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 1irx_1_B DATA FIRST_RESID 3 DATA SEQUENCE HWADYIADKI IRERGEKEKY VVESGITPSG YVHVGNFREL FTAYIVGHAL DATA SEQUENCE RDKGYEVRHI HMWDDYDRFR KVPRNVPQEW KDYLGMPISE VPDPWGCHES DATA SEQUENCE YAEHFMRKFE EEVEKLGIEV DLLYASELYK RGEYSEEIRL AFEKRDKIME DATA SEQUENCE ILNKYREIAK QPPLPENWWP AMVYCPEHRR EAEIIEWDGG WKVKYKCPEG DATA SEQUENCE HEGWVDIRSG NVKLRWRVDW PMRWSHFGVD FEPAGKDHLV AGSSYDTGKE DATA SEQUENCE IIKEVYGKEA PLSLMYEFVG IKGQXXXXXX XXXNVILLSD LYEVLEPGLV DATA SEQUENCE RFIYARHRPN KEIKIDLGLG ILNLYDEFEK VERIYFGVEG XXXXDEELRR DATA SEQUENCE TYELSMPKKP ERLVAQAPFR FLAVLVQLPH LTEEDIINVL IKQGHIPRDL DATA SEQUENCE SKEDVERVKL RINLARNWVK KYAPEDVKFS ILEKPPEVEV SEDVREAMNE DATA SEQUENCE VAEWLENHEE FSVEEFNNIL FEVAKRRGIS SREWFSTLYR LFIGKERGPR DATA SEQUENCE LASFLASLDR SFVIKRLRLE G 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.282 175.328 -0.076 0.000 0.993 3 H CA 0.000 55.988 56.048 -0.100 0.000 1.023 3 H CB 0.000 29.771 29.762 0.015 0.000 1.292 4 W N 1.860 123.197 121.300 0.062 0.000 2.350 4 W HA 0.026 4.691 4.660 0.008 0.000 0.289 4 W C 1.502 178.050 176.519 0.048 0.000 1.215 4 W CA 1.166 58.503 57.345 -0.012 0.000 1.236 4 W CB -1.238 28.198 29.460 -0.039 0.000 1.130 4 W HN 0.222 nan 8.180 nan 0.000 0.541 5 A N 1.585 123.958 122.820 -0.745 0.000 1.930 5 A HA -0.192 4.133 4.320 0.007 0.000 0.217 5 A C 1.823 179.241 177.584 -0.277 0.000 1.175 5 A CA 1.943 53.585 52.037 -0.657 0.000 0.627 5 A CB -0.872 17.557 19.000 -0.952 0.000 0.815 5 A HN 0.142 nan 8.150 nan 0.000 0.443 6 D N -1.512 118.801 120.400 -0.145 0.000 2.117 6 D HA -0.163 4.481 4.640 0.007 0.000 0.197 6 D C 1.666 177.957 176.300 -0.015 0.000 0.987 6 D CA 1.478 55.452 54.000 -0.044 0.000 0.829 6 D CB -0.453 40.395 40.800 0.081 0.000 0.961 6 D HN 0.595 nan 8.370 nan 0.000 0.460 7 Y N 1.082 121.357 120.300 -0.041 0.000 2.128 7 Y HA -0.240 4.315 4.550 0.007 0.000 0.284 7 Y C 2.126 177.962 175.900 -0.108 0.000 1.154 7 Y CA 1.279 59.337 58.100 -0.070 0.000 1.149 7 Y CB -0.169 38.234 38.460 -0.094 0.000 0.976 7 Y HN -0.140 nan 8.280 nan 0.000 0.505 8 I N 0.320 120.900 120.570 0.017 0.000 2.493 8 I HA -0.202 3.973 4.170 0.007 0.000 0.254 8 I C 2.570 178.474 176.117 -0.354 0.000 1.160 8 I CA 1.215 62.407 61.300 -0.180 0.000 1.445 8 I CB -1.392 36.458 38.000 -0.250 0.000 1.086 8 I HN 0.317 nan 8.210 nan 0.000 0.433 9 A N 0.241 122.872 122.820 -0.315 0.000 1.865 9 A HA -0.244 4.080 4.320 0.007 0.000 0.217 9 A C 2.082 179.452 177.584 -0.357 0.000 1.191 9 A CA 2.167 53.994 52.037 -0.350 0.000 0.623 9 A CB -0.817 18.024 19.000 -0.265 0.000 0.826 9 A HN 0.344 nan 8.150 nan 0.000 0.444 10 D N -0.573 119.640 120.400 -0.311 0.000 2.088 10 D HA -0.179 4.466 4.640 0.007 0.000 0.191 10 D C 1.887 177.998 176.300 -0.316 0.000 0.992 10 D CA 1.698 55.518 54.000 -0.300 0.000 0.831 10 D CB -0.423 40.182 40.800 -0.326 0.000 0.973 10 D HN 0.512 nan 8.370 nan 0.000 0.447 11 K N 0.253 120.423 120.400 -0.383 0.000 2.144 11 K HA -0.189 4.136 4.320 0.007 0.000 0.209 11 K C 2.241 178.712 176.600 -0.216 0.000 1.047 11 K CA 1.096 57.207 56.287 -0.294 0.000 0.927 11 K CB -0.234 32.098 32.500 -0.280 0.000 0.716 11 K HN 0.153 nan 8.250 nan 0.000 0.454 12 I N 0.673 121.083 120.570 -0.266 0.000 2.202 12 I HA -0.291 3.884 4.170 0.007 0.000 0.242 12 I C 2.147 178.156 176.117 -0.180 0.000 1.091 12 I CA 0.674 61.841 61.300 -0.223 0.000 1.368 12 I CB -0.268 37.533 38.000 -0.331 0.000 1.058 12 I HN 0.169 nan 8.210 nan 0.000 0.410 13 I N 1.455 121.849 120.570 -0.294 0.000 2.118 13 I HA -0.309 3.866 4.170 0.007 0.000 0.241 13 I C 2.801 178.864 176.117 -0.089 0.000 1.070 13 I CA 1.904 63.061 61.300 -0.237 0.000 1.327 13 I CB -1.297 36.512 38.000 -0.318 0.000 1.034 13 I HN 0.425 nan 8.210 nan 0.000 0.405 14 R N 1.147 121.585 120.500 -0.104 0.000 2.090 14 R HA -0.096 4.248 4.340 0.007 0.000 0.228 14 R C 1.678 177.954 176.300 -0.041 0.000 1.110 14 R CA 1.349 57.411 56.100 -0.063 0.000 0.973 14 R CB -0.521 29.731 30.300 -0.080 0.000 0.869 14 R HN 0.387 nan 8.270 nan 0.000 0.440 15 E N -0.164 120.006 120.200 -0.049 0.000 2.442 15 E HA 0.049 4.403 4.350 0.007 0.000 0.195 15 E C 1.516 178.111 176.600 -0.009 0.000 1.030 15 E CA 0.136 56.520 56.400 -0.027 0.000 0.869 15 E CB 0.408 30.090 29.700 -0.030 0.000 0.857 15 E HN 0.297 nan 8.360 nan 0.000 0.505 16 R N -0.274 120.230 120.500 0.006 0.000 2.316 16 R HA 0.200 4.544 4.340 0.007 0.000 0.201 16 R C 0.651 176.961 176.300 0.017 0.000 0.888 16 R CA 0.696 56.810 56.100 0.022 0.000 1.041 16 R CB 1.061 31.407 30.300 0.076 0.000 1.115 16 R HN 0.115 nan 8.270 nan 0.000 0.559 17 G N 2.409 111.228 108.800 0.031 0.000 2.907 17 G HA2 -0.177 3.787 3.960 0.007 0.000 0.686 17 G HA3 -0.177 3.787 3.960 0.007 0.000 0.686 17 G C -0.878 174.063 174.900 0.068 0.000 1.115 17 G CA -0.827 44.292 45.100 0.031 0.000 0.760 17 G HN 0.139 nan 8.290 nan 0.000 0.620 18 E N 1.920 122.184 120.200 0.108 0.000 2.585 18 E HA 0.140 4.494 4.350 0.007 0.000 0.252 18 E C 0.724 177.403 176.600 0.132 0.000 0.981 18 E CA 0.636 57.168 56.400 0.221 0.000 0.943 18 E CB 0.606 30.461 29.700 0.258 0.000 0.923 18 E HN 0.473 nan 8.360 nan 0.000 0.486 19 K N 2.225 122.669 120.400 0.074 0.000 2.313 19 K HA 0.231 4.555 4.320 0.007 0.000 0.235 19 K C 0.715 177.349 176.600 0.056 0.000 1.035 19 K CA -0.927 55.261 56.287 -0.165 0.000 0.868 19 K CB 1.237 33.310 32.500 -0.713 0.000 1.232 19 K HN 0.222 nan 8.250 nan 0.000 0.459 20 E N 1.073 121.262 120.200 -0.019 0.000 2.057 20 E HA -0.011 4.343 4.350 0.007 0.000 0.190 20 E C -0.144 176.514 176.600 0.095 0.000 0.969 20 E CA 1.115 57.552 56.400 0.062 0.000 0.812 20 E CB 0.326 30.038 29.700 0.020 0.000 0.777 20 E HN 0.273 nan 8.360 nan 0.000 0.455 21 K N 0.100 120.496 120.400 -0.007 0.000 2.426 21 K HA 0.274 4.598 4.320 0.007 0.000 0.254 21 K C -1.561 175.009 176.600 -0.050 0.000 0.936 21 K CA -0.346 55.970 56.287 0.049 0.000 0.801 21 K CB 0.942 33.469 32.500 0.044 0.000 1.139 21 K HN -0.203 nan 8.250 nan 0.000 0.424 22 Y N 1.629 121.955 120.300 0.043 0.000 2.387 22 Y HA 0.401 4.955 4.550 0.007 0.000 0.336 22 Y C -0.300 175.620 175.900 0.035 0.000 1.067 22 Y CA -0.731 57.378 58.100 0.015 0.000 1.114 22 Y CB 2.065 40.504 38.460 -0.034 0.000 1.208 22 Y HN 0.230 nan 8.280 nan 0.000 0.458 23 V N 4.963 124.987 119.914 0.183 0.000 2.378 23 V HA 0.680 4.804 4.120 0.007 0.000 0.288 23 V C -1.209 174.962 176.094 0.129 0.000 1.016 23 V CA -0.506 61.879 62.300 0.142 0.000 0.840 23 V CB 0.879 32.775 31.823 0.121 0.000 0.994 23 V HN 0.584 nan 8.190 nan 0.000 0.431 24 V N 6.105 126.083 119.914 0.106 0.000 2.834 24 V HA 0.679 4.804 4.120 0.007 0.000 0.313 24 V C -0.027 176.073 176.094 0.011 0.000 1.060 24 V CA -0.399 61.931 62.300 0.049 0.000 0.989 24 V CB 1.830 33.639 31.823 -0.022 0.000 1.041 24 V HN 1.029 nan 8.190 nan 0.000 0.459 25 E N 1.367 121.542 120.200 -0.043 0.000 2.392 25 E HA 0.648 5.003 4.350 0.007 0.000 0.279 25 E C -1.495 175.122 176.600 0.029 0.000 0.964 25 E CA -0.438 55.987 56.400 0.041 0.000 0.777 25 E CB 2.440 32.196 29.700 0.095 0.000 1.249 25 E HN 0.821 nan 8.360 nan 0.000 0.449 26 S N 1.161 116.920 115.700 0.099 0.000 2.588 26 S HA 0.942 5.416 4.470 0.007 0.000 0.275 26 S C -0.465 174.039 174.600 -0.160 0.000 1.130 26 S CA -0.282 57.962 58.200 0.074 0.000 0.855 26 S CB 1.896 65.235 63.200 0.231 0.000 1.116 26 S HN 0.720 nan 8.310 nan 0.000 0.472 27 G N 0.358 109.001 108.800 -0.261 0.000 2.698 27 G HA2 0.727 4.692 3.960 0.007 0.000 0.293 27 G HA3 0.727 4.692 3.960 0.007 0.000 0.293 27 G C -1.605 173.044 174.900 -0.418 0.000 1.437 27 G CA -0.841 43.942 45.100 -0.528 0.000 0.852 27 G HN 0.918 nan 8.290 nan 0.000 0.499 28 I N -0.659 119.638 120.570 -0.455 0.000 3.181 28 I HA 0.459 4.633 4.170 0.007 0.000 0.311 28 I C -0.698 175.414 176.117 -0.008 0.000 1.287 28 I CA -0.981 60.184 61.300 -0.225 0.000 0.958 28 I CB 2.746 40.601 38.000 -0.243 0.000 1.294 28 I HN 0.351 nan 8.210 nan 0.000 0.467 29 T N 4.219 118.800 114.554 0.046 0.000 2.821 29 T HA 0.313 4.667 4.350 0.007 0.000 0.307 29 T C -2.378 172.428 174.700 0.178 0.000 1.034 29 T CA -1.077 61.096 62.100 0.120 0.000 0.953 29 T CB 1.021 69.900 68.868 0.018 0.000 0.968 29 T HN 0.357 nan 8.240 nan 0.000 0.462 30 P HA 0.086 nan 4.420 nan 0.000 0.237 30 P C 0.452 177.813 177.300 0.101 0.000 1.701 30 P CA -0.134 63.065 63.100 0.164 0.000 0.955 30 P CB -0.497 31.252 31.700 0.081 0.000 1.937 31 S N -0.414 115.320 115.700 0.057 0.000 2.583 31 S HA 0.548 5.023 4.470 0.007 0.000 0.239 31 S C 0.749 175.260 174.600 -0.148 0.000 0.966 31 S CA -0.097 58.211 58.200 0.180 0.000 0.973 31 S CB 0.104 63.423 63.200 0.197 0.000 0.794 31 S HN 0.424 nan 8.310 nan 0.000 0.463 32 G N 0.103 108.417 108.800 -0.810 0.000 2.317 32 G HA2 0.342 4.307 3.960 0.007 0.000 0.293 32 G HA3 0.342 4.307 3.960 0.007 0.000 0.293 32 G C -1.781 172.278 174.900 -1.402 0.000 1.287 32 G CA -1.105 43.100 45.100 -1.491 0.000 0.850 32 G HN 0.188 nan 8.290 nan 0.000 0.515 33 Y N 0.265 120.156 120.300 -0.682 0.000 2.569 33 Y HA 0.328 4.882 4.550 0.006 0.000 0.332 33 Y C 1.183 177.087 175.900 0.006 0.000 1.120 33 Y CA -0.102 57.979 58.100 -0.032 0.000 1.416 33 Y CB 1.012 39.547 38.460 0.125 0.000 1.210 33 Y HN 0.228 nan 8.280 nan 0.000 0.528 34 V N 5.707 125.724 119.914 0.172 0.000 2.415 34 V HA -0.007 4.118 4.120 0.007 0.000 0.267 34 V C 0.677 176.831 176.094 0.099 0.000 1.042 34 V CA -0.474 61.813 62.300 -0.021 0.000 1.000 34 V CB -1.009 30.535 31.823 -0.464 0.000 1.015 34 V HN 0.761 nan 8.190 nan 0.000 0.478 35 H N 4.969 124.059 119.070 0.033 0.000 2.417 35 H HA 0.338 4.899 4.556 0.008 0.000 0.325 35 H C 1.434 176.835 175.328 0.122 0.000 1.549 35 H CA -0.113 55.978 56.048 0.072 0.000 1.476 35 H CB 0.966 30.754 29.762 0.044 0.000 1.732 35 H HN 0.319 nan 8.280 nan 0.000 0.695 36 V N -2.182 117.830 119.914 0.163 0.000 2.594 36 V HA -0.054 4.071 4.120 0.007 0.000 0.253 36 V C 2.326 178.483 176.094 0.105 0.000 1.069 36 V CA 1.773 64.173 62.300 0.167 0.000 1.082 36 V CB -1.552 30.346 31.823 0.124 0.000 0.680 36 V HN 0.840 nan 8.190 nan 0.000 0.469 37 G N 0.638 109.402 108.800 -0.061 0.000 2.414 37 G HA2 -0.241 3.724 3.960 0.007 0.000 0.215 37 G HA3 -0.241 3.724 3.960 0.007 0.000 0.215 37 G C 1.453 176.228 174.900 -0.208 0.000 1.188 37 G CA 0.960 46.017 45.100 -0.071 0.000 0.783 37 G HN 0.527 nan 8.290 nan 0.000 0.537 38 N N 0.510 118.864 118.700 -0.577 0.000 2.005 38 N HA -0.196 4.549 4.740 0.007 0.000 0.199 38 N C 1.948 177.378 175.510 -0.133 0.000 1.054 38 N CA 1.644 54.493 53.050 -0.335 0.000 0.864 38 N CB -0.735 37.474 38.487 -0.462 0.000 1.063 38 N HN 0.293 nan 8.380 nan 0.000 0.428 39 F N 2.386 122.279 119.950 -0.096 0.000 2.176 39 F HA -0.220 4.311 4.527 0.007 0.000 0.301 39 F C 2.525 178.295 175.800 -0.049 0.000 1.071 39 F CA 1.534 59.587 58.000 0.087 0.000 1.289 39 F CB -0.316 38.747 39.000 0.106 0.000 1.028 39 F HN -0.008 nan 8.300 nan 0.000 0.494 40 R N 0.404 120.726 120.500 -0.296 0.000 2.127 40 R HA -0.234 4.111 4.340 0.007 0.000 0.238 40 R C 2.344 178.224 176.300 -0.699 0.000 1.134 40 R CA 1.758 57.613 56.100 -0.408 0.000 0.975 40 R CB -0.435 29.718 30.300 -0.246 0.000 0.865 40 R HN 0.621 nan 8.270 nan 0.000 0.447 41 E N 0.252 119.957 120.200 -0.825 0.000 2.031 41 E HA -0.224 4.131 4.350 0.007 0.000 0.193 41 E C 1.941 178.411 176.600 -0.218 0.000 0.994 41 E CA 1.344 57.407 56.400 -0.561 0.000 0.800 41 E CB -0.201 29.419 29.700 -0.134 0.000 0.752 41 E HN 0.278 nan 8.360 nan 0.000 0.447 42 L N 0.618 121.751 121.223 -0.149 0.000 2.042 42 L HA -0.141 4.203 4.340 0.007 0.000 0.210 42 L C 2.089 178.918 176.870 -0.068 0.000 1.076 42 L CA 1.922 56.765 54.840 0.005 0.000 0.749 42 L CB -1.221 40.858 42.059 0.033 0.000 0.893 42 L HN 0.318 nan 8.230 nan 0.000 0.432 43 F N 0.669 120.278 119.950 -0.570 0.000 2.102 43 F HA -0.192 4.340 4.527 0.008 0.000 0.298 43 F C 2.278 178.086 175.800 0.013 0.000 1.105 43 F CA 2.220 59.987 58.000 -0.388 0.000 1.239 43 F CB -0.700 37.816 39.000 -0.807 0.000 0.991 43 F HN 0.136 nan 8.300 nan 0.000 0.474 44 T N 0.510 115.113 114.554 0.082 0.000 2.788 44 T HA -0.174 4.180 4.350 0.007 0.000 0.268 44 T C 2.181 176.948 174.700 0.111 0.000 1.044 44 T CA 1.260 63.499 62.100 0.231 0.000 1.139 44 T CB -0.760 68.277 68.868 0.283 0.000 0.867 44 T HN 0.378 nan 8.240 nan 0.000 0.454 45 A N 0.779 123.575 122.820 -0.040 0.000 1.898 45 A HA -0.082 4.242 4.320 0.007 0.000 0.216 45 A C 2.095 179.510 177.584 -0.282 0.000 1.181 45 A CA 1.612 53.531 52.037 -0.197 0.000 0.620 45 A CB -0.975 17.713 19.000 -0.519 0.000 0.819 45 A HN 0.637 nan 8.150 nan 0.000 0.442 46 Y N -0.080 120.039 120.300 -0.302 0.000 2.145 46 Y HA -0.122 4.432 4.550 0.008 0.000 0.286 46 Y C 1.927 177.666 175.900 -0.268 0.000 1.145 46 Y CA 1.710 59.700 58.100 -0.183 0.000 1.148 46 Y CB -0.285 38.069 38.460 -0.177 0.000 0.981 46 Y HN 0.263 nan 8.280 nan 0.000 0.507 47 I N -0.816 119.143 120.570 -1.017 0.000 2.439 47 I HA -0.188 3.986 4.170 0.007 0.000 0.251 47 I C 1.833 177.585 176.117 -0.609 0.000 1.139 47 I CA 0.887 61.555 61.300 -1.053 0.000 1.438 47 I CB -0.094 37.391 38.000 -0.858 0.000 1.085 47 I HN 0.202 nan 8.210 nan 0.000 0.427 48 V N 0.839 120.528 119.914 -0.375 0.000 2.453 48 V HA -0.137 3.987 4.120 0.007 0.000 0.247 48 V C 2.539 178.477 176.094 -0.260 0.000 1.048 48 V CA 1.843 63.968 62.300 -0.292 0.000 1.049 48 V CB -1.202 30.511 31.823 -0.182 0.000 0.672 48 V HN 0.586 nan 8.190 nan 0.000 0.457 49 G N -0.731 107.941 108.800 -0.213 0.000 2.421 49 G HA2 -0.330 3.634 3.960 0.007 0.000 0.216 49 G HA3 -0.330 3.634 3.960 0.007 0.000 0.216 49 G C 1.573 176.379 174.900 -0.156 0.000 1.171 49 G CA 1.049 46.062 45.100 -0.145 0.000 0.775 49 G HN 0.562 nan 8.290 nan 0.000 0.543 50 H N 1.587 120.428 119.070 -0.383 0.000 2.387 50 H HA -0.042 4.518 4.556 0.007 0.000 0.299 50 H C 2.672 177.835 175.328 -0.275 0.000 1.099 50 H CA 1.734 57.567 56.048 -0.358 0.000 1.315 50 H CB -0.357 29.026 29.762 -0.632 0.000 1.380 50 H HN 0.294 nan 8.280 nan 0.000 0.513 51 A N 1.150 123.913 122.820 -0.095 0.000 1.902 51 A HA -0.087 4.237 4.320 0.007 0.000 0.217 51 A C 2.969 180.474 177.584 -0.132 0.000 1.181 51 A CA 1.224 53.192 52.037 -0.115 0.000 0.623 51 A CB -0.849 18.014 19.000 -0.229 0.000 0.818 51 A HN 0.420 nan 8.150 nan 0.000 0.443 52 L N -0.939 120.174 121.223 -0.182 0.000 2.012 52 L HA -0.246 4.099 4.340 0.007 0.000 0.210 52 L C 2.891 179.743 176.870 -0.029 0.000 1.073 52 L CA 1.841 56.568 54.840 -0.189 0.000 0.748 52 L CB -0.546 41.336 42.059 -0.296 0.000 0.891 52 L HN 0.367 nan 8.230 nan 0.000 0.431 53 R N -0.036 120.429 120.500 -0.059 0.000 2.091 53 R HA -0.178 4.166 4.340 0.007 0.000 0.238 53 R C 1.781 178.046 176.300 -0.059 0.000 1.136 53 R CA 1.598 57.670 56.100 -0.046 0.000 0.959 53 R CB -0.587 29.638 30.300 -0.125 0.000 0.856 53 R HN 0.316 nan 8.270 nan 0.000 0.437 54 D N 0.376 120.722 120.400 -0.091 0.000 2.315 54 D HA -0.127 4.517 4.640 0.007 0.000 0.211 54 D C 1.402 177.687 176.300 -0.025 0.000 0.977 54 D CA 1.089 55.052 54.000 -0.063 0.000 0.894 54 D CB 0.074 40.855 40.800 -0.032 0.000 0.910 54 D HN 0.085 nan 8.370 nan 0.000 0.490 55 K N -1.311 119.100 120.400 0.019 0.000 2.284 55 K HA 0.234 4.559 4.320 0.007 0.000 0.198 55 K C 1.605 178.190 176.600 -0.024 0.000 1.048 55 K CA 0.900 57.230 56.287 0.070 0.000 0.987 55 K CB 1.199 33.839 32.500 0.234 0.000 0.800 55 K HN 0.238 nan 8.250 nan 0.000 0.486 56 G N -0.102 108.674 108.800 -0.040 0.000 3.465 56 G HA2 -0.193 3.771 3.960 0.007 0.000 0.196 56 G HA3 -0.193 3.771 3.960 0.007 0.000 0.196 56 G C -0.122 174.683 174.900 -0.158 0.000 1.170 56 G CA -0.483 44.504 45.100 -0.188 0.000 0.887 56 G HN 0.093 nan 8.290 nan 0.000 0.444 57 Y N 1.898 122.194 120.300 -0.006 0.000 2.554 57 Y HA 0.451 5.005 4.550 0.008 0.000 0.353 57 Y C 1.124 177.053 175.900 0.047 0.000 1.269 57 Y CA 0.769 58.906 58.100 0.062 0.000 1.494 57 Y CB 0.267 38.805 38.460 0.129 0.000 1.365 57 Y HN 0.383 nan 8.280 nan 0.000 0.664 58 E N -0.311 120.048 120.200 0.265 0.000 2.232 58 E HA 0.717 5.071 4.350 0.007 0.000 0.265 58 E C -1.614 175.102 176.600 0.194 0.000 1.001 58 E CA -0.747 55.749 56.400 0.160 0.000 0.870 58 E CB 1.507 31.275 29.700 0.114 0.000 1.175 58 E HN 0.381 nan 8.360 nan 0.000 0.407 59 V N 1.814 121.806 119.914 0.129 0.000 2.971 59 V HA 0.424 4.548 4.120 0.007 0.000 0.309 59 V C -1.065 175.103 176.094 0.123 0.000 1.130 59 V CA -0.880 61.501 62.300 0.135 0.000 0.964 59 V CB 2.015 33.890 31.823 0.086 0.000 1.029 59 V HN 0.638 nan 8.190 nan 0.000 0.427 60 R N 1.948 122.530 120.500 0.137 0.000 2.494 60 R HA 0.341 4.686 4.340 0.007 0.000 0.284 60 R C -0.467 175.938 176.300 0.175 0.000 1.525 60 R CA -0.334 55.846 56.100 0.134 0.000 1.460 60 R CB -0.004 30.364 30.300 0.114 0.000 1.134 60 R HN 0.912 nan 8.270 nan 0.000 0.592 61 H N 4.354 123.462 119.070 0.063 0.000 2.955 61 H HA 0.262 4.822 4.556 0.007 0.000 0.290 61 H C -0.515 174.836 175.328 0.037 0.000 1.047 61 H CA -0.255 55.828 56.048 0.060 0.000 1.484 61 H CB 0.560 30.368 29.762 0.076 0.000 1.501 61 H HN 0.488 nan 8.280 nan 0.000 0.521 62 I N 4.944 125.719 120.570 0.342 0.000 2.404 62 I HA 0.086 4.260 4.170 0.007 0.000 0.293 62 I C -0.523 175.666 176.117 0.119 0.000 0.992 62 I CA -0.684 60.671 61.300 0.092 0.000 1.149 62 I CB 1.546 39.493 38.000 -0.089 0.000 1.315 62 I HN 0.689 nan 8.210 nan 0.000 0.446 63 H N 6.536 125.519 119.070 -0.146 0.000 2.718 63 H HA 0.432 4.992 4.556 0.007 0.000 0.295 63 H C -0.700 174.422 175.328 -0.344 0.000 1.051 63 H CA -0.835 55.071 56.048 -0.238 0.000 1.260 63 H CB 1.050 30.609 29.762 -0.337 0.000 1.403 63 H HN 0.470 nan 8.280 nan 0.000 0.488 64 M N 5.238 124.475 119.600 -0.605 