0.792 62.901 62.100 0.014 0.000 1.064 174 T CB -0.605 68.298 68.868 0.058 0.000 0.949 174 T HN 0.300 nan 8.240 nan 0.000 0.526 175 S N 1.417 117.132 115.700 0.024 0.000 2.400 175 S HA -0.028 4.442 4.470 0.001 0.000 0.232 175 S C 1.738 176.342 174.600 0.006 0.000 1.025 175 S CA 0.862 59.076 58.200 0.024 0.000 0.993 175 S CB -0.294 62.944 63.200 0.063 0.000 0.808 175 S HN 0.433 nan 8.310 nan 0.000 0.478 176 I N 0.586 121.164 120.570 0.013 0.000 2.333 176 I HA 0.252 4.423 4.170 0.001 0.000 0.246 176 I C 1.010 177.036 176.117 -0.151 0.000 1.106 176 I CA 0.302 61.611 61.300 0.015 0.000 1.411 176 I CB -1.359 36.739 38.000 0.163 0.000 1.082 176 I HN 0.207 nan 8.210 nan 0.000 0.420 177 A N 0.113 122.774 122.820 -0.266 0.000 2.590 177 A HA 0.578 4.898 4.320 0.001 0.000 0.294 177 A C -1.054 176.286 177.584 -0.406 0.000 1.046 177 A CA -0.550 51.167 52.037 -0.533 0.000 0.684 177 A CB 0.906 19.090 19.000 -1.359 0.000 1.279 177 A HN -0.033 nan 8.150 nan 0.000 0.415 178 I N 2.603 122.948 120.570 -0.375 0.000 2.392 178 I HA 0.421 4.591 4.170 0.001 0.000 0.295 178 I C -2.063 173.853 176.117 -0.335 0.000 0.985 178 I CA -1.654 59.470 61.300 -0.294 0.000 1.221 178 I CB 1.527 39.379 38.000 -0.246 0.000 1.366 178 I HN 0.489 nan 8.210 nan 0.000 0.467 179 P HA 0.351 nan 4.420 nan 0.000 0.284 179 P C 0.004 177.132 177.300 -0.286 0.000 1.258 179 P CA -0.648 62.176 63.100 -0.459 0.000 0.824 179 P CB 1.742 32.832 31.700 -1.016 0.000 1.038 180 K N 0.014 120.295 120.400 -0.197 0.000 2.025 180 K HA 0.050 4.370 4.320 0.001 0.000 0.207 180 K C 0.433 176.964 176.600 -0.115 0.000 1.049 180 K CA 1.198 57.407 56.287 -0.132 0.000 0.933 180 K CB -0.094 32.355 32.500 -0.085 0.000 0.714 180 K HN 0.264 nan 8.250 nan 0.000 0.438 181 V N 1.322 121.154 119.914 -0.137 0.000 2.789 181 V HA 0.357 4.477 4.120 0.001 0.000 0.311 181 V C -0.693 175.296 176.094 -0.173 0.000 1.073 181 V CA -0.809 61.424 62.300 -0.112 0.000 0.921 181 V CB 2.157 33.944 31.823 -0.061 0.000 1.009 181 V HN 0.084 nan 8.190 nan 0.000 0.426 182 I N 2.935 123.404 120.570 -0.168 0.000 2.389 182 I HA 0.413 4.583 4.170 0.001 0.000 0.288 182 I C -0.600 175.359 176.117 -0.263 0.000 0.999 182 I CA -0.433 60.791 61.300 -0.127 0.000 1.129 182 I CB 1.478 39.480 38.000 0.002 0.000 1.288 182 I HN 0.741 nan 8.210 nan 0.000 0.444 183 H N 5.565 124.380 119.070 -0.425 0.000 2.488 183 H HA 0.605 5.161 4.556 0.000 0.000 0.322 183 H C -0.449 174.682 175.328 -0.329 0.000 1.078 183 H CA -0.236 55.536 56.048 -0.459 0.000 1.260 183 H CB 1.110 30.460 29.762 -0.686 0.000 1.425 183 H HN 0.619 nan 8.280 nan 0.000 0.471 184 S N 3.037 118.516 115.700 -0.369 0.000 2.651 184 S HA 0.318 4.789 4.470 0.001 0.000 0.279 184 S C -0.759 173.876 174.600 0.058 0.000 1.148 184 S CA -0.897 57.194 58.200 -0.181 0.000 0.837 184 S CB 1.666 64.475 63.200 -0.652 0.000 1.138 184 S HN 0.788 nan 8.310 nan 0.000 0.478 185 D N 0.278 120.819 120.400 0.236 0.000 2.440 185 D HA 0.189 4.829 4.640 0.001 0.000 0.269 185 D C 0.265 176.790 176.300 0.374 0.000 1.249 185 D CA -0.344 53.834 54.000 0.297 0.000 1.055 185 D CB -0.063 40.883 40.800 0.242 0.000 1.104 185 D HN 0.651 nan 8.370 nan 0.000 0.561 186 Q N -0.808 119.126 119.800 0.223 0.000 2.225 186 Q HA 0.262 4.602 4.340 0.001 0.000 0.222 186 Q C 0.412 176.453 176.000 0.069 0.000 0.887 186 Q CA -0.403 55.483 55.803 0.139 0.000 0.958 186 Q CB 0.387 29.137 28.738 0.019 0.000 1.058 186 Q HN 0.538 nan 8.270 nan 0.000 0.459 187 G N 0.108 108.989 108.800 0.135 0.000 2.484 187 G HA2 0.116 4.076 3.960 0.001 0.000 0.235 187 G HA3 0.116 4.076 3.960 0.001 0.000 0.235 187 G C 1.022 175.814 174.900 -0.180 0.000 1.282 187 G CA 0.244 45.300 45.100 -0.073 0.000 0.857 187 G HN 0.358 nan 8.290 nan 0.000 0.571 188 A N 2.514 125.205 122.820 -0.215 0.000 1.903 188 A HA -0.067 4.254 4.320 0.001 0.000 0.219 188 A C 2.844 180.270 177.584 -0.265 0.000 1.191 188 A CA 2.933 54.850 52.037 -0.200 0.000 0.638 188 A CB -0.926 17.958 19.000 -0.194 0.000 0.823 188 A HN 1.616 nan 8.150 nan 0.000 0.451 189 A N -1.713 120.814 122.820 -0.488 0.000 1.986 189 A HA -0.031 4.289 4.320 0.001 0.000 0.220 189 A C 1.724 178.974 177.584 -0.556 0.000 1.171 189 A CA 1.864 53.528 52.037 -0.622 0.000 0.640 189 A CB -0.613 17.809 19.000 -0.963 0.000 0.811 189 A HN 0.546 nan 8.150 nan 0.000 0.451 190 F N -0.845 118.991 119.950 -0.190 0.000 2.717 190 F HA 0.114 4.641 4.527 0.001 0.000 0.295 190 F C 2.301 178.245 175.800 0.240 0.000 1.117 190 F CA 1.019 58.882 58.000 -0.228 0.000 1.361 190 F CB -0.470 38.504 39.000 -0.044 0.000 1.112 190 F HN 0.274 nan 8.300 nan 0.000 0.594 191 T N -3.176 111.517 114.554 0.232 0.000 3.023 191 T HA 0.129 4.479 4.350 0.001 0.000 0.253 191 T C 0.941 175.690 174.700 0.082 0.000 1.038 191 T CA 0.221 62.365 62.100 0.073 0.000 0.962 191 T CB -0.612 68.163 68.868 -0.153 0.000 1.018 191 T HN 0.081 nan 8.240 nan 0.000 0.521 192 S N 2.015 117.782 115.700 0.111 0.000 2.568 192 S HA 0.170 4.640 4.470 0.001 0.000 0.282 192 S C 1.573 176.273 174.600 0.166 0.000 1.338 192 S CA -0.012 58.247 58.200 0.098 0.000 1.045 192 S CB 1.048 64.292 63.200 0.074 0.000 0.873 192 S HN 0.484 nan 8.310 nan 0.000 0.516 193 S N 1.973 117.739 115.700 0.110 0.000 2.423 193 S HA -0.106 4.364 4.470 0.001 0.000 0.231 193 S C 1.678 176.361 174.600 0.138 0.000 1.014 193 S CA 1.128 59.395 58.200 0.112 0.000 0.965 193 S CB -1.315 61.925 63.200 0.066 0.000 0.785 193 S HN 0.814 nan 8.310 nan 0.000 0.495 194 T N 1.692 116.333 114.554 0.144 0.000 2.788 194 T HA -0.005 4.346 4.350 0.001 0.000 0.268 194 T C 1.214 176.064 174.700 0.250 0.000 1.044 194 T CA 1.401 63.598 62.100 0.162 0.000 1.139 194 T CB -0.479 68.469 68.868 0.134 0.000 0.867 194 T HN 0.491 nan 8.240 nan 0.000 0.454 195 F N 1.822 121.856 119.950 0.139 0.000 2.206 195 F HA 0.206 4.733 4.527 0.000 0.000 0.298 195 F C 2.376 178.340 175.800 0.274 0.000 1.090 195 F CA 0.509 58.630 58.000 0.201 0.000 1.323 195 F CB -0.623 38.487 39.000 0.183 0.000 1.028 195 F HN 0.123 nan 8.300 nan 0.000 0.492 196 A N 0.137 123.101 122.820 0.239 0.000 1.883 196 A HA -0.249 4.071 4.320 0.001 0.000 0.217 196 A C 2.142 179.748 177.584 0.036 0.000 1.186 196 A CA 2.105 54.219 52.037 0.127 0.000 0.624 196 A CB -0.952 18.140 19.000 0.154 0.000 0.822 196 A HN 0.518 nan 8.150 nan 0.000 0.444 197 E N -1.743 118.499 120.200 0.069 0.000 2.051 197 E HA -0.244 4.107 4.350 0.001 0.000 0.192 197 E C 1.745 178.348 176.600 0.005 0.000 0.991 197 E CA 1.396 57.818 56.400 0.037 0.000 0.799 197 E CB -0.278 29.462 29.700 0.066 0.000 0.748 197 E HN 0.855 nan 8.360 nan 0.000 0.449 198 W N 1.189 122.404 121.300 -0.141 0.000 2.342 198 W HA -0.229 4.431 4.660 0.000 0.000 0.297 198 W C 2.154 178.524 176.519 -0.249 0.000 1.213 198 W CA 2.045 59.284 57.345 -0.177 0.000 1.251 198 W CB -0.165 29.188 29.460 -0.179 0.000 1.136 198 W HN 0.036 nan 8.180 nan 0.000 0.526 199 A N 0.307 122.966 122.820 -0.269 0.000 1.897 199 A HA -0.141 4.180 4.320 0.001 0.000 0.215 