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 3c8h_1_A DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EXFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTXXXXXXQP QSXQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAP DATA SEQUENCE SPDRLELREG WRKLLPQAIA DPLNPQSWKG GLGHAVSALE XPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TGDVXXXERP LAVLLDGEFW DATA SEQUENCE AQSXPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PXIXRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLX QGLIDLWQPL FH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.452 176.094 -1.071 0.000 1.182 6 V CA 0.000 61.559 62.300 -1.236 0.000 1.235 6 V CB 0.000 31.384 31.823 -0.732 0.000 1.184 7 G N 3.761 111.664 108.800 -1.494 0.000 2.258 7 G HA2 -0.219 3.719 3.960 -0.036 0.000 0.233 7 G HA3 -0.219 3.719 3.960 -0.036 0.000 0.233 7 G C 0.495 175.359 174.900 -0.060 0.000 1.006 7 G CA 0.596 45.331 45.100 -0.609 0.000 0.620 7 G HN 1.868 nan 8.290 nan 0.000 0.511 8 S N 0.465 116.114 115.700 -0.085 0.000 2.576 8 S HA 0.438 4.887 4.470 -0.036 0.000 0.272 8 S C 1.120 175.885 174.600 0.276 0.000 1.352 8 S CA 0.870 59.131 58.200 0.102 0.000 1.021 8 S CB 1.770 65.005 63.200 0.059 0.000 0.887 8 S HN 0.608 nan 8.310 nan 0.000 0.542 9 E N 1.502 121.840 120.200 0.230 0.000 2.153 9 E HA -0.144 4.184 4.350 -0.036 0.000 0.194 9 E C 1.908 178.641 176.600 0.221 0.000 0.988 9 E CA 1.846 58.396 56.400 0.251 0.000 0.811 9 E CB -0.537 29.245 29.700 0.137 0.000 0.746 9 E HN 0.787 nan 8.360 nan 0.000 0.466 10 S N -0.954 114.839 115.700 0.155 0.000 2.436 10 S HA -0.110 4.339 4.470 -0.036 0.000 0.228 10 S C 1.830 176.476 174.600 0.077 0.000 1.014 10 S CA 0.548 58.806 58.200 0.097 0.000 0.950 10 S CB -0.855 62.385 63.200 0.066 0.000 0.784 10 S HN 0.566 nan 8.310 nan 0.000 0.504 11 W N 1.205 122.440 121.300 -0.109 0.000 2.388 11 W HA 0.044 4.682 4.660 -0.036 0.000 0.294 11 W C 1.533 177.846 176.519 -0.344 0.000 1.212 11 W CA 0.840 58.028 57.345 -0.263 0.000 1.271 11 W CB -0.305 28.945 29.460 -0.349 0.000 1.126 11 W HN 0.288 nan 8.180 nan 0.000 0.535 12 W N 0.087 121.480 121.300 0.155 0.000 2.476 12 W HA -0.050 4.588 4.660 -0.037 0.000 0.281 12 W C 2.517 178.906 176.519 -0.217 0.000 1.230 12 W CA 0.978 58.320 57.345 -0.005 0.000 1.287 12 W CB -0.644 28.880 29.460 0.106 0.000 1.108 12 W HN -0.151 nan 8.180 nan 0.000 0.567 13 Q N -0.110 119.729 119.800 0.066 0.000 2.291 13 Q HA -0.179 4.139 4.340 -0.036 0.000 0.206 13 Q C 2.247 178.122 176.000 -0.208 0.000 0.976 13 Q CA 1.763 57.540 55.803 -0.043 0.000 0.875 13 Q CB -0.262 28.500 28.738 0.040 0.000 0.927 13 Q HN 0.205 nan 8.270 nan 0.000 0.450 14 S N -0.486 115.054 115.700 -0.267 0.000 2.562 14 S HA 0.043 4.491 4.470 -0.036 0.000 0.221 14 S C 0.450 174.788 174.600 -0.437 0.000 0.975 14 S CA -0.019 58.010 58.200 -0.285 0.000 0.918 14 S CB 0.328 63.312 63.200 -0.361 0.000 0.772 14 S HN -0.024 nan 8.310 nan 0.000 0.531 15 K N 2.286 122.317 120.400 -0.614 0.000 2.263 15 K HA 0.269 4.567 4.320 -0.036 0.000 0.272 15 K C -0.718 175.587 176.600 -0.491 0.000 1.033 15 K CA -0.332 55.643 56.287 -0.519 0.000 0.884 15 K CB 0.785 32.986 32.500 -0.499 0.000 1.107 15 K HN 0.457 nan 8.250 nan 0.000 0.460 16 H N 1.106 120.184 119.070 0.012 0.000 2.562 16 H HA 0.271 4.805 4.556 -0.036 0.000 0.249 16 H C 0.669 176.096 175.328 0.166 0.000 1.195 16 H CA -0.321 55.784 56.048 0.094 0.000 0.938 16 H CB 1.108 30.900 29.762 0.050 0.000 1.891 16 H HN 0.957 nan 8.280 nan 0.000 0.595 17 G N 1.464 110.449 108.800 0.309 0.000 2.354 17 G HA2 -0.126 3.813 3.960 -0.036 0.000 0.582 17 G HA3 -0.126 3.813 3.960 -0.036 0.000 0.582 17 G C -3.030 172.098 174.900 0.379 0.000 1.316 17 G CA -1.392 43.944 45.100 0.393 0.000 0.995 17 G HN -0.050 nan 8.290 nan 0.000 0.573 18 P HA 0.278 nan 4.420 nan 0.000 0.265 18 P C -0.221 177.142 177.300 0.104 0.000 1.187 18 P CA 0.511 63.686 63.100 0.124 0.000 0.766 18 P CB 0.456 32.044 31.700 -0.186 0.000 0.820 19 E N 1.798 122.053 120.200 0.092 0.000 2.212 19 E HA 0.574 4.902 4.350 -0.036 0.000 0.270 19 E C -0.841 175.785 176.600 0.044 0.000 0.956 19 E CA -0.626 55.712 56.400 -0.103 0.000 0.825 19 E CB 1.292 31.044 29.700 0.088 0.000 1.167 19 E HN 0.473 nan 8.360 nan 0.000 0.400 20 W N 0.124 121.450 121.300 0.044 0.000 3.083 20 W HA 0.567 5.205 4.660 -0.037 0.000 0.333 20 W C -1.278 175.379 176.519 0.229 0.000 1.217 20 W CA -0.756 56.653 57.345 0.107 0.000 1.170 20 W CB 1.083 30.588 29.460 0.074 0.000 1.437 20 W HN 0.231 nan 8.180 nan 0.000 0.557 21 Q N 1.756 121.880 119.800 0.540 0.000 2.320 21 Q HA 0.288 4.607 4.340 -0.036 0.000 0.272 21 Q C -0.987 174.993 176.000 -0.034 0.000 1.023 21 Q CA -1.224 54.780 55.803 0.336 0.000 0.855 21 Q CB 3.309 32.115 28.738 0.113 0.000 1.367 21 Q HN 0.643 nan 8.270 nan 0.000 0.406 22 R N 2.621 122.801 120.500 -0.533 0.000 2.449 22 R HA 0.108 4.426 4.340 -0.036 0.000 0.296 22 R C 0.276 176.281 176.300 -0.493 0.000 1.047 22 R CA 0.350 55.721 56.100 -1.216 0.000 1.018 22 R CB 0.365 30.045 30.300 -1.033 0.000 0.962 22 R HN 0.650 nan 8.270 nan 0.000 0.428 23 L N 3.148 124.128 121.223 -0.405 0.000 2.185 23 L HA 0.125 4.444 4.340 -0.036 0.000 0.198 23 L C 0.811 177.581 176.870 -0.167 0.000 1.079 23 L CA 0.569 55.286 54.840 -0.205 0.000 0.780 23 L CB -0.340 41.636 42.059 -0.138 0.000 0.955 23 L HN 0.647 nan 8.230 nan 0.000 0.462 24 N N -0.054 118.549 118.700 -0.162 0.000 2.431 24 N HA -0.002 4.716 4.740 -0.036 0.000 0.289 24 N C -0.066 175.367 175.510 -0.128 0.000 1.277 24 N CA -0.336 52.647 53.050 -0.112 0.000 0.972 24 N CB 0.599 39.046 38.487 -0.066 0.000 1.143 24 N HN -0.000 nan 8.380 nan 0.000 0.578 25 D N -0.679 119.682 120.400 -0.065 0.000 2.347 25 D HA 0.023 4.641 4.640 -0.036 0.000 0.215 25 D C -0.423 175.880 176.300 0.004 0.000 0.976 25 D CA 1.010 54.991 54.000 -0.032 0.000 0.884 25 D CB 0.426 41.223 40.800 -0.005 0.000 0.915 25 D HN 0.354 nan 8.370 nan 0.000 0.526 29 E N 2.846 123.126 120.200 0.133 0.000 2.200 29 E HA 0.642 4.971 4.350 -0.036 0.000 0.283 29 E C -1.593 175.079 176.600 0.120 0.000 1.015 29 E CA -0.403 56.030 56.400 0.055 0.000 0.819 29 E CB 1.350 31.045 29.700 -0.009 0.000 1.081 29 E HN 0.399 nan 8.360 nan 0.000 0.397 30 V N 3.685 123.594 119.914 -0.008 0.000 2.604 30 V HA 0.368 4.466 4.120 -0.036 0.000 0.305 30 V C -0.118 175.839 176.094 -0.228 0.000 1.043 30 V CA -0.737 61.527 62.300 -0.060 0.000 0.888 30 V CB 2.069 33.813 31.823 -0.132 0.000 0.995 30 V HN 0.686 nan 8.190 nan 0.000 0.429 31 T N 4.827 119.204 114.554 -0.294 0.000 2.824 31 T HA 0.695 5.023 4.350 -0.036 0.000 0.282 31 T C -0.862 173.518 174.700 -0.535 0.000 0.993 31 T CA -0.113 61.734 62.100 -0.422 0.000 0.967 31 T CB 0.773 69.307 68.868 -0.557 0.000 0.960 31 T HN 0.305 nan 8.240 nan 0.000 0.441 32 F N 1.766 121.585 119.950 -0.218 0.000 2.458 32 F HA 0.626 5.131 4.527 -0.037 0.000 0.330 32 F C 0.010 175.746 175.800 -0.107 0.000 1.082 32 F CA -0.866 57.174 58.000 0.066 0.000 0.995 32 F CB 1.332 40.521 39.000 0.315 0.000 1.170 32 F HN 0.334 nan 8.300 nan 0.000 0.478 33 W N 1.623 123.278 121.300 0.592 0.000 2.781 33 W HA 0.347 4.985 4.660 -0.037 0.000 0.345 33 W C -1.589 175.324 176.519 0.656 0.000 1.085 33 W CA -1.327 56.368 57.345 0.585 0.000 1.198 33 W CB 2.102 31.879 29.460 0.529 0.000 1.423 33 W HN 0.585 nan 8.180 nan 0.000 0.532 34 W N 3.884 125.593 121.300 0.681 0.000 3.405 34 W HA 0.411 5.049 4.660 -0.037 0.000 0.329 34 W C -1.146 175.642 176.519 0.448 0.000 1.142 34 W CA -0.966 56.596 57.345 0.362 0.000 1.235 34 W CB 1.059 30.422 29.460 -0.161 0.000 1.341 34 W HN 0.241 nan 8.180 nan 0.000 0.481 35 R N 4.621 124.650 120.500 -0.784 0.000 2.202 35 R HA 0.140 4.458 4.340 -0.036 0.000 0.334 35 R C -0.388 175.057 176.300 -1.424 0.000 1.036 35 R CA -0.405 55.011 56.100 -1.139 0.000 0.878 35 R CB 0.626 29.717 30.300 -2.015 0.000 1.067 35 R HN 0.432 nan 8.270 nan 0.000 0.457 36 D N 5.850 125.697 120.400 -0.922 0.000 2.401 36 D HA 0.046 4.664 4.640 -0.036 0.000 0.254 36 D C -1.677 174.381 176.300 -0.403 0.000 1.192 36 D CA -1.938 51.584 54.000 -0.798 0.000 0.885 36 D CB 1.707 42.580 40.800 0.120 0.000 1.147 36 D HN 0.374 nan 8.370 nan 0.000 0.478 37 P HA 0.021 nan 4.420 nan 0.000 0.241 37 P C 0.335 177.608 177.300 -0.046 0.000 1.191 37 P CA 0.652 63.654 63.100 -0.165 0.000 0.771 37 P CB 0.314 31.955 31.700 -0.099 0.000 0.929 38 Q N -0.669 119.147 119.800 0.025 0.000 2.198 38 Q HA 0.364 4.682 4.340 -0.036 0.000 0.209 38 Q C 0.938 177.015 176.000 0.130 0.000 0.848 38 Q CA 0.128 55.981 55.803 0.084 0.000 0.974 38 Q CB 0.351 29.167 28.738 0.130 0.000 1.115 38 Q HN 0.146 nan 8.270 nan 0.000 0.494 39 G N 1.393 110.250 108.800 0.095 0.000 2.499 39 G HA2 -0.301 3.638 3.960 -0.036 0.000 0.232 39 G HA3 -0.301 3.638 3.960 -0.036 0.000 0.232 39 G C 0.003 175.011 174.900 0.179 0.000 1.251 39 G CA -0.231 44.949 45.100 0.133 0.000 0.917 39 G HN 0.458 nan 8.290 nan 0.000 0.580 40 S N 0.244 116.065 115.700 0.200 0.000 2.686 40 S HA 0.523 4.972 4.470 -0.036 0.000 0.270 40 S C 1.530 176.182 174.600 0.086 0.000 1.194 40 S CA 0.864 59.133 58.200 0.115 0.000 0.990 40 S CB 1.446 64.684 63.200 0.062 0.000 1.029 40 S HN 1.428 nan 8.310 nan 0.000 0.560 41 E N 0.046 120.249 120.200 0.005 0.000 2.401 41 E HA -0.218 4.111 4.350 -0.036 0.000 0.199 41 E C 1.445 178.000 176.600 -0.075 0.000 1.023 41 E CA 1.409 57.807 56.400 -0.003 0.000 0.859 41 E CB -0.481 29.193 29.700 -0.044 0.000 0.780 41 E HN 0.892 nan 8.360 nan 0.000 0.523 42 E N 0.127 120.199 120.200 -0.215 0.000 2.152 42 E HA -0.153 4.175 4.350 -0.036 0.000 0.192 42 E C 0.848 177.132 176.600 -0.527 0.000 0.983 42 E CA 1.039 57.154 56.400 -0.475 0.000 0.818 42 E CB -0.045 29.183 29.700 -0.786 0.000 0.758 42 E HN 0.386 nan 8.360 nan 0.000 0.467 43 Y N -0.790 119.533 120.300 0.039 0.000 2.444 43 Y HA 0.349 4.877 4.550 -0.036 0.000 0.252 43 Y C 0.841 176.777 175.900 0.059 0.000 1.091 43 Y CA -0.169 57.955 58.100 0.040 0.000 1.276 43 Y CB 0.372 38.850 38.460 0.031 0.000 1.170 43 Y HN -0.135 nan 8.280 nan 0.000 0.517 44 S N 0.469 116.287 115.700 0.198 0.000 2.528 44 S HA 0.080 4.528 4.470 -0.036 0.000 0.277 44 S C 1.196 175.890 174.600 0.157 0.000 1.297 44 S CA -0.146 58.172 58.200 0.197 0.000 1.052 44 S CB 0.711 64.068 63.200 0.262 0.000 0.917 44 S HN 0.350 nan 8.310 nan 0.000 0.492 45 T N 4.882 119.517 114.554 0.135 0.000 3.072 45 T HA 0.078 4.407 4.350 -0.036 0.000 0.266 45 T C 0.588 175.344 174.700 0.094 0.000 1.127 45 T CA 0.510 62.668 62.100 0.096 0.000 1.107 45 T CB -0.187 68.725 68.868 0.073 0.000 0.910 45 T HN 0.481 nan 8.240 nan 0.000 0.513 46 I N 2.227 122.880 120.570 0.138 0.000 2.322 46 I HA 0.284 4.432 4.170 -0.036 0.000 0.292 46 I C 0.886 177.119 176.117 0.193 0.000 1.060 46 I CA -0.175 61.176 61.300 0.086 0.000 1.309 46 I CB 1.341 39.359 38.000 0.030 0.000 1.415 46 I HN -0.047 nan 8.210 nan 0.000 0.492 47 K N 4.825 125.281 120.400 0.093 0.000 2.244 47 K HA 0.207 4.505 4.320 -0.036 0.000 0.200 47 K C 0.472 177.159 176.600 0.144 0.000 1.052 47 K CA 0.728 57.117 56.287 0.170 0.000 0.980 47 K CB 0.493 33.047 32.500 0.089 0.000 0.838 47 K HN 0.378 nan 8.250 nan 0.000 0.481 48 R N -0.054 120.346 120.500 -0.166 0.000 2.854 48 R HA 0.492 4.810 4.340 -0.036 0.000 0.271 48 R C -1.157 174.614 176.300 -0.881 0.000 0.996 48 R CA -0.857 54.951 56.100 -0.487 0.000 0.961 48 R CB 2.100 32.019 30.300 -0.634 0.000 1.182 48 R HN -0.252 nan 8.270 nan 0.000 0.479 49 V N 2.040 121.329 119.914 -1.041 0.000 2.445 49 V HA 0.259 4.357 4.120 -0.036 0.000 0.283 49 V C -1.033 174.613 176.094 -0.747 0.000 1.014 49 V CA -0.963 60.751 62.300 -0.976 0.000 0.852 49 V CB 0.897 31.992 31.823 -1.214 0.000 1.021 49 V HN 0.608 nan 8.190 nan 0.000 0.435 50 W N 3.248 124.412 121.300 -0.226 0.000 2.218 50 W HA 0.566 5.204 4.660 -0.037 0.000 0.326 50 W C 0.004 176.459 176.519 -0.107 0.000 1.276 50 W CA -0.592 56.700 57.345 -0.087 0.000 1.210 50 W CB 0.926 30.509 29.460 0.205 0.000 1.143 50 W HN 0.278 nan 8.180 nan 0.000 0.563 51 V N 4.053 123.941 119.914 -0.044 0.000 2.328 51 V HA 0.103 4.201 4.120 -0.036 0.000 0.278 51 V C -1.060 174.971 176.094 -0.105 0.000 1.021 51 V CA -1.009 61.208 62.300 -0.138 0.000 0.838 51 V CB 0.232 31.707 31.823 -0.579 0.000 0.999 51 V HN 0.404 nan 8.190 nan 0.000 0.447 52 Y N 6.291 126.496 120.300 -0.157 0.000 2.593 52 Y HA 0.569 5.097 4.550 -0.037 0.000 0.331 52 Y C 0.078 175.864 175.900 -0.190 0.000 0.986 52 Y CA -0.595 57.307 58.100 -0.331 0.000 1.262 52 Y CB 0.659 38.846 38.460 -0.456 0.000 1.098 52 Y HN 0.547 nan 8.280 nan 