0.000 2.162 64 M HA 0.208 4.692 4.480 0.007 0.000 0.356 64 M C -1.460 174.505 176.300 -0.559 0.000 1.303 64 M CA -0.031 55.014 55.300 -0.426 0.000 1.116 64 M CB 0.069 32.547 32.600 -0.203 0.000 1.632 64 M HN 0.639 nan 8.290 nan 0.000 0.469 65 W N 5.077 126.216 121.300 -0.268 0.000 2.314 65 W HA 0.307 4.971 4.660 0.007 0.000 0.310 65 W C -0.184 176.333 176.519 -0.004 0.000 1.075 65 W CA -0.634 56.609 57.345 -0.169 0.000 1.253 65 W CB 0.914 30.247 29.460 -0.212 0.000 1.238 65 W HN 0.526 nan 8.180 nan 0.000 0.440 66 D N 3.520 124.074 120.400 0.257 0.000 2.631 66 D HA -0.030 4.614 4.640 0.007 0.000 0.227 66 D C 0.590 177.056 176.300 0.277 0.000 1.146 66 D CA 0.351 54.486 54.000 0.226 0.000 1.009 66 D CB 0.227 41.081 40.800 0.090 0.000 1.057 66 D HN 0.561 nan 8.370 nan 0.000 0.509 67 D N -1.051 119.549 120.400 0.334 0.000 2.350 67 D HA -0.168 4.477 4.640 0.007 0.000 0.213 67 D C 1.236 177.745 176.300 0.349 0.000 1.031 67 D CA 0.027 54.210 54.000 0.306 0.000 0.861 67 D CB -0.112 40.858 40.800 0.284 0.000 0.926 67 D HN 0.184 nan 8.370 nan 0.000 0.520 68 Y N 1.440 121.842 120.300 0.170 0.000 2.490 68 Y HA 0.188 4.743 4.550 0.007 0.000 0.281 68 Y C 0.334 176.334 175.900 0.168 0.000 1.174 68 Y CA -1.033 57.151 58.100 0.141 0.000 1.295 68 Y CB -0.423 38.072 38.460 0.058 0.000 1.062 68 Y HN -0.059 nan 8.280 nan 0.000 0.522 69 D N 0.707 121.254 120.400 0.245 0.000 2.363 69 D HA 0.049 4.694 4.640 0.007 0.000 0.240 69 D C 0.016 176.416 176.300 0.167 0.000 1.236 69 D CA 0.003 54.098 54.000 0.159 0.000 0.927 69 D CB 0.750 41.619 40.800 0.114 0.000 1.150 69 D HN 0.114 nan 8.370 nan 0.000 0.458 70 R N 0.621 121.209 120.500 0.146 0.000 2.357 70 R HA 0.122 4.467 4.340 0.007 0.000 0.296 70 R C 0.072 176.473 176.300 0.168 0.000 1.052 70 R CA -0.618 55.571 56.100 0.148 0.000 0.988 70 R CB 0.512 30.890 30.300 0.130 0.000 1.025 70 R HN 0.309 nan 8.270 nan 0.000 0.469 71 F N 4.400 124.362 119.950 0.021 0.000 2.650 71 F HA 0.042 4.573 4.527 0.006 0.000 0.338 71 F C 1.042 176.844 175.800 0.004 0.000 1.311 71 F CA -0.104 57.896 58.000 0.001 0.000 1.106 71 F CB -0.215 38.765 39.000 -0.033 0.000 1.500 71 F HN 0.447 nan 8.300 nan 0.000 0.670 72 R N 2.261 122.641 120.500 -0.201 0.000 2.092 72 R HA 0.011 4.356 4.340 0.007 0.000 0.231 72 R C 0.159 176.234 176.300 -0.374 0.000 1.119 72 R CA 1.118 57.087 56.100 -0.219 0.000 0.970 72 R CB 0.151 30.387 30.300 -0.106 0.000 0.864 72 R HN 0.407 nan 8.270 nan 0.000 0.440 73 K N -0.366 119.700 120.400 -0.557 0.000 2.533 73 K HA 0.258 4.583 4.320 0.007 0.000 0.272 73 K C -1.224 175.015 176.600 -0.601 0.000 0.985 73 K CA -0.706 55.295 56.287 -0.477 0.000 0.876 73 K CB 2.841 35.212 32.500 -0.214 0.000 1.452 73 K HN -0.163 nan 8.250 nan 0.000 0.439 74 V N -0.245 119.495 119.914 -0.291 0.000 2.277 74 V HA 0.370 4.495 4.120 0.007 0.000 0.269 74 V C -2.448 173.675 176.094 0.049 0.000 1.036 74 V CA -2.000 60.277 62.300 -0.040 0.000 0.821 74 V CB -0.101 31.781 31.823 0.097 0.000 1.052 74 V HN 0.530 nan 8.190 nan 0.000 0.462 75 P HA 0.109 nan 4.420 nan 0.000 0.269 75 P C -0.196 177.186 177.300 0.136 0.000 1.205 75 P CA -0.030 63.136 63.100 0.111 0.000 0.780 75 P CB 0.336 32.119 31.700 0.138 0.000 0.858 76 R N 2.827 123.395 120.500 0.114 0.000 3.247 76 R HA 0.178 4.522 4.340 0.007 0.000 0.212 76 R C 0.900 177.303 176.300 0.171 0.000 1.604 76 R CA 0.416 56.586 56.100 0.116 0.000 1.279 76 R CB -1.155 29.192 30.300 0.078 0.000 1.277 76 R HN 0.427 nan 8.270 nan 0.000 0.669 77 N N -0.809 118.030 118.700 0.232 0.000 2.408 77 N HA -0.068 4.677 4.740 0.007 0.000 0.332 77 N C -0.877 174.896 175.510 0.438 0.000 0.852 77 N CA 0.299 53.554 53.050 0.341 0.000 0.870 77 N CB 0.581 39.339 38.487 0.452 0.000 2.360 77 N HN 0.098 nan 8.380 nan 0.000 1.062 78 V N 3.443 123.551 119.914 0.323 0.000 2.607 78 V HA 0.455 4.580 4.120 0.007 0.000 0.289 78 V C -1.943 174.078 176.094 -0.122 0.000 1.053 78 V CA -1.045 61.295 62.300 0.068 0.000 0.996 78 V CB 1.029 32.938 31.823 0.143 0.000 0.995 78 V HN 0.071 nan 8.190 nan 0.000 0.476 79 P HA -0.050 nan 4.420 nan 0.000 0.263 79 P C 0.713 178.010 177.300 -0.006 0.000 1.168 79 P CA 0.350 63.294 63.100 -0.260 0.000 0.759 79 P CB 0.324 31.712 31.700 -0.519 0.000 0.782 80 Q N 3.868 123.722 119.800 0.090 0.000 2.002 80 Q HA -0.241 4.104 4.340 0.007 0.000 0.204 80 Q C 0.944 177.066 176.000 0.203 0.000 0.988 80 Q CA 1.633 57.514 55.803 0.130 0.000 0.843 80 Q CB -0.730 28.065 28.738 0.095 0.000 0.908 80 Q HN 0.613 nan 8.270 nan 0.000 0.420 81 E N -0.487 119.855 120.200 0.237 0.000 2.352 81 E HA -0.085 4.270 4.350 0.007 0.000 0.197 81 E C -0.612 176.160 176.600 0.287 0.000 1.224 81 E CA -0.298 56.228 56.400 0.211 0.000 1.118 81 E CB -0.353 29.426 29.700 0.131 0.000 1.198 81 E HN 0.450 nan 8.360 nan 0.000 0.454 82 W N 1.497 122.866 121.300 0.115 0.000 2.676 82 W HA 0.303 4.966 4.660 0.004 0.000 0.430 82 W C 0.459 177.151 176.519 0.287 0.000 0.690 82 W CA -0.657 56.833 57.345 0.241 0.000 2.297 82 W CB 0.445 30.013 29.460 0.180 0.000 1.361 82 W HN 0.088 nan 8.180 nan 0.000 0.800 83 K N -0.653 119.900 120.400 0.254 0.000 2.356 83 K HA -0.013 4.312 4.320 0.007 0.000 0.195 83 K C 1.339 177.979 176.600 0.067 0.000 1.037 83 K CA 0.597 56.977 56.287 0.155 0.000 1.014 83 K CB 0.324 32.868 32.500 0.073 0.000 0.815 83 K HN -0.018 nan 8.250 nan 0.000 0.507 84 D N 0.597 120.946 120.400 -0.085 0.000 2.117 84 D HA -0.145 4.500 4.640 0.007 0.000 0.198 84 D C 1.226 177.346 176.300 -0.300 0.000 0.982 84 D CA 1.353 55.174 54.000 -0.298 0.000 0.828 84 D CB -0.106 40.324 40.800 -0.616 0.000 0.967 84 D HN 0.306 nan 8.370 nan 0.000 0.464 85 Y N 0.866 121.149 120.300 -0.029 0.000 2.632 85 Y HA 0.097 4.651 4.550 0.006 0.000 0.301 85 Y C 1.080 177.120 175.900 0.233 0.000 1.172 85 Y CA -0.250 57.839 58.100 -0.018 0.000 1.328 85 Y CB -0.430 37.899 38.460 -0.218 0.000 1.016 85 Y HN -0.152 nan 8.280 nan 0.000 0.529 86 L N 0.251 121.700 121.223 0.376 0.000 2.455 86 L HA 0.207 4.552 4.340 0.007 0.000 0.272 86 L C 1.382 178.351 176.870 0.166 0.000 1.174 86 L CA 0.933 55.950 54.840 0.295 0.000 0.869 86 L CB 0.391 42.510 42.059 0.099 0.000 1.130 86 L HN 0.518 nan 8.230 nan 0.000 0.474 87 G N 2.589 111.480 108.800 0.152 0.000 2.213 87 G HA2 -0.220 3.745 3.960 0.007 0.000 0.226 87 G HA3 -0.220 3.745 3.960 0.007 0.000 0.226 87 G C 0.065 174.999 174.900 0.057 0.000 0.992 87 G CA 0.148 45.306 45.100 0.097 0.000 0.632 87 G HN 0.539 nan 8.290 nan 0.000 0.511 88 M N -0.569 119.053 119.600 0.038 0.000 2.613 88 M HA 0.718 5.203 4.480 0.007 0.000 0.301 88 M C -2.863 173.331 176.300 -0.177 0.000 1.205 88 M CA -2.290 52.916 55.300 -0.156 0.000 0.950 88 M CB 0.581 33.129 32.600 -0.086 0.000 1.585 88 M HN -0.135 nan 8.290 nan 0.000 0.490 89 P HA 0.148 nan 4.420 nan 0.000 0.268 89 P C 0.243 177.572 177.300 0.049 0.000 1.205 89 P CA 0.182 63.205 63.100 -0.128 0.000 0.771 89 P CB 0.400 32.071 31.700 -0.048 0.000 0.858 90 I N 1.341 122.009 120.570 0.163 0.000 2.756 90 I HA -0.215 3.959 4.170 0.007 0.000 0.262 90 I C 1.824 178.044 176.117 0.172 0.000 1.225 90 I CA 1.535 62.961 61.300 0.209 0.000 1.472 90 I CB -0.555 37.646 38.000 0.334 0.000 1.094 90 I HN 0.375 nan 8.210 nan 0.000 0.454 91 S N -0.300 115.493 115.700 0.155 0.000 2.501 91 S HA 0.033 4.508 4.470 0.007 0.000 0.220 91 S C 1.648 176.283 174.600 0.058 0.000 0.997 91 S CA 0.140 58.404 58.200 0.108 0.000 0.919 91 S CB 0.011 63.278 63.200 0.112 0.000 0.778 91 S HN 0.369 nan 8.310 nan 0.000 0.523 92 E N 2.076 122.300 120.200 0.041 0.000 2.099 92 E HA 0.124 4.478 4.350 0.007 0.000 0.191 92 E C 1.295 177.885 176.600 -0.017 0.000 0.962 92 E CA 0.659 57.063 56.400 0.006 0.000 0.826 92 E CB -1.007 28.682 29.700 -0.020 0.000 0.788 92 E HN 0.580 nan 8.360 nan 0.000 0.461 93 V N 2.031 121.917 119.914 -0.047 0.000 2.953 93 V HA 0.026 4.150 4.120 0.007 0.000 0.304 93 V C -2.149 173.869 176.094 -0.127 0.000 1.138 93 V CA -1.053 61.159 62.300 -0.147 0.000 1.266 93 V CB -0.528 31.077 31.823 -0.362 0.000 0.923 93 V HN -0.019 nan 8.190 nan 0.000 0.505 94 P HA 0.218 nan 4.420 nan 0.000 0.281 94 P C -0.893 176.465 177.300 0.097 0.000 1.249 94 P CA -0.245 62.800 63.100 -0.091 0.000 0.810 94 P CB 0.996 32.550 31.700 -0.244 0.000 1.008 95 D N 2.876 123.308 120.400 0.053 0.000 2.339 95 D HA 0.123 4.768 4.640 0.007 0.000 0.256 95 D C -1.646 174.518 176.300 -0.226 0.000 1.214 95 D CA -2.217 51.753 54.000 -0.051 0.000 0.877 95 D CB 0.270 41.060 40.800 -0.017 0.000 1.111 95 D HN 0.087 nan 8.370 nan 0.000 0.478 96 P HA -0.007 nan 4.420 nan 0.000 0.240 96 P C 0.176 176.728 177.300 -1.247 0.000 1.186 96 P CA 0.642 62.878 63.100 -1.440 0.000 0.755 96 P CB -0.002 30.331 31.700 -2.278 0.000 0.870 97 W N -2.793 118.323 121.300 -0.308 0.000 2.199 97 W HA 0.312 4.976 4.660 0.007 0.000 0.264 97 W C 1.408 177.865 176.519 -0.104 0.000 0.923 97 W CA 0.533 57.752 57.345 -0.209 0.000 1.221 97 W CB -0.169 29.111 29.460 -0.300 0.000 0.974 97 W HN 0.130 nan 8.180 nan 0.000 0.562 98 G N 1.292 110.134 108.800 0.069 0.000 2.363 98 G HA2 -0.474 3.491 3.960 0.007 0.000 0.238 98 G HA3 -0.474 3.491 3.960 0.007 0.000 0.238 98 G C 1.181 176.130 174.900 0.080 0.000 1.062 98 G CA 0.977 46.116 45.100 0.064 0.000 0.629 98 G HN 0.238 nan 8.290 nan 0.000 0.514 99 C N -0.358 119.026 119.300 0.140 0.000 2.382 99 C HA 0.173 4.638 4.460 0.007 0.000 0.274 99 C C 1.395 176.449 174.990 0.105 0.000 1.180 99 C CA 1.540 60.656 59.018 0.164 0.000 1.799 99 C CB -1.400 26.517 27.740 0.295 0.000 2.094 99 C HN 0.688 nan 8.230 nan 0.000 0.468 100 H N -1.461 117.635 119.070 0.044 0.000 2.907 100 H HA 0.386 4.946 4.556 0.007 0.000 0.361 100 H C 0.744 176.071 175.328 -0.002 0.000 1.194 100 H CA -0.611 55.445 56.048 0.012 0.000 1.152 100 H CB 0.941 30.708 29.762 0.008 0.000 1.867 100 H HN 0.114 nan 8.280 nan 0.000 0.561 101 E N 0.396 120.654 120.200 0.097 0.000 2.007 101 E HA -0.100 4.254 4.350 0.007 0.000 0.203 101 E C 0.147 176.774 176.600 0.045 0.000 1.020 101 E CA 1.677 58.101 56.400 0.040 0.000 0.845 101 E CB 0.016 29.724 29.700 0.013 0.000 0.779 101 E HN 0.557 nan 8.360 nan 0.000 0.466 102 S N -1.069 114.663 115.700 0.053 0.000 2.651 102 S HA 0.137 4.612 4.470 0.007 0.000 0.291 102 S C 0.522 175.179 174.600 0.094 0.000 1.141 102 S CA -0.780 57.454 58.200 0.057 0.000 1.027 102 S CB 1.029 64.257 63.200 0.047 0.000 1.043 102 S HN 0.317 nan 8.310 nan 0.000 0.530 103 Y N 1.593 121.870 120.300 -0.039 0.000 2.256 103 Y HA -0.104 4.451 4.550 0.007 0.000 0.288 103 Y C 2.303 178.291 175.900 0.146 0.000 1.155 103 Y CA 1.866 59.961 58.100 -0.009 0.000 1.203 103 Y CB -0.810 37.582 38.460 -0.114 0.000 0.980 103 Y HN 0.840 nan 8.280 nan 0.000 0.530 104 A N -0.033 122.898 122.820 0.184 0.000 1.872 104 A HA -0.163 4.162 4.320 0.007 0.000 0.214 104 A C 2.199 179.760 177.584 -0.039 0.000 1.187 104 A CA 1.473 53.574 52.037 0.108 0.000 0.614 104 A CB -0.846 18.237 19.000 0.138 0.000 0.826 104 A HN 0.580 nan 8.150 nan 0.000 0.442 105 E N -1.050 119.120 120.200 -0.051 0.000 2.160 105 E HA -0.299 4.056 4.350 0.007 0.000 0.195 105 E C 1.761 178.178 176.600 -0.304 0.000 0.991 105 E CA 1.414 57.732 56.400 -0.137 0.000 0.810 105 E CB -0.197 29.489 29.700 -0.024 0.000 0.742 105 E HN 0.807 nan 8.360 nan 0.000 0.466 106 H N -0.368 118.472 119.070 -0.384 0.000 2.253 106 H HA -0.180 4.380 4.556 0.008 0.000 0.296 106 H C 1.638 176.578 175.328 -0.646 0.000 1.067 106 H CA 2.564 58.244 56.048 -0.614 0.000 1.245 106 H CB -0.643 28.703 29.762 -0.693 0.000 1.364 106 H HN 0.163 nan 8.280 nan 0.000 0.494 107 F N -0.179 119.497 119.950 -0.457 0.000 2.216 107 F HA -0.162 4.369 4.527 0.006 0.000 0.300 107 F C 2.790 178.408 175.800 -0.304 0.000 1.085 107 F CA 1.058 58.790 58.000 -0.447 0.000 1.326 107 F CB -0.372 38.399 39.000 -0.381 0.000 1.027 107 F HN 0.205 nan 8.300 nan 0.000 0.497 108 M N -0.494 118.962 119.600 -0.240 0.000 2.117 108 M HA -0.181 4.303 4.480 0.007 0.000 0.262 108 M C 2.240 178.427 176.300 -0.190 0.000 1.065 108 M CA 1.461 56.486 55.300 -0.459 0.000 1.114 108 M CB -0.377 31.758 32.600 -0.775 0.000 1.361 108 M HN -0.030 nan 8.290 nan 0.000 0.408 109 R N 0.656 120.994 120.500 -0.270 0.000 2.148 109 R HA -0.037 4.308 4.340 0.007 0.000 0.227 109 R C 1.918 178.145 176.300 -0.122 0.000 1.103 109 R CA 1.086 57.062 56.100 -0.205 0.000 0.983 109 R CB -0.544 29.508 30.300 -0.413 0.000 0.874 109 R HN 0.484 nan 8.270 nan 0.000 0.451 110 K N -0.481 119.830 120.400 -0.148 0.000 2.031 110 K HA -0.081 4.243 4.320 0.007 0.000 0.205 110 K C 1.946 178.597 176.600 0.086 0.000 1.049 110 K CA 1.042 57.298 56.287 -0.051 0.000 0.939 110 K CB -0.245 32.222 32.500 -0.056 0.000 0.717 110 K HN 0.010 nan 8.250 nan 0.000 0.438 111 F N 2.786 122.759 119.950 0.037 0.000 2.113 111 F HA -0.156 4.375 4.527 0.007 0.000 0.297 111 F C 1.855 177.716 175.800 0.102 0.000 1.103 111 F CA 1.555 59.620 58.000 0.108 0.000 1.248 111 F CB -0.072 39.090 39.000 0.269 0.000 0.999 111 F HN 0.029 nan 8.300 nan 0.000 0.475 112 E N -0.276 120.014 120.200 0.151 0.000 2.085 112 E HA -0.268 4.087 4.350 0.007 0.000 0.194 112 E C 2.050 178.613 176.600 -0.061 0.000 0.994 112 E CA 1.566 57.996 56.400 0.051 0.000 0.801 112 E CB -0.231 29.561 29.700 0.153 0.000 0.743 112 E HN 0.352 nan 8.360 nan 0.000 0.453 113 E N 1.046 121.226 120.200 -0.033 0.000 2.031 113 E HA -0.181 4.173 4.350 0.007 0.000 0.193 113 E C 1.790 178.351 176.600 -0.065 0.000 0.994 113 E CA 1.212 57.589 56.400 -0.038 0.000 0.800 113 E CB -0.015 29.675 29.700 -0.017 0.000 0.752 113 E HN 0.235 nan 8.360 nan 0.000 0.447 114 E N -0.555 119.601 120.200 -0.074 0.000 2.130 114 E HA -0.193 4.161 4.350 0.007 0.000 0.196 114 E C 1.984 178.498 176.600 -0.143 0.000 0.998 114 E CA 1.345 57.721 56.400 -0.041 0.000 0.806 114 E CB -0.017 29.600 29.700 -0.139 0.000 0.738 114 E HN 0.116 nan 8.360 nan 0.000 0.459 115 V N 0.848 120.557 119.914 -0.341 0.000 2.591 115 V HA -0.178 3.947 4.120 0.007 0.000 0.249 115 V C 2.175 178.148 176.094 -0.200 0.000 1.053 115 V CA 1.421 63.508 62.300 -0.355 0.000 1.068 115 V CB -0.266 31.274 31.823 -0.471 0.000 0.689 115 V HN 0.239 nan 8.190 nan 0.000 0.462 116 E N 0.280 120.390 120.200 -0.150 0.000 2.110 116 E HA -0.222 4.132 4.350 0.007 0.000 0.193 116 E C 2.131 178.660 176.600 -0.117 0.000 0.988 116 E CA 0.941 57.278 56.400 -0.106 0.000 0.804 116 E CB 0.097 29.754 29.700 -0.071 0.000 0.745 116 E HN 0.462 nan 8.360 nan 0.000 0.458 117 K N 0.180 120.493 120.400 -0.145 0.000 2.209 117 K HA -0.126 4.199 4.320 0.007 0.000 0.204 117 K C 2.109 178.576 176.600 -0.222 0.000 1.048 117 K CA 0.728 56.883 56.287 -0.219 0.000 0.940 117 K CB -0.141 32.123 32.500 -0.394 0.000 0.729 117 K HN 0.313 nan 8.250 nan 0.000 0.451 118 L N -0.097 121.017 121.223 -0.180 0.000 2.313 118 L HA 0.021 4.365 4.340 0.007 0.000 0.214 118 L C 1.152 177.954 176.870 -0.113 0.000 1.119 118 L CA 0.686 55.442 54.840 -0.140 0.000 0.809 118 L CB -0.457 41.525 42.059 -0.128 0.000 0.933 118 L HN 0.394 nan 8.230 nan 0.000 0.449 119 G N 0.800 109.532 108.800 -0.113 0.000 2.149 119 G HA2 -0.226 3.738 3.960 0.007 0.000 0.235 119 G HA3 -0.226 3.738 3.960 0.007 0.000 0.235 119 G C 0.098 174.933 174.900 -0.110 0.000 1.018 119 G CA -0.405 44.644 45.100 -0.086 0.000 0.728 119 G HN 0.138 nan 8.290 nan 0.000 0.508 120 I N 1.044 121.520 120.570 -0.157 0.000 2.325 120 I HA 0.281 4.455 4.170 0.007 0.000 0.291 120 I C 0.503 176.552 176.117 -0.113 0.000 1.019 120 I CA -0.359 60.813 61.300 -0.213 0.000 1.302 120 I CB 0.974 38.818 38.000 -0.260 0.000 1.401 120 I HN 0.209 nan 8.210 nan 0.000 0.485 121 E N 5.594 125.766 120.200 -0.046 0.000 2.115 121 E HA 0.548 4.902 4.350 0.007 0.000 0.282 121 E C -1.090 175.484 176.600 -0.044 0.000 0.987 121 E CA -0.404 55.981 56.400 -0.024 0.000 0.797 121 E CB 2.034 31.745 29.700 0.017 0.000 1.086 121 E HN 0.281 nan 8.360 nan 0.000 0.397 122 V N 3.453 123.301 119.914 -0.111 0.000 2.711 122 V HA 0.069 4.194 4.120 0.007 0.000 0.304 122 V C -0.798 175.231 176.094 -0.109 0.000 1.097 122 V CA -1.135 61.034 62.300 -0.219 0.000 0.906 122 V CB 2.152 33.626 31.823 -0.583 0.000 1.015 122 V HN 0.664 nan 8.190 nan 0.000 0.427 123 D N 5.070 125.440 120.400 -0.050 0.000 2.363 123 D HA 0.240 4.885 4.640 0.007 0.000 0.263 123 D C 0.014 176.319 176.300 0.009 0.000 1.258 123 D CA 0.374 54.379 54.000 0.008 0.000 0.907 123 D CB 1.216 42.035 40.800 0.032 0.000 1.107 123 D HN 0.310 nan 8.370 nan 0.000 0.495 124 L N 2.635 123.895 121.223 0.062 0.000 2.418 124 L HA 0.466 4.811 4.340 0.007 0.000 0.265 124 L C 0.324 177.229 176.870 0.057 0.000 1.143 124 L CA -0.487 54.400 54.840 0.078 0.000 0.809 124 L CB 0.576 42.753 42.059 0.197 0.000 1.124 124 L HN 0.137 nan 8.230 nan 0.000 0.456 125 L N 1.411 122.599 121.223 -0.059 0.000 2.506 125 L HA 0.484 4.828 4.340 0.007 0.000 0.257 125 L C -1.569 175.246 176.870 -0.092 0.000 0.964 125 L CA -0.821 54.039 54.840 0.032 0.000 0.836 125 L CB 2.105 44.179 42.059 0.025 0.000 1.384 125 L HN 0.331 nan 8.230 nan 0.000 0.410 126 Y N -0.433 120.018 120.300 0.251 0.000 2.485 126 Y HA 0.537 5.091 4.550 0.007 0.000 0.345 126 Y C 0.676 176.709 175.900 0.221 0.000 0.998 126 Y CA -0.703 57.551 58.100 0.256 0.000 1.059 126 Y CB 2.124 40.675 38.460 0.151 0.000 1.234 126 Y HN 0.630 nan 8.280 nan 0.000 0.461 127 A N 0.519 123.566 122.820 0.378 0.000 2.238 127 A HA 0.019 4.344 4.320 0.007 0.000 0.208 127 A C 1.920 179.544 177.584 0.067 0.000 1.177 127 A CA 1.181 53.428 52.037 0.349 0.000 0.804 127 A CB -0.260 18.982 19.000 0.405 0.000 0.823 127 A HN 0.676 nan 8.150 nan 0.000 0.482 128 S N -0.479 115.243 115.700 0.037 0.000 2.406 128 S HA 0.027 4.502 4.470 0.007 0.000 0.224 128 S C 1.008 175.491 174.600 -0.196 0.000 1.030 