199 A C 2.052 179.414 177.584 -0.370 0.000 1.181 199 A CA 1.706 53.474 52.037 -0.449 0.000 0.620 199 A CB -0.896 17.940 19.000 -0.273 0.000 0.821 199 A HN 0.360 nan 8.150 nan 0.000 0.443 200 K N -0.037 120.229 120.400 -0.223 0.000 2.026 200 K HA -0.190 4.130 4.320 0.001 0.000 0.208 200 K C 1.813 178.292 176.600 -0.201 0.000 1.048 200 K CA 1.606 57.798 56.287 -0.159 0.000 0.929 200 K CB -0.245 32.205 32.500 -0.084 0.000 0.713 200 K HN 0.548 nan 8.250 nan 0.000 0.439 201 E N -0.121 119.939 120.200 -0.234 0.000 2.236 201 E HA -0.230 4.120 4.350 0.001 0.000 0.205 201 E C 1.430 177.845 176.600 -0.307 0.000 1.028 201 E CA 1.510 57.758 56.400 -0.253 0.000 0.827 201 E CB 0.063 29.594 29.700 -0.283 0.000 0.735 201 E HN 0.284 nan 8.360 nan 0.000 0.470 202 R N -1.674 118.578 120.500 -0.413 0.000 2.472 202 R HA 0.168 4.509 4.340 0.001 0.000 0.279 202 R C 0.831 176.955 176.300 -0.293 0.000 0.953 202 R CA 0.429 56.292 56.100 -0.396 0.000 1.088 202 R CB 1.237 31.183 30.300 -0.590 0.000 1.197 202 R HN 0.174 nan 8.270 nan 0.000 0.536 203 G N 1.742 110.399 108.800 -0.237 0.000 2.160 203 G HA2 -0.279 3.681 3.960 0.001 0.000 0.251 203 G HA3 -0.279 3.681 3.960 0.001 0.000 0.251 203 G C 0.100 174.902 174.900 -0.163 0.000 1.008 203 G CA -0.039 44.959 45.100 -0.170 0.000 0.724 203 G HN 0.257 nan 8.290 nan 0.000 0.514 204 I N 0.716 121.159 120.570 -0.212 0.000 2.342 204 I HA 0.308 4.479 4.170 0.001 0.000 0.291 204 I C 0.668 176.726 176.117 -0.098 0.000 1.010 204 I CA -1.009 60.182 61.300 -0.181 0.000 1.308 204 I CB 0.961 38.807 38.000 -0.258 0.000 1.400 204 I HN 0.232 nan 8.210 nan 0.000 0.488 205 H N 7.035 126.016 119.070 -0.149 0.000 2.620 205 H HA 0.435 4.991 4.556 0.001 0.000 0.313 205 H C -0.908 174.336 175.328 -0.140 0.000 1.075 205 H CA -0.261 55.715 56.048 -0.119 0.000 1.397 205 H CB 0.738 30.440 29.762 -0.099 0.000 1.446 205 H HN 0.438 nan 8.280 nan 0.000 0.493 206 L N 4.797 125.633 121.223 -0.644 0.000 2.305 206 L HA 0.311 4.651 4.340 0.001 0.000 0.281 206 L C 0.291 176.604 176.870 -0.929 0.000 1.085 206 L CA -0.188 54.254 54.840 -0.664 0.000 0.813 206 L CB 1.014 42.835 42.059 -0.396 0.000 1.157 206 L HN 0.677 nan 8.230 nan 0.000 0.436 207 E N 2.752 122.425 120.200 -0.877 0.000 2.224 207 E HA 0.489 4.839 4.350 0.001 0.000 0.265 207 E C -1.657 174.362 176.600 -0.969 0.000 0.878 207 E CA -0.623 55.383 56.400 -0.656 0.000 0.759 207 E CB 1.509 30.988 29.700 -0.369 0.000 1.164 207 E HN 0.271 nan 8.360 nan 0.000 0.414 208 F N 1.327 121.081 119.950 -0.328 0.000 2.480 208 F HA 0.347 4.875 4.527 0.000 0.000 0.329 208 F C 0.734 176.403 175.800 -0.217 0.000 1.091 208 F CA -0.711 57.112 58.000 -0.294 0.000 0.972 208 F CB 1.975 40.917 39.000 -0.096 0.000 1.150 208 F HN 0.257 nan 8.300 nan 0.000 0.467 209 S N 0.712 116.461 115.700 0.081 0.000 2.573 209 S HA 0.161 4.631 4.470 0.001 0.000 0.277 209 S C 0.242 174.986 174.600 0.240 0.000 1.346 209 S CA -0.638 57.743 58.200 0.302 0.000 1.034 209 S CB 0.355 63.791 63.200 0.392 0.000 0.879 209 S HN 0.735 nan 8.310 nan 0.000 0.528 210 T N 1.499 116.191 114.554 0.228 0.000 2.795 210 T HA 0.278 4.629 4.350 0.001 0.000 0.314 210 T C -2.590 172.228 174.700 0.196 0.000 1.069 210 T CA -1.258 60.946 62.100 0.174 0.000 1.071 210 T CB -0.284 68.651 68.868 0.112 0.000 0.988 210 T HN 0.322 nan 8.240 nan 0.000 0.543 211 P HA 0.211 nan 4.420 nan 0.000 0.281 211 P C -0.595 176.893 177.300 0.314 0.000 1.249 211 P CA -0.549 62.668 63.100 0.195 0.000 0.810 211 P CB -0.127 31.711 31.700 0.230 0.000 1.008 212 Y N -1.059 119.327 120.300 0.144 0.000 3.168 212 Y HA -0.247 4.303 4.550 0.001 0.000 0.207 212 Y C 0.580 176.607 175.900 0.213 0.000 1.280 212 Y CA 1.059 59.242 58.100 0.139 0.000 1.235 212 Y CB -2.402 36.116 38.460 0.097 0.000 1.370 212 Y HN 0.562 nan 8.280 nan 0.000 0.537 213 H N -0.508 118.654 119.070 0.153 0.000 2.600 213 H HA 0.191 4.747 4.556 0.000 0.000 0.224 213 H C -2.320 173.075 175.328 0.112 0.000 1.413 213 H CA -1.670 54.460 56.048 0.137 0.000 1.401 213 H CB 1.263 31.112 29.762 0.144 0.000 1.772 213 H HN 0.009 nan 8.280 nan 0.000 0.528 214 P HA -0.115 nan 4.420 nan 0.000 0.225 214 P C 1.275 178.515 177.300 -0.100 0.000 1.148 214 P CA 0.872 63.958 63.100 -0.024 0.000 0.779 214 P CB 0.367 32.059 31.700 -0.012 0.000 0.780 215 Q N -0.836 118.791 119.800 -0.288 0.000 2.234 215 Q HA -0.123 4.217 4.340 0.001 0.000 0.206 215 Q C 2.198 178.132 176.000 -0.110 0.000 0.980 215 Q CA 1.647 57.296 55.803 -0.256 0.000 0.869 215 Q CB -1.007 27.481 28.738 -0.416 0.000 0.912 215 Q HN 0.207 nan 8.270 nan 0.000 0.436 216 S N -0.286 115.423 115.700 0.014 0.000 2.402 216 S HA -0.048 4.422 4.470 0.001 0.000 0.229 216 S C 1.409 176.033 174.600 0.040 0.000 1.021 216 S CA 0.899 59.198 58.200 0.165 0.000 0.974 216 S CB -0.026 63.401 63.200 0.378 0.000 0.800 216 S HN 0.236 nan 8.310 nan 0.000 0.484 217 S N 1.074 116.809 115.700 0.057 0.000 2.685 217 S HA 0.220 4.690 4.470 0.001 0.000 0.240 217 S C 1.774 176.280 174.600 -0.155 0.000 0.967 217 S CA 0.017 58.219 58.200 0.002 0.000 1.009 217 S CB -0.061 63.231 63.200 0.154 0.000 0.776 217 S HN 0.599 nan 8.310 nan 0.000 0.467 218 G N 2.779 111.460 108.800 -0.199 0.000 2.505 218 G HA2 -0.285 3.675 3.960 0.001 0.000 0.220 218 G HA3 -0.285 3.675 3.960 0.001 0.000 0.220 218 G C 1.640 176.376 174.900 -0.274 0.000 1.145 218 G CA 0.827 45.804 45.100 -0.205 0.000 0.761 218 G HN 0.366 nan 8.290 nan 0.000 0.571 219 K N -0.199 119.902 120.400 -0.498 0.000 2.034 219 K HA -0.105 4.216 4.320 0.001 0.000 0.214 219 K C 2.576 179.003 176.600 -0.288 0.000 1.051 219 K CA 1.598 57.580 56.287 -0.508 0.000 0.931 219 K CB -0.905 31.005 32.500 -0.983 0.000 0.715 219 K HN 0.286 nan 8.250 nan 0.000 0.446 220 V N 1.480 121.258 119.914 -0.225 0.000 2.535 220 V HA -0.130 3.990 4.120 0.001 0.000 0.246 220 V C 2.003 178.062 176.094 -0.059 0.000 1.045 220 V CA 1.421 63.682 62.300 -0.066 0.000 1.058 220 V CB -0.082 31.767 31.823 0.043 0.000 0.689 220 V HN 0.248 nan 8.190 nan 0.000 0.461 221 E N 0.536 120.696 120.200 -0.066 0.000 2.070 221 E HA -0.278 4.072 4.350 0.001 0.000 0.197 221 E C 2.325 178.890 176.600 -0.059 0.000 1.004 221 E CA 1.641 58.013 56.400 -0.045 0.000 0.805 221 E CB -0.452 29.220 29.700 -0.047 0.000 0.744 221 E HN 0.454 nan 8.360 nan 0.000 0.451 222 R N 1.520 121.970 120.500 -0.083 0.000 2.148 222 R HA -0.110 4.230 4.340 0.001 0.000 0.227 222 R C 1.996 178.252 176.300 -0.074 0.000 1.103 222 R CA 1.551 57.604 56.100 -0.079 0.000 0.983 222 R CB -0.199 30.046 30.300 -0.091 0.000 0.874 222 R HN -0.069 nan 8.270 nan 0.000 0.451 223 K N 0.205 120.558 120.400 -0.078 0.000 2.103 223 K HA 0.031 4.351 4.320 0.001 0.000 0.204 223 K C 1.508 178.067 176.600 -0.068 0.000 1.052 223 K CA 1.381 57.621 56.287 -0.077 0.000 0.945 223 K CB -0.200 32.252 32.500 -0.079 0.000 0.722 223 K HN 0.160 nan 8.250 nan 0.000 0.443 224 N N 0.333 119.000 118.700 -0.055 0.000 2.060 224 N HA -0.210 4.530 4.740 0.001 0.000 0.195 224 N C 