0.000 0.506 53 I N 5.152 125.503 120.570 -0.365 0.000 2.371 53 I HA 0.151 4.299 4.170 -0.036 0.000 0.290 53 I C 0.376 176.343 176.117 -0.250 0.000 1.028 53 I CA -0.466 60.758 61.300 -0.127 0.000 1.345 53 I CB 1.191 39.146 38.000 -0.075 0.000 1.407 53 I HN 0.477 nan 8.210 nan 0.000 0.501 54 T N 5.329 119.871 114.554 -0.019 0.000 2.834 54 T HA 0.303 4.631 4.350 -0.036 0.000 0.298 54 T C 1.086 175.807 174.700 0.035 0.000 0.966 54 T CA 0.836 62.910 62.100 -0.042 0.000 1.141 54 T CB 1.000 69.876 68.868 0.013 0.000 0.905 54 T HN 1.085 nan 8.240 nan 0.000 0.535 55 G N 2.339 111.113 108.800 -0.043 0.000 2.345 55 G HA2 -0.287 3.651 3.960 -0.036 0.000 0.218 55 G HA3 -0.287 3.651 3.960 -0.036 0.000 0.218 55 G C 0.815 175.711 174.900 -0.007 0.000 1.058 55 G CA 0.124 45.239 45.100 0.025 0.000 0.632 55 G HN 0.641 nan 8.290 nan 0.000 0.508 56 V N 1.619 121.500 119.914 -0.055 0.000 3.643 56 V HA 0.307 4.405 4.120 -0.036 0.000 0.280 56 V C 1.398 177.368 176.094 -0.208 0.000 1.351 56 V CA 1.603 63.842 62.300 -0.102 0.000 1.073 56 V CB 0.708 32.454 31.823 -0.127 0.000 0.863 56 V HN 0.471 nan 8.190 nan 0.000 0.436 65 P HA 0.441 nan 4.420 nan 0.000 0.288 65 P C -1.429 175.914 177.300 0.072 0.000 1.267 65 P CA -0.446 62.554 63.100 -0.167 0.000 0.815 65 P CB 1.236 32.394 31.700 -0.904 0.000 0.989 66 Q N 0.352 120.263 119.800 0.185 0.000 2.353 66 Q HA 0.552 4.870 4.340 -0.036 0.000 0.268 66 Q C 0.011 175.995 176.000 -0.027 0.000 1.045 66 Q CA -0.659 55.251 55.803 0.179 0.000 0.811 66 Q CB 2.134 30.964 28.738 0.154 0.000 1.305 66 Q HN 0.451 nan 8.270 nan 0.000 0.447 70 R N 4.033 124.114 120.500 -0.698 0.000 2.316 70 R HA 0.374 4.692 4.340 -0.036 0.000 0.314 70 R C -0.394 175.665 176.300 -0.401 0.000 1.069 70 R CA -0.267 55.299 56.100 -0.890 0.000 0.959 70 R CB 0.319 29.859 30.300 -1.266 0.000 0.987 70 R HN 0.749 nan 8.270 nan 0.000 0.446 71 I N 4.070 124.481 120.570 -0.265 0.000 2.517 71 I HA -0.004 4.145 4.170 -0.036 0.000 0.285 71 I C 0.692 176.691 176.117 -0.198 0.000 1.106 71 I CA 0.250 61.444 61.300 -0.176 0.000 1.402 71 I CB 1.122 39.041 38.000 -0.135 0.000 1.399 71 I HN 0.643 nan 8.210 nan 0.000 0.535 72 A N 5.179 127.900 122.820 -0.164 0.000 2.477 72 A HA 0.486 4.785 4.320 -0.036 0.000 0.246 72 A C 1.219 178.735 177.584 -0.114 0.000 1.078 72 A CA 0.419 52.370 52.037 -0.144 0.000 0.770 72 A CB -0.035 18.896 19.000 -0.116 0.000 1.011 72 A HN 1.206 nan 8.150 nan 0.000 0.494 73 G N 1.397 110.139 108.800 -0.096 0.000 2.141 73 G HA2 -0.049 3.889 3.960 -0.036 0.000 0.242 73 G HA3 -0.049 3.889 3.960 -0.036 0.000 0.242 73 G C 0.371 175.236 174.900 -0.059 0.000 0.982 73 G CA 1.018 46.077 45.100 -0.067 0.000 0.662 73 G HN 2.383 nan 8.290 nan 0.000 0.527 74 T N -3.191 111.320 114.554 -0.072 0.000 2.812 74 T HA 0.587 4.915 4.350 -0.036 0.000 0.294 74 T C 0.275 174.982 174.700 0.011 0.000 1.159 74 T CA 0.426 62.498 62.100 -0.047 0.000 1.008 74 T CB 1.822 70.611 68.868 -0.132 0.000 1.289 74 T HN 0.240 nan 8.240 nan 0.000 0.514 75 D N -0.268 120.193 120.400 0.103 0.000 2.340 75 D HA 0.115 4.733 4.640 -0.036 0.000 0.217 75 D C 0.260 176.763 176.300 0.338 0.000 1.081 75 D CA -0.202 53.904 54.000 0.176 0.000 0.842 75 D CB -0.365 40.492 40.800 0.096 0.000 0.934 75 D HN 0.356 nan 8.370 nan 0.000 0.511 76 V N 1.498 121.596 119.914 0.306 0.000 2.389 76 V HA 0.200 4.298 4.120 -0.036 0.000 0.264 76 V C -0.425 175.867 176.094 0.329 0.000 1.049 76 V CA -0.744 61.850 62.300 0.491 0.000 0.932 76 V CB -0.251 31.632 31.823 0.100 0.000 1.011 76 V HN 0.040 nan 8.190 nan 0.000 0.475 77 W N 3.383 124.961 121.300 0.462 0.000 2.438 77 W HA 0.673 5.311 4.660 -0.036 0.000 0.324 77 W C 0.225 176.948 176.519 0.339 0.000 1.119 77 W CA -0.241 57.319 57.345 0.358 0.000 1.221 77 W CB 0.997 30.710 29.460 0.422 0.000 1.253 77 W HN 0.458 nan 8.180 nan 0.000 0.555 78 Q N 1.843 121.864 119.800 0.368 0.000 2.418 78 Q HA 0.436 4.754 4.340 -0.036 0.000 0.282 78 Q C -2.134 173.983 176.000 0.194 0.000 1.044 78 Q CA -0.765 55.101 55.803 0.105 0.000 0.813 78 Q CB 2.724 31.467 28.738 0.010 0.000 1.428 78 Q HN 0.648 nan 8.270 nan 0.000 0.402 79 W N 1.194 122.422 121.300 -0.121 0.000 3.363 79 W HA 0.521 5.159 4.660 -0.037 0.000 0.306 79 W C -1.804 174.711 176.519 -0.008 0.000 1.253 79 W CA -0.070 57.258 57.345 -0.029 0.000 1.195 79 W CB 1.920 31.389 29.460 0.015 0.000 1.366 79 W HN 0.478 nan 8.180 nan 0.000 0.551 80 T N 3.724 117.807 114.554 -0.786 0.000 2.937 80 T HA 0.552 4.880 4.350 -0.036 0.000 0.297 80 T C -0.657 173.441 174.700 -1.003 0.000 0.991 80 T CA -0.436 61.255 62.100 -0.682 0.000 0.990 80 T CB 1.870 70.507 68.868 -0.385 0.000 0.991 80 T HN 0.405 nan 8.240 nan 0.000 0.440 81 T N 1.987 116.063 114.554 -0.797 0.000 2.645 81 T HA 0.618 4.946 4.350 -0.036 0.000 0.273 81 T C -1.632 172.884 174.700 -0.306 0.000 0.960 81 T CA -0.559 61.137 62.100 -0.672 0.000 1.051 81 T CB 1.660 70.032 68.868 -0.827 0.000 1.366 81 T HN 0.550 nan 8.240 nan 0.000 0.536 82 Q N 0.795 120.461 119.800 -0.223 0.000 2.305 82 Q HA 0.651 4.969 4.340 -0.036 0.000 0.271 82 Q C -1.566 174.332 176.000 -0.170 0.000 1.046 82 Q CA -0.601 55.117 55.803 -0.141 0.000 0.798 82 Q CB 2.523 31.197 28.738 -0.107 0.000 1.286 82 Q HN 0.476 nan 8.270 nan 0.000 0.435 83 L N 1.793 122.927 121.223 -0.147 0.000 2.422 83 L HA 0.444 4.762 4.340 -0.036 0.000 0.264 83 L C -0.515 176.328 176.870 -0.044 0.000 0.984 83 L CA -1.023 53.669 54.840 -0.246 0.000 0.819 83 L CB 2.122 43.917 42.059 -0.439 0.000 1.330 83 L HN 0.597 nan 8.230 nan 0.000 0.410 84 N N 0.676 119.378 118.700 0.003 0.000 2.292 84 N HA 0.028 4.746 4.740 -0.036 0.000 0.242 84 N C 0.911 176.519 175.510 0.163 0.000 1.243 84 N CA 0.503 53.618 53.050 0.110 0.000 0.851 84 N CB 0.669 39.238 38.487 0.137 0.000 1.093 84 N HN 0.803 nan 8.380 nan 0.000 0.450 85 A N 1.642 124.586 122.820 0.206 0.000 2.121 85 A HA -0.169 4.129 4.320 -0.036 0.000 0.218 85 A C 1.473 179.103 177.584 0.076 0.000 1.154 85 A CA 1.269 53.447 52.037 0.235 0.000 0.679 85 A CB -0.522 18.706 19.000 0.379 0.000 0.795 85 A HN 0.852 nan 8.150 nan 0.000 0.458 86 N N -2.123 116.634 118.700 0.094 0.000 2.230 86 N HA 0.015 4.733 4.740 -0.036 0.000 0.202 86 N C -0.092 175.451 175.510 0.054 0.000 1.119 86 N CA -0.540 52.540 53.050 0.050 0.000 0.851 86 N CB -0.498 38.019 38.487 0.049 0.000 0.990 86 N HN 0.588 nan 8.380 nan 0.000 0.497 87 W N 2.064 123.306 121.300 -0.097 0.000 2.272 87 W HA 0.413 5.052 4.660 -0.035 0.000 0.318 87 W C 0.007 176.448 176.519 -0.130 0.000 1.255 87 W CA -0.846 56.441 57.345 -0.097 0.000 1.200 87 W CB 0.717 30.131 29.460 -0.076 0.000 1.170 87 W HN -0.058 nan 8.180 nan 0.000 0.549 88 R N 5.177 125.086 120.500 -0.986 0.000 2.564 88 R HA 0.730 5.048 4.340 -0.036 0.000 0.284 88 R C -0.893 174.509 176.300 -1.496 0.000 1.031 88 R CA -0.414 55.074 56.100 -1.020 0.000 0.904 88 R CB 1.441 31.435 30.300 -0.509 0.000 1.199 88 R HN 0.793 nan 8.270 nan 0.000 0.443 89 G N 0.981 109.026 108.800 -1.258 0.000 2.356 89 G HA2 0.287 4.225 3.960 -0.036 0.000 0.294 89 G HA3 0.287 4.225 3.960 -0.036 0.000 0.294 89 G C -1.571 173.282 174.900 -0.079 0.000 1.423 89 G CA -0.486 44.184 45.100 -0.715 0.000 0.806 89 G HN 0.674 nan 8.290 nan 0.000 0.527 90 S N -1.150 114.609 115.700 0.099 0.000 2.681 90 S HA 0.916 5.364 4.470 -0.036 0.000 0.299 90 S C -0.669 174.094 174.600 0.272 0.000 1.113 90 S CA -0.618 57.707 58.200 0.208 0.000 1.013 90 S CB 1.743 65.010 63.200 0.112 0.000 1.076 90 S HN 1.886 nan 8.310 nan 0.000 0.534 91 Y N -2.189 118.125 120.300 0.023 0.000 2.655 91 Y HA 0.820 5.349 4.550 -0.036 0.000 0.336 91 Y C -0.698 175.103 175.900 -0.165 0.000 1.154 91 Y CA -1.641 56.442 58.100 -0.029 0.000 1.055 91 Y CB 0.546 39.009 38.460 0.005 0.000 1.295 91 Y HN 1.187 nan 8.280 nan 0.000 0.465 92 C N -0.352 118.865 119.300 -0.138 0.000 3.241 92 C HA 0.804 5.243 4.460 -0.036 0.000 0.312 92 C C -1.181 173.734 174.990 -0.125 0.000 1.350 92 C CA -1.338 57.480 59.018 -0.333 0.000 1.415 92 C CB 0.928 28.514 27.740 -0.257 0.000 1.770 92 C HN 0.903 nan 8.230 nan 0.000 0.466 93 F N 0.619 120.517 119.950 -0.087 0.000 2.432 93 F HA 0.714 5.220 4.527 -0.036 0.000 0.329 93 F C 0.515 176.189 175.800 -0.209 0.000 1.076 93 F CA -1.092 56.802 58.000 -0.177 0.000 1.018 93 F CB 1.324 40.137 39.000 -0.312 0.000 1.201 93 F HN 0.411 nan 8.300 nan 0.000 0.489 94 I N 3.460 124.033 120.570 0.005 0.000 2.782 94 I HA 0.196 4.344 4.170 -0.036 0.000 0.279 94 I C -2.655 173.355 176.117 -0.178 0.000 1.247 94 I CA -1.883 59.397 61.300 -0.033 0.000 1.062 94 I CB 0.764 38.855 38.000 0.151 0.000 1.421 94 I HN 0.148 nan 8.210 nan 0.000 0.558 95 P HA 0.126 nan 4.420 nan 0.000 0.276 95 P C -0.204 176.924 177.300 -0.287 0.000 1.243 95 P CA 0.313 63.052 63.100 -0.601 0.000 0.768 95 P CB 1.616 32.781 31.700 -0.892 0.000 0.856 96 T N 1.165 115.577 114.554 -0.237 0.000 2.909 96 T HA 0.204 4.532 4.350 -0.036 0.000 0.299 96 T C 1.109 175.767 174.700 -0.071 0.000 1.073 96 T CA -0.609 61.435 62.100 -0.093 0.000 0.999 96 T CB 1.088 69.958 68.868 0.004 0.000 1.098 96 T HN 0.302 nan 8.240 nan 0.000 0.477 97 E N 2.734 122.917 120.200 -0.029 0.000 2.358 97 E HA -0.024 4.304 4.350 -0.036 0.000 0.195 97 E C 0.619 177.223 176.600 0.008 0.000 1.010 97 E CA 0.257 56.656 56.400 -0.002 0.000 0.856 97 E CB 0.027 29.730 29.700 0.005 0.000 0.795 97 E HN 0.650 nan 8.360 nan 0.000 0.504 98 R N 1.550 122.053 120.500 0.006 0.000 2.338 98 R HA 0.334 4.652 4.340 -0.036 0.000 0.317 98 R C -0.900 175.431 176.300 0.052 0.000 0.968 98 R CA -0.404 55.703 56.100 0.012 0.000 0.849 98 R CB 0.366 30.654 30.300 -0.020 0.000 1.128 98 R HN -0.170 nan 8.270 nan 0.000 0.448 99 D N 0.757 121.191 120.400 0.056 0.000 2.559 99 D HA -0.041 4.577 4.640 -0.036 0.000 0.234 99 D C 0.266 176.611 176.300 0.074 0.000 1.226 99 D CA -0.434 53.629 54.000 0.104 0.000 0.830 99 D CB 0.532 41.384 40.800 0.087 0.000 1.028 99 D HN 0.655 nan 8.370 nan 0.000 0.492 100 D N 0.702 121.110 120.400 0.014 0.000 2.240 100 D HA -0.073 4.545 4.640 -0.036 0.000 0.206 100 D C 0.971 177.224 176.300 -0.078 0.000 0.963 100 D CA -0.052 53.934 54.000 -0.023 0.000 0.863 100 D CB 0.095 40.869 40.800 -0.044 0.000 0.973 100 D HN 0.312 nan 8.370 nan 0.000 0.501 101 I N 0.612 121.088 120.570 -0.157 0.000 2.892 101 I HA -0.058 4.091 4.170 -0.036 0.000 0.287 101 I C 0.210 176.172 176.117 -0.258 0.000 1.205 101 I CA -0.453 60.609 61.300 -0.397 0.000 1.409 101 I CB -0.076 37.522 38.000 -0.670 0.000 1.367 101 I HN -0.177 nan 8.210 nan 0.000 0.597 102 F N 3.050 122.802 119.950 -0.329 0.000 2.907 102 F HA -0.238 4.267 4.527 -0.037 0.000 0.244 102 F C 1.480 177.274 175.800 -0.010 0.000 1.007 102 F CA 0.932 58.735 58.000 -0.328 0.000 0.872 102 F CB -2.238 36.223 39.000 -0.898 0.000 0.767 102 F HN 0.639 nan 8.300 nan 0.000 0.837 103 S N -1.758 114.024 115.700 0.137 0.000 2.564 103 S HA 0.592 5.040 4.470 -0.036 0.000 0.231 103 S C 1.071 175.719 174.600 0.080 0.000 1.067 103 S CA 0.167 58.441 58.200 0.122 0.000 0.908 103 S CB 0.151 63.397 63.200 0.076 0.000 0.809 103 S HN 0.688 nan 8.310 nan 0.000 0.491 104 A N 3.244 126.095 122.820 0.053 0.000 2.511 104 A HA 0.510 4.808 4.320 -0.036 0.000 0.242 104 A C -1.149 176.459 177.584 0.041 0.000 1.069 104 A CA -1.050 51.008 52.037 0.035 0.000 0.763 104 A CB -0.212 18.798 19.000 0.017 0.000 1.001 104 A HN 0.265 nan 8.150 nan 0.000 0.498 105 P HA -0.029 nan 4.420 nan 0.000 0.217 105 P C 0.379 177.693 177.300 0.024 0.000 1.150 105 P CA 1.388 64.508 63.100 0.033 0.000 0.832 105 P CB 0.332 32.047 31.700 0.025 0.000 0.787 106 S N -1.102 114.607 115.700 0.014 0.000 2.720 106 S HA 0.488 4.937 4.470 -0.036 0.000 0.278 106 S C -2.898 171.704 174.600 0.003 0.000 1.172 106 S CA -1.231 56.971 58.200 0.004 0.000 1.019 106 S CB 0.525 63.728 63.200 0.005 0.000 1.049 106 S HN -0.249 nan 8.310 nan 0.000 0.483 107 P HA 0.305 nan 4.420 nan 0.000 0.285 107 P C -0.647 176.657 177.300 0.007 0.000 1.259 107 P CA -0.473 62.632 63.100 0.007 0.000 0.794 107 P CB 0.561 32.274 31.700 0.022 0.000 0.940 108 D N 1.711 122.116 120.400 0.008 0.000 2.349 108 D HA -0.035 4.584 4.640 -0.036 0.000 0.239 108 D C 1.093 177.405 176.300 0.020 0.000 1.315 108 D CA -0.159 53.847 54.000 0.010 0.000 0.937 108 D CB 0.762 41.565 40.800 0.006 0.000 1.133 108 D HN 0.239 nan 8.370 nan 0.000 0.489 109 R N -0.866 119.646 120.500 0.021 0.000 2.062 109 R HA -0.114 4.204 4.340 -0.036 0.000 0.231 109 R C 2.210 178.533 176.300 0.038 0.000 1.136 109 R CA 0.757 56.878 56.100 0.034 0.000 0.948 109 R CB -0.309 30.005 30.300 0.024 0.000 0.845 