128 S CA 0.427 58.492 58.200 -0.227 0.000 0.958 128 S CB -0.053 63.121 63.200 -0.043 0.000 0.811 128 S HN 0.712 nan 8.310 nan 0.000 0.489 129 E N -0.037 120.166 120.200 0.005 0.000 2.790 129 E HA 0.420 4.775 4.350 0.007 0.000 0.256 129 E C 0.796 177.408 176.600 0.019 0.000 1.246 129 E CA -0.203 56.208 56.400 0.018 0.000 1.041 129 E CB 0.368 30.118 29.700 0.084 0.000 1.272 129 E HN 0.140 nan 8.360 nan 0.000 0.603 130 L N -2.119 119.085 121.223 -0.031 0.000 5.036 130 L HA -0.410 3.934 4.340 0.007 0.000 0.395 130 L C 1.767 178.421 176.870 -0.360 0.000 0.792 130 L CA 1.553 56.271 54.840 -0.204 0.000 2.205 130 L CB -1.258 40.663 42.059 -0.230 0.000 1.065 130 L HN 0.607 nan 8.230 nan 0.000 0.632 131 Y N -0.139 120.009 120.300 -0.253 0.000 2.230 131 Y HA -0.022 4.533 4.550 0.008 0.000 0.294 131 Y C 2.519 178.375 175.900 -0.073 0.000 1.120 131 Y CA 1.734 59.757 58.100 -0.128 0.000 1.129 131 Y CB 0.015 38.473 38.460 -0.004 0.000 1.040 131 Y HN 0.038 nan 8.280 nan 0.000 0.519 132 K N -0.039 120.401 120.400 0.067 0.000 2.152 132 K HA -0.232 4.092 4.320 0.007 0.000 0.206 132 K C 2.097 178.712 176.600 0.025 0.000 1.048 132 K CA 1.609 57.926 56.287 0.052 0.000 0.933 132 K CB -0.109 32.390 32.500 -0.002 0.000 0.721 132 K HN 0.198 nan 8.250 nan 0.000 0.447 133 R N 0.142 120.632 120.500 -0.016 0.000 2.127 133 R HA -0.031 4.314 4.340 0.007 0.000 0.217 133 R C 0.320 176.586 176.300 -0.056 0.000 1.074 133 R CA 1.060 57.143 56.100 -0.028 0.000 0.991 133 R CB 0.328 30.608 30.300 -0.033 0.000 0.895 133 R HN 0.233 nan 8.270 nan 0.000 0.450 134 G N 1.429 110.162 108.800 -0.113 0.000 2.545 134 G HA2 -0.226 3.738 3.960 0.007 0.000 0.279 134 G HA3 -0.226 3.738 3.960 0.007 0.000 0.279 134 G C -0.033 174.761 174.900 -0.176 0.000 1.131 134 G CA 0.290 45.296 45.100 -0.157 0.000 1.100 134 G HN 0.529 nan 8.290 nan 0.000 0.525 135 E N -0.908 119.131 120.200 -0.270 0.000 2.452 135 E HA 0.200 4.555 4.350 0.007 0.000 0.197 135 E C 1.215 177.751 176.600 -0.107 0.000 1.022 135 E CA -0.245 56.068 56.400 -0.146 0.000 0.890 135 E CB 0.192 29.833 29.700 -0.098 0.000 0.918 135 E HN 0.799 nan 8.360 nan 0.000 0.496 136 Y N 0.080 120.187 120.300 -0.320 0.000 2.457 136 Y HA 0.031 4.586 4.550 0.007 0.000 0.263 136 Y C 2.406 178.109 175.900 -0.329 0.000 1.164 136 Y CA -0.186 57.641 58.100 -0.456 0.000 1.274 136 Y CB 0.509 38.635 38.460 -0.557 0.000 1.097 136 Y HN 0.144 nan 8.280 nan 0.000 0.523 137 S N 1.032 116.649 115.700 -0.138 0.000 2.404 137 S HA -0.314 4.160 4.470 0.007 0.000 0.230 137 S C 1.598 176.115 174.600 -0.138 0.000 1.046 137 S CA 1.770 59.861 58.200 -0.181 0.000 1.135 137 S CB -0.824 62.231 63.200 -0.241 0.000 1.056 137 S HN 0.557 nan 8.310 nan 0.000 0.426 138 E N 2.148 122.296 120.200 -0.087 0.000 2.499 138 E HA -0.087 4.267 4.350 0.007 0.000 0.207 138 E C 0.783 177.398 176.600 0.025 0.000 1.175 138 E CA 0.954 57.348 56.400 -0.010 0.000 0.932 138 E CB -0.599 29.118 29.700 0.029 0.000 0.906 138 E HN 0.886 nan 8.360 nan 0.000 0.556 139 E N -0.601 119.608 120.200 0.015 0.000 2.555 139 E HA 0.233 4.587 4.350 0.007 0.000 0.209 139 E C 1.903 178.576 176.600 0.122 0.000 0.847 139 E CA -0.105 56.368 56.400 0.123 0.000 1.438 139 E CB 0.115 29.915 29.700 0.165 0.000 1.420 139 E HN 0.108 nan 8.360 nan 0.000 0.755 140 I N 1.720 122.319 120.570 0.049 0.000 2.286 140 I HA -0.247 3.928 4.170 0.007 0.000 0.248 140 I C 2.639 178.825 176.117 0.116 0.000 1.115 140 I CA 1.255 62.612 61.300 0.095 0.000 1.392 140 I CB -0.192 37.836 38.000 0.047 0.000 1.065 140 I HN 0.030 nan 8.210 nan 0.000 0.418 141 R N 1.478 121.984 120.500 0.010 0.000 2.115 141 R HA -0.115 4.230 4.340 0.007 0.000 0.226 141 R C 2.347 178.686 176.300 0.066 0.000 1.100 141 R CA 1.026 57.129 56.100 0.005 0.000 0.980 141 R CB -0.175 30.172 30.300 0.078 0.000 0.875 141 R HN 0.332 nan 8.270 nan 0.000 0.445 142 L N 0.423 121.680 121.223 0.056 0.000 2.141 142 L HA -0.040 4.305 4.340 0.007 0.000 0.209 142 L C 2.188 179.014 176.870 -0.073 0.000 1.094 142 L CA 1.289 56.123 54.840 -0.010 0.000 0.763 142 L CB -0.306 41.703 42.059 -0.084 0.000 0.908 142 L HN 0.386 nan 8.230 nan 0.000 0.437 143 A N -1.196 121.616 122.820 -0.012 0.000 2.119 143 A HA -0.145 4.180 4.320 0.007 0.000 0.217 143 A C 1.720 179.216 177.584 -0.147 0.000 1.153 143 A CA 0.931 52.936 52.037 -0.052 0.000 0.692 143 A CB -0.485 18.539 19.000 0.040 0.000 0.799 143 A HN 0.430 nan 8.150 nan 0.000 0.458 144 F N 0.344 120.091 119.950 -0.339 0.000 2.387 144 F HA 0.032 4.564 4.527 0.007 0.000 0.294 144 F C 2.408 177.996 175.800 -0.354 0.000 1.093 144 F CA 1.261 58.909 58.000 -0.588 0.000 1.420 144 F CB -0.124 37.893 39.000 -1.638 0.000 1.086 144 F HN 0.484 nan 8.300 nan 0.000 0.531 145 E N 0.148 120.357 120.200 0.014 0.000 2.152 145 E HA -0.188 4.166 4.350 0.007 0.000 0.192 145 E C 1.548 178.229 176.600 0.134 0.000 0.983 145 E CA 1.159 57.709 56.400 0.252 0.000 0.818 145 E CB -0.290 29.576 29.700 0.278 0.000 0.758 145 E HN 0.224 nan 8.360 nan 0.000 0.467 146 K N 0.967 121.381 120.400 0.023 0.000 2.498 146 K HA 0.155 4.479 4.320 0.007 0.000 0.207 146 K C 1.573 178.150 176.600 -0.039 0.000 1.033 146 K CA -0.329 55.950 56.287 -0.014 0.000 1.138 146 K CB 0.234 32.693 32.500 -0.068 0.000 0.860 146 K HN -0.018 nan 8.250 nan 0.000 0.490 147 R N 0.744 121.220 120.500 -0.039 0.000 2.170 147 R HA -0.185 4.159 4.340 0.007 0.000 0.242 147 R C 0.259 176.526 176.300 -0.055 0.000 1.145 147 R CA 2.034 58.089 56.100 -0.075 0.000 0.984 147 R CB 0.031 30.242 30.300 -0.147 0.000 0.869 147 R HN 0.277 nan 8.270 nan 0.000 0.455 148 D N 0.520 120.896 120.400 -0.041 0.000 2.084 148 D HA -0.149 4.496 4.640 0.007 0.000 0.194 148 D C 1.870 178.133 176.300 -0.063 0.000 0.990 148 D CA 1.145 55.115 54.000 -0.051 0.000 0.826 148 D CB -0.103 40.685 40.800 -0.020 0.000 0.971 148 D HN 0.104 nan 8.370 nan 0.000 0.453 149 K N 0.626 120.996 120.400 -0.051 0.000 2.009 149 K HA -0.067 4.258 4.320 0.007 0.000 0.210 149 K C 2.375 178.932 176.600 -0.072 0.000 1.049 149 K CA 0.519 56.772 56.287 -0.056 0.000 0.929 149 K CB -0.736 31.736 32.500 -0.047 0.000 0.714 149 K HN 0.289 nan 8.250 nan 0.000 0.440 150 I N 0.901 121.430 120.570 -0.069 0.000 2.399 150 I HA -0.285 3.889 4.170 0.007 0.000 0.254 150 I C 2.374 178.395 176.117 -0.160 0.000 1.146 150 I CA 1.179 62.432 61.300 -0.078 0.000 1.412 150 I CB -0.262 37.724 38.000 -0.023 0.000 1.076 150 I HN 0.160 nan 8.210 nan 0.000 0.432 151 M N -0.027 119.467 119.600 -0.176 0.000 2.334 151 M HA -0.117 4.367 4.480 0.007 0.000 0.266 151 M C 2.206 178.370 176.300 -0.227 0.000 1.082 151 M CA 1.217 56.344 55.300 -0.289 0.000 1.141 151 M CB -0.227 32.229 32.600 -0.239 0.000 1.380 151 M HN 0.264 nan 8.290 nan 0.000 0.440 152 E N 0.744 120.855 120.200 -0.150 0.000 2.285 152 E HA -0.098 4.257 4.350 0.007 0.000 0.194 152 E C 1.698 178.230 176.600 -0.113 0.000 0.997 152 E CA 0.876 57.201 56.400 -0.125 0.000 0.845 152 E CB -0.249 29.395 29.700 -0.093 0.000 0.782 152 E HN 0.511 nan 8.360 nan 0.000 0.491 153 I N 1.035 121.550 120.570 -0.092 0.000 2.333 153 I HA -0.172 4.003 4.170 0.007 0.000 0.246 153 I C 2.358 178.500 176.117 0.041 0.000 1.106 153 I CA 0.757 62.047 61.300 -0.017 0.000 1.411 153 I CB -0.032 37.967 38.000 -0.002 0.000 1.082 153 I HN 0.153 nan 8.210 nan 0.000 0.420 154 L N 0.247 121.414 121.223 -0.093 0.000 2.179 154 L HA -0.098 4.246 4.340 0.007 0.000 0.208 154 L C 2.116 178.918 176.870 -0.114 0.000 1.096 154 L CA 0.828 55.598 54.840 -0.117 0.000 0.779 154 L CB -0.709 41.145 42.059 -0.342 0.000 0.922 154 L HN 0.323 nan 8.230 nan 0.000 0.443 155 N N 0.629 119.226 118.700 -0.171 0.000 2.171 155 N HA -0.174 4.571 4.740 0.007 0.000 0.184 155 N C 1.770 177.204 175.510 -0.127 0.000 1.021 155 N CA 0.974 53.929 53.050 -0.158 0.000 0.854 155 N CB -0.071 38.313 38.487 -0.172 0.000 0.994 155 N HN 0.281 nan 8.380 nan 0.000 0.426 156 K N 0.305 120.610 120.400 -0.158 0.000 2.089 156 K HA -0.175 4.149 4.320 0.007 0.000 0.210 156 K C 1.511 177.926 176.600 -0.309 0.000 1.048 156 K CA 1.442 57.574 56.287 -0.258 0.000 0.926 156 K CB -0.125 32.156 32.500 -0.364 0.000 0.714 156 K HN 0.236 nan 8.250 nan 0.000 0.448 157 Y N -0.173 120.077 120.300 -0.084 0.000 2.475 157 Y HA 0.038 4.592 4.550 0.007 0.000 0.289 157 Y C 2.293 178.154 175.900 -0.065 0.000 1.121 157 Y CA 0.499 58.561 58.100 -0.064 0.000 1.257 157 Y CB 0.198 38.621 38.460 -0.062 0.000 1.026 157 Y HN 0.005 nan 8.280 nan 0.000 0.555 158 R N 0.134 120.652 120.500 0.030 0.000 2.075 158 R HA -0.148 4.196 4.340 0.007 0.000 0.232 158 R C 2.017 178.303 176.300 -0.023 0.000 1.126 158 R CA 1.385 57.478 56.100 -0.012 0.000 0.963 158 R CB -0.139 30.121 30.300 -0.066 0.000 0.858 158 R HN 0.414 nan 8.270 nan 0.000 0.435 159 E N 0.618 120.787 120.200 -0.052 0.000 2.047 159 E HA -0.144 4.211 4.350 0.007 0.000 0.191 159 E C 2.007 178.583 176.600 -0.041 0.000 0.987 159 E CA 0.902 57.269 56.400 -0.055 0.000 0.799 159 E CB 0.025 29.677 29.700 -0.079 0.000 0.752 159 E HN 0.271 nan 8.360 nan 0.000 0.449 160 I N 0.750 121.291 120.570 -0.048 0.000 2.264 160 I HA -0.235 3.939 4.170 0.007 0.000 0.248 160 I C 2.065 178.191 176.117 0.015 0.000 1.111 160 I CA 0.969 62.255 61.300 -0.024 0.000 1.382 160 I CB -0.116 37.868 38.000 -0.027 0.000 1.060 160 I HN 0.052 nan 8.210 nan 0.000 0.418 161 A N 0.971 123.811 122.820 0.034 0.000 2.302 161 A HA 0.007 4.331 4.320 0.007 0.000 0.219 161 A C 0.993 178.585 177.584 0.014 0.000 1.243 161 A CA -0.015 52.043 52.037 0.036 0.000 0.856 161 A CB -0.648 18.384 19.000 0.053 0.000 0.893 161 A HN 0.548 nan 8.150 nan 0.000 0.491 162 K N -0.141 120.259 120.400 -0.000 0.000 3.177 162 K HA -0.272 4.052 4.320 0.007 0.000 0.266 162 K C -0.293 176.303 176.600 -0.007 0.000 0.937 162 K CA 1.430 57.712 56.287 -0.008 0.000 0.702 162 K CB -2.460 30.036 32.500 -0.006 0.000 1.365 162 K HN 0.830 nan 8.250 nan 0.000 0.466 163 Q N -0.151 119.643 119.800 -0.010 0.000 2.377 163 Q HA 0.584 4.929 4.340 0.007 0.000 0.271 163 Q C -2.577 173.409 176.000 -0.024 0.000 1.077 163 Q CA -2.612 53.184 55.803 -0.011 0.000 0.820 163 Q CB 2.211 30.947 28.738 -0.003 0.000 1.347 163 Q HN 0.052 nan 8.270 nan 0.000 0.444 164 P HA 0.010 nan 4.420 nan 0.000 0.260 164 P C -2.237 175.033 177.300 -0.049 0.000 1.172 164 P CA -0.366 62.716 63.100 -0.029 0.000 0.760 164 P CB -0.107 31.583 31.700 -0.016 0.000 0.773 165 P HA 0.054 nan 4.420 nan 0.000 0.270 165 P C 0.308 177.538 177.300 -0.116 0.000 1.227 165 P CA -0.073 62.968 63.100 -0.099 0.000 0.788 165 P CB 0.748 32.393 31.700 -0.092 0.000 0.926 166 L N 1.521 122.627 121.223 -0.196 0.000 2.461 166 L HA 0.159 4.504 4.340 0.007 0.000 0.272 166 L C -1.653 175.152 176.870 -0.108 0.000 1.197 166 L CA -1.622 53.074 54.840 -0.241 0.000 0.836 166 L CB -0.774 40.948 42.059 -0.561 0.000 1.105 166 L HN 0.285 nan 8.230 nan 0.000 0.477 167 P HA 0.033 nan 4.420 nan 0.000 0.269 167 P C 0.393 177.711 177.300 0.030 0.000 1.209 167 P CA -0.201 62.925 63.100 0.044 0.000 0.776 167 P CB 0.614 32.380 31.700 0.110 0.000 0.876 168 E N 1.332 121.539 120.200 0.010 0.000 2.065 168 E HA -0.239 4.116 4.350 0.007 0.000 0.201 168 E C 0.303 176.888 176.600 -0.025 0.000 1.016 168 E CA 1.523 57.918 56.400 -0.009 0.000 0.818 168 E CB -0.353 29.351 29.700 0.007 0.000 0.749 168 E HN 0.597 nan 8.360 nan 0.000 0.453 169 N N -0.103 118.607 118.700 0.016 0.000 2.719 169 N HA 0.140 4.884 4.740 0.007 0.000 0.243 169 N C -1.552 173.919 175.510 -0.065 0.000 1.104 169 N CA -0.123 52.923 53.050 -0.006 0.000 0.981 169 N CB -0.089 38.498 38.487 0.166 0.000 1.290 169 N HN 0.133 nan 8.380 nan 0.000 0.513 170 W N 2.851 123.831 121.300 -0.534 0.000 2.739 170 W HA 0.631 5.296 4.660 0.007 0.000 0.331 170 W C -1.915 174.078 176.519 -0.877 0.000 1.049 170 W CA -0.712 56.351 57.345 -0.470 0.000 1.234 170 W CB 1.073 30.352 29.460 -0.302 0.000 1.404 170 W HN 0.345 nan 8.180 nan 0.000 0.477 171 W N 7.172 127.911 121.300 -0.934 0.000 2.739 171 W HA 0.355 5.019 4.660 0.007 0.000 0.331 171 W C -1.637 173.880 176.519 -1.669 0.000 1.049 171 W CA -2.290 54.444 57.345 -1.018 0.000 1.234 171 W CB 1.431 30.512 29.460 -0.632 0.000 1.404 171 W HN 0.208 nan 8.180 nan 0.000 0.477 172 P HA 0.098 nan 4.420 nan 0.000 0.285 172 P C -0.112 176.909 177.300 -0.466 0.000 1.521 172 P CA 0.936 63.557 63.100 -0.798 0.000 0.792 172 P CB 0.001 31.525 31.700 -0.293 0.000 1.613 173 A N -0.626 121.921 122.820 -0.455 0.000 2.467 173 A HA 0.803 5.128 4.320 0.007 0.000 0.301 173 A C -1.135 176.346 177.584 -0.172 0.000 1.126 173 A CA -0.539 51.395 52.037 -0.173 0.000 0.632 173 A CB 1.102 20.139 19.000 0.061 0.000 1.331 173 A HN -0.069 nan 8.150 nan 0.000 0.482 174 M N -0.552 118.949 119.600 -0.164 0.000 2.948 174 M HA 0.696 5.180 4.480 0.007 0.000 0.278 174 M C -0.669 175.440 176.300 -0.319 0.000 1.293 174 M CA -0.592 54.569 55.300 -0.232 0.000 0.777 174 M CB 1.268 33.702 32.600 -0.276 0.000 1.713 174 M HN 1.518 nan 8.290 nan 0.000 0.444 175 V N -1.827 117.842 119.914 -0.408 0.000 3.159 175 V HA 0.653 4.778 4.120 0.007 0.000 0.308 175 V C -2.050 173.755 176.094 -0.481 0.000 1.190 175 V CA -0.697 61.322 62.300 -0.469 0.000 1.037 175 V CB 2.416 33.961 31.823 -0.462 0.000 1.060 175 V HN 0.787 nan 8.190 nan 0.000 0.437 176 Y N 0.930 121.067 120.300 -0.271 0.000 2.426 176 Y HA 0.447 5.002 4.550 0.008 0.000 0.325 176 Y C 0.549 176.322 175.900 -0.211 0.000 0.989 176 Y CA -0.776 57.202 58.100 -0.205 0.000 1.284 176 Y CB 1.607 39.993 38.460 -0.123 0.000 1.104 176 Y HN 0.998 nan 8.280 nan 0.000 0.481 177 C N 6.511 125.742 119.300 -0.115 0.000 2.419 177 C HA -0.056 4.409 4.460 0.007 0.000 0.398 177 C C -0.791 174.247 174.990 0.079 0.000 1.498 177 C CA -1.003 57.954 59.018 -0.101 0.000 1.494 177 C CB 0.121 27.846 27.740 -0.024 0.000 2.485 177 C HN 0.704 nan 8.230 nan 0.000 0.608 178 P HA -0.152 nan 4.420 nan 0.000 0.217 178 P C 0.467 177.845 177.300 0.128 0.000 1.162 178 P CA 1.646 64.825 63.100 0.130 0.000 0.901 178 P CB 0.112 31.902 31.700 0.150 0.000 0.793 179 E N -2.265 118.031 120.200 0.159 0.000 2.338 179 E HA 0.062 4.416 4.350 0.007 0.000 0.231 179 E C 0.565 177.277 176.600 0.188 0.000 1.231 179 E CA 0.136 56.621 56.400 0.141 0.000 1.490 179 E CB -0.602 29.180 29.700 0.135 0.000 1.360 179 E HN 0.319 nan 8.360 nan 0.000 0.435 180 H N -0.573 118.527 119.070 0.050 0.000 1.904 180 H HA 0.019 4.579 4.556 0.007 0.000 0.125 180 H C 0.393 175.721 175.328 0.001 0.000 1.002 180 H CA 0.658 56.723 56.048 0.028 0.000 0.486 180 H CB 0.256 30.052 29.762 0.055 0.000 0.412 180 H HN 0.007 nan 8.280 nan 0.000 0.282 181 R N 0.565 121.164 120.500 0.165 0.000 3.982 181 R HA -0.193 4.152 4.340 0.007 0.000 0.360 181 R C 0.209 176.566 176.300 0.096 0.000 0.241 181 R CA 1.460 57.600 56.100 0.067 0.000 1.177 181 R CB -1.337 28.946 30.300 -0.028 0.000 1.024 181 R HN 0.526 nan 8.270 nan 0.000 0.550 182 R N 1.145 121.663 120.500 0.029 0.000 3.115 182 R HA -0.177 4.167 4.340 0.007 0.000 0.615 182 R C 0.228 176.621 176.300 0.155 0.000 0.927 182 R CA 1.396 57.534 56.100 0.063 0.000 1.826 182 R CB -0.606 29.742 30.300 0.081 0.000 1.936 182 R HN 0.726 nan 8.270 nan 0.000 0.604 183 E N -0.040 120.262 120.200 0.169 0.000 2.248 183 E HA 0.679 5.034 4.350 0.007 0.000 0.272 183 E C -0.870 175.733 176.600 0.005 0.000 1.008 183 E CA -0.235 56.269 56.400 0.173 0.000 0.856 183 E CB 1.497 31.308 29.700 0.185 0.000 1.120 183 E HN 0.602 nan 8.360 nan 0.000 0.397 184 A N 2.735 125.506 122.820 -0.081 0.000 2.549 184 A HA 0.437 4.761 4.320 0.007 0.000 0.297 184 A C -1.394 176.144 177.584 -0.077 0.000 1.061 184 A CA -0.903 51.087 52.037 -0.078 0.000 0.690 184 A CB 1.214 20.153 19.000 -0.102 0.000 1.287 184 A HN 0.602 nan 8.150 nan 0.000 0.402 185 E N 0.630 120.814 120.200 -0.028 0.000 2.390 185 E HA 0.458 4.813 4.350 0.007 0.000 0.261 185 E C -0.615 175.980 176.600 -0.008 0.000 1.076 185 E CA 0.049 56.437 56.400 -0.020 0.000 0.905 185 E CB 0.633 30.338 29.700 0.009 0.000 0.984 185 E HN 0.470 nan 8.360 nan 0.000 0.427 186 I N 2.834 123.391 120.570 -0.021 0.000 2.304 186 I HA 0.142 4.316 4.170 0.007 0.000 0.291 186 I C 0.972 177.034 176.117 -0.092 0.000 1.018 186 I CA -0.156 61.083 61.300 -0.102 0.000 1.260 186 I CB 0.829 38.716 38.000 -0.187 0.000 1.390 186 I HN 0.619 nan 8.210 nan 0.000 0.475 187 I N 5.768 126.251 120.570 -0.145 0.000 2.500 187 I HA -0.044 4.131 4.170 0.007 0.000 0.252 187 I C 0.759 176.841 176.117 -0.057 0.000 1.142 187 I CA 0.946 62.220 61.300 -0.043 0.000 1.451 187 I CB 0.306 38.249 38.000 -0.096 0.000 1.093 187 I HN 0.750 nan 8.210 nan 0.000 0.430 188 E N -1.559 118.402 120.200 -0.398 0.000 2.429 188 E HA 0.195 4.549 4.350 0.007 0.000 0.280 188 E C -1.757 174.454 176.600 -0.648 0.000 1.068 188 E CA -0.921 55.199 56.400 -0.468 0.000 0.837 188 E CB 0.701 30.317 29.700 -0.139 0.000 1.357 188 E HN 0.107 nan 8.360 nan 0.000 0.455 189 W N 3.315 124.179 121.300 -0.726 0.000 2.998 189 W HA 0.338 5.002 4.660 0.007 0.000 0.335 189 W C -0.966 175.557 176.519 0.006 0.000 1.110 189 W CA -0.545 56.563 57.345 -0.395 0.000 1.230 189 W CB 1.389 30.590 29.460 -0.432 0.000 1.405 189 W HN 0.737 nan 8.180 nan 0.000 0.493 190 D N 1.778 121.931 120.400 -0.412 0.000 2.348 190 D HA 0.214 4.858 4.640 0.007 0.000 0.272 190 D C 1.401 177.029 176.300 -1.119 0.000 1.237 190 D CA 0.371 54.086 54.000 -0.476 0.000 1.042 190 D CB -0.049 40.610 40.800 -0.234 0.000 1.117 190 D HN 0.589 nan 8.370 nan 0.000 0.548 191 G N -1.714 106.686 108.800 -0.667 0.000 2.422 191 G HA2 0.265 4.230 3.960 0.007 0.000 0.218 191 G HA3 0.265 4.230 3.960 0.007 0.000 0.218 191 G C 0.742 175.260 174.900 -0.637 0.000 1.146 191 G CA 0.809 45.540 45.100 -0.615 0.000 0.769 191 G HN 0.879 nan 8.290 nan 0.000 