1.738 177.214 175.510 -0.057 0.000 1.028 224 N CA 1.578 54.598 53.050 -0.049 0.000 0.861 224 N CB -0.842 37.627 38.487 -0.030 0.000 1.029 224 N HN 0.218 nan 8.380 nan 0.000 0.428 225 S N 0.796 116.463 115.700 -0.054 0.000 2.359 225 S HA -0.157 4.314 4.470 0.001 0.000 0.223 225 S C 1.250 175.816 174.600 -0.058 0.000 1.039 225 S CA 1.497 59.665 58.200 -0.053 0.000 1.042 225 S CB -0.298 62.872 63.200 -0.049 0.000 0.915 225 S HN 0.238 nan 8.310 nan 0.000 0.439 226 D N 0.820 121.183 120.400 -0.062 0.000 2.178 226 D HA -0.032 4.608 4.640 0.001 0.000 0.201 226 D C 1.883 178.141 176.300 -0.069 0.000 0.980 226 D CA 0.939 54.900 54.000 -0.064 0.000 0.842 226 D CB -0.357 40.401 40.800 -0.071 0.000 0.948 226 D HN 0.468 nan 8.370 nan 0.000 0.472 227 I N 0.857 121.382 120.570 -0.075 0.000 2.202 227 I HA -0.231 3.939 4.170 0.001 0.000 0.242 227 I C 2.342 178.412 176.117 -0.078 0.000 1.091 227 I CA 1.095 62.346 61.300 -0.081 0.000 1.368 227 I CB -0.069 37.879 38.000 -0.086 0.000 1.058 227 I HN -0.119 nan 8.210 nan 0.000 0.410 228 K N 0.300 120.651 120.400 -0.082 0.000 2.097 228 K HA -0.216 4.104 4.320 0.001 0.000 0.206 228 K C 2.287 178.851 176.600 -0.061 0.000 1.049 228 K CA 1.338 57.575 56.287 -0.084 0.000 0.933 228 K CB -0.207 32.244 32.500 -0.083 0.000 0.717 228 K HN 0.197 nan 8.250 nan 0.000 0.442 229 R N 0.897 121.365 120.500 -0.054 0.000 2.075 229 R HA -0.122 4.218 4.340 0.001 0.000 0.232 229 R C 2.257 178.534 176.300 -0.038 0.000 1.126 229 R CA 1.003 57.078 56.100 -0.043 0.000 0.963 229 R CB -0.182 30.093 30.300 -0.042 0.000 0.858 229 R HN 0.080 nan 8.270 nan 0.000 0.435 230 L N 0.782 121.979 121.223 -0.042 0.000 2.072 230 L HA -0.033 4.307 4.340 0.001 0.000 0.205 230 L C 1.940 178.796 176.870 -0.023 0.000 1.079 230 L CA 1.479 56.297 54.840 -0.036 0.000 0.752 230 L CB -0.341 41.691 42.059 -0.045 0.000 0.906 230 L HN 0.242 nan 8.230 nan 0.000 0.436 231 L N -1.068 120.140 121.223 -0.025 0.000 2.012 231 L HA -0.263 4.077 4.340 0.001 0.000 0.210 231 L C 2.362 179.236 176.870 0.007 0.000 1.073 231 L CA 1.938 56.777 54.840 -0.001 0.000 0.748 231 L CB -1.016 41.034 42.059 -0.015 0.000 0.891 231 L HN 0.285 nan 8.230 nan 0.000 0.431 232 T N -0.458 114.089 114.554 -0.011 0.000 2.652 232 T HA -0.225 4.125 4.350 0.001 0.000 0.267 232 T C 1.889 176.589 174.700 0.001 0.000 1.039 232 T CA 1.479 63.576 62.100 -0.005 0.000 1.153 232 T CB -0.124 68.734 68.868 -0.017 0.000 0.863 232 T HN 0.294 nan 8.240 nan 0.000 0.428 233 K N 0.739 121.135 120.400 -0.007 0.000 2.057 233 K HA 0.033 4.354 4.320 0.001 0.000 0.207 233 K C 2.217 178.818 176.600 0.002 0.000 1.049 233 K CA 1.040 57.323 56.287 -0.006 0.000 0.931 233 K CB -0.364 32.128 32.500 -0.013 0.000 0.714 233 K HN 0.289 nan 8.250 nan 0.000 0.440 234 L N 0.685 121.911 121.223 0.006 0.000 2.362 234 L HA -0.115 4.226 4.340 0.001 0.000 0.219 234 L C 1.789 178.673 176.870 0.023 0.000 1.134 234 L CA 0.767 55.614 54.840 0.013 0.000 0.807 234 L CB -0.099 41.969 42.059 0.015 0.000 0.927 234 L HN 0.195 nan 8.230 nan 0.000 0.447 235 L N -1.204 120.036 121.223 0.028 0.000 2.693 235 L HA 0.138 4.479 4.340 0.001 0.000 0.235 235 L C 0.528 177.415 176.870 0.028 0.000 1.127 235 L CA -0.431 54.433 54.840 0.039 0.000 0.914 235 L CB 0.733 42.829 42.059 0.061 0.000 1.193 235 L HN -0.122 nan 8.230 nan 0.000 0.502 236 V N 1.662 121.587 119.914 0.018 0.000 2.584 236 V HA 0.019 4.140 4.120 0.001 0.000 0.303 236 V C 1.535 177.637 176.094 0.013 0.000 1.035 236 V CA 1.454 63.761 62.300 0.012 0.000 1.172 236 V CB 0.094 31.921 31.823 0.006 0.000 0.896 236 V HN 0.692 nan 8.190 nan 0.000 0.486 237 G N 4.556 113.364 108.800 0.013 0.000 2.168 237 G HA2 -0.269 3.691 3.960 0.001 0.000 0.263 237 G HA3 -0.269 3.691 3.960 0.001 0.000 0.263 237 G C 0.283 175.192 174.900 0.015 0.000 0.977 237 G CA 0.599 45.706 45.100 0.012 0.000 0.659 237 G HN 0.676 nan 8.290 nan 0.000 0.533 238 R N 0.192 120.705 120.500 0.021 0.000 2.892 238 R HA 0.575 4.915 4.340 0.001 0.000 0.265 238 R C -2.350 173.968 176.300 0.031 0.000 1.025 238 R CA -1.805 54.309 56.100 0.024 0.000 0.982 238 R CB 1.280 31.596 30.300 0.026 0.000 1.185 238 R HN 0.106 nan 8.270 nan 0.000 0.484 239 P HA -0.014 nan 4.420 nan 0.000 0.269 239 P C -0.007 177.329 177.300 0.059 0.000 1.209 239 P CA -0.088 63.034 63.100 0.038 0.000 0.776 239 P CB 0.416 32.132 31.700 0.027 0.000 0.876 240 T N -2.493 112.111 114.554 0.083 0.000 4.508 240 T HA 0.247 4.597 4.350 0.001 0.000 0.232 240 T C 0.759 175.564 174.700 0.174 0.000 1.027 240 T CA -0.518 61.669 62.100 0.145 0.000 0.999 240 T CB -1.406 67.564 68.868 0.169 0.000 1.402 240 T HN 0.532 nan 8.240 nan 0.000 1.003 241 K N 3.016 123.472 120.400 0.093 0.000 2.155 241 K HA 0.255 4.575 4.320 0.001 0.000 0.240 241 K C 1.025 177.655 176.600 0.049 0.000 1.193 241 K CA -0.688 55.605 56.287 0.009 0.000 1.104 241 K CB -1.223 31.275 32.500 -0.004 0.000 1.558 241 K HN 0.904 nan 8.250 nan 0.000 0.313 242 W N -0.379 120.964 121.300 0.072 0.000 2.518 242 W HA -0.140 4.521 4.660 0.001 0.000 0.273 242 W C 1.284 177.842 176.519 0.065 0.000 1.247 242 W CA 0.490 57.866 57.345 0.052 0.000 1.288 242 W CB -0.499 28.982 29.460 0.035 0.000 1.107 242 W HN 0.641 nan 8.180 nan 0.000 0.586 243 Y N 3.062 123.010 120.300 -0.588 0.000 2.139 243 Y HA -0.297 4.254 4.550 0.001 0.000 0.282 243 Y C 1.757 177.553 175.900 -0.172 0.000 1.179 243 Y CA 2.614 60.401 58.100 -0.523 0.000 1.161 243 Y CB -0.621 37.464 38.460 -0.626 0.000 0.970 243 Y HN -0.206 nan 8.280 nan 0.000 0.511 244 D N -0.425 119.983 120.400 0.013 0.000 2.349 244 D HA 0.009 4.649 4.640 0.001 0.000 0.224 244 D C 1.563 177.840 176.300 -0.038 0.000 1.029 244 D CA 0.703 54.700 54.000 -0.006 0.000 0.879 244 D CB 0.037 40.875 40.800 0.062 0.000 0.906 244 D HN 0.437 nan 8.370 nan 0.000 0.528 245 L N -0.580 120.640 121.223 -0.005 0.000 2.609 245 L HA 0.150 4.491 4.340 0.001 0.000 0.230 245 L C 2.154 179.014 176.870 -0.017 0.000 1.087 245 L CA -0.026 54.819 54.840 0.009 0.000 0.874 245 L CB 0.275 42.368 42.059 0.057 0.000 1.114 245 L HN -0.023 nan 8.230 nan 0.000 0.488 246 L N 0.833 122.044 121.223 -0.020 0.000 2.011 246 L HA -0.252 4.088 4.340 0.001 0.000 0.225 246 L C -0.166 176.638 176.870 -0.110 0.000 1.084 246 L CA 2.190 56.997 54.840 -0.055 0.000 0.791 246 L CB -1.891 40.112 42.059 -0.093 0.000 0.898 246 L HN 0.249 nan 8.230 nan 0.000 0.440 247 P HA -0.132 nan 4.420 nan 0.000 0.215 247 P C 1.961 179.204 177.300 -0.095 0.000 1.157 247 P CA 1.184 64.211 63.100 -0.121 0.000 0.868 247 P CB 0.011 31.646 31.700 -0.108 0.000 0.788 248 V N -0.385 119.486 119.914 -0.073 0.000 2.287 248 V HA -0.227 3.894 4.120 0.001 0.000 0.248 248 V C 2.487 178.537 176.094 -0.072 0.000 1.053 248 V CA 1.909 64.174 62.300 -0.059 0.000 1.027 248 V CB -1.359 30.442 31.823 -0.036 0.000 0.646 248 V HN -0.032 nan 8.190 nan 0.000 0.447 249 V N -0.508 119.362 119.914 -0.072 0.000 2.295 249 V HA -0.353 3.767 4.120 0.001 0.000 0.246 249 V C 2.434 178.451 176.094 -0.129 0.000 1.049 249 V CA 2.408 64.658 62.300 -0.083 0.000 1.024 249 V CB -0.690 31.095 31.823 -0.063 0.000 0.648 249 V HN 0.618 nan 8.190 nan 0.000 0.447 250 Q N -0.566 119.142 119.800 -0.154 0.000 2.029 250 Q HA -0.309 4.031 4.340 0.001 0.000 0.209 250 Q C 2.293 178.138 176.000 -0.259 0.000 0.999 250 Q CA 2.654 58.319 55.803 -0.229 0.000 0.857 250 Q CB -0.314 28.286 28.738 -0.230 0.000 0.926 250 Q HN 0.535 nan 8.270 nan 0.000 0.415 251 L N 0.461 121.574 121.223 -0.184 0.000 2.012 251 L HA -0.144 4.196 4.340 0.001 0.000 0.210 251 L C 2.242 179.023 176.870 -0.147 0.000 1.073 251 L CA 2.278 57.026 54.840 -0.154 0.000 0.748 251 L CB -0.868 41.136 42.059 -0.092 0.000 0.891 251 L HN 0.310 nan 8.230 nan 0.000 0.431 252 A N -0.445 122.302 122.820 -0.121 0.000 1.865 252 A HA -0.206 4.115 4.320 0.001 0.000 0.217 252 A C 2.252 179.762 177.584 -0.123 0.000 1.191 252 A CA 2.244 54.221 52.037 -0.099 0.000 0.623 252 A CB -0.983 17.971 19.000 -0.077 0.000 0.826 252 A HN 0.512 nan 8.150 nan 0.000 0.444 253 L N -0.645 120.485 121.223 -0.157 0.000 2.109 253 L HA -0.128 4.213 4.340 0.001 0.000 0.207 253 L C 2.017 178.755 176.870 -0.220 0.000 1.086 253 L CA 0.988 55.726 54.840 -0.171 0.000 0.760 253 L CB -0.650 41.303 42.059 -0.177 0.000 0.910 253 L HN 0.344 nan 8.230 nan 0.000 0.437 254 N N 0.241 118.752 118.700 -0.316 0.000 2.381 254 N HA -0.113 4.628 4.740 0.001 0.000 0.182 254 N C 1.009 176.421 175.510 -0.163 0.000 1.025 254 N CA 0.836 53.648 53.050 -0.397 0.000 0.888 254 N CB -0.149 37.870 38.487 -0.780 0.000 0.965 254 N HN 0.372 nan 8.380 nan 0.000 0.438 255 N N -0.133 118.480 118.700 -0.145 0.000 2.238 255 N HA 0.058 4.798 4.740 0.001 0.000 0.222 255 N C -0.487 174.934 175.510 -0.148 0.000 1.133 255 N CA 0.154 53.129 53.050 -0.125 0.000 0.854 255 N CB 0.806 39.216 38.487 -0.127 0.000 1.041 255 N HN -0.009 nan 8.380 nan 0.000 0.510 256 T N 0.642 115.115 114.554 -0.134 0.000 2.837 256 T HA 0.283 4.633 4.350 0.001 0.000 0.285 256 T C -0.168 174.478 174.700 -0.090 0.000 0.984 256 T CA -0.231 61.818 62.100 -0.085 0.000 1.049 256 T CB 0.921 69.752 68.868 -0.061 0.000 0.947 256 T HN -0.014 nan 8.240 nan 0.000 0.472 257 Y N 1.708 121.986 120.300 -0.037 0.000 2.359 257 Y HA 0.251 4.802 4.550 0.001 0.000 0.330 257 Y C 1.196 177.074 175.900 -0.036 0.000 1.143 257 Y CA 0.121 58.202 58.100 -0.031 0.000 1.318 257 Y CB 0.799 39.222 38.460 -0.062 0.000 1.234 257 Y HN 0.513 nan 8.280 nan 0.000 0.522 258 S N 5.627 121.405 115.700 0.130 0.000 2.411 258 S HA 0.232 4.703 4.470 0.001 0.000 0.294 258 S C -1.766 172.873 174.600 0.066 0.000 1.115 258 S CA -1.612 56.631 58.200 0.073 0.000 1.071 258 S CB 0.616 63.853 63.200 0.061 0.000 0.967 258 S HN 0.428 nan 8.310 nan 0.000 0.488 259 P HA -0.114 nan 4.420 nan 0.000 0.217 259 P C 1.490 178.755 177.300 -0.059 0.000 1.148 259 P CA 0.516 63.594 63.100 -0.035 0.000 0.828 259 P CB 0.106 31.771 31.700 -0.058 0.000 0.783 260 V N -1.012 118.863 119.914 -0.065 0.000 2.548 260 V HA -0.149 3.972 4.120 0.001 0.000 0.249 260 V C 1.948 178.017 176.094 -0.041 0.000 1.055 260 V CA 1.590 63.816 62.300 -0.124 0.000 1.065 260 V CB -0.748 30.945 31.823 -0.218 0.000 0.681 260 V HN 0.008 nan 8.190 nan 0.000 0.462 261 L N -0.809 120.445 121.223 0.051 0.000 2.298 261 L HA 0.196 4.536 4.340 0.001 0.000 0.209 261 L C 1.336 178.280 176.870 0.124 0.000 1.084 261 L CA 0.539 55.478 54.840 0.166 0.000 0.816 261 L CB -0.166 42.035 42.059 0.237 0.000 0.967 261 L HN 0.178 nan 8.230 nan 0.000 0.460 262 K N -0.937 119.465 120.400 0.004 0.000 3.291 262 K HA -0.194 4.126 4.320 0.001 0.000 0.290 262 K C -1.252 175.108 176.600 -0.400 0.000 1.235 262 K CA 0.796 56.966 56.287 -0.195 0.000 0.848 262 K CB -2.268 30.013 32.500 -0.366 0.000 1.295 262 K HN 0.266 nan 8.250 nan 0.000 0.497 263 Y N -0.438 120.030 120.300 0.281 0.000 2.588 263 Y HA 0.345 4.896 4.550 0.000 0.000 0.343 263 Y C 0.876 176.717 175.900 -0.098 0.000 1.065 263 Y CA -0.595 57.579 58.100 0.122 0.000 1.038 263 Y CB 1.627 40.133 38.460 0.078 0.000 1.297 263 Y HN 0.102 nan 8.280 nan 0.000 0.467 264 T N -1.896 112.561 114.554 -0.161 0.000 2.934 264 T HA 0.360 4.710 4.350 0.001 0.000 0.283 264 T C -2.359 172.351 174.700 0.017 0.000 1.005 264 T CA -2.298 59.690 62.100 -0.186 0.000 1.041 264 T CB 1.876 70.537 68.868 -0.344 0.000 1.042 264 T HN 0.277 nan 8.240 nan 0.000 0.505 265 P HA -0.107 nan 4.420 nan 0.000 0.218 265 P C 1.239 178.663 177.300 0.208 0.000 1.148 265 P CA 1.246 64.388 63.100 0.070 0.000 0.822 265 P CB -0.137 31.552 31.700 -0.018 0.000 0.784 266 H N 0.126 119.310 119.070 0.189 0.000 2.290 266 H HA -0.174 4.382 4.556 0.000 0.000 0.298 266 H C 2.032 177.507 175.328 0.245 0.000 1.087 266 H CA 2.062 58.328 56.048 0.363 0.000 1.291 266 H CB -0.459 29.483 29.762 0.300 0.000 1.369 266 H HN 0.077 nan 8.280 nan 0.000 0.492 267 Q N 0.022 119.993 119.800 0.285 0.000 2.077 267 Q HA -0.170 4.170 4.340 0.001 0.000 0.206 267 Q C 2.598 178.613 176.000 0.024 0.000 0.989 267 Q CA 1.860 57.778 55.803 0.191 0.000 0.853 267 Q CB -0.148 28.730 28.738 0.233 0.000 0.907 267 Q HN 0.514 nan 8.270 nan 0.000 0.418 268 L N -0.068 121.145 121.223 -0.016 0.000 2.131 268 L HA -0.193 4.148 4.340 0.001 0.000 0.210 268 L C 2.274 179.031 176.870 -0.189 0.000 1.092 268 L CA 0.524 55.299 54.840 -0.108 0.000 0.759 268 L CB -0.319 41.699 42.059 -0.067 0.000 0.903 268 L HN 0.272 nan 8.230 nan 0.000 0.435 269 L N -1.406 119.633 121.223 -0.306 0.000 2.179 269 L HA -0.034 4.306 4.340 0.001 0.000 0.208 269 L C 1.557 178.002 176.870 -0.709 0.000 1.096 269 L CA 1.817 56.267 54.840 -0.650 0.000 0.779 269 L CB -0.082 41.281 42.059 -1.160 0.000 0.922 269 L HN 0.065 nan 8.230 nan 0.000 0.443 270 F N -1.966 117.840 119.950 -0.242 0.000 2.831 270 F HA 0.388 4.915 4.527 0.000 0.000 0.334 270 F C 1.792 177.535 175.800 -0.095 0.000 1.071 270 F CA 0.265 58.145 58.000 -0.200 0.000 1.172 270 F CB 0.135 38.931 39.000 -0.341 0.000 1.054 270 F HN -0.002 nan 8.300 nan 0.000 0.572 271 G N 2.128 110.982 108.800 0.089 0.000 2.196 271 G HA2 -0.346 3.615 3.960 0.001 0.000 0.268 271 G HA3 -0.346 3.615 3.960 0.001 0.000 0.268 271 G C 0.076 175.057 174.900 0.134 0.000 0.975 271 G CA 0.746 45.894 45.100 0.081 0.000 0.648 271 G HN 0.441 nan 8.290 nan 0.000 0.538 272 I N -0.237 120.448 120.570 0.192 0.000 2.722 272 I HA 0.376 4.546 4.170 0.001 0.000 0.292 272 I C -1.330 174.977 176.117 0.316 0.000 1.267 272 I CA -1.060 60.359 61.300 0.198 0.000 1.036 272 I CB 1.482 39.560 38.000 0.130 0.000 1.281 272 I HN -0.098 nan 8.210 nan 0.000 0.423 273 D N 4.929 125.477 120.400 0.247 0.000 2.423 273 D HA 0.191 4.832 4.640 0.001 0.000 0.238 273 D C 0.281 176.617 176.300 0.061 0.000 1.142 273 D CA 0.390 54.468 54.000 0.131 0.000 0.884 273 D CB 1.348 42.168 40.800 0.032 0.000 1.199 273 D HN 0.599 nan 8.370 nan 0.000 0.438 274 S N 1.530 117.151 115.700 -0.132 0.000 2.607 274 S HA 0.129 4.599 4.470 0.001 0.000 0.272 274 S C 0.449 174.990 174.600 -0.098 