109 R HN 0.408 nan 8.270 nan 0.000 0.430 110 L N 1.435 122.668 121.223 0.018 0.000 2.051 110 L HA -0.221 4.097 4.340 -0.036 0.000 0.214 110 L C 2.124 178.997 176.870 0.006 0.000 1.076 110 L CA 1.914 56.759 54.840 0.008 0.000 0.758 110 L CB -1.496 40.560 42.059 -0.005 0.000 0.890 110 L HN 0.320 nan 8.230 nan 0.000 0.433 111 E N -0.630 119.573 120.200 0.005 0.000 2.153 111 E HA -0.204 4.124 4.350 -0.036 0.000 0.194 111 E C 2.215 178.822 176.600 0.012 0.000 0.988 111 E CA 0.580 56.972 56.400 -0.013 0.000 0.811 111 E CB -0.051 29.645 29.700 -0.007 0.000 0.746 111 E HN 0.246 nan 8.360 nan 0.000 0.466 112 L N 0.636 121.911 121.223 0.087 0.000 2.023 112 L HA -0.091 4.228 4.340 -0.036 0.000 0.205 112 L C 2.264 179.274 176.870 0.233 0.000 1.073 112 L CA 1.522 56.480 54.840 0.198 0.000 0.745 112 L CB -0.719 41.491 42.059 0.252 0.000 0.900 112 L HN -0.011 nan 8.230 nan 0.000 0.435 113 R N -0.392 120.206 120.500 0.164 0.000 2.094 113 R HA -0.249 4.069 4.340 -0.036 0.000 0.239 113 R C 2.232 178.572 176.300 0.068 0.000 1.137 113 R CA 1.828 58.008 56.100 0.132 0.000 0.943 113 R CB -0.339 29.995 30.300 0.057 0.000 0.850 113 R HN 0.278 nan 8.270 nan 0.000 0.433 114 E N -0.324 119.874 120.200 -0.004 0.000 2.058 114 E HA -0.138 4.190 4.350 -0.036 0.000 0.194 114 E C 1.892 178.394 176.600 -0.163 0.000 0.997 114 E CA 1.818 58.175 56.400 -0.072 0.000 0.801 114 E CB -0.610 29.039 29.700 -0.085 0.000 0.746 114 E HN 0.404 nan 8.360 nan 0.000 0.450 115 G N -0.372 108.264 108.800 -0.274 0.000 2.459 115 G HA2 -0.275 3.663 3.960 -0.036 0.000 0.217 115 G HA3 -0.275 3.663 3.960 -0.036 0.000 0.217 115 G C 1.333 175.874 174.900 -0.597 0.000 1.183 115 G CA 0.897 45.590 45.100 -0.679 0.000 0.776 115 G HN 0.415 nan 8.290 nan 0.000 0.552 116 W N 0.335 121.544 121.300 -0.152 0.000 2.425 116 W HA 0.136 4.775 4.660 -0.036 0.000 0.277 116 W C 2.761 179.163 176.519 -0.195 0.000 1.231 116 W CA 0.407 57.675 57.345 -0.129 0.000 1.248 116 W CB 0.029 29.491 29.460 0.003 0.000 1.117 116 W HN 0.059 nan 8.180 nan 0.000 0.568 117 R N 1.227 121.741 120.500 0.024 0.000 2.081 117 R HA -0.177 4.141 4.340 -0.036 0.000 0.235 117 R C 1.590 177.845 176.300 -0.076 0.000 1.131 117 R CA 1.549 57.632 56.100 -0.028 0.000 0.960 117 R CB -0.090 30.187 30.300 -0.038 0.000 0.856 117 R HN 0.086 nan 8.270 nan 0.000 0.436 118 K N -0.185 120.134 120.400 -0.134 0.000 2.228 118 K HA 0.016 4.314 4.320 -0.036 0.000 0.202 118 K C 1.899 178.414 176.600 -0.142 0.000 1.051 118 K CA 0.697 56.896 56.287 -0.147 0.000 0.960 118 K CB 0.132 32.516 32.500 -0.193 0.000 0.743 118 K HN 0.156 nan 8.250 nan 0.000 0.458 119 L N -0.059 121.068 121.223 -0.160 0.000 2.145 119 L HA 0.005 4.324 4.340 -0.036 0.000 0.201 119 L C 1.921 178.742 176.870 -0.083 0.000 1.075 119 L CA 0.546 55.315 54.840 -0.119 0.000 0.773 119 L CB -0.297 41.673 42.059 -0.148 0.000 0.936 119 L HN 0.071 nan 8.230 nan 0.000 0.451 120 L N 0.069 121.230 121.223 -0.104 0.000 2.137 120 L HA -0.201 4.118 4.340 -0.036 0.000 0.213 120 L C -0.343 176.429 176.870 -0.164 0.000 1.085 120 L CA 1.370 56.075 54.840 -0.224 0.000 0.760 120 L CB -1.729 40.153 42.059 -0.294 0.000 0.893 120 L HN 0.209 nan 8.230 nan 0.000 0.434 121 P HA -0.231 nan 4.420 nan 0.000 0.217 121 P C 1.080 178.347 177.300 -0.055 0.000 1.151 121 P CA 1.479 64.547 63.100 -0.053 0.000 0.849 121 P CB -0.056 31.616 31.700 -0.047 0.000 0.787 122 Q N -1.372 118.386 119.800 -0.071 0.000 2.403 122 Q HA 0.265 4.584 4.340 -0.036 0.000 0.203 122 Q C 0.683 176.634 176.000 -0.082 0.000 0.932 122 Q CA -0.340 55.426 55.803 -0.061 0.000 0.945 122 Q CB -0.030 28.674 28.738 -0.056 0.000 1.045 122 Q HN 0.146 nan 8.270 nan 0.000 0.511 123 A N 2.041 124.780 122.820 -0.134 0.000 2.520 123 A HA 0.372 4.670 4.320 -0.036 0.000 0.235 123 A C 0.246 177.764 177.584 -0.111 0.000 1.065 123 A CA 0.050 51.970 52.037 -0.196 0.000 0.764 123 A CB -0.076 18.632 19.000 -0.486 0.000 1.002 123 A HN 0.461 nan 8.150 nan 0.000 0.502 124 I N -2.229 118.278 120.570 -0.105 0.000 3.095 124 I HA 0.794 4.943 4.170 -0.036 0.000 0.310 124 I C 0.175 176.188 176.117 -0.173 0.000 1.196 124 I CA -1.178 60.077 61.300 -0.075 0.000 0.985 124 I CB 1.763 39.770 38.000 0.013 0.000 1.250 124 I HN 0.739 nan 8.210 nan 0.000 0.446 125 A N 1.482 124.188 122.820 -0.190 0.000 2.292 125 A HA 0.271 4.569 4.320 -0.036 0.000 0.265 125 A C -0.383 177.032 177.584 -0.282 0.000 1.133 125 A CA 0.075 51.913 52.037 -0.332 0.000 0.807 125 A CB 0.073 18.911 19.000 -0.269 0.000 1.102 125 A HN 0.837 nan 8.150 nan 0.000 0.502 126 D N -0.333 119.858 120.400 -0.347 0.000 2.428 126 D HA 0.310 4.928 4.640 -0.036 0.000 0.221 126 D C -1.609 174.800 176.300 0.181 0.000 1.123 126 D CA -2.053 51.934 54.000 -0.021 0.000 0.869 126 D CB 0.875 41.715 40.800 0.066 0.000 1.032 126 D HN 0.108 nan 8.370 nan 0.000 0.506 127 P HA -0.125 nan 4.420 nan 0.000 0.224 127 P C 1.160 178.574 177.300 0.190 0.000 1.142 127 P CA 0.756 63.968 63.100 0.187 0.000 0.778 127 P CB 0.427 32.235 31.700 0.180 0.000 0.764 128 L N -1.922 119.464 121.223 0.272 0.000 2.616 128 L HA 0.190 4.508 4.340 -0.036 0.000 0.229 128 L C 1.029 178.071 176.870 0.288 0.000 1.110 128 L CA -0.107 54.894 54.840 0.268 0.000 0.884 128 L CB -0.293 41.958 42.059 0.320 0.000 1.115 128 L HN -0.090 nan 8.230 nan 0.000 0.481 129 N N 0.784 119.654 118.700 0.282 0.000 2.439 129 N HA 0.169 4.887 4.740 -0.036 0.000 0.249 129 N C -1.926 173.701 175.510 0.194 0.000 1.003 129 N CA -1.920 51.293 53.050 0.272 0.000 0.942 129 N CB 1.754 40.434 38.487 0.321 0.000 1.115 129 N HN -0.199 nan 8.380 nan 0.000 0.505 130 P HA -0.100 nan 4.420 nan 0.000 0.215 130 P C -0.144 177.246 177.300 0.150 0.000 1.153 130 P CA 1.255 64.443 63.100 0.147 0.000 0.853 130 P CB 0.227 32.006 31.700 0.131 0.000 0.788 131 Q N 0.375 120.286 119.800 0.184 0.000 3.159 131 Q HA 0.201 4.520 4.340 -0.036 0.000 0.280 131 Q C -0.327 175.845 176.000 0.287 0.000 1.403 131 Q CA 0.563 56.500 55.803 0.223 0.000 0.957 131 Q CB -0.561 28.312 28.738 0.225 0.000 1.729 131 Q HN 0.123 nan 8.270 nan 0.000 0.551 132 S N 1.615 117.444 115.700 0.216 0.000 2.521 132 S HA 0.708 5.156 4.470 -0.036 0.000 0.295 132 S C -0.788 173.919 174.600 0.178 0.000 1.098 132 S CA -0.910 57.331 58.200 0.068 0.000 0.999 132 S CB 1.017 64.174 63.200 -0.072 0.000 1.034 132 S HN 0.547 nan 8.310 nan 0.000 0.483 133 W N 1.231 122.461 121.300 -0.116 0.000 2.975 133 W HA 0.752 5.391 4.660 -0.035 0.000 0.342 133 W C -0.993 175.452 176.519 -0.122 0.000 1.168 133 W CA -1.290 55.970 57.345 -0.141 0.000 1.141 133 W CB 0.630 29.962 29.460 -0.215 0.000 1.445 133 W HN 0.411 nan 8.180 nan 0.000 0.560 134 K N 1.721 122.115 120.400 -0.011 0.000 2.310 134 K HA 0.481 4.779 4.320 -0.036 0.000 0.290 134 K C 0.377 177.021 176.600 0.073 0.000 1.077 134 K CA 0.326 56.573 56.287 -0.065 0.000 0.922 134 K CB 0.342 32.825 32.500 -0.029 0.000 1.057 134 K HN 0.711 nan 8.250 nan 0.000 0.479 135 G N 1.603 110.378 108.800 -0.042 0.000 2.736 135 G HA2 0.314 4.252 3.960 -0.036 0.000 0.229 135 G HA3 0.314 4.252 3.960 -0.036 0.000 0.229 135 G C 0.658 175.591 174.900 0.055 0.000 1.380 135 G CA -0.311 44.911 45.100 0.203 0.000 1.040 135 G HN 0.665 nan 8.290 nan 0.000 0.568 136 G N -0.980 107.806 108.800 -0.024 0.000 2.441 136 G HA2 0.111 4.049 3.960 -0.036 0.000 0.212 136 G HA3 0.111 4.049 3.960 -0.036 0.000 0.212 136 G C 0.940 175.780 174.900 -0.100 0.000 1.164 136 G CA 0.107 45.174 45.100 -0.054 0.000 0.811 136 G HN 0.292 nan 8.290 nan 0.000 0.535 137 L N 1.282 122.382 121.223 -0.206 0.000 3.001 137 L HA 0.474 4.792 4.340 -0.036 0.000 0.234 137 L C 1.529 178.252 176.870 -0.244 0.000 1.321 137 L CA 0.612 55.343 54.840 -0.182 0.000 1.138 137 L CB 0.499 42.483 42.059 -0.125 0.000 1.503 137 L HN 0.303 nan 8.230 nan 0.000 0.487 138 G N -0.463 108.212 108.800 -0.208 0.000 2.176 138 G HA2 -0.293 3.646 3.960 -0.036 0.000 0.253 138 G HA3 -0.293 3.646 3.960 -0.036 0.000 0.253 138 G C 0.119 174.987 174.900 -0.053 0.000 0.979 138 G CA 0.434 45.482 45.100 -0.087 0.000 0.641 138 G HN 0.664 nan 8.290 nan 0.000 0.530 139 H N -1.421 117.590 119.070 -0.097 0.000 2.747 139 H HA 0.869 5.403 4.556 -0.036 0.000 0.371 139 H C 0.247 175.463 175.328 -0.187 0.000 1.161 139 H CA -0.512 55.457 56.048 -0.132 0.000 1.167 139 H CB 1.132 30.801 29.762 -0.155 0.000 1.732 139 H HN 0.695 nan 8.280 nan 0.000 0.544 140 A N 1.368 124.130 122.820 -0.097 0.000 2.425 140 A HA 0.528 4.826 4.320 -0.036 0.000 0.242 140 A C 0.289 177.677 177.584 -0.327 0.000 1.077 140 A CA 0.204 52.088 52.037 -0.255 0.000 0.781 140 A CB -0.145 18.734 19.000 -0.202 0.000 1.020 140 A HN 1.034 nan 8.150 nan 0.000 0.494 141 V N -0.966 118.529 119.914 -0.699 0.000 3.141 141 V HA 0.919 5.017 4.120 -0.036 0.000 0.312 141 V C -0.039 175.421 176.094 -1.057 0.000 1.157 141 V CA -0.537 61.270 62.300 -0.821 0.000 1.041 141 V CB 1.572 32.906 31.823 -0.814 0.000 1.071 141 V HN 0.898 nan 8.190 nan 0.000 0.441 142 S N 0.118 115.216 115.700 -1.003 0.000 2.677 142 S HA 0.938 5.386 4.470 -0.036 0.000 0.304 142 S C -0.193 174.185 174.600 -0.370 0.000 1.108 142 S CA -0.177 57.576 58.200 -0.745 0.000 0.944 142 S CB 1.705 64.408 63.200 -0.829 0.000 1.127 142 S HN 1.572 nan 8.310 nan 0.000 0.511 143 A N 1.350 124.273 122.820 0.172 0.000 2.317 143 A HA 0.793 5.091 4.320 -0.036 0.000 0.327 143 A C -1.129 176.747 177.584 0.486 0.000 1.178 143 A CA -0.523 51.751 52.037 0.394 0.000 0.817 143 A CB 0.373 19.608 19.000 0.391 0.000 1.189 143 A HN 0.743 nan 8.150 nan 0.000 0.489 144 L N 2.358 123.841 121.223 0.434 0.000 2.376 144 L HA 0.495 4.813 4.340 -0.036 0.000 0.275 144 L C -0.324 176.596 176.870 0.083 0.000 0.987 144 L CA -0.169 54.878 54.840 0.345 0.000 0.828 144 L CB 1.861 44.246 42.059 0.544 0.000 1.249 144 L HN 0.931 nan 8.230 nan 0.000 0.409 148 Q N 0.671 120.459 119.800 -0.020 0.000 2.322 148 Q HA 0.462 4.780 4.340 -0.036 0.000 0.203 148 Q C 0.451 176.445 176.000 -0.009 0.000 0.923 148 Q CA 0.074 55.890 55.803 0.021 0.000 0.949 148 Q CB 0.274 29.052 28.738 0.066 0.000 1.039 148 Q HN 0.367 nan 8.270 nan 0.000 0.496 149 A N 3.304 126.093 122.820 -0.051 0.000 2.546 149 A HA 0.154 4.452 4.320 -0.036 0.000 0.243 149 A C -1.985 175.569 177.584 -0.051 0.000 1.063 149 A CA -1.004 50.990 52.037 -0.071 0.000 0.757 149 A CB -0.235 18.694 19.000 -0.119 0.000 0.991 149 A HN 0.078 nan 8.150 nan 0.000 0.503 150 P HA 0.184 nan 4.420 nan 0.000 0.267 150 P C -0.403 176.876 177.300 -0.035 0.000 1.209 150 P CA 0.104 63.182 63.100 -0.037 0.000 0.763 150 P CB 0.210 31.882 31.700 -0.045 0.000 0.816 151 L N 2.599 123.815 121.223 -0.013 0.000 2.506 151 L HA 0.056 4.374 4.340 -0.036 0.000 0.281 151 L C 1.085 177.961 176.870 0.010 0.000 1.228 151 L CA 0.453 55.295 54.840 0.003 0.000 0.850 151 L CB -0.570 41.497 42.059 0.013 0.000 1.110 151 L HN 0.327 nan 8.230 nan 0.000 0.496 152 Q N 3.026 122.851 119.800 0.041 0.000 2.341 152 Q HA 0.353 4.672 4.340 -0.036 0.000 0.268 152 Q C -2.369 173.721 176.000 0.151 0.000 1.013 152 Q CA -2.092 53.767 55.803 0.092 0.000 0.798 152 Q CB 1.936 30.730 28.738 0.093 0.000 1.253 152 Q HN 0.341 nan 8.270 nan 0.000 0.457 153 P HA -0.052 nan 4.420 nan 0.000 0.263 153 P C 0.776 178.088 177.300 0.020 0.000 1.195 153 P CA 1.027 64.159 63.100 0.055 0.000 0.762 153 P CB 0.627 32.342 31.700 0.025 0.000 0.799 154 G N 1.839 110.607 108.800 -0.053 0.000 2.304 154 G HA2 -0.304 3.635 3.960 -0.036 0.000 0.252 154 G HA3 -0.304 3.635 3.960 -0.036 0.000 0.252 154 G C 0.869 175.589 174.900 -0.300 0.000 1.014 154 G CA 0.138 45.115 45.100 -0.205 0.000 0.619 154 G HN 0.478 nan 8.290 nan 0.000 0.525 155 W N 1.986 123.253 121.300 -0.055 0.000 2.523 155 W HA 0.239 4.880 4.660 -0.032 0.000 0.278 155 W C 2.317 178.811 176.519 -0.042 0.000 1.236 155 W CA 1.072 58.381 57.345 -0.060 0.000 1.306 155 W CB -0.097 29.320 29.460 -0.072 0.000 1.101 155 W HN 0.436 nan 8.180 nan 0.000 0.577 156 D N -0.504 119.987 120.400 0.153 0.000 2.265 156 D HA -0.165 4.453 4.640 -0.036 0.000 0.208 156 D C 0.702 177.025 176.300 0.039 0.000 0.977 156 D CA 0.989 55.039 54.000 0.083 0.000 0.871 156 D CB -0.964 39.871 40.800 0.060 0.000 0.925 156 D HN 0.115 nan 8.370 nan 0.000 0.485 157 C N -0.563 118.736 119.300 -0.003 0.000 3.517 157 C HA 0.434 4.872 4.460 -0.036 0.000 0.202 157 C C -2.852 172.095 174.990 -0.072 0.000 1.370 157 C CA -2.248 56.754 59.018 -0.028 0.000 1.308 157 C CB -0.528 27.199 27.740 -0.023 0.000 1.840 157 C HN -0.034 nan 8.230 nan 0.000 0.525 158 P HA 0.106 nan 4.420 nan 0.000 0.263 158 P C -0.375 176.878 177.300 -0.078 