0.547 192 G N -4.175 104.422 108.800 -0.338 0.000 2.583 192 G HA2 0.388 4.352 3.960 0.007 0.000 0.303 192 G HA3 0.388 4.352 3.960 0.007 0.000 0.303 192 G C -0.282 174.918 174.900 0.500 0.000 1.524 192 G CA -0.165 45.114 45.100 0.299 0.000 0.903 192 G HN 0.244 nan 8.290 nan 0.000 0.587 193 W N -0.007 121.451 121.300 0.262 0.000 0.689 193 W HA -0.186 4.478 4.660 0.008 0.000 0.220 193 W C 0.896 177.491 176.519 0.128 0.000 0.930 193 W CA 1.046 58.472 57.345 0.134 0.000 0.343 193 W CB -1.047 28.451 29.460 0.064 0.000 1.926 193 W HN 0.690 nan 8.180 nan 0.000 1.185 194 K N 0.906 121.523 120.400 0.362 0.000 2.206 194 K HA 0.636 4.961 4.320 0.007 0.000 0.264 194 K C -0.408 176.478 176.600 0.477 0.000 0.967 194 K CA -0.241 56.263 56.287 0.363 0.000 0.844 194 K CB 1.417 34.051 32.500 0.223 0.000 1.099 194 K HN -0.032 nan 8.250 nan 0.000 0.441 195 V N 0.114 120.256 119.914 0.380 0.000 2.789 195 V HA 0.635 4.760 4.120 0.007 0.000 0.311 195 V C -0.706 175.281 176.094 -0.178 0.000 1.073 195 V CA -1.004 61.351 62.300 0.092 0.000 0.921 195 V CB 1.746 33.521 31.823 -0.079 0.000 1.009 195 V HN 0.712 nan 8.190 nan 0.000 0.426 196 K N 2.718 122.666 120.400 -0.753 0.000 2.139 196 K HA 0.749 5.074 4.320 0.007 0.000 0.243 196 K C -1.291 175.011 176.600 -0.497 0.000 0.983 196 K CA -0.582 55.052 56.287 -1.088 0.000 0.890 196 K CB 1.907 33.320 32.500 -1.811 0.000 1.090 196 K HN 0.971 nan 8.250 nan 0.000 0.445 197 Y N -1.220 118.804 120.300 -0.460 0.000 2.728 197 Y HA 0.623 5.178 4.550 0.007 0.000 0.330 197 Y C -1.475 174.262 175.900 -0.270 0.000 1.234 197 Y CA -1.230 56.687 58.100 -0.305 0.000 1.070 197 Y CB 1.335 39.654 38.460 -0.236 0.000 1.300 197 Y HN 0.578 nan 8.280 nan 0.000 0.467 198 K N 0.461 120.884 120.400 0.038 0.000 2.610 198 K HA 0.691 5.016 4.320 0.007 0.000 0.278 198 K C -2.041 174.564 176.600 0.008 0.000 0.964 198 K CA -0.510 55.748 56.287 -0.047 0.000 0.859 198 K CB 2.023 34.472 32.500 -0.086 0.000 1.434 198 K HN 1.203 nan 8.250 nan 0.000 0.410 199 C N 0.349 119.640 119.300 -0.015 0.000 2.712 199 C HA 0.631 5.095 4.460 0.007 0.000 0.308 199 C C -2.616 172.375 174.990 0.002 0.000 1.201 199 C CA -2.360 56.653 59.018 -0.009 0.000 1.554 199 C CB 1.110 28.833 27.740 -0.029 0.000 2.117 199 C HN 0.605 nan 8.230 nan 0.000 0.480 200 P HA 0.110 nan 4.420 nan 0.000 0.245 200 P C 0.499 177.808 177.300 0.014 0.000 1.347 200 P CA 1.321 64.426 63.100 0.009 0.000 1.314 200 P CB -0.128 31.575 31.700 0.006 0.000 1.679 201 E N 1.617 121.834 120.200 0.027 0.000 2.142 201 E HA 0.004 4.359 4.350 0.007 0.000 0.181 201 E C 0.919 177.550 176.600 0.052 0.000 0.916 201 E CA 0.865 57.289 56.400 0.040 0.000 1.337 201 E CB -0.168 29.565 29.700 0.055 0.000 2.627 201 E HN 0.361 nan 8.360 nan 0.000 0.826 202 G N 1.995 110.826 108.800 0.053 0.000 2.132 202 G HA2 -0.276 3.689 3.960 0.007 0.000 0.234 202 G HA3 -0.276 3.689 3.960 0.007 0.000 0.234 202 G C -0.195 174.762 174.900 0.095 0.000 0.989 202 G CA 0.639 45.769 45.100 0.051 0.000 0.676 202 G HN 0.530 nan 8.290 nan 0.000 0.522 203 H N 0.290 119.349 119.070 -0.018 0.000 2.458 203 H HA 0.678 5.239 4.556 0.007 0.000 0.330 203 H C 0.321 175.613 175.328 -0.060 0.000 1.111 203 H CA -0.158 55.876 56.048 -0.024 0.000 1.245 203 H CB 1.267 31.029 29.762 -0.000 0.000 1.456 203 H HN 0.430 nan 8.280 nan 0.000 0.488 204 E N 2.421 122.585 120.200 -0.060 0.000 3.530 204 E HA 0.565 4.919 4.350 0.007 0.000 0.175 204 E C -0.487 175.743 176.600 -0.617 0.000 0.861 204 E CA -0.795 55.361 56.400 -0.406 0.000 1.136 204 E CB 1.610 31.152 29.700 -0.263 0.000 1.859 204 E HN 0.825 nan 8.360 nan 0.000 0.369 205 G N -0.207 108.251 108.800 -0.570 0.000 2.459 205 G HA2 -0.002 3.962 3.960 0.007 0.000 0.685 205 G HA3 -0.002 3.962 3.960 0.007 0.000 0.685 205 G C -1.963 172.550 174.900 -0.645 0.000 1.303 205 G CA -0.790 44.063 45.100 -0.412 0.000 0.907 205 G HN 0.240 nan 8.290 nan 0.000 0.632 206 W N -0.689 120.472 121.300 -0.232 0.000 2.671 206 W HA 0.810 5.474 4.660 0.008 0.000 0.360 206 W C 0.385 176.977 176.519 0.122 0.000 1.128 206 W CA -0.177 57.119 57.345 -0.082 0.000 1.184 206 W CB 2.135 31.569 29.460 -0.042 0.000 1.415 206 W HN 1.041 nan 8.180 nan 0.000 0.604 207 V N -1.330 118.839 119.914 0.426 0.000 3.023 207 V HA 0.393 4.518 4.120 0.007 0.000 0.294 207 V C -1.438 174.806 176.094 0.249 0.000 1.324 207 V CA -0.999 61.493 62.300 0.320 0.000 0.979 207 V CB 1.361 33.365 31.823 0.302 0.000 1.093 207 V HN 0.470 nan 8.190 nan 0.000 0.434 208 D N 1.091 121.608 120.400 0.195 0.000 2.264 208 D HA 0.567 5.212 4.640 0.007 0.000 0.249 208 D C 0.986 177.326 176.300 0.066 0.000 1.070 208 D CA -0.252 53.846 54.000 0.162 0.000 0.912 208 D CB 1.657 42.565 40.800 0.180 0.000 1.193 208 D HN 0.573 nan 8.370 nan 0.000 0.427 209 I N 1.735 122.291 120.570 -0.023 0.000 2.500 209 I HA -0.075 4.099 4.170 0.007 0.000 0.252 209 I C 1.965 178.000 176.117 -0.135 0.000 1.142 209 I CA 0.425 61.664 61.300 -0.102 0.000 1.451 209 I CB -0.020 37.855 38.000 -0.208 0.000 1.093 209 I HN 0.306 nan 8.210 nan 0.000 0.430 210 R N 0.837 121.187 120.500 -0.250 0.000 2.280 210 R HA -0.083 4.261 4.340 0.007 0.000 0.207 210 R C 2.468 178.725 176.300 -0.072 0.000 1.043 210 R CA 1.075 57.025 56.100 -0.251 0.000 1.006 210 R CB -0.313 29.736 30.300 -0.418 0.000 0.885 210 R HN 0.483 nan 8.270 nan 0.000 0.467 211 S N -1.600 114.101 115.700 0.002 0.000 2.338 211 S HA 0.003 4.477 4.470 0.007 0.000 0.218 211 S C 1.550 176.211 174.600 0.102 0.000 1.032 211 S CA 1.028 59.266 58.200 0.065 0.000 0.999 211 S CB -0.160 63.098 63.200 0.096 0.000 0.905 211 S HN 0.381 nan 8.310 nan 0.000 0.439 212 G N 0.616 109.508 108.800 0.153 0.000 2.155 212 G HA2 -0.121 3.844 3.960 0.007 0.000 0.130 212 G HA3 -0.121 3.844 3.960 0.007 0.000 0.130 212 G C 0.174 175.285 174.900 0.352 0.000 1.027 212 G CA 0.058 45.332 45.100 0.290 0.000 0.705 212 G HN 0.434 nan 8.290 nan 0.000 0.496 213 N N 0.089 118.915 118.700 0.211 0.000 2.238 213 N HA 0.278 5.022 4.740 0.007 0.000 0.222 213 N C -0.262 175.219 175.510 -0.049 0.000 1.133 213 N CA 0.539 53.671 53.050 0.137 0.000 0.854 213 N CB 1.744 40.295 38.487 0.106 0.000 1.041 213 N HN 0.517 nan 8.380 nan 0.000 0.510 214 V N 0.614 120.537 119.914 0.016 0.000 2.447 214 V HA 0.364 4.489 4.120 0.007 0.000 0.292 214 V C -0.931 175.198 176.094 0.058 0.000 1.021 214 V CA -0.735 61.537 62.300 -0.046 0.000 0.850 214 V CB 1.774 33.607 31.823 0.016 0.000 1.005 214 V HN -0.053 nan 8.190 nan 0.000 0.426 215 K N 6.087 126.367 120.400 -0.200 0.000 2.274 215 K HA 0.604 4.928 4.320 0.007 0.000 0.262 215 K C -0.917 175.672 176.600 -0.018 0.000 0.961 215 K CA -0.810 55.366 56.287 -0.185 0.000 0.833 215 K CB 1.513 33.627 32.500 -0.644 0.000 1.102 215 K HN 0.654 nan 8.250 nan 0.000 0.436 216 L N 2.965 124.305 121.223 0.195 0.000 2.499 216 L HA 0.145 4.490 4.340 0.007 0.000 0.281 216 L C 0.666 177.572 176.870 0.059 0.000 1.234 216 L CA 0.371 55.283 54.840 0.121 0.000 0.839 216 L CB 0.050 42.212 42.059 0.172 0.000 1.104 216 L HN 0.583 nan 8.230 nan 0.000 0.500 217 R N 2.457 122.961 120.500 0.006 0.000 2.491 217 R HA -0.008 4.337 4.340 0.007 0.000 0.283 217 R C 0.913 177.233 176.300 0.033 0.000 1.072 217 R CA 0.034 56.148 56.100 0.023 0.000 1.048 217 R CB 0.278 30.578 30.300 -0.002 0.000 0.983 217 R HN 0.658 nan 8.270 nan 0.000 0.450 218 W N 4.640 125.958 121.300 0.029 0.000 2.341 218 W HA -0.236 4.429 4.660 0.008 0.000 0.283 218 W C 0.456 176.989 176.519 0.023 0.000 1.215 218 W CA 0.974 58.324 57.345 0.008 0.000 1.211 218 W CB -0.372 29.064 29.460 -0.040 0.000 1.131 218 W HN 0.584 nan 8.180 nan 0.000 0.552 219 R N 0.568 120.584 120.500 -0.807 0.000 2.237 219 R HA -0.042 4.302 4.340 0.007 0.000 0.219 219 R C 1.981 178.121 176.300 -0.267 0.000 1.080 219 R CA 1.408 57.089 56.100 -0.699 0.000 0.995 219 R CB 0.052 29.887 30.300 -0.776 0.000 0.875 219 R HN 0.183 nan 8.270 nan 0.000 0.462 220 V N -1.137 118.696 119.914 -0.136 0.000 3.359 220 V HA -0.047 4.078 4.120 0.007 0.000 0.245 220 V C 1.365 177.439 176.094 -0.034 0.000 1.247 220 V CA 0.698 62.969 62.300 -0.049 0.000 1.145 220 V CB 0.415 32.254 31.823 0.027 0.000 0.906 220 V HN 0.140 nan 8.190 nan 0.000 0.464 221 D N -0.237 120.178 120.400 0.025 0.000 2.178 221 D HA -0.248 4.396 4.640 0.007 0.000 0.201 221 D C 1.810 178.136 176.300 0.042 0.000 0.980 221 D CA 1.449 55.493 54.000 0.072 0.000 0.842 221 D CB -0.039 40.877 40.800 0.193 0.000 0.948 221 D HN 0.474 nan 8.370 nan 0.000 0.472 222 W N 0.888 122.047 121.300 -0.235 0.000 2.441 222 W HA 0.134 4.799 4.660 0.008 0.000 0.302 222 W C -1.210 174.822 176.519 -0.812 0.000 1.191 222 W CA 0.359 57.433 57.345 -0.452 0.000 1.327 222 W CB -1.437 27.746 29.460 -0.462 0.000 1.128 222 W HN 0.079 nan 8.180 nan 0.000 0.522 223 P HA -0.219 nan 4.420 nan 0.000 0.218 223 P C 1.753 178.786 177.300 -0.446 0.000 1.149 223 P CA 2.808 65.493 63.100 -0.691 0.000 0.817 223 P CB -0.411 31.073 31.700 -0.360 0.000 0.785 224 M N 0.452 119.736 119.600 -0.527 0.000 2.059 224 M HA -0.181 4.304 4.480 0.007 0.000 0.259 224 M C 2.206 178.244 176.300 -0.436 0.000 1.072 224 M CA 2.097 56.900 55.300 -0.827 0.000 1.117 224 M CB -1.377 30.802 32.600 -0.702 0.000 1.320 224 M HN -0.255 nan 8.290 nan 0.000 0.408 225 R N -0.816 119.556 120.500 -0.212 0.000 2.117 225 R HA -0.194 4.150 4.340 0.007 0.000 0.243 225 R C 1.803 178.310 176.300 0.344 0.000 1.143 225 R CA 1.840 58.034 56.100 0.157 0.000 0.968 225 R CB -1.431 29.136 30.300 0.445 0.000 0.863 225 R HN 0.549 nan 8.270 nan 0.000 0.444 226 W N 2.126 123.429 121.300 0.005 0.000 2.304 226 W HA -0.226 4.438 4.660 0.008 0.000 0.315 226 W C 2.990 179.495 176.519 -0.023 0.000 1.233 226 W CA 1.787 59.111 57.345 -0.035 0.000 1.261 226 W CB -1.099 28.249 29.460 -0.186 0.000 1.150 226 W HN 0.436 nan 8.180 nan 0.000 0.494 227 S N -2.180 113.602 115.700 0.137 0.000 2.362 227 S HA -0.177 4.298 4.470 0.007 0.000 0.221 227 S C 1.786 176.430 174.600 0.074 0.000 1.032 227 S CA 1.403 59.641 58.200 0.062 0.000 0.973 227 S CB -1.087 62.101 63.200 -0.021 0.000 0.849 227 S HN 0.432 nan 8.310 nan 0.000 0.465 228 H N 0.631 119.614 119.070 -0.144 0.000 2.355 228 H HA -0.154 4.406 4.556 0.007 0.000 0.293 228 H C 1.709 176.925 175.328 -0.186 0.000 1.060 228 H CA 2.264 58.163 56.048 -0.248 0.000 1.167 228 H CB -0.376 29.086 29.762 -0.501 0.000 1.376 228 H HN 0.523 nan 8.280 nan 0.000 0.549 229 F N 0.185 120.160 119.950 0.042 0.000 2.408 229 F HA 0.043 4.574 4.527 0.007 0.000 0.300 229 F C 1.860 177.677 175.800 0.027 0.000 1.090 229 F CA 0.682 58.671 58.000 -0.017 0.000 1.427 229 F CB -0.198 38.827 39.000 0.042 0.000 1.070 229 F HN 0.505 nan 8.300 nan 0.000 0.549 230 G N 1.439 110.361 108.800 0.204 0.000 2.324 230 G HA2 -0.235 3.730 3.960 0.007 0.000 0.292 230 G HA3 -0.235 3.730 3.960 0.007 0.000 0.292 230 G C -0.042 174.920 174.900 0.103 0.000 1.079 230 G CA 0.122 45.294 45.100 0.120 0.000 1.026 230 G HN 0.337 nan 8.290 nan 0.000 0.506 231 V N -0.289 119.700 119.914 0.124 0.000 2.655 231 V HA 0.372 4.497 4.120 0.007 0.000 0.300 231 V C 1.254 177.324 176.094 -0.040 0.000 1.044 231 V CA 1.054 63.390 62.300 0.060 0.000 1.095 231 V CB 0.873 32.745 31.823 0.081 0.000 0.952 231 V HN 0.440 nan 8.190 nan 0.000 0.485 232 D N 4.750 125.166 120.400 0.026 0.000 2.269 232 D HA 0.142 4.787 4.640 0.007 0.000 0.220 232 D C -0.237 176.112 176.300 0.082 0.000 0.962 232 D CA 1.003 55.033 54.000 0.049 0.000 0.884 232 D CB 0.172 41.079 40.800 0.178 0.000 1.023 232 D HN 0.474 nan 8.370 nan 0.000 0.484 233 F N 0.647 120.553 119.950 -0.074 0.000 2.540 233 F HA 0.487 5.019 4.527 0.008 0.000 0.317 233 F C -1.387 174.381 175.800 -0.052 0.000 1.104 233 F CA -1.166 56.785 58.000 -0.081 0.000 0.913 233 F CB 1.936 40.896 39.000 -0.066 0.000 1.170 233 F HN -0.289 nan 8.300 nan 0.000 0.450 234 E N 7.493 127.232 120.200 -0.768 0.000 2.313 234 E HA 0.419 4.773 4.350 0.007 0.000 0.280 234 E C -2.990 173.276 176.600 -0.557 0.000 0.898 234 E CA -2.289 53.798 56.400 -0.522 0.000 0.803 234 E CB 2.183 31.864 29.700 -0.032 0.000 1.286 234 E HN 0.263 nan 8.360 nan 0.000 0.401 235 P HA 0.382 nan 4.420 nan 0.000 0.274 235 P C -1.368 175.999 177.300 0.112 0.000 1.246 235 P CA -0.289 62.719 63.100 -0.153 0.000 0.795 235 P CB 1.256 32.998 31.700 0.070 0.000 1.006 236 A N 0.749 123.610 122.820 0.069 0.000 2.606 236 A HA 0.718 5.042 4.320 0.007 0.000 0.293 236 A C -0.204 177.155 177.584 -0.374 0.000 1.082 236 A CA -0.396 51.665 52.037 0.040 0.000 0.685 236 A CB 0.951 20.091 19.000 0.234 0.000 1.284 236 A HN 0.561 nan 8.150 nan 0.000 0.408 237 G N -0.406 108.224 108.800 -0.283 0.000 2.562 237 G HA2 0.402 4.367 3.960 0.007 0.000 0.275 237 G HA3 0.402 4.367 3.960 0.007 0.000 0.275 237 G C 0.725 175.488 174.900 -0.227 0.000 1.196 237 G CA 0.205 45.047 45.100 -0.429 0.000 0.908 237 G HN 1.022 nan 8.290 nan 0.000 0.524 238 K N -0.506 119.767 120.400 -0.211 0.000 2.074 238 K HA -0.168 4.156 4.320 0.007 0.000 0.209 238 K C 1.677 178.216 176.600 -0.102 0.000 1.048 238 K CA 2.016 58.227 56.287 -0.126 0.000 0.926 238 K CB -0.127 32.314 32.500 -0.097 0.000 0.713 238 K HN 0.520 nan 8.250 nan 0.000 0.444 239 D N 0.221 120.518 120.400 -0.172 0.000 2.116 239 D HA -0.188 4.456 4.640 0.007 0.000 0.193 239 D C 1.829 178.006 176.300 -0.205 0.000 0.998 239 D CA 1.298 55.148 54.000 -0.250 0.000 0.836 239 D CB -0.371 40.154 40.800 -0.459 0.000 0.951 239 D HN 0.479 nan 8.370 nan 0.000 0.449 240 H N -0.777 118.331 119.070 0.065 0.000 2.551 240 H HA 0.086 4.647 4.556 0.007 0.000 0.266 240 H C 1.783 177.265 175.328 0.257 0.000 0.964 240 H CA 0.158 56.322 56.048 0.193 0.000 1.180 240 H CB 0.530 30.395 29.762 0.171 0.000 1.408 240 H HN 0.078 nan 8.280 nan 0.000 0.563 241 L N 0.398 121.750 121.223 0.214 0.000 2.609 241 L HA 0.181 4.525 4.340 0.007 0.000 0.230 241 L C 0.790 177.721 176.870 0.101 0.000 1.087 241 L CA 0.285 55.217 54.840 0.153 0.000 0.874 241 L CB 0.376 42.438 42.059 0.005 0.000 1.114 241 L HN -0.122 nan 8.230 nan 0.000 0.488 242 V N 1.384 121.338 119.914 0.066 0.000 2.999 242 V HA 0.339 4.463 4.120 0.007 0.000 0.307 242 V C 0.835 176.977 176.094 0.079 0.000 1.084 242 V CA -0.209 62.120 62.300 0.048 0.000 1.155 242 V CB 0.774 32.609 31.823 0.020 0.000 0.975 242 V HN 0.405 nan 8.190 nan 0.000 0.490 243 A N 4.807 127.671 122.820 0.073 0.000 2.561 243 A HA 0.464 4.789 4.320 0.007 0.000 0.251 243 A C 1.540 179.185 177.584 0.103 0.000 1.062 243 A CA 0.674 52.768 52.037 0.095 0.000 0.761 243 A CB -0.852 18.199 19.000 0.084 0.000 0.986 243 A HN 2.570 nan 8.150 nan 0.000 0.510 244 G N 1.442 110.309 108.800 0.112 0.000 2.175 244 G HA2 -0.232 3.732 3.960 0.007 0.000 0.244 244 G HA3 -0.232 3.732 3.960 0.007 0.000 0.244 244 G C 0.881 175.733 174.900 -0.079 0.000 0.982 244 G CA 0.914 46.090 45.100 0.126 0.000 0.641 244 G HN 1.383 nan 8.290 nan 0.000 0.527 245 S N -0.671 115.011 115.700 -0.030 0.000 2.307 245 S HA 0.593 5.067 4.470 0.007 0.000 0.252 245 S C 2.208 176.796 174.600 -0.021 0.000 1.204 245 S CA 1.016 59.222 58.200 0.010 0.000 1.018 245 S CB 0.472 63.738 63.200 0.110 0.000 1.077 245 S HN 0.629 nan 8.310 nan 0.000 0.454 246 S N 0.085 115.903 115.700 0.197 0.000 2.382 246 S HA -0.092 4.382 4.470 0.007 0.000 0.228 246 S C 1.634 176.417 174.600 0.305 0.000 1.027 246 S CA 1.449 59.811 58.200 0.270 0.000 0.991 246 S CB -0.666 62.927 63.200 0.655 0.000 0.823 246 S HN 0.678 nan 8.310 nan 0.000 0.469 247 Y N 2.724 123.214 120.300 0.317 0.000 2.242 247 Y HA -0.143 4.412 4.550 0.007 0.000 0.291 247 Y C 1.700 177.644 175.900 0.074 0.000 1.137 247 Y CA 1.418 59.658 58.100 0.233 0.000 1.181 247 Y CB -0.409 38.214 38.460 0.271 0.000 0.989 247 Y HN 0.133 nan 8.280 nan 0.000 0.527 248 D N -0.690 119.655 120.400 -0.092 0.000 2.117 248 D HA -0.164 4.480 4.640 0.007 0.000 0.198 248 D C 2.335 178.428 176.300 -0.346 0.000 0.982 248 D CA 2.219 56.067 54.000 -0.254 0.000 0.828 248 D CB -0.750 39.901 40.800 -0.248 0.000 0.967 248 D HN 0.550 nan 8.370 nan 0.000 0.464 249 T N -1.432 112.860 114.554 -0.437 0.000 2.746 249 T HA -0.088 4.266 4.350 0.007 0.000 0.267 249 T C 2.190 176.757 174.700 -0.221 0.000 1.039 249 T CA 1.592 63.494 62.100 -0.330 0.000 1.142 249 T CB -0.875 67.801 68.868 -0.319 0.000 0.866 249 T HN 0.119 nan 8.240 nan 0.000 0.444 250 G N 1.232 109.866 108.800 -0.277 0.000 2.443 250 G HA2 -0.123 3.842 3.960 0.007 0.000 0.219 250 G HA3 -0.123 3.842 3.960 0.007 0.000 0.219 250 G C 1.542 176.360 174.900 -0.138 0.000 1.131 250 G CA 0.836 45.721 45.100 -0.359 0.000 0.775 250 G HN 0.625 nan 8.290 nan 0.000 0.547 251 K N 0.487 120.778 120.400 -0.181 0.000 2.002 251 K HA -0.097 4.227 4.320 0.007 0.000 0.209 251 K C 2.307 178.874 176.600 -0.056 0.000 1.048 251 K CA 1.568 57.759 56.287 -0.160 0.000 0.930 251 K CB -0.196 32.086 32.500 -0.363 0.000 0.714 251 K HN 0.375 nan 8.250 nan 0.000 0.438 252 E N 0.466 120.637 120.200 -0.049 0.000 2.046 252 E HA -0.135 4.220 4.350 0.007 0.000 0.190 252 E C 2.144 178.749 176.600 0.007 0.000 0.982 252 E CA 1.227 57.628 56.400 0.001 0.000 0.800 252 E CB -0.092 29.634 29.700 0.044 0.000 0.756 252 E HN 0.324 nan 8.360 nan 0.000 0.449 253 I N 1.322 121.886 120.570 -0.010 0.000 2.248 253 I HA -0.292 3.883 4.170 0.007 0.000 0.248 253 I C 2.555 178.729 176.117 0.094 0.000 1.107 253 I CA 1.001 62.309 61.300 0.013 0.000 1.373 253 I CB -0.169 37.819 38.000 -0.020 0.000 1.055 253 I HN 0.199 nan 8.210 nan 0.000 0.418 254 I N 0.357 120.995 120.570 0.113 0.000 2.353 254 I HA -0.284 3.891 4.170 0.007 0.000 0.248 254 I C 2.475 178.688 176.117 0.161 0.000 1.119 254 I CA 1.406 62.832 61.300 0.209 0.000 1.417 254 I CB 0.013 38.147 38.000 0.223 0.000 1.078 254 I HN 0.105 nan 8.210 nan 0.000 0.421 