0.000 1.166 274 S CA -0.732 57.412 58.200 -0.093 0.000 1.021 274 S CB 0.426 63.561 63.200 -0.108 0.000 1.113 274 S HN 0.357 nan 8.310 nan 0.000 0.531 275 N N 1.622 120.278 118.700 -0.074 0.000 3.050 275 N HA 0.233 4.973 4.740 0.001 0.000 0.289 275 N C -0.462 175.010 175.510 -0.062 0.000 1.209 275 N CA -0.125 52.891 53.050 -0.056 0.000 1.154 275 N CB -0.771 37.691 38.487 -0.041 0.000 1.444 275 N HN 0.747 nan 8.380 nan 0.000 0.529 276 T N -1.090 113.421 114.554 -0.072 0.000 2.930 276 T HA 0.611 4.961 4.350 0.001 0.000 0.290 276 T C -2.692 171.997 174.700 -0.018 0.000 1.052 276 T CA -2.120 59.947 62.100 -0.054 0.000 1.017 276 T CB 1.188 70.005 68.868 -0.085 0.000 1.137 276 T HN -0.001 nan 8.240 nan 0.000 0.511 277 P HA 0.284 nan 4.420 nan 0.000 0.266 277 P C -0.284 177.136 177.300 0.200 0.000 1.195 277 P CA 0.085 63.217 63.100 0.053 0.000 0.768 277 P CB -0.322 31.486 31.700 0.181 0.000 0.838 278 F N -1.283 118.667 119.950 0.000 0.000 3.091 278 F HA -0.244 4.283 4.527 0.000 0.000 0.288 278 F C 0.971 176.791 175.800 0.034 0.000 0.907 278 F CA 0.354 58.366 58.000 0.020 0.000 1.028 278 F CB -2.144 36.876 39.000 0.034 0.000 1.022 278 F HN 0.318 nan 8.300 nan 0.000 0.665 279 A N 0.895 123.772 122.820 0.095 0.000 2.540 279 A HA 0.206 4.526 4.320 0.001 0.000 0.239 279 A C 0.774 178.424 177.584 0.109 0.000 1.061 279 A CA 0.137 52.220 52.037 0.076 0.000 0.758 279 A CB 0.183 19.194 19.000 0.018 0.000 0.991 279 A HN 0.484 nan 8.150 nan 0.000 0.502 280 N N 1.393 120.174 118.700 0.136 0.000 2.530 280 N HA 0.077 4.817 4.740 0.001 0.000 0.273 280 N C 0.217 175.790 175.510 0.105 0.000 1.173 280 N CA 0.056 53.194 53.050 0.146 0.000 0.967 280 N CB 0.703 39.311 38.487 0.202 0.000 1.109 280 N HN 0.701 nan 8.380 nan 0.000 0.453 281 Q N 1.242 121.094 119.800 0.087 0.000 2.164 281 Q HA 0.068 4.408 4.340 0.001 0.000 0.226 281 Q C -0.076 175.962 176.000 0.064 0.000 0.813 281 Q CA -0.302 55.540 55.803 0.065 0.000 0.978 281 Q CB 0.627 29.392 28.738 0.044 0.000 1.149 281 Q HN 0.594 nan 8.270 nan 0.000 0.489 282 D N 1.690 122.137 120.400 0.078 0.000 2.228 282 D HA -0.129 4.511 4.640 0.001 0.000 0.203 282 D C 1.564 177.904 176.300 0.067 0.000 0.988 282 D CA 1.858 55.900 54.000 0.071 0.000 0.864 282 D CB -0.005 40.846 40.800 0.085 0.000 0.928 282 D HN 0.339 nan 8.370 nan 0.000 0.469 283 T N -1.896 112.702 114.554 0.073 0.000 3.251 283 T HA 0.168 4.518 4.350 0.001 0.000 0.259 283 T C 1.501 176.231 174.700 0.051 0.000 0.998 283 T CA -0.389 61.749 62.100 0.063 0.000 0.905 283 T CB -0.017 68.895 68.868 0.073 0.000 1.067 283 T HN -0.147 nan 8.240 nan 0.000 0.569 284 L N 1.616 122.866 121.223 0.045 0.000 2.131 284 L HA 0.079 4.419 4.340 0.001 0.000 0.210 284 L C 1.503 178.390 176.870 0.029 0.000 1.092 284 L CA 1.627 56.488 54.840 0.035 0.000 0.759 284 L CB -0.330 41.746 42.059 0.030 0.000 0.903 284 L HN 0.285 nan 8.230 nan 0.000 0.435 285 D N -1.272 119.145 120.400 0.029 0.000 2.349 285 D HA 0.165 4.806 4.640 0.001 0.000 0.214 285 D C 0.580 176.895 176.300 0.025 0.000 1.063 285 D CA 0.126 54.141 54.000 0.024 0.000 0.847 285 D CB 0.402 41.215 40.800 0.022 0.000 0.933 285 D HN 0.215 nan 8.370 nan 0.000 0.513 286 L N 0.877 122.118 121.223 0.030 0.000 2.399 286 L HA 0.256 4.596 4.340 0.001 0.000 0.265 286 L C 1.296 178.183 176.870 0.027 0.000 1.089 286 L CA -0.574 54.283 54.840 0.029 0.000 0.802 286 L CB 1.077 43.157 42.059 0.035 0.000 1.180 286 L HN -0.084 nan 8.230 nan 0.000 0.454 287 T N -1.817 112.752 114.554 0.024 0.000 2.788 287 T HA 0.115 4.465 4.350 0.001 0.000 0.287 287 T C 0.963 175.679 174.700 0.026 0.000 1.007 287 T CA -0.523 61.590 62.100 0.022 0.000 1.005 287 T CB 1.253 70.132 68.868 0.019 0.000 1.012 287 T HN 0.591 nan 8.240 nan 0.000 0.530 288 R N 0.414 120.929 120.500 0.026 0.000 2.096 288 R HA -0.063 4.278 4.340 0.001 0.000 0.235 288 R C 2.211 178.528 176.300 0.028 0.000 1.127 288 R CA 2.023 58.142 56.100 0.030 0.000 0.968 288 R CB -1.002 29.315 30.300 0.029 0.000 0.861 288 R HN 0.922 nan 8.270 nan 0.000 0.440 289 E N -0.060 120.154 120.200 0.023 0.000 2.107 289 E HA -0.159 4.191 4.350 0.001 0.000 0.191 289 E C 1.610 178.222 176.600 0.020 0.000 0.982 289 E CA 1.192 57.604 56.400 0.020 0.000 0.809 289 E CB 0.047 29.756 29.700 0.016 0.000 0.756 289 E HN 0.485 nan 8.360 nan 0.000 0.459 290 E N 0.378 120.591 120.200 0.021 0.000 2.110 290 E HA -0.220 4.130 4.350 0.001 0.000 0.193 290 E C 1.953 178.569 176.600 0.026 0.000 0.988 290 E CA 1.022 57.435 56.400 0.022 0.000 0.804 290 E CB 0.022 29.736 29.700 0.023 0.000 0.745 290 E HN 0.259 nan 8.360 nan 0.000 0.458 291 E N 0.487 120.705 120.200 0.031 0.000 2.072 291 E HA -0.144 4.207 4.350 0.001 0.000 0.191 291 E C 2.002 178.621 176.600 0.031 0.000 0.985 291 E CA 0.594 57.017 56.400 0.038 0.000 0.801 291 E CB 0.077 29.804 29.700 0.045 0.000 0.750 291 E HN 0.214 nan 8.360 nan 0.000 0.452 292 L N 0.224 121.463 121.223 0.027 0.000 2.275 292 L HA -0.124 4.217 4.340 0.001 0.000 0.215 292 L C 2.558 179.433 176.870 0.009 0.000 1.119 292 L CA 0.566 55.417 54.840 0.019 0.000 0.790 292 L CB -0.224 41.847 42.059 0.021 0.000 0.919 292 L HN 0.146 nan 8.230 nan 0.000 0.443 293 S N 0.121 115.829 115.700 0.012 0.000 2.377 293 S HA -0.114 4.357 4.470 0.001 0.000 0.223 293 S C 1.835 176.439 174.600 0.007 0.000 1.030 293 S CA 0.684 58.889 58.200 0.009 0.000 0.970 293 S CB -0.032 63.175 63.200 0.012 0.000 0.830 293 S HN 0.302 nan 8.310 nan 0.000 0.473 294 L N 1.629 122.860 121.223 0.013 0.000 2.141 294 L HA 0.130 4.470 4.340 0.001 0.000 0.209 294 L C 2.035 178.900 176.870 -0.008 0.000 1.094 294 L CA 1.423 56.271 54.840 0.015 0.000 0.763 294 L CB -0.787 41.292 42.059 0.033 0.000 0.908 294 L HN 0.416 nan 8.230 nan 0.000 0.437 295 L N -0.382 120.832 121.223 -0.016 0.000 2.012 295 L HA -0.254 4.086 4.340 0.001 0.000 0.210 295 L C 2.484 179.318 176.870 -0.060 0.000 1.073 295 L CA 1.887 56.696 54.840 -0.052 0.000 0.748 295 L CB -0.700 41.339 42.059 -0.034 0.000 0.891 295 L HN 0.421 nan 8.230 nan 0.000 0.431 296 Q N -0.895 118.885 119.800 -0.034 0.000 2.135 296 Q HA -0.278 4.062 4.340 0.001 0.000 0.204 296 Q C 2.157 178.138 176.000 -0.031 0.000 0.981 296 Q CA 1.842 57.627 55.803 -0.030 0.000 0.856 296 Q CB -0.169 28.560 28.738 -0.016 0.000 0.902 296 Q HN 0.530 nan 8.270 nan 0.000 0.425 297 E N 0.892 121.077 120.200 -0.024 0.000 2.072 297 E HA -0.109 4.242 4.350 0.001 0.000 0.190 297 E C 1.632 178.216 176.600 -0.026 0.000 0.982 297 E CA 0.903 57.294 56.400 -0.014 0.000 0.803 297 E CB -0.131 29.570 29.700 0.002 0.000 0.755 297 E HN 0.326 nan 8.360 nan 0.000 0.453 298 I N 0.206 120.739 120.570 -0.062 0.000 2.226 298 I HA -0.258 3.913 4.170 0.001 0.000 0.245 298 I C 2.459 178.495 176.117 -0.135 0.000 1.100 298 I CA 1.088 62.311 61.300 -0.128 0.000 1.374 298 I CB -0.151 37.662 38.000 -0.312 0.000 1.057 298 I HN 0.059 nan 8.210 nan 0.000 0.413 299 R N 0.018 120.446 120.500 -0.120 0.000 2.096 299 R HA -0.157 4.183 4.340 0.001 0.000 0.235 