0.000 1.195 158 P CA 1.080 64.120 63.100 -0.100 0.000 0.762 158 P CB 0.446 32.112 31.700 -0.057 0.000 0.799 159 Q N 2.921 122.663 119.800 -0.097 0.000 2.363 159 Q HA 0.520 4.838 4.340 -0.036 0.000 0.265 159 Q C -0.679 175.279 176.000 -0.070 0.000 1.032 159 Q CA -0.895 54.849 55.803 -0.098 0.000 0.746 159 Q CB 1.192 29.835 28.738 -0.158 0.000 1.237 159 Q HN 0.529 nan 8.270 nan 0.000 0.475 160 A N 5.618 128.414 122.820 -0.040 0.000 2.587 160 A HA 0.210 4.509 4.320 -0.036 0.000 0.235 160 A C -2.138 175.458 177.584 0.020 0.000 1.044 160 A CA -0.566 51.471 52.037 -0.001 0.000 0.754 160 A CB -0.359 18.645 19.000 0.006 0.000 0.968 160 A HN 0.569 nan 8.150 nan 0.000 0.509 161 P HA 0.212 nan 4.420 nan 0.000 0.272 161 P C 0.064 177.422 177.300 0.096 0.000 1.223 161 P CA -0.189 63.004 63.100 0.154 0.000 0.784 161 P CB 0.652 32.532 31.700 0.301 0.000 0.923 162 E N 1.209 121.461 120.200 0.088 0.000 2.008 162 E HA -0.011 4.317 4.350 -0.036 0.000 0.191 162 E C 0.231 176.853 176.600 0.036 0.000 0.986 162 E CA 1.001 57.430 56.400 0.049 0.000 0.807 162 E CB -0.485 29.242 29.700 0.045 0.000 0.766 162 E HN 0.331 nan 8.360 nan 0.000 0.450 163 I N 2.563 123.147 120.570 0.023 0.000 2.359 163 I HA 0.236 4.384 4.170 -0.036 0.000 0.294 163 I C -2.201 173.946 176.117 0.050 0.000 0.987 163 I CA -2.693 58.608 61.300 0.002 0.000 1.225 163 I CB 1.093 39.065 38.000 -0.047 0.000 1.366 163 I HN -0.026 nan 8.210 nan 0.000 0.466 164 P HA 0.245 nan 4.420 nan 0.000 0.272 164 P C -0.760 176.522 177.300 -0.030 0.000 1.240 164 P CA -0.521 62.566 63.100 -0.021 0.000 0.791 164 P CB 0.598 32.262 31.700 -0.061 0.000 0.978 165 A N 1.755 124.433 122.820 -0.237 0.000 2.351 165 A HA 0.222 4.520 4.320 -0.036 0.000 0.257 165 A C 0.422 177.978 177.584 -0.046 0.000 1.087 165 A CA -0.253 51.681 52.037 -0.171 0.000 0.798 165 A CB -0.049 18.444 19.000 -0.846 0.000 1.033 165 A HN 0.394 nan 8.150 nan 0.000 0.488 166 K N 1.550 121.973 120.400 0.039 0.000 2.248 166 K HA 0.150 4.449 4.320 -0.036 0.000 0.281 166 K C -0.509 176.108 176.600 0.028 0.000 1.054 166 K CA 0.022 56.328 56.287 0.031 0.000 0.903 166 K CB 0.754 33.266 32.500 0.020 0.000 1.077 166 K HN 0.842 nan 8.250 nan 0.000 0.474 167 E N 5.773 125.950 120.200 -0.040 0.000 2.146 167 E HA 0.217 4.545 4.350 -0.036 0.000 0.282 167 E C -0.147 176.329 176.600 -0.207 0.000 0.989 167 E CA -0.424 55.814 56.400 -0.269 0.000 0.799 167 E CB 0.668 30.199 29.700 -0.283 0.000 1.088 167 E HN 0.574 nan 8.360 nan 0.000 0.397 168 I N 0.674 121.103 120.570 -0.235 0.000 3.436 168 I HA 0.547 4.695 4.170 -0.036 0.000 0.296 168 I C -0.736 175.297 176.117 -0.141 0.000 1.143 168 I CA -1.116 60.106 61.300 -0.131 0.000 1.009 168 I CB 1.732 39.695 38.000 -0.061 0.000 1.301 168 I HN 0.288 nan 8.210 nan 0.000 0.503 169 I N 2.137 122.678 120.570 -0.049 0.000 2.448 169 I HA 0.166 4.314 4.170 -0.036 0.000 0.281 169 I C -1.341 174.838 176.117 0.103 0.000 1.027 169 I CA -0.053 61.240 61.300 -0.011 0.000 1.111 169 I CB 1.162 39.145 38.000 -0.029 0.000 1.236 169 I HN 0.730 nan 8.210 nan 0.000 0.452 170 W N 7.877 129.126 121.300 -0.084 0.000 2.419 170 W HA 0.273 4.914 4.660 -0.032 0.000 0.312 170 W C 0.024 176.515 176.519 -0.047 0.000 1.323 170 W CA -0.961 56.350 57.345 -0.057 0.000 1.293 170 W CB 0.549 29.977 29.460 -0.054 0.000 1.324 170 W HN 0.421 nan 8.180 nan 0.000 0.512 171 K N 5.155 125.564 120.400 0.014 0.000 2.299 171 K HA 0.258 4.556 4.320 -0.036 0.000 0.268 171 K C -0.168 176.253 176.600 -0.299 0.000 1.075 171 K CA -0.232 55.947 56.287 -0.180 0.000 0.936 171 K CB 0.625 33.093 32.500 -0.053 0.000 1.228 171 K HN 0.316 nan 8.250 nan 0.000 0.454 172 S N 2.840 118.165 115.700 -0.624 0.000 2.474 172 S HA 0.022 4.470 4.470 -0.036 0.000 0.276 172 S C 0.951 175.427 174.600 -0.207 0.000 1.227 172 S CA -0.311 57.580 58.200 -0.515 0.000 1.050 172 S CB 0.958 63.668 63.200 -0.816 0.000 0.939 172 S HN 0.801 nan 8.310 nan 0.000 0.490 173 E N 3.926 124.082 120.200 -0.074 0.000 2.107 173 E HA -0.102 4.226 4.350 -0.036 0.000 0.191 173 E C 2.064 178.642 176.600 -0.036 0.000 0.982 173 E CA 0.570 56.948 56.400 -0.036 0.000 0.809 173 E CB 0.049 29.754 29.700 0.007 0.000 0.756 173 E HN 0.749 nan 8.360 nan 0.000 0.459 174 R N 0.216 120.701 120.500 -0.025 0.000 2.075 174 R HA -0.055 4.263 4.340 -0.036 0.000 0.232 174 R C 2.239 178.516 176.300 -0.038 0.000 1.126 174 R CA 1.053 57.147 56.100 -0.011 0.000 0.963 174 R CB -0.008 30.307 30.300 0.025 0.000 0.858 174 R HN 0.172 nan 8.270 nan 0.000 0.435 175 L N 0.060 121.226 121.223 -0.095 0.000 2.509 175 L HA 0.142 4.460 4.340 -0.036 0.000 0.222 175 L C 1.049 177.866 176.870 -0.089 0.000 1.123 175 L CA 0.223 55.006 54.840 -0.094 0.000 0.856 175 L CB -0.025 41.946 42.059 -0.146 0.000 0.985 175 L HN 0.217 nan 8.230 nan 0.000 0.456 176 K N 1.738 122.074 120.400 -0.106 0.000 3.192 176 K HA -0.183 4.115 4.320 -0.036 0.000 0.278 176 K C -0.628 175.923 176.600 -0.082 0.000 1.164 176 K CA 0.745 56.985 56.287 -0.078 0.000 0.816 176 K CB -1.191 31.284 32.500 -0.042 0.000 1.256 176 K HN 0.823 nan 8.250 nan 0.000 0.497 177 N N -1.595 117.016 118.700 -0.148 0.000 2.647 177 N HA 0.465 5.183 4.740 -0.036 0.000 0.266 177 N C -1.202 174.160 175.510 -0.246 0.000 1.373 177 N CA -1.086 51.872 53.050 -0.152 0.000 0.807 177 N CB 1.977 40.396 38.487 -0.112 0.000 1.513 177 N HN -0.045 nan 8.380 nan 0.000 0.505 178 S N -0.532 115.049 115.700 -0.198 0.000 2.607 178 S HA 0.692 5.140 4.470 -0.036 0.000 0.303 178 S C -0.695 173.807 174.600 -0.163 0.000 1.086 178 S CA -0.948 57.132 58.200 -0.199 0.000 0.995 178 S CB 1.535 64.664 63.200 -0.117 0.000 1.084 178 S HN 0.678 nan 8.310 nan 0.000 0.507 179 R N 0.453 120.891 120.500 -0.103 0.000 2.663 179 R HA 0.476 4.794 4.340 -0.036 0.000 0.267 179 R C -1.563 174.732 176.300 -0.009 0.000 1.038 179 R CA -1.019 55.060 56.100 -0.034 0.000 0.886 179 R CB 1.140 31.453 30.300 0.021 0.000 1.249 179 R HN 0.515 nan 8.270 nan 0.000 0.463 180 R N 0.866 121.312 120.500 -0.090 0.000 2.643 180 R HA 0.406 4.725 4.340 -0.036 0.000 0.270 180 R C -0.333 175.779 176.300 -0.314 0.000 1.061 180 R CA -0.284 55.613 56.100 -0.339 0.000 1.107 180 R CB 0.985 30.897 30.300 -0.645 0.000 0.999 180 R HN 0.347 nan 8.270 nan 0.000 0.460 181 V N 2.345 122.029 119.914 -0.383 0.000 2.823 181 V HA 0.416 4.515 4.120 -0.036 0.000 0.312 181 V C -0.673 175.250 176.094 -0.286 0.000 1.072 181 V CA -0.948 61.258 62.300 -0.158 0.000 0.937 181 V CB 2.168 34.002 31.823 0.018 0.000 1.013 181 V HN 0.671 nan 8.190 nan 0.000 0.430 182 W N 3.858 125.276 121.300 0.197 0.000 2.587 182 W HA 0.675 5.310 4.660 -0.041 0.000 0.324 182 W C -0.916 175.739 176.519 0.225 0.000 1.040 182 W CA -0.578 56.903 57.345 0.227 0.000 1.222 182 W CB 1.923 31.624 29.460 0.402 0.000 1.381 182 W HN 0.392 nan 8.180 nan 0.000 0.483 183 I N 3.868 124.636 120.570 0.330 0.000 2.382 183 I HA 0.330 4.478 4.170 -0.036 0.000 0.286 183 I C -0.979 175.306 176.117 0.280 0.000 1.002 183 I CA -0.697 60.761 61.300 0.263 0.000 1.135 183 I CB 1.201 39.275 38.000 0.124 0.000 1.288 183 I HN 0.175 nan 8.210 nan 0.000 0.448 184 F N 5.824 125.895 119.950 0.202 0.000 2.477 184 F HA 0.510 5.029 4.527 -0.013 0.000 0.335 184 F C 0.158 176.099 175.800 0.235 0.000 1.130 184 F CA -0.407 57.685 58.000 0.154 0.000 0.948 184 F CB 1.676 40.831 39.000 0.259 0.000 1.154 184 F HN 0.456 nan 8.300 nan 0.000 0.439 185 T N 1.939 116.208 114.554 -0.475 0.000 2.779 185 T HA 0.524 4.852 4.350 -0.036 0.000 0.280 185 T C -0.284 174.097 174.700 -0.532 0.000 0.987 185 T CA -0.520 61.374 62.100 -0.344 0.000 0.966 185 T CB 1.194 69.944 68.868 -0.197 0.000 0.933 185 T HN 0.699 nan 8.240 nan 0.000 0.442 186 T N 0.151 114.568 114.554 -0.229 0.000 2.758 186 T HA 0.717 5.045 4.350 -0.036 0.000 0.285 186 T C 0.515 175.160 174.700 -0.092 0.000 0.981 186 T CA -0.147 61.894 62.100 -0.099 0.000 0.965 186 T CB 0.466 69.434 68.868 0.167 0.000 0.927 186 T HN 1.956 nan 8.240 nan 0.000 0.448 187 G N 2.158 110.907 108.800 -0.084 0.000 3.067 187 G HA2 -0.018 3.920 3.960 -0.036 0.000 0.686 187 G HA3 -0.018 3.920 3.960 -0.036 0.000 0.686 187 G C -0.366 174.478 174.900 -0.093 0.000 1.119 187 G CA -0.432 44.615 45.100 -0.088 0.000 0.790 187 G HN 0.726 nan 8.290 nan 0.000 0.605 188 D N -0.111 120.243 120.400 -0.078 0.000 2.440 188 D HA 0.446 5.064 4.640 -0.036 0.000 0.216 188 D C 0.825 177.087 176.300 -0.063 0.000 1.150 188 D CA 0.952 54.910 54.000 -0.069 0.000 0.832 188 D CB 0.912 41.679 40.800 -0.055 0.000 0.992 188 D HN 1.325 nan 8.370 nan 0.000 0.502 194 R N 3.065 123.503 120.500 -0.103 0.000 2.523 194 R HA 0.033 4.351 4.340 -0.036 0.000 0.281 194 R C -2.110 174.120 176.300 -0.117 0.000 0.969 194 R CA -0.308 55.703 56.100 -0.149 0.000 1.093 194 R CB 0.268 30.501 30.300 -0.112 0.000 0.917 194 R HN 0.149 nan 8.270 nan 0.000 0.408 195 P HA -0.053 nan 4.420 nan 0.000 0.269 195 P C -1.003 176.291 177.300 -0.010 0.000 1.209 195 P CA -0.181 62.843 63.100 -0.127 0.000 0.776 195 P CB 0.707 32.119 31.700 -0.479 0.000 0.876 196 L N 2.383 123.687 121.223 0.135 0.000 2.325 196 L HA 0.693 5.011 4.340 -0.036 0.000 0.279 196 L C -0.739 176.235 176.870 0.174 0.000 1.054 196 L CA -0.563 54.273 54.840 -0.006 0.000 0.804 196 L CB 1.124 43.003 42.059 -0.299 0.000 1.200 196 L HN 0.477 nan 8.230 nan 0.000 0.436 197 A N 4.941 127.833 122.820 0.120 0.000 2.357 197 A HA 0.673 4.971 4.320 -0.036 0.000 0.295 197 A C -1.290 176.406 177.584 0.187 0.000 1.121 197 A CA -0.554 51.596 52.037 0.189 0.000 0.742 197 A CB 1.173 20.360 19.000 0.311 0.000 1.181 197 A HN 0.500 nan 8.150 nan 0.000 0.454 198 V N 3.534 123.537 119.914 0.148 0.000 2.406 198 V HA 0.322 4.420 4.120 -0.036 0.000 0.272 198 V C -0.501 175.688 176.094 0.158 0.000 1.043 198 V CA -0.179 62.222 62.300 0.168 0.000 0.915 198 V CB 0.827 32.768 31.823 0.198 0.000 0.988 198 V HN 0.697 nan 8.190 nan 0.000 0.466 199 L N 6.473 127.806 121.223 0.183 0.000 2.280 199 L HA 0.488 4.806 4.340 -0.036 0.000 0.287 199 L C 0.042 177.045 176.870 0.221 0.000 1.023 199 L CA 0.267 55.194 54.840 0.145 0.000 0.819 199 L CB 1.316 43.428 42.059 0.088 0.000 1.212 199 L HN 0.459 nan 8.230 nan 0.000 0.420 200 L N 2.854 124.197 121.223 0.200 0.000 2.476 200 L HA 0.240 4.558 4.340 -0.036 0.000 0.255 200 L C 0.365 177.369 176.870 0.223 0.000 1.218 200 L CA -0.520 54.438 54.840 0.197 0.000 0.819 200 L CB 0.190 42.329 42.059 0.132 0.000 1.119 200 L HN 0.654 nan 8.230 nan 0.000 0.485 201 D N 1.068 121.563 120.400 0.159 0.000 2.723 201 D HA -0.155 4.463 4.640 -0.036 0.000 0.236 201 D C 1.169 177.580 176.300 0.185 0.000 1.138 201 D CA 0.864 54.938 54.000 0.124 0.000 0.676 201 D CB -0.825 39.989 40.800 0.023 0.000 1.069 201 D HN 0.977 nan 8.370 nan 0.000 0.430 202 G N 0.651 109.601 108.800 0.250 0.000 2.440 202 G HA2 -0.281 3.657 3.960 -0.036 0.000 0.218 202 G HA3 -0.281 3.657 3.960 -0.036 0.000 0.218 202 G C 1.457 176.316 174.900 -0.068 0.000 1.154 202 G CA 1.344 46.597 45.100 0.254 0.000 0.767 202 G HN 0.428 nan 8.290 nan 0.000 0.552 203 E N 0.064 120.273 120.200 0.015 0.000 2.097 203 E HA -0.189 4.139 4.350 -0.036 0.000 0.196 203 E C 1.971 178.384 176.600 -0.311 0.000 1.000 203 E CA 1.179 57.465 56.400 -0.189 0.000 0.804 203 E CB -0.540 29.223 29.700 0.105 0.000 0.740 203 E HN 0.502 nan 8.360 nan 0.000 0.454 204 F N -0.210 119.529 119.950 -0.351 0.000 2.084 204 F HA -0.091 4.414 4.527 -0.037 0.000 0.296 204 F C 1.408 176.805 175.800 -0.671 0.000 1.111 204 F CA 1.349 59.031 58.000 -0.530 0.000 1.224 204 F CB -0.208 38.383 39.000 -0.683 0.000 0.991 204 F HN -0.014 nan 8.300 nan 0.000 0.471 205 W N -0.232 121.017 121.300 -0.084 0.000 2.961 205 W HA 0.129 4.767 4.660 -0.037 0.000 0.240 205 W C 1.935 178.032 176.519 -0.704 0.000 1.305 205 W CA 0.514 57.676 57.345 -0.305 0.000 1.465 205 W CB -0.479 28.851 29.460 -0.217 0.000 1.135 205 W HN 0.101 nan 8.180 nan 0.000 0.688 206 A N -0.732 121.715 122.820 -0.622 0.000 1.984 206 A HA 0.054 4.352 4.320 -0.036 0.000 0.203 206 A C 1.817 179.052 177.584 -0.582 0.000 1.292 206 A CA 0.544 52.064 52.037 -0.862 0.000 0.782 206 A CB 0.148 18.309 19.000 -1.399 0.000 0.924 206 A HN 0.257 nan 8.150 nan 0.000 0.475 207 Q N -0.971 118.517 119.800 -0.520 0.000 2.391 207 Q HA 0.285 4.603 4.340 -0.036 0.000 0.243 207 Q C 0.683 176.471 176.000 -0.354 0.000 0.874 207 Q CA 0.018 55.639 55.803 -0.303 0.000 0.950 207 Q CB 0.646 29.295 28.738 -0.149 0.000 1.103 207 Q HN 0.449 nan 8.270 nan 0.000 0.544 211 V N 1.498 120.812 119.914 -1.000 0.000 3.541 211 V HA 0.010 4.108 4.120 -0.036 0.000 0.267 