255 K N 1.098 121.549 120.400 0.085 0.000 1.974 255 K HA -0.161 4.163 4.320 0.007 0.000 0.211 255 K C 1.989 178.610 176.600 0.035 0.000 1.039 255 K CA 1.645 57.964 56.287 0.053 0.000 0.947 255 K CB -0.325 32.191 32.500 0.027 0.000 0.735 255 K HN 0.106 nan 8.250 nan 0.000 0.441 256 E N 0.207 120.417 120.200 0.017 0.000 2.187 256 E HA -0.153 4.202 4.350 0.007 0.000 0.199 256 E C 1.888 178.469 176.600 -0.031 0.000 1.004 256 E CA 1.126 57.522 56.400 -0.006 0.000 0.813 256 E CB -0.227 29.465 29.700 -0.013 0.000 0.736 256 E HN 0.192 nan 8.360 nan 0.000 0.468 257 V N -0.774 119.115 119.914 -0.043 0.000 3.064 257 V HA -0.087 4.038 4.120 0.007 0.000 0.215 257 V C 1.477 177.457 176.094 -0.190 0.000 1.167 257 V CA 0.535 62.732 62.300 -0.171 0.000 1.286 257 V CB -0.918 30.723 31.823 -0.304 0.000 1.103 257 V HN 0.056 nan 8.190 nan 0.000 0.510 258 Y N 2.071 122.372 120.300 0.002 0.000 2.749 258 Y HA 0.230 4.784 4.550 0.007 0.000 0.321 258 Y C 1.875 177.785 175.900 0.017 0.000 1.195 258 Y CA 0.646 58.751 58.100 0.009 0.000 1.338 258 Y CB -1.250 37.214 38.460 0.008 0.000 1.017 258 Y HN 0.546 nan 8.280 nan 0.000 0.517 259 G N 0.738 109.598 108.800 0.099 0.000 2.422 259 G HA2 -0.300 3.665 3.960 0.007 0.000 0.301 259 G HA3 -0.300 3.665 3.960 0.007 0.000 0.301 259 G C 0.144 175.094 174.900 0.084 0.000 0.981 259 G CA 0.268 45.410 45.100 0.071 0.000 0.994 259 G HN 0.213 nan 8.290 nan 0.000 0.514 260 K N -0.495 119.970 120.400 0.108 0.000 2.395 260 K HA 0.476 4.800 4.320 0.007 0.000 0.247 260 K C 0.131 176.766 176.600 0.057 0.000 0.973 260 K CA -0.868 55.468 56.287 0.083 0.000 0.828 260 K CB 2.082 34.644 32.500 0.104 0.000 1.272 260 K HN 0.386 nan 8.250 nan 0.000 0.439 261 E N 0.458 120.669 120.200 0.018 0.000 2.318 261 E HA 0.437 4.791 4.350 0.007 0.000 0.265 261 E C -0.846 175.711 176.600 -0.072 0.000 1.069 261 E CA -0.573 55.818 56.400 -0.016 0.000 0.893 261 E CB 1.186 30.870 29.700 -0.026 0.000 1.076 261 E HN 0.601 nan 8.360 nan 0.000 0.414 262 A N 3.820 126.561 122.820 -0.132 0.000 2.354 262 A HA 0.395 4.720 4.320 0.007 0.000 0.269 262 A C -2.216 175.127 177.584 -0.401 0.000 1.109 262 A CA -1.346 50.476 52.037 -0.358 0.000 0.800 262 A CB 0.193 18.971 19.000 -0.370 0.000 1.045 262 A HN 0.501 nan 8.150 nan 0.000 0.489 263 P HA 0.214 nan 4.420 nan 0.000 0.274 263 P C -0.205 176.963 177.300 -0.220 0.000 1.231 263 P CA -0.379 62.463 63.100 -0.430 0.000 0.790 263 P CB 0.672 31.999 31.700 -0.621 0.000 0.951 264 L N 1.778 122.993 121.223 -0.013 0.000 2.483 264 L HA 0.271 4.616 4.340 0.007 0.000 0.275 264 L C 0.377 177.311 176.870 0.106 0.000 1.220 264 L CA 1.046 55.954 54.840 0.113 0.000 0.833 264 L CB 0.293 42.469 42.059 0.196 0.000 1.102 264 L HN 0.496 nan 8.230 nan 0.000 0.490 265 S N 3.688 119.394 115.700 0.010 0.000 2.704 265 S HA 0.797 5.272 4.470 0.007 0.000 0.296 265 S C -1.426 173.193 174.600 0.033 0.000 1.138 265 S CA -0.788 57.305 58.200 -0.179 0.000 0.875 265 S CB 0.945 63.793 63.200 -0.587 0.000 1.151 265 S HN 0.787 nan 8.310 nan 0.000 0.500 266 L N 2.517 123.721 121.223 -0.031 0.000 2.526 266 L HA 0.497 4.841 4.340 0.007 0.000 0.263 266 L C -1.057 175.803 176.870 -0.017 0.000 0.943 266 L CA -0.432 54.456 54.840 0.080 0.000 0.859 266 L CB 1.968 44.230 42.059 0.339 0.000 1.313 266 L HN 0.831 nan 8.230 nan 0.000 0.406 267 M N 4.656 124.214 119.600 -0.071 0.000 2.146 267 M HA 0.351 4.836 4.480 0.007 0.000 0.357 267 M C -1.544 174.678 176.300 -0.131 0.000 1.261 267 M CA -0.426 54.773 55.300 -0.168 0.000 1.106 267 M CB 0.623 33.138 32.600 -0.142 0.000 1.612 267 M HN 0.473 nan 8.290 nan 0.000 0.470 268 Y N 2.464 122.741 120.300 -0.038 0.000 2.393 268 Y HA 0.643 5.198 4.550 0.007 0.000 0.341 268 Y C -0.397 175.489 175.900 -0.024 0.000 0.988 268 Y CA -1.292 56.774 58.100 -0.056 0.000 1.078 268 Y CB 0.564 39.004 38.460 -0.034 0.000 1.203 268 Y HN 0.505 nan 8.280 nan 0.000 0.453 269 E N 2.154 122.423 120.200 0.115 0.000 2.620 269 E HA 0.133 4.488 4.350 0.007 0.000 0.255 269 E C -0.782 175.943 176.600 0.209 0.000 1.346 269 E CA -0.704 55.763 56.400 0.110 0.000 1.013 269 E CB 0.640 30.378 29.700 0.064 0.000 1.131 269 E HN 0.752 nan 8.360 nan 0.000 0.608 270 F N 0.566 120.536 119.950 0.034 0.000 2.589 270 F HA 0.067 4.598 4.527 0.007 0.000 0.352 270 F C -0.240 175.562 175.800 0.003 0.000 1.168 270 F CA -0.014 58.011 58.000 0.043 0.000 1.353 270 F CB 0.484 39.490 39.000 0.011 0.000 1.116 270 F HN -0.069 nan 8.300 nan 0.000 0.608 271 V N 5.367 124.775 119.914 -0.843 0.000 2.482 271 V HA 0.764 4.889 4.120 0.007 0.000 0.295 271 V C 0.132 175.608 176.094 -1.030 0.000 1.026 271 V CA 0.028 61.889 62.300 -0.730 0.000 0.856 271 V CB 0.661 32.277 31.823 -0.346 0.000 1.001 271 V HN 1.145 nan 8.190 nan 0.000 0.424 272 G N 3.919 112.262 108.800 -0.761 0.000 2.782 272 G HA2 0.768 4.732 3.960 0.007 0.000 0.304 272 G HA3 0.768 4.732 3.960 0.007 0.000 0.304 272 G C -1.527 173.277 174.900 -0.161 0.000 1.315 272 G CA -0.730 44.112 45.100 -0.431 0.000 0.791 272 G HN 0.508 nan 8.290 nan 0.000 0.519 273 I N 0.852 121.402 120.570 -0.033 0.000 2.412 273 I HA 0.328 4.502 4.170 0.007 0.000 0.296 273 I C 0.487 176.635 176.117 0.052 0.000 0.987 273 I CA -0.715 60.588 61.300 0.006 0.000 1.180 273 I CB 1.978 40.006 38.000 0.047 0.000 1.340 273 I HN 0.435 nan 8.210 nan 0.000 0.455 274 K N 4.131 124.557 120.400 0.043 0.000 2.469 274 K HA 0.211 4.536 4.320 0.007 0.000 0.274 274 K C 0.859 177.503 176.600 0.073 0.000 0.983 274 K CA 1.022 57.344 56.287 0.059 0.000 0.974 274 K CB 0.353 32.883 32.500 0.051 0.000 0.913 274 K HN 0.922 nan 8.250 nan 0.000 0.493 275 G N 2.085 110.924 108.800 0.066 0.000 2.140 275 G HA2 -0.216 3.748 3.960 0.007 0.000 0.211 275 G HA3 -0.216 3.748 3.960 0.007 0.000 0.211 275 G C -0.464 174.471 174.900 0.058 0.000 1.013 275 G CA 0.257 45.393 45.100 0.059 0.000 0.705 275 G HN 0.612 nan 8.290 nan 0.000 0.508 287 V N 2.489 122.392 119.914 -0.019 0.000 2.568 287 V HA 0.398 4.522 4.120 0.007 0.000 0.276 287 V C -0.814 175.264 176.094 -0.028 0.000 1.002 287 V CA -0.388 61.883 62.300 -0.049 0.000 0.879 287 V CB 0.832 32.626 31.823 -0.049 0.000 1.040 287 V HN 0.559 nan 8.190 nan 0.000 0.457 288 I N 5.494 126.062 120.570 -0.003 0.000 2.395 288 I HA 0.448 4.623 4.170 0.007 0.000 0.289 288 I C -0.096 176.044 176.117 0.038 0.000 1.023 288 I CA 0.213 61.515 61.300 0.003 0.000 1.350 288 I CB 1.142 39.136 38.000 -0.010 0.000 1.409 288 I HN 0.300 nan 8.210 nan 0.000 0.507 289 L N 5.521 126.730 121.223 -0.022 0.000 2.298 289 L HA 0.447 4.791 4.340 0.007 0.000 0.268 289 L C 1.005 177.768 176.870 -0.178 0.000 1.010 289 L CA -0.361 54.462 54.840 -0.029 0.000 0.812 289 L CB 1.051 43.089 42.059 -0.035 0.000 1.331 289 L HN 0.481 nan 8.230 nan 0.000 0.450 290 L N -0.377 120.671 121.223 -0.292 0.000 2.141 290 L HA -0.139 4.206 4.340 0.007 0.000 0.209 290 L C 2.177 178.442 176.870 -1.008 0.000 1.094 290 L CA 0.875 55.278 54.840 -0.728 0.000 0.763 290 L CB -0.238 41.322 42.059 -0.830 0.000 0.908 290 L HN 0.742 nan 8.230 nan 0.000 0.437 291 S N -0.411 114.991 115.700 -0.497 0.000 2.383 291 S HA -0.203 4.271 4.470 0.007 0.000 0.229 291 S C 1.521 176.026 174.600 -0.159 0.000 1.030 291 S CA 1.293 59.352 58.200 -0.236 0.000 1.002 291 S CB -0.283 62.865 63.200 -0.087 0.000 0.829 291 S HN 0.463 nan 8.310 nan 0.000 0.467 292 D N 1.496 121.799 120.400 -0.163 0.000 2.078 292 D HA -0.072 4.573 4.640 0.007 0.000 0.193 292 D C 2.000 178.277 176.300 -0.039 0.000 0.990 292 D CA 1.031 54.998 54.000 -0.056 0.000 0.827 292 D CB -0.357 40.419 40.800 -0.040 0.000 0.975 292 D HN 0.313 nan 8.370 nan 0.000 0.451 293 L N 0.152 121.285 121.223 -0.150 0.000 2.079 293 L HA -0.198 4.146 4.340 0.007 0.000 0.210 293 L C 2.574 179.466 176.870 0.037 0.000 1.081 293 L CA 1.079 55.853 54.840 -0.109 0.000 0.752 293 L CB -0.691 41.261 42.059 -0.177 0.000 0.896 293 L HN 0.176 nan 8.230 nan 0.000 0.433 294 Y N 0.157 120.436 120.300 -0.036 0.000 2.483 294 Y HA -0.221 4.333 4.550 0.008 0.000 0.291 294 Y C 2.415 178.332 175.900 0.029 0.000 1.143 294 Y CA 0.175 58.263 58.100 -0.020 0.000 1.289 294 Y CB -0.227 38.208 38.460 -0.042 0.000 0.983 294 Y HN 0.322 nan 8.280 nan 0.000 0.556 295 E N -0.611 119.708 120.200 0.199 0.000 2.268 295 E HA -0.129 4.225 4.350 0.007 0.000 0.195 295 E C 1.490 178.215 176.600 0.209 0.000 0.995 295 E CA 0.917 57.429 56.400 0.187 0.000 0.836 295 E CB 0.196 30.018 29.700 0.204 0.000 0.763 295 E HN 0.234 nan 8.360 nan 0.000 0.491 296 V N 0.005 120.023 119.914 0.174 0.000 3.359 296 V HA 0.137 4.261 4.120 0.007 0.000 0.270 296 V C -0.291 175.912 176.094 0.181 0.000 1.583 296 V CA 0.043 62.456 62.300 0.188 0.000 1.019 296 V CB 0.870 32.736 31.823 0.072 0.000 0.831 296 V HN 0.019 nan 8.190 nan 0.000 0.426 297 L N 0.982 122.286 121.223 0.135 0.000 2.346 297 L HA 0.522 4.867 4.340 0.007 0.000 0.276 297 L C 0.066 177.007 176.870 0.119 0.000 1.006 297 L CA -0.418 54.474 54.840 0.087 0.000 0.817 297 L CB 1.951 43.978 42.059 -0.052 0.000 1.272 297 L HN 0.131 nan 8.230 nan 0.000 0.421 298 E N 4.287 124.553 120.200 0.110 0.000 2.413 298 E HA 0.004 4.359 4.350 0.007 0.000 0.263 298 E C -1.452 175.137 176.600 -0.019 0.000 1.015 298 E CA -1.389 55.063 56.400 0.085 0.000 0.916 298 E CB 0.846 30.657 29.700 0.185 0.000 0.947 298 E HN 0.380 nan 8.360 nan 0.000 0.440 299 P HA -0.204 nan 4.420 nan 0.000 0.216 299 P C 1.311 178.593 177.300 -0.031 0.000 1.150 299 P CA 1.416 64.445 63.100 -0.117 0.000 0.837 299 P CB 0.076 31.618 31.700 -0.263 0.000 0.786 300 G N 0.454 109.277 108.800 0.038 0.000 2.469 300 G HA2 -0.256 3.709 3.960 0.007 0.000 0.220 300 G HA3 -0.256 3.709 3.960 0.007 0.000 0.220 300 G C 1.529 176.391 174.900 -0.063 0.000 1.136 300 G CA 0.687 45.879 45.100 0.153 0.000 0.759 300 G HN 0.269 nan 8.290 nan 0.000 0.562 301 L N 0.720 121.685 121.223 -0.431 0.000 2.156 301 L HA 0.113 4.457 4.340 0.007 0.000 0.208 301 L C 2.826 179.503 176.870 -0.323 0.000 1.095 301 L CA 1.129 55.435 54.840 -0.890 0.000 0.770 301 L CB -0.290 41.189 42.059 -0.967 0.000 0.914 301 L HN 0.068 nan 8.230 nan 0.000 0.439 302 V N -0.060 119.771 119.914 -0.138 0.000 2.343 302 V HA -0.260 3.865 4.120 0.007 0.000 0.247 302 V C 2.708 178.844 176.094 0.071 0.000 1.051 302 V CA 1.962 64.262 62.300 0.000 0.000 1.036 302 V CB -0.726 31.121 31.823 0.039 0.000 0.654 302 V HN 0.439 nan 8.190 nan 0.000 0.451 303 R N -1.034 119.499 120.500 0.056 0.000 2.081 303 R HA -0.172 4.172 4.340 0.007 0.000 0.235 303 R C 2.248 178.656 176.300 0.179 0.000 1.131 303 R CA 1.907 58.086 56.100 0.132 0.000 0.960 303 R CB -0.504 29.945 30.300 0.248 0.000 0.856 303 R HN 0.501 nan 8.270 nan 0.000 0.436 304 F N 1.478 121.437 119.950 0.016 0.000 2.134 304 F HA -0.113 4.418 4.527 0.007 0.000 0.299 304 F C 1.987 177.815 175.800 0.047 0.000 1.097 304 F CA 1.164 59.200 58.000 0.059 0.000 1.264 304 F CB -0.206 38.773 39.000 -0.034 0.000 1.001 304 F HN -0.119 nan 8.300 nan 0.000 0.479 305 I N -1.170 119.368 120.570 -0.053 0.000 2.226 305 I HA -0.358 3.817 4.170 0.007 0.000 0.245 305 I C 2.033 178.095 176.117 -0.092 0.000 1.100 305 I CA 1.438 62.678 61.300 -0.100 0.000 1.374 305 I CB -0.650 37.278 38.000 -0.121 0.000 1.057 305 I HN 0.096 nan 8.210 nan 0.000 0.413 306 Y N 0.480 120.601 120.300 -0.299 0.000 2.293 306 Y HA -0.124 4.430 4.550 0.007 0.000 0.291 306 Y C 2.534 178.352 175.900 -0.136 0.000 1.137 306 Y CA 1.198 59.019 58.100 -0.464 0.000 1.202 306 Y CB -0.449 37.242 38.460 -1.281 0.000 0.990 306 Y HN 0.111 nan 8.280 nan 0.000 0.537 307 A N 0.542 123.441 122.820 0.131 0.000 2.021 307 A HA -0.088 4.237 4.320 0.007 0.000 0.216 307 A C 2.198 179.905 177.584 0.205 0.000 1.163 307 A CA 1.075 53.333 52.037 0.368 0.000 0.676 307 A CB -0.435 18.771 19.000 0.343 0.000 0.818 307 A HN 0.528 nan 8.150 nan 0.000 0.453 308 R N -0.937 119.519 120.500 -0.074 0.000 2.193 308 R HA 0.036 4.380 4.340 0.007 0.000 0.213 308 R C -0.184 176.072 176.300 -0.074 0.000 1.055 308 R CA 0.448 56.440 56.100 -0.179 0.000 0.995 308 R CB -0.460 29.508 30.300 -0.554 0.000 0.893 308 R HN 0.502 nan 8.270 nan 0.000 0.459 309 H N 1.018 120.086 119.070 -0.004 0.000 2.481 309 H HA 0.327 4.887 4.556 0.008 0.000 0.339 309 H C -0.354 174.959 175.328 -0.026 0.000 1.131 309 H CA -0.572 55.453 56.048 -0.038 0.000 1.301 309 H CB 1.065 30.747 29.762 -0.135 0.000 1.476 309 H HN -0.019 nan 8.280 nan 0.000 0.529 310 R N 3.191 123.653 120.500 -0.062 0.000 2.490 310 R HA 0.086 4.430 4.340 0.007 0.000 0.280 310 R C -1.626 174.401 176.300 -0.455 0.000 1.077 310 R CA -1.395 54.449 56.100 -0.427 0.000 1.065 310 R CB 0.266 30.405 30.300 -0.269 0.000 1.003 310 R HN 0.542 nan 8.270 nan 0.000 0.470 311 P HA -0.201 nan 4.420 nan 0.000 0.216 311 P C -0.107 177.080 177.300 -0.188 0.000 1.150 311 P CA 1.423 64.260 63.100 -0.439 0.000 0.843 311 P CB 0.068 31.443 31.700 -0.541 0.000 0.787 312 N N -1.532 117.044 118.700 -0.208 0.000 2.421 312 N HA -0.016 4.728 4.740 0.007 0.000 0.201 312 N C 0.305 175.766 175.510 -0.082 0.000 1.198 312 N CA 0.148 53.127 53.050 -0.119 0.000 0.838 312 N CB -0.234 38.181 38.487 -0.120 0.000 1.011 312 N HN 0.061 nan 8.380 nan 0.000 0.463 313 K N 1.034 121.387 120.400 -0.078 0.000 2.376 313 K HA 0.186 4.510 4.320 0.007 0.000 0.257 313 K C -0.860 175.731 176.600 -0.015 0.000 0.939 313 K CA -0.526 55.743 56.287 -0.029 0.000 0.809 313 K CB 1.439 33.931 32.500 -0.012 0.000 1.121 313 K HN 0.147 nan 8.250 nan 0.000 0.425 314 E N 3.024 123.233 120.200 0.014 0.000 2.413 314 E HA 0.038 4.392 4.350 0.007 0.000 0.263 314 E C -0.318 176.229 176.600 -0.089 0.000 1.015 314 E CA 0.257 56.669 56.400 0.020 0.000 0.916 314 E CB 0.824 30.597 29.700 0.122 0.000 0.947 314 E HN 0.415 nan 8.360 nan 0.000 0.440 315 I N 3.755 124.176 120.570 -0.250 0.000 2.337 315 I HA 0.114 4.288 4.170 0.007 0.000 0.285 315 I C -0.153 175.778 176.117 -0.310 0.000 1.041 315 I CA -0.510 60.490 61.300 -0.500 0.000 1.199 315 I CB 0.515 38.038 38.000 -0.796 0.000 1.370 315 I HN 0.099 nan 8.210 nan 0.000 0.470 316 K N 7.908 128.213 120.400 -0.158 0.000 2.290 316 K HA 0.467 4.791 4.320 0.007 0.000 0.250 316 K C -0.284 176.270 176.600 -0.077 0.000 1.092 316 K CA -0.455 55.793 56.287 -0.065 0.000 1.006 316 K CB 0.930 33.446 32.500 0.026 0.000 1.549 316 K HN 0.564 nan 8.250 nan 0.000 0.436 317 I N 1.880 122.374 120.570 -0.128 0.000 2.505 317 I HA -0.061 4.113 4.170 0.007 0.000 0.287 317 I C 0.788 176.875 176.117 -0.050 0.000 1.104 317 I CA -0.031 61.203 61.300 -0.110 0.000 1.387 317 I CB 0.292 38.200 38.000 -0.153 0.000 1.404 317 I HN 0.259 nan 8.210 nan 0.000 0.528 318 D N 7.983 128.367 120.400 -0.026 0.000 2.435 318 D HA 0.128 4.773 4.640 0.007 0.000 0.230 318 D C 0.630 176.935 176.300 0.009 0.000 1.215 318 D CA -0.022 53.988 54.000 0.016 0.000 0.947 318 D CB 0.702 41.522 40.800 0.032 0.000 1.048 318 D HN 0.465 nan 8.370 nan 0.000 0.512 319 L N 2.610 123.841 121.223 0.014 0.000 2.627 319 L HA 0.239 4.584 4.340 0.007 0.000 0.232 319 L C 1.563 178.568 176.870 0.224 0.000 1.150 319 L CA -0.333 54.484 54.840 -0.038 0.000 0.917 319 L CB 0.131 42.011 42.059 -0.298 0.000 1.104 319 L HN 0.309 nan 8.230 nan 0.000 0.445 320 G N -0.274 108.696 108.800 0.284 0.000 3.182 320 G HA2 0.108 4.072 3.960 0.007 0.000 0.167 320 G HA3 0.108 4.072 3.960 0.007 0.000 0.167 320 G C 0.644 175.883 174.900 0.566 0.000 1.537 320 G CA -0.447 44.907 45.100 0.423 0.000 1.046 320 G HN -0.016 nan 8.290 nan 0.000 0.580 321 L N 1.140 122.608 121.223 0.409 0.000 2.265 321 L HA 0.161 4.505 4.340 0.007 0.000 0.215 321 L C 2.570 179.563 176.870 0.206 0.000 1.117 321 L CA 1.917 56.995 54.840 0.397 0.000 0.782 321 L CB -0.530 41.684 42.059 0.258 0.000 0.914 321 L HN 0.436 nan 8.230 nan 0.000 0.441 322 G N -1.160 107.725 108.800 0.141 0.000 2.848 322 G HA2 -0.149 3.816 3.960 0.007 0.000 0.208 322 G HA3 -0.149 3.816 3.960 0.007 0.000 0.208 322 G C 1.548 176.441 174.900 -0.011 0.000 1.152 322 G CA 0.307 45.443 45.100 0.059 0.000 0.789 322 G HN 0.460 nan 8.290 nan 0.000 0.531 323 I N 0.168 120.699 120.570 -0.065 0.000 2.676 323 I HA 0.005 4.179 4.170 0.007 0.000 0.259 323 I C 2.364 178.324 176.117 -0.262 0.000 1.194 323 I CA 0.381 61.539 61.300 -0.236 0.000 1.473 323 I CB 0.163 37.879 38.000 -0.474 0.000 1.096 323 I HN 0.143 nan 8.210 nan 0.000 0.443 324 L N 0.388 121.482 121.223 -0.215 0.000 2.046 324 L HA -0.227 4.118 4.340 0.007 0.000 0.208 324 L C 2.031 178.903 176.870 0.002 0.000 1.077 324 L CA 1.238 56.012 54.840 -0.110 0.000 0.747 324 L CB -0.906 41.132 42.059 -0.036 0.000 0.896 324 L HN 0.301 nan 8.230 nan 0.000 0.432 325 N N -0.017 118.688 118.700 0.007 0.000 2.354 325 N HA -0.104 4.640 4.740 0.007 0.000 0.179 325 N C 1.767 177.298 175.510 0.035 0.000 1.021 325 N CA 0.696 53.767 53.050 0.034 0.000 0.887 325 N CB -0.197 38.309 38.487 0.033 0.000 0.974 325 N HN 0.132 nan 8.380 nan 0.000 0.437 326 L N -0.002 121.214 121.223 -0.011 0.000 2.017 326 L HA -0.121 4.224 4.340 0.007 0.000 0.208 326 L C 1.779 178.615 176.870 -0.056 0.000 1.073 326 L CA 1.593 56.402 54.840 -0.051 0.000 0.745 326 L CB -0.669 41.297 42.059 -0.155 0.000 0.894 326 L HN 0.108 nan 8.230 nan 0.000 0.432 327 Y N -0.298 119.939 120.300 -0.106 0.000 2.242 327 Y HA -0.225 4.329 4.550 0.007 0.000 0.291 327 Y C 2.437 178.378 175.900 0.070 0.000 1.137 327 Y CA 1.626 59.712 58.100 -0.023 0.000 1.181 327 Y CB -0.215 38.165 38.460 -0.133 0.000 0.989 327 Y HN 0.267 nan 8.280 nan 0.000 0.527 328 D N -0.151 120.360 120.400 0.184 0.000 2.117 328 D HA -0.199 4.445 4.640 0.007 0.000 0.197 328 D C 1.995 178.348 176.300 0.088 0.000 0.987 328 D CA 1.399 55.474 54.000 0.125 0.000 0.829 328 D CB -0.282 40.573 40.800 0.092 0.000 0.961 328 D HN 0.487 nan 8.370 nan 