299 R C 2.305 178.579 176.300 -0.043 0.000 1.127 299 R CA 2.044 58.091 56.100 -0.088 0.000 0.968 299 R CB -0.525 29.729 30.300 -0.077 0.000 0.861 299 R HN 0.519 nan 8.270 nan 0.000 0.440 300 T N -2.204 112.332 114.554 -0.030 0.000 3.014 300 T HA -0.033 4.318 4.350 0.001 0.000 0.263 300 T C 1.715 176.415 174.700 -0.000 0.000 1.078 300 T CA 0.876 62.966 62.100 -0.017 0.000 1.135 300 T CB 0.046 68.904 68.868 -0.016 0.000 0.895 300 T HN 0.189 nan 8.240 nan 0.000 0.480 301 S N 1.010 116.719 115.700 0.014 0.000 2.660 301 S HA 0.356 4.826 4.470 0.001 0.000 0.227 301 S C 0.486 175.136 174.600 0.082 0.000 0.948 301 S CA -0.734 57.492 58.200 0.044 0.000 0.948 301 S CB -0.938 62.294 63.200 0.054 0.000 0.779 301 S HN 0.480 nan 8.310 nan 0.000 0.487 302 L N 2.363 123.633 121.223 0.079 0.000 2.456 302 L HA 0.253 4.593 4.340 0.001 0.000 0.272 302 L C 0.600 177.571 176.870 0.169 0.000 1.189 302 L CA -0.872 54.052 54.840 0.140 0.000 0.846 302 L CB 0.106 42.236 42.059 0.119 0.000 1.111 302 L HN 0.377 nan 8.230 nan 0.000 0.475 303 Y N 3.807 124.165 120.300 0.096 0.000 2.810 303 Y HA -0.086 4.464 4.550 0.000 0.000 0.332 303 Y C -0.086 175.885 175.900 0.119 0.000 1.243 303 Y CA 0.439 58.591 58.100 0.087 0.000 1.537 303 Y CB -0.039 38.454 38.460 0.056 0.000 1.265 303 Y HN 0.418 nan 8.280 nan 0.000 0.572 304 H N 8.479 127.053 119.070 -0.826 0.000 2.689 304 H HA 0.358 4.914 4.556 0.000 0.000 0.346 304 H C -2.589 172.203 175.328 -0.894 0.000 1.037 304 H CA -2.198 53.434 56.048 -0.693 0.000 1.234 304 H CB 1.970 31.559 29.762 -0.290 0.000 1.572 304 H HN 0.614 nan 8.280 nan 0.000 0.524 305 P HA 0.087 nan 4.420 nan 0.000 0.274 305 P C -0.686 176.430 177.300 -0.305 0.000 1.237 305 P CA -0.430 62.358 63.100 -0.521 0.000 0.793 305 P CB 1.243 32.795 31.700 -0.246 0.000 0.977 306 S N -0.865 114.765 115.700 -0.116 0.000 2.593 306 S HA 0.291 4.762 4.470 0.001 0.000 0.297 306 S C 0.101 174.687 174.600 -0.024 0.000 1.112 306 S CA -0.759 57.417 58.200 -0.040 0.000 1.043 306 S CB 0.763 63.958 63.200 -0.007 0.000 1.054 306 S HN 0.541 nan 8.310 nan 0.000 0.516 307 T N 4.064 118.614 114.554 -0.006 0.000 2.765 307 T HA 0.120 4.470 4.350 0.001 0.000 0.275 307 T C -1.866 172.834 174.700 0.000 0.000 1.007 307 T CA -0.567 61.532 62.100 -0.002 0.000 1.175 307 T CB -0.643 68.227 68.868 0.004 0.000 0.993 307 T HN 0.583 nan 8.240 nan 0.000 0.510 308 P HA 0.367 nan 4.420 nan 0.000 0.274 308 P C -2.724 174.579 177.300 0.005 0.000 1.256 308 P CA -1.662 61.441 63.100 0.005 0.000 0.795 308 P CB -0.532 31.171 31.700 0.005 0.000 1.038 309 P HA 0.172 nan 4.420 nan 0.000 0.271 309 P C -0.301 177.003 177.300 0.007 0.000 1.216 309 P CA -0.075 63.030 63.100 0.008 0.000 0.776 309 P CB 0.070 31.776 31.700 0.010 0.000 0.881 310 A N 2.993 125.817 122.820 0.005 0.000 2.520 310 A HA 0.334 4.654 4.320 0.001 0.000 0.235 310 A C 0.827 178.420 177.584 0.015 0.000 1.065 310 A CA 0.112 52.152 52.037 0.006 0.000 0.764 310 A CB -0.552 18.450 19.000 0.003 0.000 1.002 310 A HN 0.647 nan 8.150 nan 0.000 0.502 311 S N 1.102 116.815 115.700 0.021 0.000 2.614 311 S HA 0.268 4.738 4.470 0.001 0.000 0.265 311 S C 1.202 175.821 174.600 0.032 0.000 1.303 311 S CA -0.017 58.200 58.200 0.029 0.000 1.000 311 S CB 0.917 64.139 63.200 0.037 0.000 0.935 311 S HN 1.443 nan 8.310 nan 0.000 0.551 312 S N 0.815 116.533 115.700 0.031 0.000 2.465 312 S HA -0.052 4.418 4.470 0.001 0.000 0.241 312 S C 0.859 175.482 174.600 0.039 0.000 1.000 312 S CA 0.503 58.721 58.200 0.031 0.000 0.964 312 S CB -0.563 62.653 63.200 0.026 0.000 0.763 312 S HN 0.780 nan 8.310 nan 0.000 0.512 313 R N 1.745 122.275 120.500 0.050 0.000 2.718 313 R HA 0.271 4.611 4.340 0.001 0.000 0.307 313 R C -0.612 175.748 176.300 0.101 0.000 1.244 313 R CA -0.049 56.089 56.100 0.063 0.000 1.348 313 R CB 0.977 31.307 30.300 0.051 0.000 1.304 313 R HN 0.472 nan 8.270 nan 0.000 0.663 314 S N 0.194 115.956 115.700 0.102 0.000 2.693 314 S HA 0.568 5.038 4.470 0.001 0.000 0.276 314 S C -0.110 174.621 174.600 0.218 0.000 1.192 314 S CA -0.784 57.498 58.200 0.138 0.000 0.994 314 S CB 1.277 64.503 63.200 0.042 0.000 1.012 314 S HN 0.454 nan 8.310 nan 0.000 0.550 315 W N -0.611 120.691 121.300 0.003 0.000 2.844 315 W HA 0.757 5.417 4.660 0.000 0.000 0.340 315 W C -1.556 174.966 176.519 0.005 0.000 1.093 315 W CA -1.125 56.218 57.345 -0.003 0.000 1.212 315 W CB 0.777 30.227 29.460 -0.017 0.000 1.422 315 W HN 0.557 nan 8.180 nan 0.000 0.515 316 S N 3.583 119.269 115.700 -0.022 0.000 2.500 316 S HA 0.542 5.012 4.470 0.001 0.000 0.301 316 S C -2.346 172.245 174.600 -0.016 0.000 1.092 316 S CA -1.023 57.046 58.200 -0.219 0.000 1.030 316 S CB 2.105 65.234 63.200 -0.119 0.000 1.031 316 S HN 0.235 nan 8.310 nan 0.000 0.483 317 P HA 0.256 nan 4.420 nan 0.000 0.271 317 P C -1.074 176.287 177.300 0.102 0.000 1.216 317 P CA -0.229 62.947 63.100 0.126 0.000 0.776 317 P CB 0.576 32.292 31.700 0.028 0.000 0.881 318 V N 3.844 123.841 119.914 0.139 0.000 2.604 318 V HA 0.133 4.254 4.120 0.001 0.000 0.305 318 V C 0.350 176.490 176.094 0.077 0.000 1.043 318 V CA -1.004 61.348 62.300 0.087 0.000 0.888 318 V CB 2.336 34.209 31.823 0.082 0.000 0.995 318 V HN 0.307 nan 8.190 nan 0.000 0.429 319 V N 4.509 124.456 119.914 0.054 0.000 2.617 319 V HA 0.348 4.469 4.120 0.001 0.000 0.304 319 V C 1.496 177.616 176.094 0.044 0.000 1.040 319 V CA 1.669 63.997 62.300 0.047 0.000 1.149 319 V CB -0.006 31.838 31.823 0.035 0.000 0.914 319 V HN 1.364 nan 8.190 nan 0.000 0.487 320 G N 3.002 111.829 108.800 0.044 0.000 2.195 320 G HA2 -0.270 3.690 3.960 0.001 0.000 0.246 320 G HA3 -0.270 3.690 3.960 0.001 0.000 0.246 320 G C 0.306 175.226 174.900 0.034 0.000 0.984 320 G CA 0.368 45.489 45.100 0.035 0.000 0.633 320 G HN 0.810 nan 8.290 nan 0.000 0.525 321 Q N 0.291 120.119 119.800 0.046 0.000 2.364 321 Q HA 0.507 4.847 4.340 0.001 0.000 0.267 321 Q C 0.468 176.479 176.000 0.018 0.000 0.999 321 Q CA -0.304 55.521 55.803 0.036 0.000 0.886 321 Q CB 0.271 29.053 28.738 0.073 0.000 1.243 321 Q HN 0.431 nan 8.270 nan 0.000 0.415 322 L N 5.177 126.389 121.223 -0.018 0.000 2.313 322 L HA 0.333 4.673 4.340 0.001 0.000 0.282 322 L C -0.284 176.536 176.870 -0.084 0.000 1.092 322 L CA -0.515 54.303 54.840 -0.037 0.000 0.831 322 L CB 0.596 42.624 42.059 -0.051 0.000 1.159 322 L HN 0.506 nan 8.230 nan 0.000 0.442 323 V N 1.192 121.073 119.914 -0.055 0.000 3.130 323 V HA 0.614 4.734 4.120 0.001 0.000 0.310 323 V C -0.985 175.089 176.094 -0.033 0.000 1.158 323 V CA -0.870 61.373 62.300 -0.094 0.000 1.029 323 V CB 2.185 34.018 31.823 0.017 0.000 1.057 323 V HN 0.758 nan 8.190 nan 0.000 0.436 324 Q N 0.705 120.479 119.800 -0.044 0.000 2.375 324 Q HA 0.513 4.853 4.340 0.001 0.000 0.271 324 Q C -1.143 175.061 176.000 0.339 0.000 1.074 324 Q CA -0.498 55.370 55.803 0.108 0.000 0.808 324 Q CB 3.134 31.884 28.738 0.020 0.000 1.327 324 Q HN 0.896 nan 8.270 nan 0.000 0.441 325 E N 2.059 122.505 120.200 0.410 0.000 2.249 