211 V C 1.025 176.662 176.094 -0.762 0.000 1.213 211 V CA 0.539 62.414 62.300 -0.709 0.000 1.149 211 V CB -0.360 31.135 31.823 -0.546 0.000 0.822 211 V HN 0.650 nan 8.190 nan 0.000 0.462 212 W N 1.138 122.116 121.300 -0.537 0.000 2.332 212 W HA -0.080 4.564 4.660 -0.026 0.000 0.321 212 W C -0.053 176.201 176.519 -0.442 0.000 1.219 212 W CA 1.308 58.188 57.345 -0.775 0.000 1.277 212 W CB -2.270 26.712 29.460 -0.796 0.000 1.161 212 W HN 0.264 nan 8.180 nan 0.000 0.476 213 P HA -0.139 nan 4.420 nan 0.000 0.222 213 P C 1.508 178.670 177.300 -0.229 0.000 1.147 213 P CA 1.413 64.446 63.100 -0.112 0.000 0.790 213 P CB -0.153 31.479 31.700 -0.114 0.000 0.780 214 V N -0.758 118.894 119.914 -0.437 0.000 2.407 214 V HA -0.154 3.944 4.120 -0.036 0.000 0.245 214 V C 2.363 178.262 176.094 -0.325 0.000 1.041 214 V CA 1.398 63.351 62.300 -0.579 0.000 1.040 214 V CB -1.185 29.940 31.823 -1.163 0.000 0.671 214 V HN 0.055 nan 8.190 nan 0.000 0.455 215 L N -0.124 120.953 121.223 -0.245 0.000 2.141 215 L HA -0.131 4.187 4.340 -0.036 0.000 0.209 215 L C 2.593 179.556 176.870 0.154 0.000 1.094 215 L CA 1.621 56.437 54.840 -0.042 0.000 0.763 215 L CB -0.976 41.058 42.059 -0.042 0.000 0.908 215 L HN 0.351 nan 8.230 nan 0.000 0.437 216 T N -1.266 113.384 114.554 0.160 0.000 2.701 216 T HA -0.200 4.128 4.350 -0.036 0.000 0.263 216 T C 2.150 176.908 174.700 0.097 0.000 1.040 216 T CA 1.679 63.889 62.100 0.185 0.000 1.147 216 T CB -0.201 68.756 68.868 0.150 0.000 0.865 216 T HN 0.290 nan 8.240 nan 0.000 0.426 217 S N 0.932 116.627 115.700 -0.010 0.000 2.365 217 S HA -0.077 4.371 4.470 -0.036 0.000 0.225 217 S C 2.007 176.638 174.600 0.052 0.000 1.039 217 S CA 1.169 59.357 58.200 -0.020 0.000 1.033 217 S CB -0.565 62.584 63.200 -0.085 0.000 0.887 217 S HN 0.429 nan 8.310 nan 0.000 0.447 218 L N 0.962 122.202 121.223 0.028 0.000 2.291 218 L HA -0.013 4.305 4.340 -0.036 0.000 0.214 218 L C 2.895 179.829 176.870 0.107 0.000 1.120 218 L CA 1.471 56.338 54.840 0.046 0.000 0.799 218 L CB -0.937 41.132 42.059 0.016 0.000 0.925 218 L HN 0.577 nan 8.230 nan 0.000 0.446 219 T N -4.481 110.167 114.554 0.157 0.000 2.851 219 T HA -0.187 4.141 4.350 -0.036 0.000 0.262 219 T C 1.781 176.565 174.700 0.141 0.000 1.043 219 T CA 0.881 63.081 62.100 0.168 0.000 1.140 219 T CB -0.348 68.629 68.868 0.183 0.000 0.872 219 T HN 0.235 nan 8.240 nan 0.000 0.446 220 H N 1.848 120.949 119.070 0.052 0.000 2.319 220 H HA 0.102 4.634 4.556 -0.040 0.000 0.297 220 H C 2.130 177.472 175.328 0.022 0.000 1.097 220 H CA 1.758 57.826 56.048 0.034 0.000 1.285 220 H CB -0.026 29.752 29.762 0.027 0.000 1.368 220 H HN 0.331 nan 8.280 nan 0.000 0.495 221 R N 0.693 121.275 120.500 0.136 0.000 2.335 221 R HA 0.040 4.358 4.340 -0.036 0.000 0.223 221 R C -0.192 176.114 176.300 0.009 0.000 0.940 221 R CA 0.229 56.363 56.100 0.056 0.000 1.086 221 R CB 0.190 30.518 30.300 0.046 0.000 1.073 221 R HN 0.461 nan 8.270 nan 0.000 0.504 222 Q N 0.813 120.630 119.800 0.028 0.000 2.459 222 Q HA -0.227 4.091 4.340 -0.036 0.000 0.322 222 Q C 0.351 176.262 176.000 -0.149 0.000 1.427 222 Q CA 0.852 56.666 55.803 0.019 0.000 0.861 222 Q CB -0.974 27.776 28.738 0.020 0.000 1.137 222 Q HN 0.611 nan 8.270 nan 0.000 0.394 223 Q N -1.170 118.574 119.800 -0.092 0.000 2.245 223 Q HA 0.270 4.588 4.340 -0.036 0.000 0.250 223 Q C 0.312 176.340 176.000 0.046 0.000 0.830 223 Q CA -0.045 55.634 55.803 -0.207 0.000 0.950 223 Q CB 0.877 29.548 28.738 -0.112 0.000 1.124 223 Q HN 0.386 nan 8.270 nan 0.000 0.502 224 L N 4.156 125.502 121.223 0.204 0.000 2.296 224 L HA 0.505 4.823 4.340 -0.036 0.000 0.286 224 L C -2.372 174.691 176.870 0.321 0.000 1.023 224 L CA -2.223 52.827 54.840 0.351 0.000 0.812 224 L CB 1.556 43.815 42.059 0.334 0.000 1.223 224 L HN -0.106 nan 8.230 nan 0.000 0.421 225 P HA 0.202 nan 4.420 nan 0.000 0.274 225 P C -2.627 174.553 177.300 -0.200 0.000 1.237 225 P CA -1.836 61.188 63.100 -0.127 0.000 0.793 225 P CB -0.252 31.133 31.700 -0.524 0.000 0.977 226 P HA 0.113 nan 4.420 nan 0.000 0.260 226 P C -0.505 176.616 177.300 -0.299 0.000 1.185 226 P CA 1.045 64.048 63.100 -0.162 0.000 0.763 226 P CB -0.147 31.463 31.700 -0.149 0.000 0.776 227 A N 3.276 125.916 122.820 -0.300 0.000 2.483 227 A HA 0.782 5.080 4.320 -0.036 0.000 0.286 227 A C -1.118 176.213 177.584 -0.422 0.000 1.207 227 A CA -0.569 51.166 52.037 -0.504 0.000 0.764 227 A CB 1.264 19.757 19.000 -0.845 0.000 1.341 227 A HN 0.267 nan 8.150 nan 0.000 0.428 228 V N 0.084 119.731 119.914 -0.444 0.000 2.604 228 V HA 0.523 4.621 4.120 -0.036 0.000 0.305 228 V C -1.575 174.331 176.094 -0.313 0.000 1.043 228 V CA -0.288 61.851 62.300 -0.268 0.000 0.888 228 V CB 1.168 32.933 31.823 -0.096 0.000 0.995 228 V HN 0.724 nan 8.190 nan 0.000 0.429 229 Y N 2.479 122.894 120.300 0.192 0.000 2.391 229 Y HA 0.707 5.235 4.550 -0.037 0.000 0.341 229 Y C -0.237 175.806 175.900 0.238 0.000 0.965 229 Y CA -1.043 57.210 58.100 0.255 0.000 1.067 229 Y CB 2.357 41.055 38.460 0.397 0.000 1.199 229 Y HN 0.351 nan 8.280 nan 0.000 0.450 230 V N 5.231 125.340 119.914 0.324 0.000 2.407 230 V HA 0.356 4.454 4.120 -0.036 0.000 0.291 230 V C -0.873 175.413 176.094 0.320 0.000 1.018 230 V CA -0.730 61.730 62.300 0.266 0.000 0.842 230 V CB 1.327 33.202 31.823 0.087 0.000 0.996 230 V HN 0.482 nan 8.190 nan 0.000 0.426 231 L N 6.432 127.921 121.223 0.444 0.000 2.265 231 L HA 0.552 4.870 4.340 -0.036 0.000 0.289 231 L C -0.183 177.020 176.870 0.555 0.000 1.033 231 L CA 0.166 55.290 54.840 0.473 0.000 0.814 231 L CB 1.167 43.524 42.059 0.495 0.000 1.203 231 L HN 0.476 nan 8.230 nan 0.000 0.423 232 I N 2.344 123.166 120.570 0.419 0.000 2.312 232 I HA 0.208 4.356 4.170 -0.036 0.000 0.290 232 I C 0.194 176.565 176.117 0.423 0.000 1.008 232 I CA -0.840 60.702 61.300 0.405 0.000 1.226 232 I CB 1.153 39.358 38.000 0.342 0.000 1.371 232 I HN 0.476 nan 8.210 nan 0.000 0.468 233 D N 4.919 125.601 120.400 0.471 0.000 2.533 233 D HA -0.007 4.611 4.640 -0.036 0.000 0.236 233 D C 0.879 177.315 176.300 0.225 0.000 1.137 233 D CA 0.354 54.583 54.000 0.382 0.000 0.867 233 D CB 1.386 42.362 40.800 0.294 0.000 1.170 233 D HN 0.692 nan 8.370 nan 0.000 0.474 234 A N 4.014 126.926 122.820 0.153 0.000 2.169 234 A HA 0.139 4.437 4.320 -0.036 0.000 0.212 234 A C 1.852 179.448 177.584 0.019 0.000 1.153 234 A CA 0.644 52.717 52.037 0.059 0.000 0.756 234 A CB -0.323 18.697 19.000 0.033 0.000 0.813 234 A HN 0.817 nan 8.150 nan 0.000 0.471 235 I N -2.032 118.550 120.570 0.020 0.000 4.837 235 I HA -0.409 3.739 4.170 -0.036 0.000 0.039 235 I C 0.339 176.434 176.117 -0.037 0.000 0.633 235 I CA 1.989 63.242 61.300 -0.079 0.000 0.481 235 I CB -1.175 36.629 38.000 -0.326 0.000 0.491 235 I HN 0.666 nan 8.210 nan 0.000 0.152 236 D N -1.719 118.684 120.400 0.005 0.000 2.825 236 D HA 0.359 4.978 4.640 -0.036 0.000 0.327 236 D C 0.179 176.543 176.300 0.108 0.000 1.277 236 D CA 0.189 54.236 54.000 0.080 0.000 0.950 236 D CB 0.707 41.577 40.800 0.116 0.000 1.438 236 D HN 0.071 nan 8.370 nan 0.000 0.526 237 T N -0.878 113.729 114.554 0.087 0.000 2.857 237 T HA -0.023 4.305 4.350 -0.036 0.000 0.266 237 T C 1.608 176.323 174.700 0.024 0.000 1.048 237 T CA 2.000 64.137 62.100 0.061 0.000 1.139 237 T CB -0.524 68.372 68.868 0.048 0.000 0.874 237 T HN 0.551 nan 8.240 nan 0.000 0.455 238 T N 1.213 115.776 114.554 0.015 0.000 2.674 238 T HA -0.127 4.201 4.350 -0.036 0.000 0.265 238 T C 1.734 176.330 174.700 -0.174 0.000 1.039 238 T CA 1.559 63.587 62.100 -0.120 0.000 1.150 238 T CB -0.485 68.330 68.868 -0.088 0.000 0.864 238 T HN 0.514 nan 8.240 nan 0.000 0.427 239 H N 0.713 119.764 119.070 -0.033 0.000 2.290 239 H HA 0.049 4.583 4.556 -0.036 0.000 0.298 239 H C 2.504 177.758 175.328 -0.123 0.000 1.087 239 H CA 1.548 57.578 56.048 -0.030 0.000 1.291 239 H CB -0.157 29.589 29.762 -0.028 0.000 1.369 239 H HN 0.131 nan 8.280 nan 0.000 0.492 240 R N 0.728 121.239 120.500 0.018 0.000 2.127 240 R HA -0.107 4.211 4.340 -0.036 0.000 0.238 240 R C 2.085 178.263 176.300 -0.204 0.000 1.134 240 R CA 1.173 57.218 56.100 -0.092 0.000 0.975 240 R CB -0.235 30.067 30.300 0.004 0.000 0.865 240 R HN 0.387 nan 8.270 nan 0.000 0.447 241 A N -0.842 121.864 122.820 -0.191 0.000 2.119 241 A HA -0.084 4.214 4.320 -0.036 0.000 0.216 241 A C 1.291 178.605 177.584 -0.450 0.000 1.152 241 A CA 0.989 52.830 52.037 -0.328 0.000 0.708 241 A CB -0.301 18.584 19.000 -0.191 0.000 0.805 241 A HN 0.523 nan 8.150 nan 0.000 0.460 242 H N -1.734 117.191 119.070 -0.242 0.000 2.604 242 H HA 0.163 4.697 4.556 -0.037 0.000 0.273 242 H C 1.784 176.926 175.328 -0.310 0.000 0.971 242 H CA 0.817 56.728 56.048 -0.229 0.000 1.249 242 H CB 0.491 30.154 29.762 -0.166 0.000 1.449 242 H HN 0.550 nan 8.280 nan 0.000 0.512 243 E N 0.275 120.310 120.200 -0.275 0.000 2.206 243 E HA 0.036 4.364 4.350 -0.036 0.000 0.195 243 E C 1.762 177.916 176.600 -0.743 0.000 0.935 243 E CA 0.028 56.163 56.400 -0.442 0.000 0.875 243 E CB 0.500 29.926 29.700 -0.458 0.000 0.841 243 E HN 0.254 nan 8.360 nan 0.000 0.477 244 L N 1.441 122.216 121.223 -0.746 0.000 1.976 244 L HA -0.043 4.275 4.340 -0.036 0.000 0.209 244 L C -1.310 175.144 176.870 -0.692 0.000 1.071 244 L CA 0.756 55.181 54.840 -0.691 0.000 0.746 244 L CB -1.358 40.409 42.059 -0.486 0.000 0.890 244 L HN -0.023 nan 8.230 nan 0.000 0.432 245 P HA 0.064 nan 4.420 nan 0.000 0.269 245 P C -0.189 176.360 177.300 -1.252 0.000 1.263 245 P CA -0.113 62.108 63.100 -1.465 0.000 0.813 245 P CB 0.055 30.314 31.700 -2.401 0.000 0.868 246 C N 2.021 120.708 119.300 -1.022 0.000 3.592 246 C HA -0.175 4.264 4.460 -0.036 0.000 0.281 246 C C 0.795 175.304 174.990 -0.802 0.000 1.400 246 C CA 0.127 58.440 59.018 -1.176 0.000 2.104 246 C CB -2.772 24.543 27.740 -0.707 0.000 1.369 246 C HN 0.638 nan 8.230 nan 0.000 0.597 247 N N 0.102 118.494 118.700 -0.514 0.000 2.476 247 N HA 0.570 5.288 4.740 -0.036 0.000 0.257 247 N C 0.590 176.250 175.510 0.251 0.000 0.970 247 N CA 0.300 53.281 53.050 -0.116 0.000 0.938 247 N CB 1.528 39.931 38.487 -0.139 0.000 1.144 247 N HN 0.420 nan 8.380 nan 0.000 0.500 248 A N 3.551 126.594 122.820 0.372 0.000 1.877 248 A HA -0.132 4.167 4.320 -0.036 0.000 0.216 248 A C 1.484 179.309 177.584 0.402 0.000 1.186 248 A CA 1.361 53.760 52.037 0.603 0.000 0.620 248 A CB -0.251 19.052 19.000 0.505 0.000 0.822 248 A HN 0.731 nan 8.150 nan 0.000 0.443 249 D N -0.904 119.646 120.400 0.251 0.000 2.133 249 D HA -0.193 4.425 4.640 -0.036 0.000 0.195 249 D C 1.643 178.025 176.300 0.136 0.000 0.997 249 D CA 1.500 55.600 54.000 0.167 0.000 0.840 249 D CB -0.472 40.395 40.800 0.111 0.000 0.947 249 D HN 0.547 nan 8.370 nan 0.000 0.452 250 F N 0.024 119.952 119.950 -0.037 0.000 2.069 250 F HA -0.223 4.283 4.527 -0.036 0.000 0.298 250 F C 2.131 177.813 175.800 -0.197 0.000 1.113 250 F CA 1.631 59.520 58.000 -0.184 0.000 1.214 250 F CB -0.385 38.373 39.000 -0.403 0.000 0.978 250 F HN -0.042 nan 8.300 nan 0.000 0.474 251 W N 0.331 121.586 121.300 -0.075 0.000 2.436 251 W HA -0.035 4.602 4.660 -0.039 0.000 0.284 251 W C 2.186 178.435 176.519 -0.450 0.000 1.225 251 W CA 0.463 57.580 57.345 -0.379 0.000 1.271 251 W CB -0.321 28.831 29.460 -0.513 0.000 1.114 251 W HN 0.033 nan 8.180 nan 0.000 0.559 252 L N -0.111 121.067 121.223 -0.075 0.000 2.027 252 L HA -0.186 4.133 4.340 -0.036 0.000 0.206 252 L C 2.720 179.591 176.870 0.002 0.000 1.074 252 L CA 1.270 56.088 54.840 -0.036 0.000 0.745 252 L CB -1.270 40.851 42.059 0.103 0.000 0.898 252 L HN -0.019 nan 8.230 nan 0.000 0.433 253 A N -0.068 122.770 122.820 0.029 0.000 1.873 253 A HA -0.209 4.089 4.320 -0.036 0.000 0.218 253 A C 2.350 180.023 177.584 0.149 0.000 1.193 253 A CA 2.159 54.280 52.037 0.140 0.000 0.629 253 A CB -1.043 18.052 19.000 0.158 0.000 0.826 253 A HN 0.178 nan 8.150 nan 0.000 0.447 254 V N 0.130 120.000 119.914 -0.073 0.000 2.220 254 V HA -0.401 3.698 4.120 -0.036 0.000 0.250 254 V C 2.720 178.734 176.094 -0.134 0.000 1.056 254 V CA 2.562 64.696 62.300 -0.277 0.000 1.016 254 V CB -1.026 30.611 31.823 -0.309 0.000 0.639 254 V HN 0.697 nan 8.190 nan 0.000 0.446 255 Q N -0.922 118.858 119.800 -0.035 0.000 2.170 255 Q HA -0.260 4.058 4.340 -0.036 0.000 0.203 255 Q C 2.258 178.242 176.000 -0.027 0.000 0.976 255 Q CA 1.723 57.507 55.803 -0.033 0.000 0.858 255 Q CB -0.145 28.536 28.738 -0.095 0.000 0.907 255 Q HN 0.734 nan 8.270 nan 0.000 0.433 256 Q N 0.012 119.809 119.800 -0.005 0.000 2.134 256 Q HA -0.059 4.259 4.340 -0.036 0.000 0.195 256 Q C 1.581 177.598 176.000 