0.000 0.460 329 E N -0.519 119.739 120.200 0.096 0.000 2.106 329 E HA -0.175 4.179 4.350 0.007 0.000 0.192 329 E C 1.969 178.613 176.600 0.072 0.000 0.984 329 E CA 0.399 56.856 56.400 0.095 0.000 0.806 329 E CB -0.159 29.625 29.700 0.141 0.000 0.750 329 E HN 0.133 nan 8.360 nan 0.000 0.458 330 F N 2.105 121.979 119.950 -0.126 0.000 2.134 330 F HA -0.114 4.418 4.527 0.008 0.000 0.299 330 F C 1.823 177.445 175.800 -0.296 0.000 1.097 330 F CA 1.750 59.541 58.000 -0.348 0.000 1.264 330 F CB -0.190 38.627 39.000 -0.306 0.000 1.001 330 F HN 0.034 nan 8.300 nan 0.000 0.479 331 E N -0.017 120.085 120.200 -0.164 0.000 2.072 331 E HA -0.228 4.127 4.350 0.007 0.000 0.191 331 E C 2.208 178.680 176.600 -0.213 0.000 0.985 331 E CA 1.170 57.427 56.400 -0.240 0.000 0.801 331 E CB -0.221 29.451 29.700 -0.046 0.000 0.750 331 E HN 0.353 nan 8.360 nan 0.000 0.452 332 K N 0.851 121.182 120.400 -0.116 0.000 2.063 332 K HA -0.164 4.161 4.320 0.007 0.000 0.208 332 K C 2.034 178.553 176.600 -0.136 0.000 1.048 332 K CA 1.208 57.446 56.287 -0.083 0.000 0.928 332 K CB -0.015 32.470 32.500 -0.024 0.000 0.713 332 K HN -0.043 nan 8.250 nan 0.000 0.442 333 V N 1.294 121.080 119.914 -0.213 0.000 2.407 333 V HA -0.216 3.909 4.120 0.007 0.000 0.248 333 V C 2.187 178.003 176.094 -0.463 0.000 1.055 333 V CA 2.005 64.137 62.300 -0.280 0.000 1.049 333 V CB -0.414 31.205 31.823 -0.340 0.000 0.662 333 V HN 0.435 nan 8.190 nan 0.000 0.455 334 E N -0.172 119.651 120.200 -0.627 0.000 2.077 334 E HA -0.218 4.136 4.350 0.007 0.000 0.193 334 E C 2.490 179.070 176.600 -0.034 0.000 0.989 334 E CA 1.206 57.272 56.400 -0.556 0.000 0.800 334 E CB -0.013 29.359 29.700 -0.547 0.000 0.746 334 E HN 0.531 nan 8.360 nan 0.000 0.452 335 R N 0.166 120.620 120.500 -0.077 0.000 2.070 335 R HA -0.134 4.211 4.340 0.007 0.000 0.232 335 R C 2.509 178.856 176.300 0.078 0.000 1.138 335 R CA 1.640 57.752 56.100 0.020 0.000 0.936 335 R CB -0.521 29.763 30.300 -0.027 0.000 0.839 335 R HN 0.249 nan 8.270 nan 0.000 0.429 336 I N -0.081 120.502 120.570 0.022 0.000 2.248 336 I HA -0.347 3.828 4.170 0.007 0.000 0.248 336 I C 2.401 178.558 176.117 0.066 0.000 1.107 336 I CA 1.452 62.773 61.300 0.033 0.000 1.373 336 I CB -0.432 37.579 38.000 0.019 0.000 1.055 336 I HN 0.190 nan 8.210 nan 0.000 0.418 337 Y N 1.294 121.560 120.300 -0.057 0.000 2.181 337 Y HA -0.203 4.352 4.550 0.008 0.000 0.288 337 Y C 1.768 177.580 175.900 -0.146 0.000 1.146 337 Y CA 1.432 59.471 58.100 -0.102 0.000 1.164 337 Y CB -0.341 38.039 38.460 -0.133 0.000 0.982 337 Y HN 0.013 nan 8.280 nan 0.000 0.515 338 F N 0.810 120.728 119.950 -0.053 0.000 2.664 338 F HA 0.330 4.862 4.527 0.007 0.000 0.301 338 F C 1.426 177.165 175.800 -0.101 0.000 1.126 338 F CA 0.181 58.109 58.000 -0.120 0.000 1.373 338 F CB -0.460 38.530 39.000 -0.018 0.000 1.042 338 F HN 0.091 nan 8.300 nan 0.000 0.535 339 G N 1.039 109.862 108.800 0.038 0.000 2.220 339 G HA2 -0.176 3.788 3.960 0.007 0.000 0.248 339 G HA3 -0.176 3.788 3.960 0.007 0.000 0.248 339 G C 0.140 175.062 174.900 0.036 0.000 0.791 339 G CA 0.471 45.580 45.100 0.015 0.000 1.197 339 G HN 0.302 nan 8.290 nan 0.000 0.336 340 V N 1.217 121.153 119.914 0.035 0.000 3.172 340 V HA 0.523 4.647 4.120 0.007 0.000 0.343 340 V C 0.168 176.265 176.094 0.005 0.000 1.429 340 V CA 0.801 63.111 62.300 0.018 0.000 1.149 340 V CB 0.649 32.480 31.823 0.013 0.000 1.106 340 V HN 1.016 nan 8.190 nan 0.000 0.526 341 E N -0.513 119.691 120.200 0.006 0.000 2.424 341 E HA 0.509 4.863 4.350 0.007 0.000 0.283 341 E C -0.607 175.995 176.600 0.003 0.000 1.194 341 E CA 0.378 56.779 56.400 0.001 0.000 0.938 341 E CB 0.518 30.217 29.700 -0.002 0.000 1.158 341 E HN 0.259 nan 8.360 nan 0.000 0.429 348 E N -0.354 119.874 120.200 0.046 0.000 1.448 348 E HA -0.060 4.295 4.350 0.007 0.000 0.223 348 E C 0.920 177.541 176.600 0.034 0.000 1.059 348 E CA 0.345 56.766 56.400 0.035 0.000 1.247 348 E CB -0.300 29.410 29.700 0.017 0.000 4.496 348 E HN 0.053 nan 8.360 nan 0.000 0.768 349 E N 1.027 121.252 120.200 0.041 0.000 2.122 349 E HA 0.019 4.374 4.350 0.007 0.000 0.190 349 E C 1.951 178.598 176.600 0.079 0.000 0.977 349 E CA 0.592 57.018 56.400 0.043 0.000 0.820 349 E CB 0.239 29.973 29.700 0.056 0.000 0.770 349 E HN 0.314 nan 8.360 nan 0.000 0.462 350 L N 0.685 121.975 121.223 0.112 0.000 2.217 350 L HA -0.039 4.306 4.340 0.007 0.000 0.211 350 L C 2.825 179.824 176.870 0.215 0.000 1.107 350 L CA 0.597 55.548 54.840 0.185 0.000 0.783 350 L CB -0.365 41.821 42.059 0.213 0.000 0.919 350 L HN 0.165 nan 8.230 nan 0.000 0.442 351 R N 0.731 121.330 120.500 0.164 0.000 2.080 351 R HA -0.259 4.085 4.340 0.007 0.000 0.236 351 R C 2.421 178.821 176.300 0.167 0.000 1.137 351 R CA 1.955 58.178 56.100 0.206 0.000 0.943 351 R CB -0.138 30.278 30.300 0.194 0.000 0.846 351 R HN 0.076 nan 8.270 nan 0.000 0.431 352 R N 0.163 120.722 120.500 0.098 0.000 2.115 352 R HA -0.033 4.312 4.340 0.007 0.000 0.230 352 R C 1.902 178.215 176.300 0.021 0.000 1.111 352 R CA 2.247 58.365 56.100 0.030 0.000 0.976 352 R CB -0.697 29.587 30.300 -0.027 0.000 0.870 352 R HN 0.285 nan 8.270 nan 0.000 0.445 353 T N -0.069 114.542 114.554 0.094 0.000 2.746 353 T HA -0.171 4.184 4.350 0.007 0.000 0.267 353 T C 1.269 176.117 174.700 0.247 0.000 1.039 353 T CA 1.602 63.777 62.100 0.126 0.000 1.142 353 T CB -0.540 68.426 68.868 0.163 0.000 0.866 353 T HN 0.293 nan 8.240 nan 0.000 0.444 354 Y N 2.044 122.452 120.300 0.179 0.000 2.200 354 Y HA -0.082 4.472 4.550 0.007 0.000 0.290 354 Y C 2.200 178.026 175.900 -0.122 0.000 1.137 354 Y CA 1.080 59.237 58.100 0.095 0.000 1.163 354 Y CB -0.362 38.038 38.460 -0.100 0.000 0.988 354 Y HN 0.315 nan 8.280 nan 0.000 0.518 355 E N 0.255 120.293 120.200 -0.270 0.000 2.005 355 E HA -0.272 4.082 4.350 0.007 0.000 0.198 355 E C 2.250 178.674 176.600 -0.293 0.000 1.010 355 E CA 1.872 58.063 56.400 -0.349 0.000 0.825 355 E CB -0.669 28.954 29.700 -0.128 0.000 0.769 355 E HN 0.419 nan 8.360 nan 0.000 0.456 356 L N 1.339 122.383 121.223 -0.299 0.000 2.103 356 L HA -0.277 4.067 4.340 0.007 0.000 0.215 356 L C 2.692 179.327 176.870 -0.391 0.000 1.080 356 L CA 1.589 56.076 54.840 -0.589 0.000 0.764 356 L CB -0.735 41.072 42.059 -0.420 0.000 0.890 356 L HN 0.241 nan 8.230 nan 0.000 0.435 357 S N -1.708 113.959 115.700 -0.056 0.000 2.515 357 S HA -0.003 4.472 4.470 0.007 0.000 0.231 357 S C 1.043 175.720 174.600 0.128 0.000 0.987 357 S CA 0.292 58.616 58.200 0.208 0.000 0.936 357 S CB -0.107 63.309 63.200 0.361 0.000 0.766 357 S HN 0.216 nan 8.310 nan 0.000 0.528 358 M N 2.304 121.863 119.600 -0.068 0.000 2.151 358 M HA 0.284 4.769 4.480 0.007 0.000 0.349 358 M C -2.090 174.302 176.300 0.152 0.000 1.284 358 M CA -1.954 53.318 55.300 -0.045 0.000 1.173 358 M CB 0.664 33.115 32.600 -0.249 0.000 1.469 358 M HN -0.006 nan 8.290 nan 0.000 0.439 359 P HA -0.130 nan 4.420 nan 0.000 0.216 359 P C -0.292 177.132 177.300 0.207 0.000 1.150 359 P CA 1.566 64.835 63.100 0.282 0.000 0.843 359 P CB 0.291 32.035 31.700 0.074 0.000 0.787 360 K N -0.802 119.667 120.400 0.115 0.000 2.281 360 K HA 0.358 4.682 4.320 0.007 0.000 0.242 360 K C -0.256 176.384 176.600 0.066 0.000 0.971 360 K CA -1.085 55.248 56.287 0.077 0.000 0.834 360 K CB 1.137 33.669 32.500 0.055 0.000 1.181 360 K HN -0.291 nan 8.250 nan 0.000 0.435 361 K N 1.866 122.299 120.400 0.055 0.000 2.484 361 K HA 0.059 4.383 4.320 0.007 0.000 0.280 361 K C -2.422 174.229 176.600 0.086 0.000 1.013 361 K CA -0.914 55.409 56.287 0.060 0.000 1.029 361 K CB -0.350 32.180 32.500 0.050 0.000 0.902 361 K HN 0.219 nan 8.250 nan 0.000 0.481 362 P HA -0.075 nan 4.420 nan 0.000 0.258 362 P C 0.080 177.547 177.300 0.279 0.000 1.214 362 P CA 0.162 63.384 63.100 0.203 0.000 0.872 362 P CB 0.574 32.407 31.700 0.221 0.000 0.890 363 E N 3.905 124.273 120.200 0.280 0.000 2.306 363 E HA -0.085 4.270 4.350 0.007 0.000 0.277 363 E C 0.578 177.409 176.600 0.384 0.000 0.826 363 E CA 0.366 56.911 56.400 0.241 0.000 1.583 363 E CB 0.237 30.029 29.700 0.153 0.000 1.089 363 E HN 0.272 nan 8.360 nan 0.000 0.580 364 R N 0.799 121.452 120.500 0.255 0.000 2.832 364 R HA 0.309 4.654 4.340 0.007 0.000 0.271 364 R C -0.626 175.480 176.300 -0.323 0.000 0.996 364 R CA -0.874 55.291 56.100 0.109 0.000 0.977 364 R CB 0.251 30.557 30.300 0.010 0.000 1.168 364 R HN 0.336 nan 8.270 nan 0.000 0.482 365 L N 1.409 122.012 121.223 -1.034 0.000 2.455 365 L HA 0.156 4.500 4.340 0.007 0.000 0.272 365 L C -0.791 175.808 176.870 -0.452 0.000 1.174 365 L CA 0.072 54.197 54.840 -1.192 0.000 0.869 365 L CB 0.730 42.103 42.059 -1.143 0.000 1.130 365 L HN 0.412 nan 8.230 nan 0.000 0.474 366 V N 5.704 125.442 119.914 -0.292 0.000 2.539 366 V HA 0.594 4.718 4.120 0.007 0.000 0.292 366 V C 0.724 176.751 176.094 -0.112 0.000 1.045 366 V CA -0.682 61.533 62.300 -0.141 0.000 0.945 366 V CB 1.061 32.848 31.823 -0.060 0.000 0.993 366 V HN 1.128 nan 8.190 nan 0.000 0.464 367 A N 4.545 127.323 122.820 -0.070 0.000 2.608 367 A HA 0.025 4.349 4.320 0.007 0.000 0.239 367 A C 0.293 177.866 177.584 -0.018 0.000 1.018 367 A CA 0.602 52.617 52.037 -0.038 0.000 0.766 367 A CB -0.276 18.715 19.000 -0.015 0.000 0.928 367 A HN 0.861 nan 8.150 nan 0.000 0.512 368 Q N 1.079 120.878 119.800 -0.002 0.000 2.381 368 Q HA 0.514 4.858 4.340 0.007 0.000 0.263 368 Q C -0.378 175.659 176.000 0.060 0.000 1.030 368 Q CA -0.292 55.526 55.803 0.024 0.000 0.772 368 Q CB 1.900 30.638 28.738 0.000 0.000 1.232 368 Q HN 0.864 nan 8.270 nan 0.000 0.476 369 A N 4.723 127.574 122.820 0.050 0.000 2.415 369 A HA 0.381 4.706 4.320 0.007 0.000 0.309 369 A C -2.117 175.478 177.584 0.018 0.000 1.356 369 A CA -1.538 50.513 52.037 0.024 0.000 0.998 369 A CB -0.197 18.784 19.000 -0.032 0.000 1.145 369 A HN 0.433 nan 8.150 nan 0.000 0.545 370 P HA -0.123 nan 4.420 nan 0.000 0.255 370 P C 0.544 177.863 177.300 0.033 0.000 1.173 370 P CA 0.380 63.517 63.100 0.061 0.000 0.780 370 P CB 0.173 31.895 31.700 0.037 0.000 0.758 371 F N 5.648 125.507 119.950 -0.152 0.000 2.087 371 F HA -0.280 4.251 4.527 0.007 0.000 0.299 371 F C 2.555 178.230 175.800 -0.209 0.000 1.100 371 F CA 2.122 59.928 58.000 -0.324 0.000 1.226 371 F CB -0.189 38.415 39.000 -0.661 0.000 0.983 371 F HN 0.297 nan 8.300 nan 0.000 0.479 372 R N -0.825 119.743 120.500 0.113 0.000 2.200 372 R HA -0.230 4.115 4.340 0.007 0.000 0.234 372 R C 2.013 178.394 176.300 0.135 0.000 1.127 372 R CA 1.751 57.911 56.100 0.101 0.000 0.989 372 R CB -1.322 29.047 30.300 0.116 0.000 0.869 372 R HN 0.388 nan 8.270 nan 0.000 0.459 373 F N 1.537 121.431 119.950 -0.094 0.000 2.387 373 F HA 0.231 4.762 4.527 0.008 0.000 0.294 373 F C 1.670 177.398 175.800 -0.120 0.000 1.093 373 F CA 0.140 58.080 58.000 -0.100 0.000 1.420 373 F CB 0.010 38.886 39.000 -0.207 0.000 1.086 373 F HN -0.088 nan 8.300 nan 0.000 0.531 374 L N -0.365 120.661 121.223 -0.329 0.000 2.217 374 L HA -0.044 4.300 4.340 0.007 0.000 0.211 374 L C 2.687 179.355 176.870 -0.337 0.000 1.107 374 L CA 0.861 55.429 54.840 -0.452 0.000 0.783 374 L CB -1.092 40.658 42.059 -0.515 0.000 0.919 374 L HN 0.144 nan 8.230 nan 0.000 0.442 375 A N 0.002 122.665 122.820 -0.261 0.000 1.908 375 A HA -0.160 4.165 4.320 0.007 0.000 0.218 375 A C 2.339 179.970 177.584 0.079 0.000 1.181 375 A CA 1.927 53.956 52.037 -0.014 0.000 0.627 375 A CB -0.707 18.421 19.000 0.213 0.000 0.818 375 A HN 0.193 nan 8.150 nan 0.000 0.445 376 V N -0.048 119.935 119.914 0.115 0.000 2.346 376 V HA -0.180 3.945 4.120 0.007 0.000 0.244 376 V C 2.534 178.729 176.094 0.168 0.000 1.037 376 V CA 1.672 64.134 62.300 0.269 0.000 1.029 376 V CB -0.680 31.340 31.823 0.330 0.000 0.663 376 V HN 0.563 nan 8.190 nan 0.000 0.454 377 L N -0.359 120.804 121.223 -0.101 0.000 2.079 377 L HA -0.155 4.190 4.340 0.007 0.000 0.210 377 L C 2.434 179.234 176.870 -0.117 0.000 1.081 377 L CA 1.068 55.808 54.840 -0.166 0.000 0.752 377 L CB -0.670 41.131 42.059 -0.431 0.000 0.896 377 L HN 0.197 nan 8.230 nan 0.000 0.433 378 V N -0.291 119.541 119.914 -0.136 0.000 2.867 378 V HA -0.242 3.883 4.120 0.007 0.000 0.260 378 V C 1.926 177.953 176.094 -0.110 0.000 1.099 378 V CA 1.510 63.735 62.300 -0.125 0.000 1.122 378 V CB -0.369 31.375 31.823 -0.132 0.000 0.708 378 V HN 0.563 nan 8.190 nan 0.000 0.490 379 Q N -0.778 118.950 119.800 -0.121 0.000 2.247 379 Q HA 0.298 4.642 4.340 0.007 0.000 0.204 379 Q C 0.045 175.963 176.000 -0.137 0.000 0.872 379 Q CA -0.115 55.545 55.803 -0.239 0.000 0.951 379 Q CB 0.506 28.889 28.738 -0.591 0.000 1.099 379 Q HN 0.489 nan 8.270 nan 0.000 0.501 380 L N 2.583 123.819 121.223 0.021 0.000 2.350 380 L HA 0.191 4.535 4.340 0.007 0.000 0.275 380 L C -1.122 175.813 176.870 0.109 0.000 1.099 380 L CA -1.697 53.237 54.840 0.156 0.000 0.808 380 L CB 0.334 42.509 42.059 0.192 0.000 1.149 380 L HN -0.020 nan 8.230 nan 0.000 0.442 381 P HA -0.235 nan 4.420 nan 0.000 0.202 381 P C 1.158 178.575 177.300 0.194 0.000 1.121 381 P CA 1.645 64.838 63.100 0.155 0.000 0.939 381 P CB -0.290 31.459 31.700 0.082 0.000 0.761 382 H N 1.620 120.661 119.070 -0.047 0.000 2.685 382 H HA -0.134 4.426 4.556 0.007 0.000 0.296 382 H C 1.195 176.503 175.328 -0.035 0.000 1.042 382 H CA 0.457 56.480 56.048 -0.041 0.000 1.090 382 H CB -1.997 27.738 29.762 -0.045 0.000 1.458 382 H HN 0.061 nan 8.280 nan 0.000 0.700 383 L N 3.138 124.097 121.223 -0.440 0.000 4.305 383 L HA -0.171 4.173 4.340 0.007 0.000 0.522 383 L C 0.766 177.541 176.870 -0.159 0.000 0.928 383 L CA 1.009 55.646 54.840 -0.338 0.000 0.590 383 L CB -1.101 40.708 42.059 -0.416 0.000 0.860 383 L HN 0.734 nan 8.230 nan 0.000 1.016 384 T N -1.495 112.994 114.554 -0.109 0.000 2.862 384 T HA 0.182 4.537 4.350 0.007 0.000 0.276 384 T C 0.976 175.626 174.700 -0.084 0.000 0.974 384 T CA -0.393 61.662 62.100 -0.074 0.000 0.966 384 T CB 1.927 70.767 68.868 -0.047 0.000 1.072 384 T HN 0.627 nan 8.240 nan 0.000 0.538 385 E N -0.032 120.128 120.200 -0.068 0.000 2.085 385 E HA -0.241 4.113 4.350 0.007 0.000 0.194 385 E C 1.930 178.492 176.600 -0.064 0.000 0.994 385 E CA 1.597 57.956 56.400 -0.069 0.000 0.801 385 E CB -0.135 29.534 29.700 -0.052 0.000 0.743 385 E HN 0.813 nan 8.360 nan 0.000 0.453 386 E N 1.055 121.224 120.200 -0.051 0.000 2.070 386 E HA -0.231 4.124 4.350 0.007 0.000 0.197 386 E C 1.526 178.097 176.600 -0.048 0.000 1.004 386 E CA 2.172 58.547 56.400 -0.041 0.000 0.805 386 E CB -0.160 29.521 29.700 -0.032 0.000 0.744 386 E HN 0.348 nan 8.360 nan 0.000 0.451 387 D N -0.098 120.265 120.400 -0.062 0.000 2.149 387 D HA -0.099 4.546 4.640 0.007 0.000 0.201 387 D C 2.174 178.422 176.300 -0.088 0.000 0.972 387 D CA 0.999 54.956 54.000 -0.071 0.000 0.835 387 D CB -0.150 40.592 40.800 -0.096 0.000 0.966 387 D HN 0.342 nan 8.370 nan 0.000 0.476 388 I N 1.190 121.693 120.570 -0.112 0.000 2.226 388 I HA -0.231 3.944 4.170 0.007 0.000 0.245 388 I C 2.494 178.558 176.117 -0.089 0.000 1.100 388 I CA 0.806 62.026 61.300 -0.134 0.000 1.374 388 I CB -0.190 37.713 38.000 -0.162 0.000 1.057 388 I HN -0.066 nan 8.210 nan 0.000 0.413 389 I N 0.767 121.299 120.570 -0.064 0.000 2.208 389 I HA -0.307 3.868 4.170 0.007 0.000 0.245 389 I C 2.230 178.342 176.117 -0.010 0.000 1.097 389 I CA 1.315 62.596 61.300 -0.033 0.000 1.363 389 I CB -0.696 37.287 38.000 -0.029 0.000 1.051 389 I HN 0.304 nan 8.210 nan 0.000 0.413 390 N N 0.949 119.639 118.700 -0.017 0.000 2.036 390 N HA -0.154 4.590 4.740 0.007 0.000 0.195 390 N C 1.939 177.458 175.510 0.016 0.000 1.037 390 N CA 1.372 54.419 53.050 -0.006 0.000 0.855 390 N CB -0.832 37.646 38.487 -0.016 0.000 1.033 390 N HN 0.148 nan 8.380 nan 0.000 0.423 391 V N 1.596 121.520 119.914 0.018 0.000 2.282 391 V HA -0.208 3.916 4.120 0.007 0.000 0.249 391 V C 2.346 178.542 176.094 0.169 0.000 1.057 391 V CA 1.347 63.690 62.300 0.073 0.000 1.032 391 V CB -0.665 31.188 31.823 0.051 0.000 0.645 391 V HN 0.261 nan 8.190 nan 0.000 0.447 392 L N -0.954 120.363 121.223 0.157 0.000 2.131 392 L HA -0.172 4.173 4.340 0.007 0.000 0.210 392 L C 2.302 179.300 176.870 0.213 0.000 1.092 392 L CA 1.465 56.473 54.840 0.280 0.000 0.759 392 L CB -0.465 41.690 42.059 0.160 0.000 0.903 392 L HN 0.289 nan 8.230 nan 0.000 0.435 393 I N -0.350 120.283 120.570 0.105 0.000 2.193 393 I HA -0.261 3.913 4.170 0.007 0.000 0.240 393 I C 2.455 178.593 176.117 0.035 0.000 1.084 393 I CA 1.276 62.609 61.300 0.055 0.000 1.365 393 I CB -0.210 37.804 38.000 0.024 0.000 1.064 393 I HN 0.132 nan 8.210 nan 0.000 0.410 394 K N 0.397 120.816 120.400 0.032 0.000 2.281 394 K HA -0.197 4.128 4.320 0.007 0.000 0.203 394 K C 1.508 178.105 176.600 -0.005 0.000 1.046 394 K CA 1.172 57.457 56.287 -0.004 0.000 0.938 394 K CB -0.038 32.446 32.500 -0.027 0.000 0.737 394 K HN 0.463 nan 8.250 nan 0.000 0.458 395 Q N -0.714 119.113 119.800 0.046 0.000 2.219 395 Q HA 0.118 4.462 4.340 0.007 0.000 0.209 395 Q C 0.128 176.011 176.000 -0.196 0.000 0.854 395 Q CA 0.098 55.895 55.803 -0.009 0.000 0.960 395 Q CB 1.316 30.133 28.738 0.131 0.000 1.116 395 Q HN 0.379 nan 8.270 nan 0.000 0.500 396 G N 1.513 110.246 108.800 -0.112 0.000 2.350 396 G HA2 -0.268 3.696 3.960 0.007 0.000 0.298 396 G HA3 -0.268 3.696 3.960 0.007 0.000 0.298 396 G C 0.203 174.962 174.900 -0.235 0.000 1.037 396 G CA 0.330 45.342 45.100 -0.146 0.000 1.074 396 G HN 0.485 nan 8.290 nan 0.000 0.511 397 H N -0.785 118.313 119.070 0.047 0.000 2.557 397 H HA 0.227 4.788 4.556 0.008 0.000 0.281 397 H C 1.630 176.977 175.328 0.032 0.000 0.990 397 H CA 1.348 57.428 56.048 0.054 0.000 1.278 397 H CB 0.813 30.648 29.762 0.121 0.000 1.451 397 H HN 0.770 nan 8.280 nan 0.000 0.516 398 I N -0.512 120.137 120.570 0.132 0.000 2.730 398 I HA 0.479 