325 E HA 0.178 4.528 4.350 0.001 0.000 0.280 325 E C -0.715 176.168 176.600 0.471 0.000 1.016 325 E CA -0.516 56.148 56.400 0.441 0.000 0.830 325 E CB 1.069 30.968 29.700 0.331 0.000 1.081 325 E HN 0.356 nan 8.360 nan 0.000 0.395 326 R N 2.985 123.592 120.500 0.179 0.000 2.537 326 R HA 0.077 4.418 4.340 0.001 0.000 0.280 326 R C -0.665 175.430 176.300 -0.341 0.000 1.058 326 R CA -0.393 55.423 56.100 -0.473 0.000 1.057 326 R CB 0.591 30.517 30.300 -0.624 0.000 0.973 326 R HN 0.331 nan 8.270 nan 0.000 0.438 327 V N 5.015 124.582 119.914 -0.578 0.000 2.585 327 V HA -0.025 4.096 4.120 0.001 0.000 0.296 327 V C 1.321 177.167 176.094 -0.414 0.000 1.035 327 V CA 0.756 62.722 62.300 -0.558 0.000 1.084 327 V CB 1.006 32.492 31.823 -0.562 0.000 0.953 327 V HN 1.054 nan 8.190 nan 0.000 0.483 328 A N 4.814 127.414 122.820 -0.367 0.000 1.872 328 A HA 0.174 4.494 4.320 0.001 0.000 0.214 328 A C 1.712 179.023 177.584 -0.454 0.000 1.187 328 A CA 1.464 53.122 52.037 -0.632 0.000 0.614 328 A CB -0.168 18.239 19.000 -0.988 0.000 0.826 328 A HN 1.045 nan 8.150 nan 0.000 0.442 329 R N 0.965 121.307 120.500 -0.263 0.000 2.681 329 R HA 0.514 4.854 4.340 0.001 0.000 0.277 329 R C -2.878 173.352 176.300 -0.117 0.000 1.563 329 R CA -1.158 54.857 56.100 -0.143 0.000 1.673 329 R CB -1.110 29.159 30.300 -0.053 0.000 1.258 329 R HN 0.507 nan 8.270 nan 0.000 0.650 330 P HA 0.428 nan 4.420 nan 0.000 0.276 330 P C 0.018 177.265 177.300 -0.088 0.000 1.235 330 P CA -0.089 62.929 63.100 -0.137 0.000 0.772 330 P CB 1.632 33.224 31.700 -0.180 0.000 0.871 331 A N 3.074 125.855 122.820 -0.066 0.000 2.429 331 A HA 0.221 4.541 4.320 0.001 0.000 0.242 331 A C 0.783 178.340 177.584 -0.044 0.000 1.088 331 A CA -0.180 51.830 52.037 -0.044 0.000 0.784 331 A CB -0.322 18.660 19.000 -0.031 0.000 1.038 331 A HN 0.598 nan 8.150 nan 0.000 0.501 332 S N -0.175 115.506 115.700 -0.032 0.000 2.546 332 S HA 0.263 4.734 4.470 0.001 0.000 0.290 332 S C 0.717 175.300 174.600 -0.027 0.000 1.290 332 S CA 0.457 58.640 58.200 -0.028 0.000 1.069 332 S CB -0.806 62.382 63.200 -0.020 0.000 0.846 332 S HN 1.207 nan 8.310 nan 0.000 0.495 333 L N 1.782 122.988 121.223 -0.028 0.000 4.232 333 L HA -0.195 4.146 4.340 0.001 0.000 0.415 333 L C 0.164 177.016 176.870 -0.030 0.000 1.168 333 L CA 0.420 55.245 54.840 -0.025 0.000 0.966 333 L CB -1.315 40.733 42.059 -0.019 0.000 2.052 333 L HN 0.604 nan 8.230 nan 0.000 0.887 334 R N -0.286 120.190 120.500 -0.040 0.000 2.778 334 R HA 0.637 4.978 4.340 0.001 0.000 0.277 334 R C -2.186 174.078 176.300 -0.059 0.000 0.977 334 R CA -2.122 53.950 56.100 -0.045 0.000 0.950 334 R CB 0.605 30.875 30.300 -0.049 0.000 1.165 334 R HN -0.247 nan 8.270 nan 0.000 0.474 335 P HA 0.144 nan 4.420 nan 0.000 0.267 335 P C 0.344 177.570 177.300 -0.124 0.000 1.200 335 P CA -0.110 62.963 63.100 -0.044 0.000 0.772 335 P CB 0.665 32.358 31.700 -0.012 0.000 0.855 336 R N 0.609 121.022 120.500 -0.145 0.000 2.300 336 R HA 0.175 4.516 4.340 0.001 0.000 0.199 336 R C -0.453 175.413 176.300 -0.724 0.000 0.920 336 R CA 0.288 56.139 56.100 -0.414 0.000 1.046 336 R CB -0.128 29.924 30.300 -0.413 0.000 0.984 336 R HN 0.548 nan 8.270 nan 0.000 0.493 337 W N -0.328 120.884 121.300 -0.145 0.000 2.761 337 W HA 0.392 5.053 4.660 0.001 0.000 0.340 337 W C 0.424 176.839 176.519 -0.174 0.000 1.072 337 W CA -0.847 56.413 57.345 -0.142 0.000 1.215 337 W CB 0.693 30.113 29.460 -0.066 0.000 1.420 337 W HN -0.058 nan 8.180 nan 0.000 0.519 338 H N 1.129 120.332 119.070 0.222 0.000 2.581 338 H HA 0.223 4.779 4.556 0.000 0.000 0.369 338 H C 0.146 175.541 175.328 0.112 0.000 1.351 338 H CA -0.112 56.017 56.048 0.135 0.000 1.434 338 H CB 0.675 30.512 29.762 0.125 0.000 1.558 338 H HN 0.161 nan 8.280 nan 0.000 0.608 339 K N 1.093 121.607 120.400 0.190 0.000 2.286 339 K HA 0.100 4.420 4.320 0.001 0.000 0.256 339 K C -2.154 174.465 176.600 0.033 0.000 0.999 339 K CA -1.088 55.210 56.287 0.019 0.000 0.908 339 K CB -0.330 32.050 32.500 -0.201 0.000 0.981 339 K HN 0.347 nan 8.250 nan 0.000 0.500 340 P HA -0.039 nan 4.420 nan 0.000 0.269 340 P C -0.977 176.334 177.300 0.018 0.000 1.217 340 P CA 0.119 63.212 63.100 -0.010 0.000 0.783 340 P CB 0.804 32.480 31.700 -0.040 0.000 0.898 341 S N -0.715 115.008 115.700 0.038 0.000 2.656 341 S HA 0.703 5.174 4.470 0.001 0.000 0.273 341 S C -1.126 173.504 174.600 0.050 0.000 1.168 341 S CA -0.751 57.487 58.200 0.064 0.000 0.817 341 S CB 1.120 64.376 63.200 0.093 0.000 1.146 341 S HN 0.292 nan 8.310 nan 0.000 0.475 342 T N 1.087 115.674 114.554 0.055 0.000 2.856 342 T HA 0.575 4.925 4.350 0.001 0.000 0.283 342 T C -0.437 174.298 174.700 0.058 0.000 1.008 342 T CA -0.667 61.462 62.100 0.048 0.000 0.997 342 T CB 1.470 70.362 68.868 0.039 0.000 0.992 342 T HN 0.632 nan 8.240 nan 0.000 0.454 343 V N 4.511 124.464 119.914 0.064 0.000 2.397 343 V HA 0.101 4.221 4.120 0.001 0.000 0.262 343 V C 1.350 177.477 176.094 0.055 0.000 1.047 343 V CA 0.082 62.425 62.300 0.072 0.000 1.003 343 V CB -0.417 31.460 31.823 0.091 0.000 1.037 343 V HN 0.814 nan 8.190 nan 0.000 0.480 344 L N 3.237 124.490 121.223 0.050 0.000 2.034 344 L HA 0.124 4.465 4.340 0.001 0.000 0.203 344 L C 1.244 178.137 176.870 0.038 0.000 1.074 344 L CA 1.299 56.162 54.840 0.040 0.000 0.748 344 L CB -0.009 42.071 42.059 0.036 0.000 0.905 344 L HN 0.502 nan 8.230 nan 0.000 0.439 345 K N -0.393 120.031 120.400 0.041 0.000 2.468 345 K HA 0.364 4.684 4.320 0.001 0.000 0.252 345 K C -1.243 175.380 176.600 0.038 0.000 0.932 345 K CA -0.532 55.776 56.287 0.036 0.000 0.794 345 K CB 2.449 34.968 32.500 0.032 0.000 1.241 345 K HN -0.300 nan 8.250 nan 0.000 0.428 346 V N 6.995 126.928 119.914 0.032 0.000 2.313 346 V HA 0.055 4.175 4.120 0.001 0.000 0.252 346 V C 1.495 177.601 176.094 0.019 0.000 1.112 346 V CA -0.073 62.242 62.300 0.024 0.000 0.984 346 V CB 0.018 31.852 31.823 0.018 0.000 1.157 346 V HN 0.858 nan 8.190 nan 0.000 0.493 347 L N 2.965 124.202 121.223 0.023 0.000 1.989 347 L HA -0.109 4.231 4.340 0.001 0.000 0.211 347 L C 1.084 177.966 176.870 0.020 0.000 1.071 347 L CA 1.639 56.495 54.840 0.026 0.000 0.749 347 L CB -0.223 41.857 42.059 0.036 0.000 0.890 347 L HN 0.913 nan 8.230 nan 0.000 0.431 348 N N -3.421 115.285 118.700 0.010 0.000 2.972 348 N HA 0.263 5.003 4.740 0.001 0.000 0.262 348 N C -2.543 172.954 175.510 -0.022 0.000 1.478 348 N CA -1.661 51.390 53.050 0.002 0.000 0.841 348 N CB 0.296 38.790 38.487 0.012 0.000 1.512 348 N HN -0.371 nan 8.380 nan 0.000 0.548 349 P HA 0.045 nan 4.420 nan 0.000 0.239 349 P C 0.163 177.393 177.300 -0.116 0.000 1.184 349 P CA 0.833 63.891 63.100 -0.070 0.000 0.760 349 P CB 0.194 31.857 31.700 -0.062 0.000 0.884 350 R N -1.842 118.608 120.500 -0.084 0.000 2.509 350 R HA 0.248 4.588 4.340 0.001 0.000 0.297 350 R C -0.104 176.143 176.300 -0.088 0.000 0.951 350 R CA 0.412 56.448 56.100 -0.106 0.000 1.103 350 R CB 0.608 30.872 30.300 -0.060 0.000 1.283 350 R HN 0.139 nan 8.270 