0.028 0.000 0.958 256 Q CA 0.892 56.709 55.803 0.023 0.000 0.840 256 Q CB 0.340 29.109 28.738 0.051 0.000 0.918 256 Q HN 0.378 nan 8.270 nan 0.000 0.467 257 E N 0.047 120.278 120.200 0.051 0.000 2.162 257 E HA -0.040 4.288 4.350 -0.036 0.000 0.193 257 E C 1.653 178.176 176.600 -0.129 0.000 0.953 257 E CA 0.223 56.676 56.400 0.088 0.000 0.849 257 E CB 0.213 30.146 29.700 0.388 0.000 0.810 257 E HN 0.053 nan 8.360 nan 0.000 0.470 258 L N 1.142 122.118 121.223 -0.411 0.000 2.071 258 L HA 0.014 4.332 4.340 -0.036 0.000 0.201 258 L C 2.067 178.757 176.870 -0.300 0.000 1.076 258 L CA 1.289 55.707 54.840 -0.703 0.000 0.755 258 L CB -0.387 40.911 42.059 -1.269 0.000 0.915 258 L HN 0.097 nan 8.230 nan 0.000 0.445 259 L N -0.123 121.003 121.223 -0.162 0.000 2.013 259 L HA -0.207 4.111 4.340 -0.036 0.000 0.212 259 L C -0.127 176.831 176.870 0.146 0.000 1.073 259 L CA 1.697 56.566 54.840 0.049 0.000 0.753 259 L CB -2.149 39.988 42.059 0.131 0.000 0.890 259 L HN 0.268 nan 8.230 nan 0.000 0.432 260 P HA -0.203 nan 4.420 nan 0.000 0.215 260 P C 1.796 179.104 177.300 0.013 0.000 1.157 260 P CA 1.147 64.258 63.100 0.019 0.000 0.868 260 P CB -0.044 31.654 31.700 -0.004 0.000 0.788 261 L N -0.557 120.652 121.223 -0.022 0.000 2.079 261 L HA -0.136 4.182 4.340 -0.036 0.000 0.210 261 L C 2.079 178.949 176.870 -0.000 0.000 1.081 261 L CA 1.911 56.736 54.840 -0.025 0.000 0.752 261 L CB -1.202 40.816 42.059 -0.067 0.000 0.896 261 L HN -0.192 nan 8.230 nan 0.000 0.433 262 V N -0.369 119.556 119.914 0.018 0.000 2.358 262 V HA -0.269 3.829 4.120 -0.036 0.000 0.246 262 V C 2.644 178.855 176.094 0.196 0.000 1.047 262 V CA 1.914 64.264 62.300 0.084 0.000 1.035 262 V CB -0.636 31.218 31.823 0.051 0.000 0.658 262 V HN 0.465 nan 8.190 nan 0.000 0.452 263 K N -0.308 120.248 120.400 0.259 0.000 2.089 263 K HA -0.207 4.091 4.320 -0.036 0.000 0.210 263 K C 2.054 178.661 176.600 0.012 0.000 1.048 263 K CA 1.680 58.018 56.287 0.085 0.000 0.926 263 K CB -0.407 32.020 32.500 -0.121 0.000 0.714 263 K HN 0.330 nan 8.250 nan 0.000 0.448 264 V N 1.059 120.980 119.914 0.011 0.000 2.295 264 V HA -0.257 3.841 4.120 -0.036 0.000 0.246 264 V C 2.104 178.201 176.094 0.005 0.000 1.049 264 V CA 1.507 63.805 62.300 -0.004 0.000 1.024 264 V CB -0.301 31.519 31.823 -0.005 0.000 0.648 264 V HN 0.240 nan 8.190 nan 0.000 0.447 265 I N -0.275 120.309 120.570 0.023 0.000 2.233 265 I HA 0.091 4.239 4.170 -0.036 0.000 0.243 265 I C 1.063 177.195 176.117 0.025 0.000 1.093 265 I CA 0.911 62.222 61.300 0.019 0.000 1.380 265 I CB -0.495 37.518 38.000 0.021 0.000 1.067 265 I HN 0.287 nan 8.210 nan 0.000 0.413 266 A N 0.744 123.602 122.820 0.064 0.000 2.530 266 A HA 0.631 4.929 4.320 -0.036 0.000 0.279 266 A C -2.662 175.022 177.584 0.167 0.000 1.109 266 A CA -1.046 51.035 52.037 0.073 0.000 0.763 266 A CB 0.373 19.409 19.000 0.059 0.000 1.257 266 A HN -0.110 nan 8.150 nan 0.000 0.424 267 P HA 0.489 nan 4.420 nan 0.000 0.268 267 P C -0.752 176.592 177.300 0.074 0.000 1.204 267 P CA 0.347 63.437 63.100 -0.016 0.000 0.768 267 P CB 0.115 31.766 31.700 -0.080 0.000 0.842 268 F N -0.718 119.191 119.950 -0.068 0.000 2.629 268 F HA 0.683 5.183 4.527 -0.045 0.000 0.316 268 F C 0.149 175.907 175.800 -0.070 0.000 1.081 268 F CA -1.630 56.324 58.000 -0.076 0.000 0.954 268 F CB 0.533 39.498 39.000 -0.060 0.000 1.337 268 F HN 0.135 nan 8.300 nan 0.000 0.474 269 S N -0.174 115.570 115.700 0.073 0.000 2.584 269 S HA 0.150 4.598 4.470 -0.036 0.000 0.270 269 S C 0.167 174.784 174.600 0.029 0.000 1.346 269 S CA -0.181 58.016 58.200 -0.006 0.000 1.018 269 S CB 0.268 63.471 63.200 0.006 0.000 0.899 269 S HN 0.698 nan 8.310 nan 0.000 0.542 270 D N 1.502 121.878 120.400 -0.040 0.000 2.395 270 D HA 0.150 4.768 4.640 -0.036 0.000 0.213 270 D C 0.044 176.340 176.300 -0.007 0.000 1.110 270 D CA 0.014 53.995 54.000 -0.031 0.000 0.835 270 D CB 0.211 40.958 40.800 -0.089 0.000 0.965 270 D HN 0.482 nan 8.370 nan 0.000 0.505 271 R N 0.655 121.161 120.500 0.009 0.000 2.489 271 R HA 0.297 4.616 4.340 -0.036 0.000 0.287 271 R C 1.068 177.393 176.300 0.041 0.000 1.053 271 R CA -0.054 56.058 56.100 0.020 0.000 1.036 271 R CB 0.932 31.248 30.300 0.026 0.000 0.966 271 R HN -0.062 nan 8.270 nan 0.000 0.432 272 A N 3.481 126.319 122.820 0.029 0.000 1.930 272 A HA -0.130 4.168 4.320 -0.036 0.000 0.215 272 A C 1.289 178.920 177.584 0.078 0.000 1.176 272 A CA 1.143 53.200 52.037 0.035 0.000 0.632 272 A CB -0.084 18.926 19.000 0.017 0.000 0.819 272 A HN 0.857 nan 8.150 nan 0.000 0.445 273 D N 0.180 120.627 120.400 0.078 0.000 2.392 273 D HA -0.163 4.455 4.640 -0.036 0.000 0.228 273 D C 1.226 177.618 176.300 0.153 0.000 1.003 273 D CA 1.143 55.203 54.000 0.101 0.000 0.917 273 D CB -0.287 40.562 40.800 0.083 0.000 0.890 273 D HN 0.790 nan 8.370 nan 0.000 0.532 274 R N -0.646 119.962 120.500 0.180 0.000 2.566 274 R HA 0.192 4.510 4.340 -0.036 0.000 0.388 274 R C -0.290 176.240 176.300 0.384 0.000 0.989 274 R CA -0.436 55.853 56.100 0.315 0.000 1.164 274 R CB -0.088 30.339 30.300 0.211 0.000 1.459 274 R HN -0.220 nan 8.270 nan 0.000 0.553 275 T N 1.453 116.152 114.554 0.241 0.000 2.799 275 T HA 0.442 4.770 4.350 -0.036 0.000 0.286 275 T C -0.422 174.395 174.700 0.195 0.000 0.973 275 T CA -0.315 61.923 62.100 0.230 0.000 1.035 275 T CB 2.213 71.172 68.868 0.152 0.000 0.932 275 T HN -0.041 nan 8.240 nan 0.000 0.469 276 V N 3.620 123.625 119.914 0.152 0.000 2.680 276 V HA 0.581 4.679 4.120 -0.036 0.000 0.309 276 V C -0.365 175.753 176.094 0.040 0.000 1.052 276 V CA -0.840 61.460 62.300 0.001 0.000 0.908 276 V CB 2.075 33.736 31.823 -0.270 0.000 1.001 276 V HN 0.739 nan 8.190 nan 0.000 0.431 277 V N 2.260 122.151 119.914 -0.039 0.000 2.487 277 V HA 0.905 5.003 4.120 -0.036 0.000 0.298 277 V C 0.060 176.112 176.094 -0.070 0.000 1.028 277 V CA -0.649 61.598 62.300 -0.088 0.000 0.860 277 V CB 1.386 33.015 31.823 -0.323 0.000 0.991 277 V HN 1.024 nan 8.190 nan 0.000 0.427 278 A N 3.276 126.075 122.820 -0.036 0.000 2.335 278 A HA 0.976 5.274 4.320 -0.036 0.000 0.304 278 A C 0.040 177.595 177.584 -0.048 0.000 1.118 278 A CA -0.012 51.975 52.037 -0.084 0.000 0.757 278 A CB 1.573 20.475 19.000 -0.162 0.000 1.188 278 A HN 1.281 nan 8.150 nan 0.000 0.460 279 G N 0.598 109.352 108.800 -0.077 0.000 2.642 279 G HA2 0.612 4.550 3.960 -0.036 0.000 0.293 279 G HA3 0.612 4.550 3.960 -0.036 0.000 0.293 279 G C -1.458 173.297 174.900 -0.242 0.000 1.341 279 G CA -0.585 44.464 45.100 -0.085 0.000 0.916 279 G HN 0.666 nan 8.290 nan 0.000 0.474 280 Q N -0.133 119.461 119.800 -0.343 0.000 2.375 280 Q HA 0.632 4.950 4.340 -0.036 0.000 0.271 280 Q C 0.605 176.268 176.000 -0.561 0.000 1.074 280 Q CA 0.137 55.502 55.803 -0.730 0.000 0.808 280 Q CB 2.298 30.228 28.738 -1.345 0.000 1.327 280 Q HN 1.026 nan 8.270 nan 0.000 0.441 281 S N 0.309 115.705 115.700 -0.508 0.000 4.155 281 S HA -0.344 4.104 4.470 -0.036 0.000 0.552 281 S C 1.035 175.540 174.600 -0.159 0.000 1.869 281 S CA 1.483 59.553 58.200 -0.217 0.000 4.246 281 S CB -1.308 61.808 63.200 -0.140 0.000 0.245 281 S HN 0.522 nan 8.310 nan 0.000 0.461 282 F N 3.455 123.289 119.950 -0.194 0.000 2.234 282 F HA 0.186 4.690 4.527 -0.037 0.000 0.299 282 F C 2.831 178.461 175.800 -0.283 0.000 1.087 282 F CA 0.884 58.712 58.000 -0.287 0.000 1.340 282 F CB -1.552 37.291 39.000 -0.260 0.000 1.031 282 F HN 0.631 nan 8.300 nan 0.000 0.500 283 G N -0.549 108.228 108.800 -0.038 0.000 2.394 283 G HA2 -0.115 3.823 3.960 -0.036 0.000 0.215 283 G HA3 -0.115 3.823 3.960 -0.036 0.000 0.215 283 G C 2.084 176.955 174.900 -0.047 0.000 1.165 283 G CA 0.725 45.797 45.100 -0.047 0.000 0.784 283 G HN 0.486 nan 8.290 nan 0.000 0.535 284 G N 0.859 109.577 108.800 -0.136 0.000 2.446 284 G HA2 -0.223 3.715 3.960 -0.036 0.000 0.217 284 G HA3 -0.223 3.715 3.960 -0.036 0.000 0.217 284 G C 1.717 176.572 174.900 -0.074 0.000 1.168 284 G CA 0.805 45.837 45.100 -0.113 0.000 0.771 284 G HN 0.374 nan 8.290 nan 0.000 0.551 285 L N 0.459 121.533 121.223 -0.249 0.000 2.017 285 L HA -0.094 4.224 4.340 -0.036 0.000 0.208 285 L C 2.936 179.822 176.870 0.026 0.000 1.073 285 L CA 1.994 56.675 54.840 -0.266 0.000 0.745 285 L CB -0.496 41.328 42.059 -0.391 0.000 0.894 285 L HN 0.354 nan 8.230 nan 0.000 0.432 286 S N -0.624 115.085 115.700 0.015 0.000 2.370 286 S HA -0.191 4.257 4.470 -0.036 0.000 0.226 286 S C 2.058 176.867 174.600 0.347 0.000 1.033 286 S CA 1.343 59.679 58.200 0.227 0.000 1.011 286 S CB -0.145 63.165 63.200 0.182 0.000 0.852 286 S HN 0.614 nan 8.310 nan 0.000 0.457 287 A N 1.448 124.386 122.820 0.197 0.000 1.877 287 A HA -0.007 4.291 4.320 -0.036 0.000 0.216 287 A C 2.233 179.828 177.584 0.018 0.000 1.186 287 A CA 1.435 53.503 52.037 0.052 0.000 0.620 287 A CB -0.909 18.109 19.000 0.030 0.000 0.822 287 A HN 0.563 nan 8.150 nan 0.000 0.443 288 L N -1.783 119.531 121.223 0.152 0.000 2.083 288 L HA -0.190 4.128 4.340 -0.036 0.000 0.209 288 L C 2.531 179.512 176.870 0.185 0.000 1.083 288 L CA 2.166 57.115 54.840 0.182 0.000 0.752 288 L CB -0.437 41.812 42.059 0.317 0.000 0.899 288 L HN 0.652 nan 8.230 nan 0.000 0.433 289 Y N 0.290 120.662 120.300 0.120 0.000 2.274 289 Y HA -0.224 4.304 4.550 -0.037 0.000 0.290 289 Y C 2.336 178.296 175.900 0.100 0.000 1.145 289 Y CA 1.343 59.538 58.100 0.158 0.000 1.203 289 Y CB -0.215 38.343 38.460 0.163 0.000 0.984 289 Y HN 0.206 nan 8.280 nan 0.000 0.533 290 A N 0.046 122.749 122.820 -0.196 0.000 1.873 290 A HA -0.066 4.232 4.320 -0.036 0.000 0.215 290 A C 2.466 180.013 177.584 -0.061 0.000 1.186 290 A CA 1.687 53.363 52.037 -0.602 0.000 0.616 290 A CB -1.610 16.372 19.000 -1.696 0.000 0.823 290 A HN 0.552 nan 8.150 nan 0.000 0.442 291 G N -0.594 108.177 108.800 -0.049 0.000 2.403 291 G HA2 -0.015 3.923 3.960 -0.036 0.000 0.216 291 G HA3 -0.015 3.923 3.960 -0.036 0.000 0.216 291 G C 1.324 176.243 174.900 0.031 0.000 1.154 291 G CA 0.916 46.058 45.100 0.070 0.000 0.784 291 G HN 0.306 nan 8.290 nan 0.000 0.538 292 L N 0.451 121.669 121.223 -0.008 0.000 2.081 292 L HA -0.082 4.236 4.340 -0.036 0.000 0.212 292 L C 2.359 179.047 176.870 -0.303 0.000 1.080 292 L CA 1.483 56.265 54.840 -0.097 0.000 0.754 292 L CB -0.928 41.120 42.059 -0.019 0.000 0.893 292 L HN 0.378 nan 8.230 nan 0.000 0.433 293 H N -3.860 114.954 119.070 -0.427 0.000 2.639 293 H HA 0.066 4.600 4.556 -0.037 0.000 0.267 293 H C 0.114 174.868 175.328 -0.956 0.000 0.958 293 H CA 0.297 55.813 56.048 -0.887 0.000 1.221 293 H CB 0.638 29.402 29.762 -1.663 0.000 1.446 293 H HN 0.299 nan 8.280 nan 0.000 0.512 294 W N 1.319 122.629 121.300 0.017 0.000 1.590 294 W HA 0.233 4.873 4.660 -0.035 0.000 0.299 294 W C -2.618 173.913 176.519 0.020 0.000 0.872 294 W CA -1.542 55.825 57.345 0.037 0.000 1.961 294 W CB 0.701 30.226 29.460 0.109 0.000 2.140 294 W HN 0.072 nan 8.180 nan 0.000 0.433 295 P HA -0.171 nan 4.420 nan 0.000 0.225 295 P C 1.687 179.018 177.300 0.051 0.000 1.156 295 P CA 1.638 64.781 63.100 0.072 0.000 0.787 295 P CB 0.204 31.910 31.700 0.010 0.000 0.802 296 E N 0.161 120.386 120.200 0.042 0.000 2.347 296 E HA -0.154 4.175 4.350 -0.036 0.000 0.196 296 E C 1.812 178.390 176.600 -0.038 0.000 1.008 296 E CA 0.992 57.399 56.400 0.011 0.000 0.852 296 E CB -0.190 29.523 29.700 0.021 0.000 0.783 296 E HN 0.150 nan 8.360 nan 0.000 0.505 297 R N -0.121 120.322 120.500 -0.096 0.000 2.194 297 R HA 0.222 4.540 4.340 -0.036 0.000 0.194 297 R C -0.132 175.855 176.300 -0.523 0.000 0.985 297 R CA 0.442 56.312 56.100 -0.383 0.000 1.104 297 R CB 0.270 30.189 30.300 -0.636 0.000 1.092 297 R HN 0.040 nan 8.270 nan 0.000 0.555 298 F N 0.002 119.976 119.950 0.040 0.000 2.366 298 F HA 0.456 4.960 4.527 -0.038 0.000 0.366 298 F C 1.060 176.864 175.800 0.006 0.000 1.096 298 F CA -0.693 57.304 58.000 -0.004 0.000 1.060 298 F CB 2.223 41.169 39.000 -0.091 0.000 1.282 298 F HN 0.167 nan 8.300 nan 0.000 0.450 299 G N 1.007 109.900 108.800 0.154 0.000 3.020 299 G HA2 0.105 4.043 3.960 -0.036 0.000 0.217 299 G HA3 0.105 4.043 3.960 -0.036 0.000 0.217 299 G C -0.340 174.616 174.900 0.094 0.000 1.144 299 G CA 0.160 45.324 45.100 0.107 0.000 0.760 299 G HN 0.579 nan 8.290 nan 0.000 0.548 300 C N 0.883 120.236 119.300 0.089 0.000 2.319 300 C HA 0.680 5.118 4.460 -0.036 0.000 0.323 300 C C -0.152 174.835 174.990 -0.004 0.000 1.277 300 C CA -0.794 58.239 59.018 0.024 0.000 1.517 300 C CB 0.877 28.590 27.740 -0.046 0.000 2.206 300 C HN 0.049 nan 8.230 nan 0.000 0.486 301 V N 5.165 125.076 119.914 -0.005 0.000 2.409 301 V HA 0.483 4.581 4.120 -0.036 0.000 0.291 301 V C -0.556 175.517 176.094 -0.034 0.000 1.020 301 V CA -0.389 61.903 62.300 -0.012 0.000 0.848 301 V CB 1.548 33.391 31.823 0.033 0.000 0.990 301 V HN 0.636 nan 8.190 nan 0.000 0.430 302 L N 5.550 126.728 121.223 -0.075 0.000 2.324 302 L HA 0.650 4.968 4.340 -0.036 0.000 0.274 302 L C -0.105 176.720 176.870 -0.074 0.000 1.012 302 L CA 0.241 55.022 54.840 -0.099 0.000 0.859 302 L CB 1.495 43.447 42.059 -0.178 0.000 1.224 302 L HN 0.597 nan 8.230 nan 0.000 0.429 303 S N 4.880 120.567 115.700 -0.022 0.000 2.474 303 S HA 0.588 5.037 4.470 -0.036 0.000 0.321 303 S C -0.706 173.865 174.600 -0.049 0.000 1.080 303 S CA -0.489 57.714 58.200 0.005 0.000 1.106 303 S CB 0.552 63.854 63.200 0.170 0.000 0.984 303 S HN 0.725 nan 8.310 nan 0.000 0.464 304 Q N 2.983 122.679 119.800 -0.173 0.000 2.333 304 Q HA 0.437 4.756 4.340 -0.036 0.000 0.265 304 Q C -0.060 175.778 176.000 -0.270 0.000 0.989 304 Q CA -0.710 54.954 55.803 -0.232 0.000 0.842 304 Q CB 1.671 30.170 28.738 -0.398 0.000 1.262 304 Q HN 0.849 nan 8.270 nan 0.000 0.451 305 S N 0.767 116.462 115.700 -0.007 0.000 3.641 305 S HA -0.167 4.282 4.470 -0.036 0.000 0.346 305 S C 0.474 175.110 174.600 0.060 0.000 1.074 305 S CA 0.328 58.611 58.200 0.139 0.000 1.026 305 S CB -1.296 62.119 63.200 0.358 0.000 0.908 305 S HN 0.951 nan 8.310 nan 0.000 0.479 306 G N 1.009 109.819 108.800 0.017 0.000 2.340 306 G HA2 0.354 4.292 3.960 -0.036 0.000 0.245 306 G HA3 0.354 4.292 3.960 -0.036 0.000 0.245 306 G C 0.195 174.867 174.900 -0.381 0.000 1.294 306 G CA -0.247 44.682 45.100 -0.284 0.000 0.896 306 G HN 0.509 nan 8.290 nan 0.000 0.522 307 S N 2.221 117.678 115.700 -0.406 0.000 4.175 307 S HA 0.064 4.513 4.470 -0.036 0.000 0.193 307 S C 0.229 174.537 174.600 -0.488 0.000 1.373 307 S CA -0.258 57.795 58.200 -0.246 0.000 0.908 307 S CB -0.326 62.739 63.200 -0.225 0.000 1.547 307 S HN 0.579 nan 8.310 nan 0.000 0.440 308 Y N 0.664 121.025 120.300 0.101 0.000 2.519 308 Y HA 0.017 4.545 4.550 -0.037 0.000 0.311 308 Y C 1.699 177.714 175.900 0.191 0.000 1.207 308 Y CA -0.641 57.531 58.100 0.121 0.000 1.289 308 Y CB -0.505 38.065 38.460 0.183 0.000 1.059 308 Y HN 0.782 nan 8.280 nan 0.000 0.507 309 W N -2.488 119.010 121.300 0.329 0.000 2.737 309 W HA 0.010 4.648 4.660 -0.036 0.000 0.262 309 W C 0.273 176.967 176.519 0.292 0.000 1.282 309 W CA -1.030 56.486 57.345 0.284 0.000 1.386 309 W CB -1.069 28.518 29.460 0.212 0.000 1.099 309 W HN 0.122 nan 8.180 nan 0.000 0.621 310 W N 6.579 127.436 121.300 -0.737 0.000 2.391 310 W HA -0.039 4.601 4.660 -0.035 0.000 0.339 310 W C -1.579 174.757 176.519 -0.305 0.000 1.252 310 W CA -0.613 56.237 57.345 -0.825 0.000 1.304 310 W CB 0.674 29.620 29.460 -0.857 0.000 1.179 310 W HN -0.226 nan 8.180 nan 0.000 0.567 311 P HA 0.029 nan 4.420 nan 0.000 0.269 311 P C -0.776 176.327 177.300 -0.328 0.000 1.478 311 P CA 0.225 62.426 63.100 -1.498 0.000 1.045 311 P CB 0.200 30.564 31.700 -2.227 0.000 1.512 312 H N 0.959 120.167 119.070 0.231 0.000 2.782 312 H HA 0.248 4.783 4.556 -0.036 0.000 0.285 312 H C 0.700 176.218 175.328 0.317 0.000 1.093 312 H CA -0.311 55.875 56.048 0.230 0.000 1.410 312 H CB 0.897 30.743 29.762 0.140 0.000 1.439 312 H HN -0.037 nan 8.280 nan 0.000 0.469 313 R N 1.425 122.033 120.500 0.179 0.000 2.458 313 R HA 0.138 4.456 4.340 -0.036 0.000 0.303 313 R C 0.790 177.076 176.300 -0.023 0.000 1.013 313 R CA 0.960 57.004 56.100 -0.093 0.000 1.026 313 R CB 0.383 30.616 30.300 -0.112 0.000 0.948 313 R HN 1.072 nan 8.270 nan 0.000 0.417 314 G N 1.154 109.906 108.800 -0.079 0.000 3.465 314 G HA2 -0.162 3.776 3.960 -0.036 0.000 0.196 314 G HA3 -0.162 3.776 3.960 -0.036 0.000 0.196 314 G C 0.619 175.520 174.900 0.001 0.000 1.170 314 G CA -0.000 45.079 45.100 -0.035 0.000 0.887 314 G HN 1.001 nan 8.290 nan 0.000 0.444 315 G N 0.360 109.202 108.800 0.070 0.000 2.157 315 G HA2 -0.224 3.714 3.960 -0.036 0.000 0.248 315 G HA3 -0.224 3.714 3.960 -0.036 0.000 0.248 315 G C 1.294 176.238 174.900 0.073 0.000 0.979 315 G CA 1.634 46.796 45.100 0.103 0.000 0.650 315 G HN 1.537 nan 8.290 nan 0.000 0.529 316 Q N -0.314 119.516 119.800 0.049 0.000 1.967 316 Q HA -0.035 4.283 4.340 -0.036 0.000 0.202 316 Q C 1.137 177.131 176.000 -0.010 0.000 0.985 316 Q CA 1.205 57.016 55.803 0.013 0.000 0.839 316 Q CB -0.292 28.443 28.738 -0.005 0.000 0.906 316 Q HN 0.656 nan 8.270 nan 0.000 0.423 317 Q N 1.684 121.446 119.800 -0.063 0.000 2.227 317 Q HA 0.198 4.516 4.340 -0.036 0.000 0.245 317 Q C -0.946 175.067 176.000 0.022 0.000 0.926 317 Q CA -0.526 55.190 55.803 -0.145 0.000 0.895 317 Q CB 1.301 29.697 28.738 -0.571 0.000 1.230 317 Q HN 0.260 nan 8.270 nan 0.000 0.450 318 E N 0.404 120.638 120.200 0.057 0.000 2.418 318 E HA 0.244 4.573 4.350 -0.036 0.000 0.261 318 E C 0.334 177.106 176.600 0.286 0.000 1.070 318 E CA -0.322 56.177 56.400 0.165 0.000 0.931 318 E CB 0.103 29.879 29.700 0.126 0.000 0.954 318 E HN 0.659 nan 8.360 nan 0.000 0.439 319 G N 0.826 109.831 108.800 0.341 0.000 2.647 319 G HA2 -0.074 3.864 3.960 -0.036 0.000 0.234 319 G HA3 -0.074 3.864 3.960 -0.036 0.000 0.234 319 G C 0.866 175.948 174.900 0.303 0.000 1.252 319 G CA -0.383 44.931 45.100 0.356 0.000 0.846 319 G HN 0.435 nan 8.290 nan 0.000 0.589 320 V N 1.979 122.051 119.914 0.264 0.000 2.282 320 V HA -0.153 3.945 4.120 -0.036 0.000 0.249 320 V C 2.643 178.885 176.094 0.247 0.000 1.057 320 V CA 1.921 64.364 62.300 0.238 0.000 1.032 320 V CB -0.414 31.542 31.823 0.222 0.000 0.645 320 V HN 0.659 nan 8.190 nan 0.000 0.447 321 L N -1.061 120.334 121.223 0.287 0.000 2.093 321 L HA -0.143 4.175 4.340 -0.036 0.000 0.208 321 L C 2.342 179.339 176.870 0.211 0.000 1.085 321 L CA 2.018 57.027 54.840 0.282 0.000 0.755 321 L CB -0.454 41.816 42.059 0.351 0.000 0.904 321 L HN 0.319 nan 8.230 nan 0.000 0.435 322 L N 0.106 121.450 121.223 0.202 0.000 2.005 322 L HA -0.181 4.137 4.340 -0.036 0.000 0.207 322 L C 2.564 179.505 176.870 0.118 0.000 1.072 322 L CA 1.469 56.393 54.840 0.140 0.000 0.744 322 L CB -0.681 41.468 42.059 0.151 0.000 0.895 322 L HN 0.217 nan 8.230 nan 0.000 0.433 323 E N -0.259 120.023 120.200 0.136 0.000 2.114 323 E HA -0.339 3.989 4.350 -0.036 0.000 0.199 323 E C 2.167 178.826 176.600 0.098 0.000 1.008 323 E CA 1.750 58.216 56.400 0.110 0.000 0.810 323 E CB -0.055 29.720 29.700 0.126 0.000 0.739 323 E HN 0.315 nan 8.360 nan 0.000 0.456 324 K N 0.131 120.604 120.400 0.122 0.000 2.288 324 K HA -0.040 4.258 4.320 -0.036 0.000 0.201 324 K C 2.063 178.707 176.600 0.074 0.000 1.048 324 K CA 0.250 56.604 56.287 0.111 0.000 0.956 324 K CB 0.161 32.758 32.500 0.160 0.000 0.746 324 K HN 0.060 nan 8.250 nan 0.000 0.461 325 L N 0.261 121.526 121.223 0.069 0.000 2.068 325 L HA -0.103 4.215 4.340 -0.036 0.000 0.204 325 L C 2.219 179.105 176.870 0.027 0.000 1.076 325 L CA 1.077 55.939 54.840 0.037 0.000 0.753 325 L CB -0.242 41.837 42.059 0.033 0.000 0.910 325 L HN 0.039 nan 8.230 nan 0.000 0.439 326 K N 0.259 120.680 120.400 0.036 0.000 2.113 326 K HA -0.179 4.119 4.320 -0.036 0.000 0.208 326 K C 1.885 178.499 176.600 0.023 0.000 1.047 326 K CA 1.561 57.864 56.287 0.027 0.000 0.928 326 K CB -0.200 32.320 32.500 0.033 0.000 0.716 326 K HN 0.290 nan 8.250 nan 0.000 0.446 327 A N 0.221 123.059 122.820 0.031 0.000 2.238 327 A HA 0.142 4.440 4.320 -0.036 0.000 0.208 327 A C 1.321 178.915 177.584 0.015 0.000 1.177 327 A CA 0.826 52.879 52.037 0.026 0.000 0.804 327 A CB -0.377 18.645 19.000 0.037 0.000 0.823 327 A HN 0.437 nan 8.150 nan 0.000 0.482 328 G N -0.242 108.564 108.800 0.010 0.000 2.233 328 G HA2 -0.333 3.606 3.960 -0.036 0.000 0.270 328 G HA3 -0.333 3.606 3.960 -0.036 0.000 0.270 328 G C 0.614 175.507 174.900 -0.012 0.000 1.011 328 G CA 0.832 45.930 45.100 -0.005 0.000 0.762 328 G HN 0.648 nan 8.290 nan 0.000 0.511 329 E N -1.298 118.903 120.200 0.001 0.000 2.204 329 E HA 0.094 4.422 4.350 -0.036 0.000 0.194 329 E C 1.029 177.599 176.600 -0.050 0.000 0.989 329 E CA 1.238 57.635 56.400 -0.004 0.000 0.824 329 E CB 0.129 29.849 29.700 0.034 0.000 0.756 329 E HN 0.502 nan 8.360 nan 0.000 0.477 330 V N -0.037 119.842 119.914 -0.058 0.000 3.102 330 V HA 0.348 4.446 4.120 -0.036 0.000 0.312 330 V C -0.400 175.635 176.094 -0.098 0.000 1.135 330 V CA -0.942 61.276 62.300 -0.137 0.000 1.022 330 V CB 2.099 33.816 31.823 -0.175 0.000 1.056 330 V HN 0.078 nan 8.190 nan 0.000 0.436 331 S N 0.576 116.199 115.700 -0.128 0.000 2.569 331 S HA 0.813 5.262 4.470 -0.036 0.000 0.280 331 S C -0.218 174.331 174.600 -0.085 0.000 1.111 331 S CA -0.099 58.049 58.200 -0.086 0.000 0.887 331 S CB 2.092 65.244 63.200 -0.080 0.000 1.095 331 S HN 1.486 nan 8.310 nan 0.000 0.476 332 A N 1.029 123.818 122.820 -0.052 0.000 2.842 332 A HA 0.456 4.754 4.320 -0.036 0.000 0.298 332 A C 0.039 177.608 177.584 -0.025 0.000 1.293 332 A CA -0.676 51.342 52.037 -0.032 0.000 0.959 332 A CB -0.771 18.223 19.000 -0.010 0.000 1.119 332 A HN 0.831 nan 8.150 nan 0.000 0.564 333 E N -0.414 119.763 120.200 -0.039 0.000 2.360 333 E HA 0.440 4.768 4.350 -0.036 0.000 0.269 333 E C 0.937 177.527 176.600 -0.015 0.000 1.022 333 E CA 0.174 56.556 56.400 -0.030 0.000 0.887 333 E CB 0.416 30.092 29.700 -0.040 0.000 0.990 333 E HN 0.672 nan 8.360 nan 0.000 0.426 334 G N 2.833 111.632 108.800 -0.003 0.000 2.246 334 G HA2 -0.268 3.670 3.960 -0.036 0.000 0.273 334 G HA3 -0.268 3.670 3.960 -0.036 0.000 0.273 334 G C -0.338 174.581 174.900 0.031 0.000 1.055 334 G CA -0.209 44.898 45.100 0.012 0.000 0.851 334 G HN 0.395 nan 8.290 nan 0.000 0.500 335 L N -0.303 120.941 121.223 0.036 0.000 2.381 335 L HA 0.538 4.857 4.340 -0.036 0.000 0.274 335 L C 0.602 177.520 176.870 0.079 0.000 0.988 335 L CA -0.937 53.936 54.840 0.056 0.000 0.824 335 L CB 1.714 43.802 42.059 0.049 0.000 1.263 335 L HN 0.141 nan 8.230 nan 0.000 0.410 336 R N 3.576 124.137 120.500 0.102 0.000 2.312 336 R HA 0.618 4.936 4.340 -0.036 0.000 0.311 336 R C -0.813 175.575 176.300 0.146 0.000 1.004 336 R CA -0.597 55.596 56.100 0.155 0.000 0.902 336 R CB 1.797 32.210 30.300 0.189 0.000 1.073 336 R HN 0.490 nan 8.270 nan 0.000 0.457 337 I N -0.316 120.373 120.570 0.198 0.000 2.619 337 I HA 0.348 4.497 4.170 -0.036 0.000 0.292 337 I C -1.142 175.113 176.117 0.230 0.000 1.100 337 I CA -0.782 60.613 61.300 0.158 0.000 1.043 337 I CB 2.157 40.237 38.000 0.133 0.000 1.239 337 I HN 0.216 nan 8.210 nan 0.000 0.420 338 V N 7.161 127.145 119.914 0.118 0.000 2.407 338 V HA 0.411 4.510 4.120 -0.036 0.000 0.278 338 V C -0.038 176.100 176.094 0.073 0.000 1.037 338 V CA -0.454 61.909 62.300 0.105 0.000 0.900 338 V CB 1.263 33.045 31.823 -0.069 0.000 0.983 338 V HN 0.654 nan 8.190 nan 0.000 0.459 339 L N 5.294 126.568 121.223 0.084 0.000 2.337 339 L HA 0.524 4.842 4.340 -0.036 0.000 0.269 339 L C -0.033 176.715 176.870 -0.203 0.000 1.018 339 L CA -0.100 54.772 54.840 0.052 0.000 0.876 339 L CB 1.317 43.527 42.059 0.253 0.000 1.236 339 L HN 0.774 nan 8.230 nan 0.000 0.436 340 E N 3.886 123.985 120.200 -0.168 0.000 2.183 340 E HA 0.785 5.114 4.350 -0.036 0.000 0.271 340 E C -1.463 175.043 176.600 -0.156 0.000 0.919 340 E CA -0.552 55.696 56.400 -0.253 0.000 0.781 340 E CB 2.254 31.865 29.700 -0.149 0.000 1.140 340 E HN 0.591 nan 8.360 nan 0.000 0.402 341 A N 2.993 125.687 122.820 -0.210 0.000 2.547 341 A HA 0.643 4.942 4.320 -0.036 0.000 0.297 341 A C -0.192 177.373 177.584 -0.031 0.000 1.056 341 A CA -0.270 51.748 52.037 -0.031 0.000 0.688 341 A CB 1.480 20.501 19.000 0.035 0.000 1.282 341 A HN 0.703 nan 8.150 nan 0.000 0.400 342 G N -0.019 108.809 108.800 0.047 0.000 2.634 342 G HA2 0.461 4.399 3.960 -0.036 0.000 0.255 342 G HA3 0.461 4.399 3.960 -0.036 0.000 0.255 342 G C 0.873 175.796 174.900 0.038 0.000 1.205 342 G CA 0.048 45.158 45.100 0.015 0.000 0.884 342 G HN 1.372 nan 8.290 nan 0.000 0.549 343 I N -2.652 117.934 120.570 0.026 0.000 3.035 343 I HA 0.245 4.393 4.170 -0.036 0.000 0.271 343 I C 2.162 178.308 176.117 0.049 0.000 1.190 343 I CA 0.080 61.409 61.300 0.049 0.000 1.472 343 I CB 0.096 38.123 38.000 0.045 0.000 1.116 343 I HN 0.294 nan 8.210 nan 0.000 0.443 344 R N 2.052 122.572 120.500 0.033 0.000 2.323 344 R HA 0.042 4.361 4.340 -0.036 0.000 0.198 344 R C -0.065 176.256 176.300 0.034 0.000 0.988 344 R CA 0.486 56.605 56.100 0.033 0.000 1.041 344 R CB -0.074 30.243 30.300 0.028 0.000 0.926 344 R HN 0.638 nan 8.270 nan 0.000 0.476 345 E N -0.135 120.100 120.200 0.058 0.000 3.406 345 E HA 0.257 4.585 4.350 -0.036 0.000 0.210 345 E C -2.442 174.214 176.600 0.092 