4.654 4.170 0.007 0.000 0.298 398 I C -2.763 173.371 176.117 0.028 0.000 1.089 398 I CA -2.531 58.807 61.300 0.064 0.000 1.041 398 I CB 2.841 40.877 38.000 0.060 0.000 1.235 398 I HN -0.270 nan 8.210 nan 0.000 0.423 399 P HA 0.076 nan 4.420 nan 0.000 0.268 399 P C 0.015 177.313 177.300 -0.003 0.000 1.208 399 P CA -0.092 63.004 63.100 -0.006 0.000 0.777 399 P CB 1.295 32.985 31.700 -0.017 0.000 0.875 400 R N 1.331 121.828 120.500 -0.006 0.000 2.066 400 R HA -0.122 4.222 4.340 0.007 0.000 0.232 400 R C 0.251 176.547 176.300 -0.007 0.000 1.131 400 R CA 1.595 57.691 56.100 -0.006 0.000 0.955 400 R CB -0.315 29.980 30.300 -0.008 0.000 0.851 400 R HN 0.599 nan 8.270 nan 0.000 0.432 401 D N 1.149 121.544 120.400 -0.009 0.000 2.456 401 D HA 0.130 4.775 4.640 0.007 0.000 0.219 401 D C -0.733 175.560 176.300 -0.011 0.000 1.126 401 D CA -0.131 53.863 54.000 -0.010 0.000 0.890 401 D CB 0.542 41.336 40.800 -0.009 0.000 1.025 401 D HN 0.102 nan 8.370 nan 0.000 0.511 402 L N 1.875 123.092 121.223 -0.010 0.000 2.292 402 L HA 0.284 4.628 4.340 0.007 0.000 0.284 402 L C 1.369 178.232 176.870 -0.011 0.000 1.065 402 L CA -0.752 54.081 54.840 -0.012 0.000 0.806 402 L CB 1.266 43.320 42.059 -0.009 0.000 1.175 402 L HN 0.432 nan 8.230 nan 0.000 0.431 403 S N 2.610 118.302 115.700 -0.014 0.000 2.650 403 S HA 0.105 4.580 4.470 0.007 0.000 0.251 403 S C 0.915 175.510 174.600 -0.008 0.000 1.325 403 S CA -0.215 57.979 58.200 -0.010 0.000 0.967 403 S CB 0.533 63.726 63.200 -0.012 0.000 1.000 403 S HN 0.634 nan 8.310 nan 0.000 0.584 404 K N 0.154 120.550 120.400 -0.006 0.000 2.186 404 K HA 0.029 4.353 4.320 0.007 0.000 0.202 404 K C 2.278 178.876 176.600 -0.004 0.000 1.052 404 K CA 0.991 57.276 56.287 -0.005 0.000 0.965 404 K CB -0.169 32.330 32.500 -0.003 0.000 0.746 404 K HN 0.749 nan 8.250 nan 0.000 0.457 405 E N 1.374 121.573 120.200 -0.003 0.000 2.107 405 E HA -0.179 4.176 4.350 0.007 0.000 0.191 405 E C 1.175 177.774 176.600 -0.002 0.000 0.982 405 E CA 0.979 57.379 56.400 0.000 0.000 0.809 405 E CB 0.221 29.923 29.700 0.003 0.000 0.756 405 E HN 0.160 nan 8.360 nan 0.000 0.459 406 D N 0.313 120.708 120.400 -0.009 0.000 2.104 406 D HA -0.168 4.476 4.640 0.007 0.000 0.194 406 D C 2.102 178.398 176.300 -0.006 0.000 0.994 406 D CA 1.892 55.885 54.000 -0.011 0.000 0.830 406 D CB -0.180 40.609 40.800 -0.017 0.000 0.959 406 D HN 0.296 nan 8.370 nan 0.000 0.452 407 V N -0.511 119.399 119.914 -0.007 0.000 2.970 407 V HA -0.083 4.041 4.120 0.007 0.000 0.260 407 V C 2.063 178.153 176.094 -0.008 0.000 1.100 407 V CA 1.450 63.745 62.300 -0.009 0.000 1.122 407 V CB -0.234 31.583 31.823 -0.010 0.000 0.721 407 V HN -0.101 nan 8.190 nan 0.000 0.483 408 E N 1.169 121.367 120.200 -0.004 0.000 2.076 408 E HA -0.100 4.254 4.350 0.007 0.000 0.190 408 E C 2.435 179.038 176.600 0.005 0.000 0.979 408 E CA 1.364 57.763 56.400 -0.002 0.000 0.807 408 E CB -0.346 29.354 29.700 -0.001 0.000 0.761 408 E HN 0.600 nan 8.360 nan 0.000 0.454 409 R N -0.314 120.193 120.500 0.012 0.000 2.075 409 R HA -0.067 4.277 4.340 0.007 0.000 0.232 409 R C 2.077 178.394 176.300 0.028 0.000 1.126 409 R CA 1.345 57.464 56.100 0.030 0.000 0.963 409 R CB -0.150 30.171 30.300 0.036 0.000 0.858 409 R HN 0.140 nan 8.270 nan 0.000 0.435 410 V N 1.295 121.214 119.914 0.009 0.000 2.307 410 V HA -0.220 3.904 4.120 0.007 0.000 0.245 410 V C 2.203 178.283 176.094 -0.024 0.000 1.045 410 V CA 1.790 64.085 62.300 -0.008 0.000 1.024 410 V CB -0.384 31.430 31.823 -0.015 0.000 0.651 410 V HN 0.338 nan 8.190 nan 0.000 0.449 411 K N -0.558 119.829 120.400 -0.020 0.000 2.097 411 K HA -0.140 4.184 4.320 0.007 0.000 0.206 411 K C 2.109 178.698 176.600 -0.018 0.000 1.049 411 K CA 1.098 57.369 56.287 -0.026 0.000 0.933 411 K CB -0.226 32.261 32.500 -0.021 0.000 0.717 411 K HN 0.208 nan 8.250 nan 0.000 0.442 412 L N 1.037 122.259 121.223 -0.001 0.000 2.027 412 L HA -0.120 4.224 4.340 0.007 0.000 0.206 412 L C 2.321 179.209 176.870 0.030 0.000 1.074 412 L CA 1.568 56.417 54.840 0.016 0.000 0.745 412 L CB -0.695 41.379 42.059 0.025 0.000 0.898 412 L HN 0.161 nan 8.230 nan 0.000 0.433 413 R N -0.336 120.183 120.500 0.032 0.000 2.152 413 R HA -0.128 4.216 4.340 0.007 0.000 0.232 413 R C 2.272 178.520 176.300 -0.085 0.000 1.117 413 R CA 1.000 57.117 56.100 0.029 0.000 0.981 413 R CB -0.061 30.262 30.300 0.039 0.000 0.870 413 R HN 0.343 nan 8.270 nan 0.000 0.451 414 I N 0.986 121.498 120.570 -0.097 0.000 2.226 414 I HA -0.289 3.885 4.170 0.007 0.000 0.245 414 I C 1.623 177.678 176.117 -0.103 0.000 1.100 414 I CA 1.128 62.342 61.300 -0.143 0.000 1.374 414 I CB -0.385 37.547 38.000 -0.114 0.000 1.057 414 I HN 0.233 nan 8.210 nan 0.000 0.413 415 N N 0.817 119.493 118.700 -0.041 0.000 2.331 415 N HA -0.062 4.683 4.740 0.007 0.000 0.180 415 N C 1.953 177.492 175.510 0.047 0.000 1.019 415 N CA 1.061 54.109 53.050 -0.002 0.000 0.881 415 N CB -0.081 38.412 38.487 0.010 0.000 0.972 415 N HN 0.371 nan 8.380 nan 0.000 0.435 416 L N 0.540 121.808 121.223 0.076 0.000 2.109 416 L HA -0.023 4.321 4.340 0.007 0.000 0.207 416 L C 2.424 179.437 176.870 0.240 0.000 1.086 416 L CA 0.787 55.745 54.840 0.198 0.000 0.760 416 L CB -0.399 41.830 42.059 0.284 0.000 0.910 416 L HN 0.082 nan 8.230 nan 0.000 0.437 417 A N 0.117 122.903 122.820 -0.058 0.000 1.929 417 A HA -0.149 4.175 4.320 0.007 0.000 0.216 417 A C 2.383 179.992 177.584 0.042 0.000 1.176 417 A CA 1.053 52.928 52.037 -0.270 0.000 0.628 417 A CB -0.346 18.213 19.000 -0.734 0.000 0.816 417 A HN 0.287 nan 8.150 nan 0.000 0.444 418 R N -0.161 120.343 120.500 0.007 0.000 2.073 418 R HA -0.116 4.229 4.340 0.007 0.000 0.234 418 R C 1.846 178.200 176.300 0.089 0.000 1.134 418 R CA 1.512 57.625 56.100 0.022 0.000 0.952 418 R CB -0.392 29.904 30.300 -0.007 0.000 0.850 418 R HN 0.493 nan 8.270 nan 0.000 0.433 419 N N 0.121 118.910 118.700 0.147 0.000 2.120 419 N HA -0.212 4.532 4.740 0.007 0.000 0.188 419 N C 1.301 176.997 175.510 0.309 0.000 1.024 419 N CA 1.135 54.304 53.050 0.198 0.000 0.852 419 N CB -0.492 38.132 38.487 0.228 0.000 1.003 419 N HN 0.321 nan 8.380 nan 0.000 0.424 420 W N 1.931 123.370 121.300 0.231 0.000 2.354 420 W HA -0.115 4.550 4.660 0.008 0.000 0.315 420 W C 2.017 178.672 176.519 0.227 0.000 1.206 420 W CA 1.074 58.606 57.345 0.312 0.000 1.290 420 W CB -0.583 29.105 29.460 0.381 0.000 1.152 420 W HN -0.207 nan 8.180 nan 0.000 0.489 421 V N 1.226 121.201 119.914 0.101 0.000 2.332 421 V HA -0.318 3.806 4.120 0.007 0.000 0.248 421 V C 2.304 178.268 176.094 -0.217 0.000 1.055 421 V CA 2.446 64.630 62.300 -0.193 0.000 1.038 421 V CB -1.033 30.781 31.823 -0.015 0.000 0.651 421 V HN 0.104 nan 8.190 nan 0.000 0.450 422 K N 0.128 120.467 120.400 -0.100 0.000 2.103 422 K HA -0.113 4.211 4.320 0.007 0.000 0.204 422 K C 2.123 178.637 176.600 -0.144 0.000 1.052 422 K CA 1.558 57.782 56.287 -0.106 0.000 0.945 422 K CB -0.086 32.381 32.500 -0.054 0.000 0.722 422 K HN 0.434 nan 8.250 nan 0.000 0.443 423 K N -1.999 118.316 120.400 -0.142 0.000 2.306 423 K HA 0.050 4.375 4.320 0.007 0.000 0.200 423 K C 1.035 177.387 176.600 -0.412 0.000 1.083 423 K CA 0.351 56.469 56.287 -0.281 0.000 0.959 423 K CB 0.231 32.529 32.500 -0.335 0.000 0.994 423 K HN 0.055 nan 8.250 nan 0.000 0.492 424 Y N 0.289 120.428 120.300 -0.268 0.000 2.498 424 Y HA 0.425 4.980 4.550 0.008 0.000 0.259 424 Y C 0.598 176.195 175.900 -0.505 0.000 1.086 424 Y CA -0.335 57.599 58.100 -0.276 0.000 1.287 424 Y CB 0.295 38.716 38.460 -0.065 0.000 1.146 424 Y HN -0.024 nan 8.280 nan 0.000 0.523 425 A N 3.574 125.872 122.820 -0.869 0.000 2.511 425 A HA 0.234 4.558 4.320 0.007 0.000 0.242 425 A C -1.926 175.423 177.584 -0.392 0.000 1.069 425 A CA -1.048 50.370 52.037 -1.031 0.000 0.763 425 A CB -0.455 17.631 19.000 -1.523 0.000 1.001 425 A HN 0.063 nan 8.150 nan 0.000 0.498 426 P HA 0.152 nan 4.420 nan 0.000 0.293 426 P C 0.123 177.378 177.300 -0.076 0.000 1.298 426 P CA -0.141 62.916 63.100 -0.072 0.000 0.757 426 P CB 0.590 32.300 31.700 0.016 0.000 1.262 427 E N -0.057 120.121 120.200 -0.037 0.000 2.250 427 E HA -0.070 4.284 4.350 0.007 0.000 0.192 427 E C 1.276 177.875 176.600 -0.001 0.000 0.986 427 E CA 0.822 57.205 56.400 -0.028 0.000 0.849 427 E CB -0.574 29.113 29.700 -0.022 0.000 0.797 427 E HN 0.507 nan 8.360 nan 0.000 0.482 428 D N 1.206 121.612 120.400 0.011 0.000 2.350 428 D HA -0.099 4.546 4.640 0.007 0.000 0.216 428 D C 1.755 178.077 176.300 0.036 0.000 0.968 428 D CA 0.858 54.867 54.000 0.015 0.000 0.894 428 D CB -0.026 40.784 40.800 0.016 0.000 0.909 428 D HN 0.213 nan 8.370 nan 0.000 0.520 429 V N -2.678 117.275 119.914 0.065 0.000 3.643 429 V HA 0.195 4.319 4.120 0.007 0.000 0.280 429 V C 0.584 176.780 176.094 0.170 0.000 1.351 429 V CA -0.420 61.959 62.300 0.131 0.000 1.073 429 V CB -0.401 31.544 31.823 0.204 0.000 0.863 429 V HN -0.169 nan 8.190 nan 0.000 0.436 430 K N 1.991 122.439 120.400 0.080 0.000 2.172 430 K HA 0.688 5.012 4.320 0.007 0.000 0.276 430 K C -0.767 175.901 176.600 0.113 0.000 1.013 430 K CA -0.294 56.004 56.287 0.017 0.000 0.913 430 K CB 1.423 33.880 32.500 -0.071 0.000 1.055 430 K HN 0.502 nan 8.250 nan 0.000 0.461 431 F N -1.723 118.208 119.950 -0.031 0.000 2.817 431 F HA 0.553 5.084 4.527 0.008 0.000 0.317 431 F C -1.550 174.264 175.800 0.024 0.000 1.168 431 F CA -1.040 56.953 58.000 -0.012 0.000 0.911 431 F CB 1.181 40.155 39.000 -0.045 0.000 1.337 431 F HN 0.433 nan 8.300 nan 0.000 0.464 432 S N 1.617 117.395 115.700 0.131 0.000 2.543 432 S HA 0.604 5.079 4.470 0.007 0.000 0.271 432 S C -1.351 173.452 174.600 0.338 0.000 1.148 432 S CA -0.888 57.359 58.200 0.080 0.000 0.914 432 S CB 1.462 64.656 63.200 -0.010 0.000 1.096 432 S HN 0.835 nan 8.310 nan 0.000 0.471 433 I N 2.622 123.425 120.570 0.387 0.000 2.752 433 I HA 0.029 4.203 4.170 0.007 0.000 0.289 433 I C 0.235 176.515 176.117 0.273 0.000 1.197 433 I CA -0.068 61.476 61.300 0.406 0.000 1.432 433 I CB -0.087 38.094 38.000 0.302 0.000 1.359 433 I HN 0.713 nan 8.210 nan 0.000 0.571 434 L N 7.833 129.241 121.223 0.308 0.000 2.385 434 L HA 0.068 4.413 4.340 0.007 0.000 0.281 434 L C 1.479 178.502 176.870 0.255 0.000 1.106 434 L CA -0.071 54.901 54.840 0.221 0.000 0.856 434 L CB 0.105 42.273 42.059 0.181 0.000 1.186 434 L HN 0.592 nan 8.230 nan 0.000 0.453 435 E N 1.659 121.962 120.200 0.171 0.000 2.333 435 E HA -0.118 4.237 4.350 0.007 0.000 0.198 435 E C -0.089 176.636 176.600 0.209 0.000 1.007 435 E CA 0.863 57.368 56.400 0.175 0.000 0.845 435 E CB 0.138 29.886 29.700 0.080 0.000 0.766 435 E HN 0.313 nan 8.360 nan 0.000 0.507 436 K N 0.259 120.742 120.400 0.138 0.000 2.426 436 K HA 0.287 4.612 4.320 0.007 0.000 0.251 436 K C -2.730 173.885 176.600 0.026 0.000 0.941 436 K CA -2.667 53.663 56.287 0.073 0.000 0.808 436 K CB 1.640 34.168 32.500 0.047 0.000 1.265 436 K HN -0.226 nan 8.250 nan 0.000 0.432 437 P HA 0.182 nan 4.420 nan 0.000 0.276 437 P C -2.421 174.857 177.300 -0.037 0.000 1.230 437 P CA -0.965 62.092 63.100 -0.072 0.000 0.776 437 P CB 0.163 31.792 31.700 -0.119 0.000 0.888 438 P HA 0.236 nan 4.420 nan 0.000 0.279 438 P C -0.422 176.866 177.300 -0.020 0.000 1.252 438 P CA -0.337 62.757 63.100 -0.010 0.000 0.811 438 P CB 1.006 32.709 31.700 0.005 0.000 1.035 439 E N 1.081 121.274 120.200 -0.010 0.000 2.104 439 E HA 0.277 4.632 4.350 0.007 0.000 0.278 439 E C -0.281 176.314 176.600 -0.009 0.000 1.127 439 E CA -0.215 56.177 56.400 -0.012 0.000 0.897 439 E CB 0.398 30.094 29.700 -0.006 0.000 1.043 439 E HN 0.163 nan 8.360 nan 0.000 0.410 440 V N 2.052 121.957 119.914 -0.015 0.000 2.876 440 V HA 0.219 4.343 4.120 0.007 0.000 0.312 440 V C 0.220 176.309 176.094 -0.009 0.000 1.085 440 V CA -1.057 61.237 62.300 -0.009 0.000 0.945 440 V CB 2.320 34.134 31.823 -0.014 0.000 1.017 440 V HN 0.533 nan 8.190 nan 0.000 0.428 441 E N 2.444 122.643 120.200 -0.001 0.000 2.105 441 E HA 0.443 4.798 4.350 0.007 0.000 0.285 441 E C -1.295 175.307 176.600 0.004 0.000 1.055 441 E CA -0.275 56.126 56.400 0.002 0.000 0.843 441 E CB 1.132 30.835 29.700 0.006 0.000 1.067 441 E HN 0.538 nan 8.360 nan 0.000 0.398 442 V N 4.687 124.602 119.914 0.002 0.000 2.398 442 V HA 0.158 4.282 4.120 0.007 0.000 0.286 442 V C 0.609 176.712 176.094 0.015 0.000 1.026 442 V CA -0.765 61.540 62.300 0.009 0.000 0.868 442 V CB 1.135 32.959 31.823 0.002 0.000 0.982 442 V HN 0.831 nan 8.190 nan 0.000 0.443 443 S N 3.443 119.157 115.700 0.024 0.000 2.611 443 S HA 0.071 4.546 4.470 0.007 0.000 0.252 443 S C 0.953 175.564 174.600 0.018 0.000 1.369 443 S CA 0.144 58.357 58.200 0.020 0.000 0.975 443 S CB 0.611 63.825 63.200 0.024 0.000 0.937 443 S HN 0.716 nan 8.310 nan 0.000 0.584 444 E N 0.826 121.033 120.200 0.011 0.000 2.046 444 E HA -0.034 4.321 4.350 0.007 0.000 0.190 444 E C 1.744 178.348 176.600 0.006 0.000 0.982 444 E CA 1.513 57.917 56.400 0.006 0.000 0.800 444 E CB -0.409 29.292 29.700 0.001 0.000 0.756 444 E HN 0.657 nan 8.360 nan 0.000 0.449 445 D N 0.261 120.661 120.400 0.000 0.000 2.117 445 D HA -0.116 4.529 4.640 0.007 0.000 0.197 445 D C 1.979 178.281 176.300 0.004 0.000 0.987 445 D CA 1.114 55.105 54.000 -0.015 0.000 0.829 445 D CB -0.098 40.682 40.800 -0.033 0.000 0.961 445 D HN 0.041 nan 8.370 nan 0.000 0.460 446 V N 1.265 121.209 119.914 0.049 0.000 2.515 446 V HA -0.194 3.931 4.120 0.007 0.000 0.250 446 V C 2.458 178.630 176.094 0.130 0.000 1.058 446 V CA 1.292 63.677 62.300 0.142 0.000 1.064 446 V CB -0.422 31.498 31.823 0.162 0.000 0.675 446 V HN 0.102 nan 8.190 nan 0.000 0.461 447 R N 0.723 121.262 120.500 0.065 0.000 2.073 447 R HA -0.194 4.151 4.340 0.007 0.000 0.234 447 R C 2.393 178.723 176.300 0.051 0.000 1.134 447 R CA 1.871 57.999 56.100 0.047 0.000 0.952 447 R CB -0.295 30.018 30.300 0.022 0.000 0.850 447 R HN 0.829 nan 8.270 nan 0.000 0.433 448 E N 0.395 120.615 120.200 0.034 0.000 2.216 448 E HA -0.040 4.314 4.350 0.007 0.000 0.192 448 E C 1.834 178.452 176.600 0.031 0.000 0.988 448 E CA 0.895 57.310 56.400 0.025 0.000 0.834 448 E CB -0.071 29.631 29.700 0.003 0.000 0.772 448 E HN 0.269 nan 8.360 nan 0.000 0.479 449 A N 1.435 124.270 122.820 0.026 0.000 1.969 449 A HA -0.043 4.282 4.320 0.007 0.000 0.218 449 A C 2.240 179.926 177.584 0.170 0.000 1.169 449 A CA 1.326 53.354 52.037 -0.016 0.000 0.635 449 A CB -0.445 18.421 19.000 -0.223 0.000 0.810 449 A HN 0.253 nan 8.150 nan 0.000 0.445 450 M N -0.705 119.045 119.600 0.251 0.000 2.288 450 M HA -0.068 4.417 4.480 0.007 0.000 0.266 450 M C 1.674 178.068 176.300 0.156 0.000 1.072 450 M CA 0.773 56.222 55.300 0.249 0.000 1.132 450 M CB -0.377 32.315 32.600 0.153 0.000 1.386 450 M HN 0.351 nan 8.290 nan 0.000 0.432 451 N N 0.639 119.403 118.700 0.107 0.000 2.166 451 N HA -0.183 4.561 4.740 0.007 0.000 0.186 451 N C 1.546 177.114 175.510 0.095 0.000 1.019 451 N CA 1.290 54.388 53.050 0.080 0.000 0.856 451 N CB -0.221 38.296 38.487 0.051 0.000 0.993 451 N HN 0.467 nan 8.380 nan 0.000 0.426 452 E N 0.493 120.748 120.200 0.092 0.000 2.072 452 E HA -0.093 4.261 4.350 0.007 0.000 0.191 452 E C 1.758 178.455 176.600 0.161 0.000 0.985 452 E CA 0.783 57.241 56.400 0.097 0.000 0.801 452 E CB 0.197 29.924 29.700 0.044 0.000 0.750 452 E HN 0.007 nan 8.360 nan 0.000 0.452 453 V N 1.217 121.240 119.914 0.182 0.000 2.343 453 V HA -0.236 3.888 4.120 0.007 0.000 0.247 453 V C 2.447 178.719 176.094 0.297 0.000 1.051 453 V CA 1.755 64.211 62.300 0.261 0.000 1.036 453 V CB -0.717 31.275 31.823 0.282 0.000 0.654 453 V HN 0.437 nan 8.190 nan 0.000 0.451 454 A N -0.266 122.681 122.820 0.212 0.000 2.019 454 A HA -0.225 4.100 4.320 0.007 0.000 0.219 454 A C 2.169 179.838 177.584 0.141 0.000 1.164 454 A CA 1.918 54.052 52.037 0.162 0.000 0.644 454 A CB -0.405 18.662 19.000 0.111 0.000 0.805 454 A HN 0.543 nan 8.150 nan 0.000 0.449 455 E N -1.042 119.252 120.200 0.156 0.000 2.072 455 E HA -0.177 4.178 4.350 0.007 0.000 0.190 455 E C 1.626 178.326 176.600 0.167 0.000 0.982 455 E CA 1.307 57.783 56.400 0.127 0.000 0.803 455 E CB -0.446 29.326 29.700 0.121 0.000 0.755 455 E HN 0.700 nan 8.360 nan 0.000 0.453 456 W N 0.629 121.975 121.300 0.077 0.000 2.358 456 W HA -0.108 4.557 4.660 0.007 0.000 0.303 456 W C 1.621 178.221 176.519 0.136 0.000 1.208 456 W CA 1.583 59.014 57.345 0.143 0.000 1.274 456 W CB -0.206 29.302 29.460 0.080 0.000 1.138 456 W HN 0.095 nan 8.180 nan 0.000 0.515 457 L N 0.054 121.355 121.223 0.131 0.000 2.201 457 L HA -0.159 4.186 4.340 0.007 0.000 0.212 457 L C 2.371 179.190 176.870 -0.084 0.000 1.105 457 L CA 1.676 56.469 54.840 -0.079 0.000 0.775 457 L CB -0.802 41.272 42.059 0.024 0.000 0.913 457 L HN 0.063 nan 8.230 nan 0.000 0.440 458 E N 0.218 120.390 120.200 -0.047 0.000 2.158 458 E HA -0.134 4.221 4.350 0.007 0.000 0.191 458 E C 1.406 177.917 176.600 -0.149 0.000 0.982 458 E CA 0.569 56.931 56.400 -0.063 0.000 0.823 458 E CB 0.289 29.974 29.700 -0.025 0.000 0.766 458 E HN 0.440 nan 8.360 nan 0.000 0.468 459 N N -0.009 118.538 118.700 -0.254 0.000 2.398 459 N HA -0.017 4.727 4.740 0.007 0.000 0.188 459 N C -0.567 174.462 175.510 -0.802 0.000 1.122 459 N CA 0.520 53.293 53.050 -0.462 0.000 0.866 459 N CB 0.393 38.578 38.487 -0.502 0.000 0.970 459 N HN 0.181 nan 8.380 nan 0.000 0.462 460 H N -0.005 118.853 119.070 -0.352 0.000 2.953 460 H HA 0.212 4.773 4.556 0.007 0.000 0.290 460 H C 0.197 175.457 175.328 -0.113 0.000 1.113 460 H CA -0.200 55.650 56.048 -0.331 0.000 1.454 460 H CB 1.088 30.393 29.762 -0.762 0.000 1.525 460 H HN 0.118 nan 8.280 nan 0.000 0.505 461 E N 1.216 121.405 120.200 -0.017 0.000 2.204 461 E HA -0.064 4.291 4.350 0.007 0.000 0.194 461 E C 0.070 176.641 176.600 -0.049 0.000 0.989 461 E CA 0.851 