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 9pai_1_A DATA FIRST_RESID 19 DATA SEQUENCE VHHPPSYVAH LASDFGVRVF QQVAQASKDR NVVFSPYGVA SVLAMLQLTT DATA SEQUENCE GGETQQQIQA AMGFKIDDKG MAPALRHLYK ELMGPWNKDE ISTTDAIFVQ DATA SEQUENCE RDLKLVQGFM PHFFRLFRST VKQVDFSEVE RARFIINDWV KTHTKGMISN DATA SEQUENCE LLGKGAVDQL TRLVLVNALY FNGQWKTPFP DSSTHRRLFH KSDGSTVSVP DATA SEQUENCE MMAQTNKFNY TEFTTPDGHY YDILELPYHG DTLSMFIAAP YEKEVPLSAL DATA SEQUENCE TNILSAQLIS HWKGNMTRLP RLLVLPKFSL ETEVDLRKPL ENLGMTDMFR DATA SEQUENCE QFQADFTSLS DQEPLHVAQA LQKVKIEVNE SGTVPSSSTA VIVSAR 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 19 V HA 0.000 nan 4.120 nan 0.000 0.244 19 V C 0.000 176.031 176.094 -0.106 0.000 1.182 19 V CA 0.000 62.214 62.300 -0.143 0.000 1.235 19 V CB 0.000 31.760 31.823 -0.106 0.000 1.184 20 H N 2.114 121.160 119.070 -0.040 0.000 2.929 20 H HA 0.162 4.718 4.556 0.000 0.000 0.358 20 H C 0.556 175.905 175.328 0.034 0.000 1.111 20 H CA 0.550 56.604 56.048 0.010 0.000 1.409 20 H CB 0.298 30.074 29.762 0.023 0.000 1.373 20 H HN 0.790 nan 8.280 nan 0.000 0.610 21 H N 3.987 123.139 119.070 0.136 0.000 3.187 21 H HA -0.049 4.507 4.556 0.000 0.000 0.286 21 H C -1.755 173.615 175.328 0.069 0.000 0.944 21 H CA -1.686 54.398 56.048 0.059 0.000 1.429 21 H CB 0.494 30.284 29.762 0.045 0.000 1.483 21 H HN 0.485 nan 8.280 nan 0.000 0.555 22 P HA -0.199 nan 4.420 nan 0.000 0.216 22 P C -1.363 175.830 177.300 -0.179 0.000 1.167 22 P CA 1.915 64.893 63.100 -0.203 0.000 0.914 22 P CB -0.566 31.016 31.700 -0.196 0.000 0.793 23 P HA -0.063 nan 4.420 nan 0.000 0.220 23 P C 1.428 178.710 177.300 -0.030 0.000 1.148 23 P CA 1.604 64.614 63.100 -0.150 0.000 0.803 23 P CB -0.436 31.206 31.700 -0.097 0.000 0.782 24 S N -2.040 113.686 115.700 0.042 0.000 2.453 24 S HA -0.125 4.345 4.470 0.000 0.000 0.231 24 S C 1.658 176.291 174.600 0.054 0.000 1.005 24 S CA 0.533 58.794 58.200 0.101 0.000 0.949 24 S CB -0.843 62.465 63.200 0.181 0.000 0.774 24 S HN 0.249 nan 8.310 nan 0.000 0.510 25 Y N 1.396 121.651 120.300 -0.076 0.000 2.231 25 Y HA 0.094 4.644 4.550 0.000 0.000 0.294 25 Y C 2.301 178.128 175.900 -0.122 0.000 1.120 25 Y CA 0.942 58.988 58.100 -0.090 0.000 1.141 25 Y CB -0.666 37.741 38.460 -0.088 0.000 1.022 25 Y HN 0.045 nan 8.280 nan 0.000 0.523 26 V N 1.084 120.847 119.914 -0.253 0.000 2.515 26 V HA -0.171 3.949 4.120 0.000 0.000 0.250 26 V C 2.307 178.190 176.094 -0.351 0.000 1.058 26 V CA 1.933 63.933 62.300 -0.499 0.000 1.064 26 V CB -1.094 30.519 31.823 -0.351 0.000 0.675 26 V HN 0.589 nan 8.190 nan 0.000 0.461 27 A N -0.534 122.192 122.820 -0.157 0.000 1.902 27 A HA -0.289 4.031 4.320 0.000 0.000 0.217 27 A C 2.264 179.803 177.584 -0.075 0.000 1.181 27 A CA 1.966 53.971 52.037 -0.054 0.000 0.623 27 A CB -1.087 17.906 19.000 -0.011 0.000 0.818 27 A HN 0.827 nan 8.150 nan 0.000 0.443 28 H N 0.146 119.100 119.070 -0.194 0.000 2.270 28 H HA -0.079 4.477 