0.000 1.167 345 E CA -2.092 54.357 56.400 0.082 0.000 1.132 345 E CB 0.540 30.335 29.700 0.158 0.000 1.309 345 E HN -0.103 nan 8.360 nan 0.000 0.424 351 A N 1.793 124.784 122.820 0.284 0.000 1.969 351 A HA -0.066 4.232 4.320 -0.036 0.000 0.218 351 A C 1.743 179.540 177.584 0.354 0.000 1.169 351 A CA 1.464 53.703 52.037 0.337 0.000 0.635 351 A CB -0.462 18.801 19.000 0.438 0.000 0.810 351 A HN 0.292 nan 8.150 nan 0.000 0.445 352 N N -0.144 118.798 118.700 0.404 0.000 2.250 352 N HA -0.143 4.575 4.740 -0.036 0.000 0.181 352 N C 1.998 177.805 175.510 0.495 0.000 1.017 352 N CA 1.439 54.769 53.050 0.467 0.000 0.866 352 N CB -0.192 38.591 38.487 0.493 0.000 0.985 352 N HN 0.824 nan 8.380 nan 0.000 0.429 353 Q N 0.475 120.532 119.800 0.428 0.000 2.311 353 Q HA 0.115 4.433 4.340 -0.036 0.000 0.203 353 Q C 1.842 177.890 176.000 0.081 0.000 0.954 353 Q CA 0.902 56.781 55.803 0.127 0.000 0.885 353 Q CB -0.095 28.716 28.738 0.122 0.000 0.963 353 Q HN 0.150 nan 8.270 nan 0.000 0.471 354 A N 1.742 124.642 122.820 0.133 0.000 1.930 354 A HA -0.107 4.192 4.320 -0.036 0.000 0.217 354 A C 2.109 179.733 177.584 0.067 0.000 1.175 354 A CA 1.190 53.282 52.037 0.092 0.000 0.627 354 A CB -0.495 18.578 19.000 0.122 0.000 0.815 354 A HN 0.375 nan 8.150 nan 0.000 0.443 355 L N -1.671 119.603 121.223 0.086 0.000 2.093 355 L HA -0.083 4.236 4.340 -0.036 0.000 0.208 355 L C 2.237 179.133 176.870 0.043 0.000 1.085 355 L CA 2.118 56.966 54.840 0.012 0.000 0.755 355 L CB -0.852 41.119 42.059 -0.147 0.000 0.904 355 L HN 0.517 nan 8.230 nan 0.000 0.435 356 Y N 0.114 120.366 120.300 -0.080 0.000 2.128 356 Y HA -0.333 4.195 4.550 -0.036 0.000 0.284 356 Y C 2.436 178.252 175.900 -0.140 0.000 1.154 356 Y CA 1.927 59.927 58.100 -0.166 0.000 1.149 356 Y CB -0.189 37.948 38.460 -0.539 0.000 0.976 356 Y HN 0.311 nan 8.280 nan 0.000 0.505 357 A N -0.246 122.467 122.820 -0.179 0.000 1.933 357 A HA -0.280 4.018 4.320 -0.036 0.000 0.218 357 A C 2.026 179.526 177.584 -0.141 0.000 1.175 357 A CA 1.883 53.791 52.037 -0.215 0.000 0.628 357 A CB -0.773 18.157 19.000 -0.118 0.000 0.814 357 A HN 0.578 nan 8.150 nan 0.000 0.444 358 Q N -0.231 119.522 119.800 -0.077 0.000 2.378 358 Q HA 0.102 4.420 4.340 -0.036 0.000 0.205 358 Q C 0.830 176.806 176.000 -0.040 0.000 0.954 358 Q CA 0.899 56.678 55.803 -0.040 0.000 0.901 358 Q CB -0.457 28.274 28.738 -0.011 0.000 0.981 358 Q HN 0.607 nan 8.270 nan 0.000 0.483 359 L N 0.849 122.028 121.223 -0.074 0.000 2.968 359 L HA 0.169 4.488 4.340 -0.036 0.000 0.235 359 L C 0.983 177.764 176.870 -0.149 0.000 1.323 359 L CA -0.186 54.608 54.840 -0.078 0.000 1.159 359 L CB -0.381 41.662 42.059 -0.027 0.000 1.523 359 L HN 0.267 nan 8.230 nan 0.000 0.468 360 H N 1.577 120.516 119.070 -0.219 0.000 2.353 360 H HA -0.081 4.453 4.556 -0.036 0.000 0.300 360 H C -0.678 174.555 175.328 -0.159 0.000 1.090 360 H CA 1.634 57.539 56.048 -0.238 0.000 1.327 360 H CB -0.459 29.192 29.762 -0.185 0.000 1.383 360 H HN 0.176 nan 8.280 nan 0.000 0.508 361 P HA -0.106 nan 4.420 nan 0.000 0.217 361 P C 1.209 178.366 177.300 -0.238 0.000 1.150 361 P CA 1.446 64.376 63.100 -0.284 0.000 0.832 361 P CB -0.040 31.591 31.700 -0.115 0.000 0.787 362 I N -3.779 116.693 120.570 -0.163 0.000 3.877 362 I HA 0.257 4.405 4.170 -0.036 0.000 0.332 362 I C 0.809 176.880 176.117 -0.076 0.000 1.525 362 I CA 0.029 61.269 61.300 -0.100 0.000 1.146 362 I CB -0.687 37.287 38.000 -0.043 0.000 1.137 362 I HN -0.181 nan 8.210 nan 0.000 0.424 363 K N 1.288 121.605 120.400 -0.139 0.000 2.293 363 K HA -0.241 4.057 4.320 -0.036 0.000 0.204 363 K C 1.661 178.255 176.600 -0.011 0.000 1.045 363 K CA 1.907 58.153 56.287 -0.068 0.000 0.933 363 K CB 0.082 32.482 32.500 -0.167 0.000 0.736 363 K HN 0.419 nan 8.250 nan 0.000 0.463 364 E N 0.845 121.011 120.200 -0.056 0.000 2.077 364 E HA -0.123 4.205 4.350 -0.036 0.000 0.193 364 E C 1.053 177.621 176.600 -0.053 0.000 0.989 364 E CA 1.543 57.911 56.400 -0.053 0.000 0.800 364 E CB 0.116 29.782 29.700 -0.057 0.000 0.746 364 E HN 0.227 nan 8.360 nan 0.000 0.452 365 S N -0.286 115.404 115.700 -0.016 0.000 2.582 365 S HA 0.315 4.763 4.470 -0.036 0.000 0.249 365 S C 0.190 174.838 174.600 0.080 0.000 1.072 365 S CA -0.571 57.642 58.200 0.022 0.000 1.115 365 S CB -0.380 62.850 63.200 0.050 0.000 0.790 365 S HN 0.153 nan 8.310 nan 0.000 0.459 366 I N 1.397 122.001 120.570 0.057 0.000 2.466 366 I HA 0.404 4.552 4.170 -0.036 0.000 0.289 366 I C -1.120 175.052 176.117 0.092 0.000 1.026 366 I CA -0.977 60.429 61.300 0.177 0.000 1.078 366 I CB 1.745 39.923 38.000 0.297 0.000 1.249 366 I HN 0.137 nan 8.210 nan 0.000 0.429 367 F N 5.892 125.912 119.950 0.117 0.000 2.451 367 F HA 0.132 4.638 4.527 -0.035 0.000 0.356 367 F C 0.323 176.167 175.800 0.072 0.000 1.178 367 F CA -0.307 57.743 58.000 0.084 0.000 1.210 367 F CB 0.189 39.207 39.000 0.030 0.000 1.504 367 F HN 0.482 nan 8.300 nan 0.000 0.598 368 W N 6.255 127.537 121.300 -0.031 0.000 2.303 368 W HA 0.315 4.954 4.660 -0.036 0.000 0.318 368 W C -0.665 175.803 176.519 -0.085 0.000 1.362 368 W CA -0.547 56.682 57.345 -0.194 0.000 1.234 368 W CB 0.589 29.697 29.460 -0.587 0.000 1.248 368 W HN 0.354 nan 8.180 nan 0.000 0.546 369 R N 5.606 125.604 120.500 -0.836 0.000 2.468 369 R HA 0.124 4.442 4.340 -0.036 0.000 0.302 369 R C -0.792 175.025 176.300 -0.804 0.000 1.041 369 R CA -0.774 54.965 56.100 -0.601 0.000 0.899 369 R CB 2.101 32.233 30.300 -0.280 0.000 1.167 369 R HN 0.537 nan 8.270 nan 0.000 0.483 370 Q N 2.955 122.403 119.800 -0.586 0.000 2.360 370 Q HA 0.311 4.629 4.340 -0.036 0.000 0.254 370 Q C 0.059 175.971 176.000 -0.148 0.000 0.975 370 Q CA -0.520 55.100 55.803 -0.305 0.000 0.912 370 Q CB 1.374 30.099 28.738 -0.022 0.000 1.212 370 Q HN 0.545 nan 8.270 nan 0.000 0.452 371 V N 0.281 120.119 119.914 -0.126 0.000 3.267 371 V HA 0.389 4.487 4.120 -0.036 0.000 0.317 371 V C 0.556 176.617 176.094 -0.055 0.000 1.131 371 V CA -0.537 61.713 62.300 -0.084 0.000 1.031 371 V CB 1.655 33.424 31.823 -0.090 0.000 1.159 371 V HN 0.708 nan 8.190 nan 0.000 0.454 372 D N 0.205 120.567 120.400 -0.064 0.000 2.277 372 D HA 0.155 4.773 4.640 -0.036 0.000 0.208 372 D C 0.941 177.193 176.300 -0.080 0.000 0.962 372 D CA 1.369 55.335 54.000 -0.056 0.000 0.865 372 D CB 0.072 40.833 40.800 -0.065 0.000 0.939 372 D HN 0.859 nan 8.370 nan 0.000 0.510 373 G N -1.273 107.454 108.800 -0.121 0.000 2.641 373 G HA2 0.554 4.492 3.960 -0.036 0.000 0.239 373 G HA3 0.554 4.492 3.960 -0.036 0.000 0.239 373 G C 0.253 175.060 174.900 -0.155 0.000 1.402 373 G CA -0.019 44.965 45.100 -0.194 0.000 1.046 373 G HN 0.278 nan 8.290 nan 0.000 0.565 374 G N -2.577 106.084 108.800 -0.233 0.000 3.251 374 G HA2 0.416 4.354 3.960 -0.036 0.000 0.248 374 G HA3 0.416 4.354 3.960 -0.036 0.000 0.248 374 G C -1.101 173.626 174.900 -0.289 0.000 1.320 374 G CA -0.655 44.340 45.100 -0.174 0.000 0.982 374 G HN 0.584 nan 8.290 nan 0.000 0.575 375 H N 0.774 119.668 119.070 -0.293 0.000 3.195 375 H HA 0.370 4.905 4.556 -0.036 0.000 0.241 375 H C -1.000 173.836 175.328 -0.820 0.000 1.823 375 H CA 0.350 56.144 56.048 -0.424 0.000 1.466 375 H CB -0.192 29.501 29.762 -0.115 0.000 1.819 375 H HN 0.166 nan 8.280 nan 0.000 0.575 376 D N 1.708 121.222 120.400 -1.476 0.000 2.763 376 D HA 0.189 4.808 4.640 -0.036 0.000 0.235 376 D C 0.697 176.350 176.300 -1.079 0.000 1.334 376 D CA -0.218 53.207 54.000 -0.958 0.000 0.950 376 D CB 1.347 41.820 40.800 -0.545 0.000 1.433 376 D HN 0.467 nan 8.370 nan 0.000 0.580 377 A N 3.199 125.654 122.820 -0.609 0.000 2.076 377 A HA -0.172 4.126 4.320 -0.036 0.000 0.220 377 A C 1.836 179.270 177.584 -0.250 0.000 1.160 377 A CA 1.008 52.892 52.037 -0.255 0.000 0.653 377 A CB -0.127 18.709 19.000 -0.275 0.000 0.801 377 A HN 0.518 nan 8.150 nan 0.000 0.455 378 L N -1.320 119.719 121.223 -0.306 0.000 2.313 378 L HA -0.017 4.301 4.340 -0.036 0.000 0.214 378 L C 2.097 178.748 176.870 -0.365 0.000 1.119 378 L CA 1.513 56.132 54.840 -0.367 0.000 0.809 378 L CB -0.315 41.608 42.059 -0.227 0.000 0.933 378 L HN 0.462 nan 8.230 nan 0.000 0.449 379 C N -2.394 116.680 119.300 -0.376 0.000 2.524 379 C HA -0.005 4.433 4.460 -0.036 0.000 0.284 379 C C 2.329 177.227 174.990 -0.154 0.000 1.346 379 C CA -0.532 58.292 59.018 -0.323 0.000 1.739 379 C CB -1.002 26.496 27.740 -0.403 0.000 2.119 379 C HN 0.668 nan 8.230 nan 0.000 0.501 380 W N 2.620 123.825 121.300 -0.158 0.000 2.342 380 W HA -0.121 4.517 4.660 -0.036 0.000 0.297 380 W C 2.643 179.096 176.519 -0.109 0.000 1.213 380 W CA 1.506 58.788 57.345 -0.105 0.000 1.251 380 W CB -1.017 28.427 29.460 -0.027 0.000 1.136 380 W HN 0.504 nan 8.180 nan 0.000 0.526 381 R N -0.041 120.521 120.500 0.103 0.000 2.200 381 R HA -0.038 4.280 4.340 -0.036 0.000 0.234 381 R C 2.122 178.402 176.300 -0.034 0.000 1.127 381 R CA 1.778 57.833 56.100 -0.075 0.000 0.989 381 R CB -1.187 28.790 30.300 -0.538 0.000 0.869 381 R HN 0.088 nan 8.270 nan 0.000 0.459 382 G N -0.232 108.522 108.800 -0.076 0.000 2.796 382 G HA2 0.046 3.984 3.960 -0.036 0.000 0.210 382 G HA3 0.046 3.984 3.960 -0.036 0.000 0.210 382 G C 1.283 176.186 174.900 0.005 0.000 1.146 382 G CA 0.201 45.317 45.100 0.028 0.000 0.779 382 G HN 0.425 nan 8.290 nan 0.000 0.535 383 G N 0.243 109.030 108.800 -0.020 0.000 2.603 383 G HA2 0.233 4.171 3.960 -0.036 0.000 0.214 383 G HA3 0.233 4.171 3.960 -0.036 0.000 0.214 383 G C 0.831 175.675 174.900 -0.092 0.000 1.140 383 G CA 0.065 45.139 45.100 -0.045 0.000 0.800 383 G HN 0.361 nan 8.290 nan 0.000 0.533 387 G N 1.610 110.309 108.800 -0.168 0.000 2.404 387 G HA2 -0.119 3.819 3.960 -0.036 0.000 0.215 387 G HA3 -0.119 3.819 3.960 -0.036 0.000 0.215 387 G C 1.209 175.927 174.900 -0.304 0.000 1.174 387 G CA 0.988 45.939 45.100 -0.248 0.000 0.780 387 G HN 0.256 nan 8.290 nan 0.000 0.537 388 L N 0.124 121.182 121.223 -0.275 0.000 2.021 388 L HA -0.154 4.164 4.340 -0.036 0.000 0.215 388 L C 2.900 179.697 176.870 -0.121 0.000 1.074 388 L CA 1.125 55.767 54.840 -0.330 0.000 0.760 388 L CB -0.457 41.504 42.059 -0.164 0.000 0.889 388 L HN 0.209 nan 8.230 nan 0.000 0.433 389 I N -0.236 120.320 120.570 -0.023 0.000 2.226 389 I HA -0.299 3.849 4.170 -0.036 0.000 0.245 389 I C 2.014 178.117 176.117 -0.023 0.000 1.100 389 I CA 1.310 62.642 61.300 0.053 0.000 1.374 389 I CB -0.345 37.661 38.000 0.011 0.000 1.057 389 I HN 0.265 nan 8.210 nan 0.000 0.413 390 D N 0.593 120.865 120.400 -0.212 0.000 2.144 390 D HA -0.094 4.524 4.640 -0.036 0.000 0.200 390 D C 2.220 178.214 176.300 -0.511 0.000 0.978 390 D CA 1.202 54.925 54.000 -0.463 0.000 0.833 390 D CB -0.129 40.129 40.800 -0.903 0.000 0.961 390 D HN 0.276 nan 8.370 nan 0.000 0.470 391 L N -1.125 119.852 121.223 -0.409 0.000 2.270 391 L HA 0.008 4.327 4.340 -0.036 0.000 0.210 391 L C 1.400 178.276 176.870 0.010 0.000 1.104 391 L CA 0.335 55.010 54.840 -0.275 0.000 0.804 391 L CB 0.111 41.945 42.059 -0.375 0.000 0.937 391 L HN 0.116 nan 8.230 nan 0.000 0.450 392 W N -0.335 120.974 121.300 0.015 0.000 3.220 392 W HA 0.163 4.805 4.660 -0.029 0.000 0.328 392 W C 2.104 178.736 176.519 0.188 0.000 1.205 392 W CA -0.369 57.029 57.345 0.087 0.000 1.773 392 W CB -0.010 29.514 29.460 0.106 0.000 1.086 392 W HN 0.183 nan 8.180 nan 0.000 0.622 393 Q N 1.271 121.296 119.800 0.376 0.000 2.124 393 Q HA -0.120 4.198 4.340 -0.036 0.000 0.202 393 Q C -0.697 175.523 176.000 0.367 0.000 0.977 393 Q CA 1.816 57.844 55.803 0.375 0.000 0.850 393 Q CB -1.179 27.695 28.738 0.228 0.000 0.901 393 Q HN -0.019 nan 8.270 nan 0.000 0.429 394 P HA -0.115 nan 4.420 nan 0.000 0.234 394 P C 0.208 177.625 177.300 0.195 0.000 1.162 394 P CA 0.876 64.120 63.100 0.240 0.000 0.759 394 P CB 0.056 31.882 31.700 0.209 0.000 0.813 395 L N -2.860 118.438 121.223 0.125 0.000 2.558 395 L HA 0.083 4.401 4.340 -0.036 0.000 0.225 395 L C 0.710 177.322 176.870 -0.429 0.000 1.128 395 L CA 0.974 55.713 54.840 -0.168 0.000 0.868 395 L CB -0.485 41.361 42.059 -0.356 0.000 1.006 395 L HN 0.018 nan 8.230 nan 0.000 0.454 396 F N -0.990 118.940 119.950 -0.032 0.000 2.923 396 F HA 0.159 4.665 4.527 -0.036 0.000 0.314 396 F C 1.330 177.083 175.800 -0.080 0.000 1.196 396 F CA -1.180 56.765 58.000 -0.092 0.000 1.320 396 F CB -0.676 38.306 39.000 -0.029 0.000 0.953 396 F HN 0.153 nan 8.300 nan 0.000 0.505 397 H N 0.000 119.146 119.070 0.126 0.000 2.539 397 H HA 0.000 4.534 4.556 -0.036 0.000 0.296 397 H CA 0.000 56.105 56.048 0.095 0.000 1.023 397 H CB 0.000 29.796 29.762 0.056 0.000 1.292 397 H HN 0.000 nan 8.280 nan 0.000 0.496