57.240 56.400 -0.019 0.000 0.824 461 E CB 0.565 30.239 29.700 -0.044 0.000 0.756 461 E HN 0.484 nan 8.360 nan 0.000 0.477 462 E N -0.185 120.012 120.200 -0.006 0.000 2.288 462 E HA 0.484 4.839 4.350 0.007 0.000 0.268 462 E C -0.680 175.949 176.600 0.048 0.000 0.885 462 E CA -0.659 55.677 56.400 -0.107 0.000 0.767 462 E CB 1.986 31.655 29.700 -0.052 0.000 1.220 462 E HN -0.020 nan 8.360 nan 0.000 0.427 463 F N -2.117 117.827 119.950 -0.010 0.000 2.829 463 F HA 0.362 4.894 4.527 0.007 0.000 0.319 463 F C -0.869 174.993 175.800 0.103 0.000 1.153 463 F CA -1.250 56.782 58.000 0.054 0.000 0.912 463 F CB 0.286 39.326 39.000 0.067 0.000 1.292 463 F HN 0.228 nan 8.300 nan 0.000 0.447 464 S N 0.118 116.068 115.700 0.417 0.000 2.616 464 S HA 0.547 5.021 4.470 0.007 0.000 0.277 464 S C 0.420 175.303 174.600 0.471 0.000 1.234 464 S CA -0.233 58.137 58.200 0.283 0.000 1.028 464 S CB 1.654 64.962 63.200 0.181 0.000 0.988 464 S HN 0.810 nan 8.310 nan 0.000 0.522 465 V N 1.484 121.596 119.914 0.330 0.000 2.515 465 V HA -0.117 4.008 4.120 0.007 0.000 0.250 465 V C 2.728 179.004 176.094 0.304 0.000 1.058 465 V CA 1.996 64.540 62.300 0.406 0.000 1.064 465 V CB -1.064 30.905 31.823 0.243 0.000 0.675 465 V HN 1.019 nan 8.190 nan 0.000 0.461 466 E N 0.142 120.451 120.200 0.182 0.000 2.106 466 E HA -0.259 4.096 4.350 0.007 0.000 0.192 466 E C 2.279 178.927 176.600 0.080 0.000 0.984 466 E CA 1.414 57.871 56.400 0.094 0.000 0.806 466 E CB 0.079 29.805 29.700 0.044 0.000 0.750 466 E HN 0.741 nan 8.360 nan 0.000 0.458 467 E N -0.455 119.825 120.200 0.133 0.000 2.107 467 E HA -0.167 4.187 4.350 0.007 0.000 0.191 467 E C 1.907 178.475 176.600 -0.052 0.000 0.982 467 E CA 0.569 57.001 56.400 0.053 0.000 0.809 467 E CB -0.178 29.601 29.700 0.133 0.000 0.756 467 E HN 0.177 nan 8.360 nan 0.000 0.459 468 F N 2.042 121.927 119.950 -0.108 0.000 2.216 468 F HA -0.123 4.408 4.527 0.007 0.000 0.300 468 F C 1.859 177.575 175.800 -0.140 0.000 1.085 468 F CA 1.768 59.586 58.000 -0.304 0.000 1.326 468 F CB -0.558 38.449 39.000 0.011 0.000 1.027 468 F HN 0.049 nan 8.300 nan 0.000 0.497 469 N N 0.018 118.664 118.700 -0.090 0.000 2.216 469 N HA -0.161 4.584 4.740 0.007 0.000 0.183 469 N C 1.537 177.058 175.510 0.018 0.000 1.017 469 N CA 1.367 54.375 53.050 -0.071 0.000 0.861 469 N CB -0.259 38.250 38.487 0.037 0.000 0.986 469 N HN 0.123 nan 8.380 nan 0.000 0.428 470 N N 0.570 119.233 118.700 -0.062 0.000 2.106 470 N HA -0.071 4.674 4.740 0.007 0.000 0.188 470 N C 1.688 177.148 175.510 -0.084 0.000 1.029 470 N CA 0.944 53.952 53.050 -0.070 0.000 0.848 470 N CB -0.287 38.141 38.487 -0.098 0.000 1.007 470 N HN 0.371 nan 8.380 nan 0.000 0.423 471 I N 1.103 121.531 120.570 -0.236 0.000 2.208 471 I HA -0.247 3.927 4.170 0.007 0.000 0.245 471 I C 2.120 178.120 176.117 -0.195 0.000 1.097 471 I CA 0.818 61.925 61.300 -0.322 0.000 1.363 471 I CB -0.263 37.331 38.000 -0.677 0.000 1.051 471 I HN 0.081 nan 8.210 nan 0.000 0.413 472 L N -0.390 120.729 121.223 -0.174 0.000 2.042 472 L HA -0.247 4.098 4.340 0.007 0.000 0.210 472 L C 2.477 179.400 176.870 0.089 0.000 1.076 472 L CA 1.669 56.489 54.840 -0.034 0.000 0.749 472 L CB -0.517 41.452 42.059 -0.149 0.000 0.893 472 L HN 0.147 nan 8.230 nan 0.000 0.432 473 F N -0.649 119.307 119.950 0.010 0.000 2.293 473 F HA -0.119 4.412 4.527 0.007 0.000 0.297 473 F C 2.669 178.386 175.800 -0.139 0.000 1.089 473 F CA 0.897 58.918 58.000 0.036 0.000 1.377 473 F CB -0.262 38.786 39.000 0.082 0.000 1.051 473 F HN 0.059 nan 8.300 nan 0.000 0.511 474 E N 0.763 120.975 120.200 0.019 0.000 2.015 474 E HA -0.141 4.213 4.350 0.007 0.000 0.191 474 E C 2.434 178.913 176.600 -0.202 0.000 0.991 474 E CA 1.316 57.664 56.400 -0.085 0.000 0.802 474 E CB -0.504 29.139 29.700 -0.095 0.000 0.759 474 E HN 0.159 nan 8.360 nan 0.000 0.447 475 V N 1.573 121.332 119.914 -0.260 0.000 2.511 475 V HA -0.323 3.802 4.120 0.007 0.000 0.257 475 V C 2.433 178.202 176.094 -0.541 0.000 1.088 475 V CA 2.048 64.143 62.300 -0.342 0.000 1.098 475 V CB -0.908 30.721 31.823 -0.323 0.000 0.674 475 V HN 0.362 nan 8.190 nan 0.000 0.470 476 A N -0.778 121.593 122.820 -0.748 0.000 1.911 476 A HA -0.065 4.259 4.320 0.007 0.000 0.212 476 A C 2.299 179.621 177.584 -0.436 0.000 1.189 476 A CA 1.187 52.681 52.037 -0.906 0.000 0.639 476 A CB -0.346 17.767 19.000 -1.479 0.000 0.839 476 A HN 0.437 nan 8.150 nan 0.000 0.449 477 K N -0.330 119.906 120.400 -0.274 0.000 2.362 477 K HA -0.074 4.250 4.320 0.007 0.000 0.200 477 K C 2.047 178.571 176.600 -0.126 0.000 1.046 477 K CA 1.091 57.299 56.287 -0.131 0.000 0.952 477 K CB -0.093 32.378 32.500 -0.048 0.000 0.753 477 K HN 0.414 nan 8.250 nan 0.000 0.466 478 R N 0.039 120.440 120.500 -0.164 0.000 2.210 478 R HA 0.086 4.430 4.340 0.007 0.000 0.203 478 R C 0.921 177.144 176.300 -0.127 0.000 1.010 478 R CA 0.402 56.425 56.100 -0.128 0.000 1.008 478 R CB 0.362 30.586 30.300 -0.128 0.000 0.923 478 R HN -0.002 nan 8.270 nan 0.000 0.469 479 R N -0.469 119.929 120.500 -0.171 0.000 2.694 479 R HA 0.160 4.504 4.340 0.007 0.000 0.334 479 R C 0.346 176.573 176.300 -0.120 0.000 1.143 479 R CA 0.468 56.483 56.100 -0.142 0.000 1.073 479 R CB 1.057 31.253 30.300 -0.172 0.000 1.366 479 R HN 0.392 nan 8.270 nan 0.000 0.577 480 G N 1.623 110.361 108.800 -0.104 0.000 2.216 480 G HA2 -0.313 3.652 3.960 0.007 0.000 0.269 480 G HA3 -0.313 3.652 3.960 0.007 0.000 0.269 480 G C 0.393 175.247 174.900 -0.075 0.000 0.981 480 G CA 0.267 45.324 45.100 -0.073 0.000 0.658 480 G HN 0.386 nan 8.290 nan 0.000 0.539 481 I N 2.613 123.106 120.570 -0.128 0.000 2.505 481 I HA 0.196 4.371 4.170 0.007 0.000 0.287 481 I C 1.442 177.511 176.117 -0.080 0.000 1.104 481 I CA 0.179 61.410 61.300 -0.116 0.000 1.387 481 I CB 0.563 38.432 38.000 -0.220 0.000 1.404 481 I HN 0.352 nan 8.210 nan 0.000 0.528 482 S N 3.870 119.570 115.700 0.000 0.000 2.580 482 S HA 0.078 4.552 4.470 0.007 0.000 0.266 482 S C 1.176 175.847 174.600 0.117 0.000 1.354 482 S CA -0.712 57.519 58.200 0.051 0.000 1.008 482 S CB 1.162 64.401 63.200 0.065 0.000 0.898 482 S HN 0.643 nan 8.310 nan 0.000 0.555 483 S N 1.111 116.924 115.700 0.187 0.000 2.383 483 S HA -0.054 4.420 4.470 0.007 0.000 0.227 483 S C 2.168 177.013 174.600 0.408 0.000 1.026 483 S CA 0.366 58.792 58.200 0.377 0.000 0.981 483 S CB -0.321 63.101 63.200 0.371 0.000 0.818 483 S HN 0.537 nan 8.310 nan 0.000 0.472 484 R N 1.409 122.056 120.500 0.245 0.000 2.103 484 R HA -0.128 4.217 4.340 0.007 0.000 0.234 484 R C 2.374 178.789 176.300 0.191 0.000 1.132 484 R CA 1.754 57.974 56.100 0.199 0.000 0.925 484 R CB -0.962 29.413 30.300 0.126 0.000 0.842 484 R HN 0.581 nan 8.270 nan 0.000 0.430 485 E N -0.291 119.998 120.200 0.149 0.000 2.085 485 E HA -0.214 4.141 4.350 0.007 0.000 0.194 485 E C 1.899 178.574 176.600 0.124 0.000 0.994 485 E CA 1.049 57.521 56.400 0.121 0.000 0.801 485 E CB -0.251 29.509 29.700 0.101 0.000 0.743 485 E HN 0.466 nan 8.360 nan 0.000 0.453 486 W N 0.163 121.375 121.300 -0.147 0.000 2.329 486 W HA -0.262 4.403 4.660 0.008 0.000 0.324 486 W C 1.496 177.721 176.519 -0.489 0.000 1.222 486 W CA 1.235 58.344 57.345 -0.393 0.000 1.270 486 W CB -0.373 28.689 29.460 -0.664 0.000 1.167 486 W HN 0.093 nan 8.180 nan 0.000 0.467 487 F N 0.465 120.281 119.950 -0.224 0.000 2.558 487 F HA -0.099 4.432 4.527 0.007 0.000 0.298 487 F C 2.778 178.523 175.800 -0.091 0.000 1.119 487 F CA 1.256 59.040 58.000 -0.360 0.000 1.451 487 F CB -1.107 37.802 39.000 -0.152 0.000 1.091 487 F HN -0.188 nan 8.300 nan 0.000 0.563 488 S N -0.106 115.670 115.700 0.126 0.000 2.345 488 S HA -0.152 4.322 4.470 0.007 0.000 0.219 488 S C 2.219 176.858 174.600 0.066 0.000 1.031 488 S CA 2.038 60.329 58.200 0.151 0.000 0.984 488 S CB -0.526 62.745 63.200 0.117 0.000 0.874 488 S HN 0.329 nan 8.310 nan 0.000 0.451 489 T N 3.285 117.820 114.554 -0.032 0.000 2.684 489 T HA -0.023 4.331 4.350 0.007 0.000 0.267 489 T C 1.805 176.442 174.700 -0.106 0.000 1.036 489 T CA 1.544 63.607 62.100 -0.061 0.000 1.148 489 T CB -0.551 68.271 68.868 -0.076 0.000 0.863 489 T HN 0.295 nan 8.240 nan 0.000 0.436 490 L N -0.599 120.453 121.223 -0.285 0.000 2.012 490 L HA -0.152 4.193 4.340 0.007 0.000 0.210 490 L C 2.447 179.332 176.870 0.024 0.000 1.073 490 L CA 1.754 56.444 54.840 -0.250 0.000 0.748 490 L CB -0.667 40.998 42.059 -0.658 0.000 0.891 490 L HN 0.332 nan 8.230 nan 0.000 0.431 491 Y N -0.315 120.013 120.300 0.046 0.000 2.242 491 Y HA -0.180 4.375 4.550 0.008 0.000 0.291 491 Y C 2.853 178.820 175.900 0.112 0.000 1.137 491 Y CA 0.808 58.970 58.100 0.103 0.000 1.181 491 Y CB -0.094 38.389 38.460 0.038 0.000 0.989 491 Y HN 0.045 nan 8.280 nan 0.000 0.527 492 R N -0.035 120.593 120.500 0.215 0.000 2.092 492 R HA -0.146 4.199 4.340 0.007 0.000 0.231 492 R C 2.115 178.471 176.300 0.093 0.000 1.119 492 R CA 1.285 57.464 56.100 0.132 0.000 0.970 492 R CB -0.534 29.812 30.300 0.077 0.000 0.864 492 R HN 0.380 nan 8.270 nan 0.000 0.440 493 L N -0.685 120.563 121.223 0.042 0.000 2.093 493 L HA -0.115 4.229 4.340 0.007 0.000 0.208 493 L C 1.911 178.686 176.870 -0.159 0.000 1.085 493 L CA 1.268 56.046 54.840 -0.102 0.000 0.755 493 L CB -0.194 41.728 42.059 -0.228 0.000 0.904 493 L HN 0.090 nan 8.230 nan 0.000 0.435 494 F N -0.583 119.438 119.950 0.118 0.000 2.317 494 F HA 0.039 4.570 4.527 0.007 0.000 0.290 494 F C 1.960 177.950 175.800 0.316 0.000 1.075 494 F CA 0.861 59.001 58.000 0.234 0.000 1.380 494 F CB 0.256 39.428 39.000 0.287 0.000 1.093 494 F HN -0.056 nan 8.300 nan 0.000 0.524 495 I N -4.251 116.590 120.570 0.451 0.000 4.240 495 I HA 0.550 4.724 4.170 0.007 0.000 0.331 495 I C 1.390 177.651 176.117 0.240 0.000 1.381 495 I CA 0.587 62.109 61.300 0.369 0.000 1.136 495 I CB 0.452 38.656 38.000 0.339 0.000 1.137 495 I HN 0.180 nan 8.210 nan 0.000 0.411 496 G N 2.065 110.979 108.800 0.190 0.000 2.205 496 G HA2 -0.289 3.675 3.960 0.007 0.000 0.261 496 G HA3 -0.289 3.675 3.960 0.007 0.000 0.261 496 G C 0.198 175.159 174.900 0.102 0.000 0.980 496 G CA 0.602 45.778 45.100 0.126 0.000 0.632 496 G HN 0.530 nan 8.290 nan 0.000 0.533 497 K N 0.133 120.597 120.400 0.106 0.000 2.168 497 K HA 0.544 4.868 4.320 0.007 0.000 0.239 497 K C 1.303 177.935 176.600 0.054 0.000 0.999 497 K CA -0.088 56.229 56.287 0.050 0.000 0.900 497 K CB 0.930 33.430 32.500 0.000 0.000 1.111 497 K HN 0.337 nan 8.250 nan 0.000 0.452 498 E N 0.888 121.097 120.200 0.014 0.000 2.442 498 E HA 0.016 4.370 4.350 0.007 0.000 0.195 498 E C -0.183 176.391 176.600 -0.043 0.000 1.030 498 E CA 0.437 56.861 56.400 0.040 0.000 0.869 498 E CB 0.355 30.075 29.700 0.034 0.000 0.857 498 E HN 0.257 nan 8.360 nan 0.000 0.505 499 R N 0.010 120.356 120.500 -0.256 0.000 2.698 499 R HA 0.647 4.991 4.340 0.007 0.000 0.275 499 R C -0.486 175.291 176.300 -0.872 0.000 1.001 499 R CA -0.518 55.212 56.100 -0.616 0.000 0.896 499 R CB 2.346 32.464 30.300 -0.303 0.000 1.218 499 R HN 0.113 nan 8.270 nan 0.000 0.462 500 G N 1.395 109.330 108.800 -1.442 0.000 2.731 500 G HA2 0.532 4.496 3.960 0.007 0.000 0.309 500 G HA3 0.532 4.496 3.960 0.007 0.000 0.309 500 G C -2.942 171.624 174.900 -0.558 0.000 1.273 500 G CA -0.800 43.749 45.100 -0.918 0.000 0.798 500 G HN 0.278 nan 8.290 nan 0.000 0.509 501 P HA 0.298 nan 4.420 nan 0.000 0.270 501 P C -0.210 177.105 177.300 0.026 0.000 1.223 501 P CA -0.306 62.639 63.100 -0.258 0.000 0.785 501 P CB 0.329 31.727 31.700 -0.504 0.000 0.923 502 R N 1.390 121.944 120.500 0.089 0.000 2.526 502 R HA -0.069 4.276 4.340 0.007 0.000 0.319 502 R C 1.533 177.962 176.300 0.214 0.000 0.888 502 R CA 0.027 56.212 56.100 0.141 0.000 1.127 502 R CB -0.380 29.979 30.300 0.097 0.000 0.888 502 R HN 0.526 nan 8.270 nan 0.000 0.410 503 L N 2.965 124.304 121.223 0.193 0.000 1.956 503 L HA -0.324 4.020 4.340 0.007 0.000 0.216 503 L C 2.293 179.236 176.870 0.121 0.000 1.073 503 L CA 2.194 57.105 54.840 0.118 0.000 0.762 503 L CB -0.625 41.417 42.059 -0.029 0.000 0.889 503 L HN 0.885 nan 8.230 nan 0.000 0.433 504 A N -0.160 122.698 122.820 0.064 0.000 1.873 504 A HA -0.270 4.055 4.320 0.007 0.000 0.218 504 A C 2.396 180.189 177.584 0.348 0.000 1.193 504 A CA 2.579 54.660 52.037 0.074 0.000 0.629 504 A CB -0.909 18.106 19.000 0.025 0.000 0.826 504 A HN 0.651 nan 8.150 nan 0.000 0.447 505 S N -1.379 114.475 115.700 0.257 0.000 2.428 505 S HA -0.109 4.365 4.470 0.007 0.000 0.230 505 S C 1.762 176.596 174.600 0.389 0.000 1.014 505 S CA 1.251 59.603 58.200 0.254 0.000 0.957 505 S CB -0.607 62.587 63.200 -0.010 0.000 0.784 505 S HN 0.548 nan 8.310 nan 0.000 0.499 506 F N 2.929 123.010 119.950 0.218 0.000 2.060 506 F HA 0.170 4.701 4.527 0.008 0.000 0.295 506 F C 1.857 177.767 175.800 0.183 0.000 1.120 506 F CA 0.871 58.994 58.000 0.205 0.000 1.205 506 F CB -0.758 38.299 39.000 0.095 0.000 0.986 506 F HN 0.125 nan 8.300 nan 0.000 0.470 507 L N 0.221 121.364 121.223 -0.134 0.000 2.131 507 L HA -0.155 4.189 4.340 0.007 0.000 0.210 507 L C 2.564 179.452 176.870 0.030 0.000 1.092 507 L CA 1.141 55.836 54.840 -0.241 0.000 0.759 507 L CB -1.175 40.861 42.059 -0.037 0.000 0.903 507 L HN 0.274 nan 8.230 nan 0.000 0.435 508 A N -1.365 121.599 122.820 0.239 0.000 2.235 508 A HA -0.033 4.291 4.320 0.007 0.000 0.208 508 A C 2.235 179.901 177.584 0.137 0.000 1.172 508 A CA 1.060 53.225 52.037 0.213 0.000 0.786 508 A CB -0.220 18.980 19.000 0.333 0.000 0.804 508 A HN 0.335 nan 8.150 nan 0.000 0.479 509 S N -0.626 115.159 115.700 0.140 0.000 2.535 509 S HA 0.319 4.793 4.470 0.007 0.000 0.214 509 S C 0.651 175.357 174.600 0.175 0.000 0.980 509 S CA -0.229 58.065 58.200 0.157 0.000 0.907 509 S CB -0.117 63.221 63.200 0.230 0.000 0.790 509 S HN 0.475 nan 8.310 nan 0.000 0.510 510 L N 1.275 122.551 121.223 0.088 0.000 2.472 510 L HA 0.388 4.733 4.340 0.007 0.000 0.256 510 L C -0.279 176.643 176.870 0.087 0.000 1.111 510 L CA -1.020 53.874 54.840 0.090 0.000 0.800 510 L CB 0.210 42.252 42.059 -0.027 0.000 1.286 510 L HN -0.012 nan 8.230 nan 0.000 0.479 511 D N 0.108 120.497 120.400 -0.017 0.000 2.371 511 D HA 0.054 4.699 4.640 0.007 0.000 0.256 511 D C 0.874 177.246 176.300 0.120 0.000 1.193 511 D CA 0.110 54.130 54.000 0.032 0.000 0.881 511 D CB 1.034 41.814 40.800 -0.032 0.000 1.143 511 D HN 0.351 nan 8.370 nan 0.000 0.473 512 R N 1.798 122.352 120.500 0.091 0.000 2.117 512 R HA -0.205 4.140 4.340 0.007 0.000 0.243 512 R C 1.908 178.273 176.300 0.108 0.000 1.143 512 R CA 1.819 57.977 56.100 0.097 0.000 0.968 512 R CB 0.067 30.407 30.300 0.068 0.000 0.863 512 R HN 0.522 nan 8.270 nan 0.000 0.444 513 S N -0.447 115.315 115.700 0.102 0.000 2.383 513 S HA -0.185 4.289 4.470 0.007 0.000 0.227 513 S C 1.827 176.507 174.600 0.134 0.000 1.026 513 S CA 1.035 59.291 58.200 0.093 0.000 0.981 513 S CB -0.625 62.619 63.200 0.074 0.000 0.818 513 S HN 0.463 nan 8.310 nan 0.000 0.472 514 F N 2.862 122.829 119.950 0.028 0.000 2.146 514 F HA -0.005 4.526 4.527 0.008 0.000 0.298 514 F C 2.121 177.999 175.800 0.130 0.000 1.096 514 F CA 1.239 59.268 58.000 0.049 0.000 1.275 514 F CB -0.401 38.616 39.000 0.028 0.000 1.008 514 F HN 0.065 nan 8.300 nan 0.000 0.480 515 V N 0.776 120.851 119.914 0.268 0.000 2.358 515 V HA -0.296 3.828 4.120 0.007 0.000 0.246 515 V C 2.401 178.587 176.094 0.152 0.000 1.047 515 V CA 2.111 64.578 62.300 0.278 0.000 1.035 515 V CB -0.700 31.247 31.823 0.206 0.000 0.658 515 V HN 0.365 nan 8.190 nan 0.000 0.452 516 I N -0.485 120.139 120.570 0.090 0.000 2.179 516 I HA -0.186 3.989 4.170 0.007 0.000 0.242 516 I C 2.621 178.730 176.117 -0.012 0.000 1.088 516 I CA 1.341 62.675 61.300 0.056 0.000 1.357 516 I CB -0.396 37.633 38.000 0.048 0.000 1.051 516 I HN 0.169 nan 8.210 nan 0.000 0.409 517 K N 0.416 120.777 120.400 -0.065 0.000 2.103 517 K HA -0.205 4.119 4.320 0.007 0.000 0.207 517 K C 2.205 178.673 176.600 -0.220 0.000 1.048 517 K CA 1.312 57.525 56.287 -0.124 0.000 0.930 517 K CB -0.415 32.009 32.500 -0.126 0.000 0.716 517 K HN 0.143 nan 8.250 nan 0.000 0.444 518 R N 1.029 121.311 120.500 -0.363 0.000 2.093 518 R HA 0.094 4.439 4.340 0.007 0.000 0.224 518 R C 2.262 178.375 176.300 -0.312 0.000 1.101 518 R CA 0.740 56.532 56.100 -0.513 0.000 0.979 518 R CB -0.435 29.234 30.300 -1.052 0.000 0.877 518 R HN 0.089 nan 8.270 nan 0.000 0.441 519 L N -0.170 120.996 121.223 -0.096 0.000 2.131 519 L HA -0.079 4.266 4.340 0.007 0.000 0.210 519 L C 1.950 178.810 176.870 -0.016 0.000 1.092 519 L CA 1.341 56.190 54.840 0.014 0.000 0.759 519 L CB -0.179 41.958 42.059 0.129 0.000 0.903 519 L HN 0.131 nan 8.230 nan 0.000 0.435 520 R N -0.142 120.336 120.500 -0.036 0.000 2.320 520 R HA 0.152 4.496 4.340 0.007 0.000 0.211 520 R C 0.317 176.584 176.300 -0.056 0.000 0.931 520 R CA -0.164 55.919 56.100 -0.028 0.000 1.071 520 R CB 0.083 30.372 30.300 -0.018 0.000 1.025 520 R HN 0.221 nan 8.270 nan 0.000 0.495 521 L N 1.912 123.076 121.223 -0.098 0.000 3.739 521 L HA -0.271 4.073 4.340 0.007 0.000 0.442 521 L C 0.525 177.341 176.870 -0.090 0.000 1.241 521 L CA 0.968 55.742 54.840 -0.110 0.000 0.819 521 L CB -1.178 40.835 42.059 -0.076 0.000 1.679 521 L HN 0.495 nan 8.230 nan 0.000 0.889 522 E N -1.148 118.991 120.200 -0.100 0.000 2.758 522 E HA 0.511 4.866 4.350 0.007 0.000 0.215 522 E C 0.621 177.170 176.600 -0.085 0.000 0.985 522 E CA 0.266 56.622 56.400 -0.074 0.000 1.102 522 E CB 1.265 30.934 29.700 -0.051 0.000 1.042 522 E HN 0.394 nan 8.360 nan 0.000 0.480 523 G N 0.000 108.722 108.800 -0.130 0.000 5.446 523 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 523 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 523 G CA 0.000 45.021 45.100 -0.131 0.000 0.502 523 G HN 0.000 nan 8.290 nan 0.000 0.925