nan 0.000 0.534 351 T N 0.989 115.514 114.554 -0.049 0.000 2.921 351 T HA 0.471 4.821 4.350 0.001 0.000 0.297 351 T C -0.436 174.266 174.700 0.004 0.000 1.013 351 T CA -0.711 61.379 62.100 -0.018 0.000 0.990 351 T CB 2.475 71.351 68.868 0.014 0.000 1.023 351 T HN 0.004 nan 8.240 nan 0.000 0.447 352 V N -0.107 119.822 119.914 0.024 0.000 3.078 352 V HA 0.918 5.038 4.120 0.001 0.000 0.311 352 V C -0.949 175.178 176.094 0.056 0.000 1.138 352 V CA -1.009 61.317 62.300 0.044 0.000 1.007 352 V CB 1.878 33.739 31.823 0.063 0.000 1.045 352 V HN 0.681 nan 8.190 nan 0.000 0.432 353 V N 4.522 124.468 119.914 0.054 0.000 2.472 353 V HA 0.624 4.744 4.120 0.001 0.000 0.290 353 V C 0.135 176.265 176.094 0.059 0.000 1.037 353 V CA -0.257 62.075 62.300 0.054 0.000 0.908 353 V CB 1.150 32.999 31.823 0.045 0.000 0.985 353 V HN 0.984 nan 8.190 nan 0.000 0.454 354 I N 2.542 123.148 120.570 0.060 0.000 2.689 354 I HA 0.692 4.862 4.170 0.001 0.000 0.299 354 I C -1.032 175.114 176.117 0.048 0.000 1.059 354 I CA -1.180 60.157 61.300 0.063 0.000 1.055 354 I CB 2.091 40.140 38.000 0.081 0.000 1.243 354 I HN 0.481 nan 8.210 nan 0.000 0.425 355 L N 4.513 125.764 121.223 0.047 0.000 2.257 355 L HA 0.396 4.736 4.340 0.001 0.000 0.290 355 L C 0.287 177.187 176.870 0.050 0.000 1.044 355 L CA 0.271 55.133 54.840 0.038 0.000 0.810 355 L CB 0.664 42.744 42.059 0.034 0.000 1.193 355 L HN 0.794 nan 8.230 nan 0.000 0.425 356 D N 2.172 122.593 120.400 0.035 0.000 2.325 356 D HA 0.016 4.657 4.640 0.001 0.000 0.234 356 D C 1.119 177.499 176.300 0.134 0.000 1.122 356 D CA 0.798 54.834 54.000 0.060 0.000 0.850 356 D CB -0.354 40.449 40.800 0.005 0.000 0.921 356 D HN 0.957 nan 8.370 nan 0.000 0.513 357 H N -2.178 116.892 119.070 -0.000 0.000 4.339 357 H HA -0.273 4.283 4.556 0.001 0.000 0.128 357 H C 0.227 175.554 175.328 -0.002 0.000 0.719 357 H CA 1.574 57.623 56.048 0.002 0.000 1.252 357 H CB -1.783 27.984 29.762 0.009 0.000 0.741 357 H HN 0.281 nan 8.280 nan 0.000 0.528 358 L N 0.509 121.460 121.223 -0.452 0.000 2.072 358 L HA 0.196 4.536 4.340 0.001 0.000 0.205 358 L C 1.715 178.485 176.870 -0.168 0.000 1.079 358 L CA 1.053 55.671 54.840 -0.370 0.000 0.752 358 L CB -0.104 41.796 42.059 -0.265 0.000 0.906 358 L HN 0.591 nan 8.230 nan 0.000 0.436 359 G N -0.447 108.294 108.800 -0.099 0.000 2.544 359 G HA2 0.443 4.403 3.960 0.001 0.000 0.313 359 G HA3 0.443 4.403 3.960 0.001 0.000 0.313 359 G C -1.067 173.804 174.900 -0.048 0.000 1.316 359 G CA -0.473 44.580 45.100 -0.078 0.000 0.944 359 G HN -0.047 nan 8.290 nan 0.000 0.489 360 N N 0.902 119.573 118.700 -0.048 0.000 2.489 360 N HA 0.309 5.049 4.740 0.001 0.000 0.284 360 N C -0.368 175.137 175.510 -0.008 0.000 1.158 360 N CA -0.812 52.221 53.050 -0.028 0.000 0.965 360 N CB 0.923 39.389 38.487 -0.035 0.000 1.195 360 N HN 0.328 nan 8.380 nan 0.000 0.506 361 N N 0.749 119.449 118.700 0.001 0.000 2.458 361 N HA 0.254 4.995 4.740 0.001 0.000 0.270 361 N C -0.563 174.957 175.510 0.016 0.000 1.102 361 N CA 0.081 53.139 53.050 0.014 0.000 0.967 361 N CB 0.597 39.093 38.487 0.016 0.000 1.078 361 N HN 0.246 nan 8.380 nan 0.000 0.471 362 R N 0.871 121.388 120.500 0.028 0.000 2.575 362 R HA 0.433 4.774 4.340 0.001 0.000 0.293 362 R C -0.799 175.531 176.300 0.051 0.000 0.983 362 R CA -0.701 55.421 56.100 0.036 0.000 0.887 362 R CB 1.701 32.023 30.300 0.036 0.000 1.184 362 R HN 0.390 nan 8.270 nan 0.000 0.445 363 T N 2.156 116.743 114.554 0.055 0.000 2.767 363 T HA 0.431 4.781 4.350 0.001 0.000 0.288 363 T C -0.554 174.192 174.700 0.075 0.000 0.963 363 T CA -0.373 61.765 62.100 0.064 0.000 1.019 363 T CB 1.262 70.171 68.868 0.068 0.000 0.923 363 T HN 0.128 nan 8.240 nan 0.000 0.468 364 V N 2.267 122.224 119.914 0.070 0.000 2.932 364 V HA 0.495 4.615 4.120 0.001 0.000 0.307 364 V C -0.121 175.993 176.094 0.033 0.000 1.147 364 V CA -0.919 61.426 62.300 0.076 0.000 0.951 364 V CB 2.557 34.442 31.823 0.102 0.000 1.031 364 V HN 0.919 nan 8.190 nan 0.000 0.426 365 S N 3.550 119.236 115.700 -0.022 0.000 2.565 365 S HA 0.307 4.777 4.470 0.001 0.000 0.276 365 S C 1.325 175.895 174.600 -0.049 0.000 1.326 365 S CA -0.034 58.065 58.200 -0.167 0.000 1.045 365 S CB 0.693 63.558 63.200 -0.558 0.000 0.918 365 S HN 0.737 nan 8.310 nan 0.000 0.505 366 I N 0.985 121.513 120.570 -0.071 0.000 2.614 366 I HA 0.013 4.183 4.170 0.001 0.000 0.258 366 I C 1.111 177.312 176.117 0.141 0.000 1.189 366 I CA 1.083 62.391 61.300 0.014 0.000 1.462 366 I CB -0.335 37.501 38.000 -0.275 0.000 1.092 366 I HN 0.417 nan 8.210 nan 0.000 0.442 367 D N 1.998 122.442 120.400 0.073 0.000 2.265 367 D HA -0.124 4.517 4.640 0.001 0.000 0.208 367 D C 1.067 177.520 176.300 0.253 0.000 0.977 367 D CA 0.967 55.081 54.000 0.191 0.000 0.871 367 D CB -0.300 40.656 40.800 0.259 0.000 0.925 367 D HN 0.484 nan 8.370 nan 0.000 0.485 368 N N 0.045 118.880 118.700 0.224 0.000 2.320 368 N HA 0.159 4.899 4.740 0.001 0.000 0.237 368 N C -0.292 175.453 175.510 0.392 0.000 1.129 368 N CA 0.051 53.252 53.050 0.250 0.000 0.854 368 N CB 1.060 39.654 38.487 0.180 0.000 1.083 368 N HN 0.195 nan 8.380 nan 0.000 0.504 369 L N 0.508 122.025 121.223 0.490 0.000 2.388 369 L HA 0.479 4.820 4.340 0.001 0.000 0.264 369 L C -0.348 176.750 176.870 0.379 0.000 0.998 369 L CA -0.980 54.169 54.840 0.516 0.000 0.817 369 L CB 2.443 44.803 42.059 0.502 0.000 1.338 369 L HN -0.020 nan 8.230 nan 0.000 0.414 370 K N 1.244 121.553 120.400 -0.152 0.000 2.318 370 K HA 0.677 4.997 4.320 0.001 0.000 0.249 370 K C -2.885 173.236 176.600 -0.799 0.000 0.942 370 K CA -1.978 53.938 56.287 -0.620 0.000 0.808 370 K CB 1.970 33.873 32.500 -0.994 0.000 1.189 370 K HN 0.101 nan 8.250 nan 0.000 0.428 371 P HA 0.022 nan 4.420 nan 0.000 0.276 371 P C -0.623 176.336 177.300 -0.569 0.000 1.235 371 P CA -0.160 62.413 63.100 -0.879 0.000 0.772 371 P CB 0.708 31.839 31.700 -0.949 0.000 0.871 372 T N 2.564 116.883 114.554 -0.392 0.000 2.908 372 T HA 0.074 4.424 4.350 0.001 0.000 0.301 372 T C 0.803 175.318 174.700 -0.307 0.000 1.019 372 T CA 0.509 62.425 62.100 -0.308 0.000 1.152 372 T CB -0.194 68.558 68.868 -0.193 0.000 0.966 372 T HN 0.280 nan 8.240 nan 0.000 0.540 373 S N 2.726 118.215 115.700 -0.352 0.000 2.592 373 S HA 0.176 4.646 4.470 0.001 0.000 0.271 373 S C 0.684 175.032 174.600 -0.420 0.000 1.326 373 S CA -0.626 57.261 58.200 -0.522 0.000 1.024 373 S CB 0.146 62.873 63.200 -0.788 0.000 0.921 373 S HN 0.978 nan 8.310 nan 0.000 0.527 374 H N 0.459 119.466 119.070 -0.104 0.000 3.080 374 H HA -0.167 4.389 4.556 0.000 0.000 0.254 374 H C 0.162 175.446 175.328 -0.074 0.000 1.179 374 H CA 1.012 57.011 56.048 -0.081 0.000 1.144 374 H CB -2.142 27.572 29.762 -0.080 0.000 1.261 374 H HN 0.841 nan 8.280 nan 0.000 0.333 375 Q N 0.000 119.782 119.800 -0.030 0.000 2.315 375 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 375 Q CA 0.000 55.783 55.803 -0.033 0.000 1.022 375 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481