4.556 0.000 0.000 0.299 28 H C 1.982 177.206 175.328 -0.173 0.000 1.077 28 H CA 2.001 57.936 56.048 -0.189 0.000 1.294 28 H CB -0.366 29.264 29.762 -0.220 0.000 1.371 28 H HN 0.395 nan 8.280 nan 0.000 0.491 29 L N 0.519 121.526 121.223 -0.359 0.000 2.043 29 L HA -0.212 4.128 4.340 0.000 0.000 0.212 29 L C 3.180 180.037 176.870 -0.022 0.000 1.075 29 L CA 1.171 55.858 54.840 -0.255 0.000 0.752 29 L CB -0.644 41.199 42.059 -0.359 0.000 0.891 29 L HN 0.347 nan 8.230 nan 0.000 0.432 30 A N -0.692 122.115 122.820 -0.021 0.000 1.877 30 A HA -0.189 4.131 4.320 0.000 0.000 0.216 30 A C 2.505 180.177 177.584 0.147 0.000 1.186 30 A CA 2.119 54.254 52.037 0.163 0.000 0.620 30 A CB -0.614 18.456 19.000 0.117 0.000 0.822 30 A HN 0.384 nan 8.150 nan 0.000 0.443 31 S N -0.319 115.392 115.700 0.019 0.000 2.355 31 S HA -0.155 4.315 4.470 0.000 0.000 0.222 31 S C 1.779 176.329 174.600 -0.085 0.000 1.031 31 S CA 1.423 59.609 58.200 -0.023 0.000 0.993 31 S CB -0.471 62.676 63.200 -0.088 0.000 0.859 31 S HN 0.725 nan 8.310 nan 0.000 0.453 32 D N 0.830 121.099 120.400 -0.219 0.000 2.106 32 D HA -0.177 4.463 4.640 0.000 0.000 0.191 32 D C 1.698 177.985 176.300 -0.021 0.000 0.997 32 D CA 1.247 55.118 54.000 -0.214 0.000 0.834 32 D CB -0.284 40.289 40.800 -0.379 0.000 0.956 32 D HN 0.298 nan 8.370 nan 0.000 0.448 33 F N 0.725 120.643 119.950 -0.054 0.000 2.095 33 F HA -0.057 4.470 4.527 0.000 0.000 0.298 33 F C 2.184 178.026 175.800 0.070 0.000 1.104 33 F CA 2.290 60.301 58.000 0.018 0.000 1.232 33 F CB -0.839 38.184 39.000 0.038 0.000 0.987 33 F HN 0.021 nan 8.300 nan 0.000 0.475 34 G N -0.012 108.719 108.800 -0.115 0.000 2.418 34 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 34 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 34 G C 1.663 176.599 174.900 0.060 0.000 1.158 34 G CA 1.158 46.207 45.100 -0.085 0.000 0.771 34 G HN 0.370 nan 8.290 nan 0.000 0.545 35 V N 0.415 120.333 119.914 0.006 0.000 2.913 35 V HA -0.057 4.063 4.120 0.000 0.000 0.260 35 V C 2.709 178.837 176.094 0.056 0.000 1.098 35 V CA 1.397 63.717 62.300 0.032 0.000 1.121 35 V CB -0.375 31.407 31.823 -0.069 0.000 0.714 35 V HN 0.345 nan 8.190 nan 0.000 0.487 36 R N -0.781 119.697 120.500 -0.037 0.000 2.223 36 R HA 0.065 4.405 4.340 0.000 0.000 0.198 36 R C 2.086 178.319 176.300 -0.112 0.000 0.984 36 R CA 0.563 56.631 56.100 -0.053 0.000 1.018 36 R CB -0.035 30.241 30.300 -0.041 0.000 0.945 36 R HN 0.423 nan 8.270 nan 0.000 0.479 37 V N 0.882 120.683 119.914 -0.189 0.000 2.407 37 V HA -0.198 3.922 4.120 0.000 0.000 0.245 37 V C 1.929 177.840 176.094 -0.305 0.000 1.041 37 V CA 1.435 63.602 62.300 -0.222 0.000 1.040 37 V CB -0.575 31.133 31.823 -0.192 0.000 0.671 37 V HN 0.169 nan 8.190 nan 0.000 0.455 38 F N 1.420 121.099 119.950 -0.450 0.000 2.120 38 F HA -0.267 4.261 4.527 0.000 0.000 0.300 38 F C 2.496 178.078 175.800 -0.363 0.000 1.095 38 F CA 2.045 59.651 58.000 -0.657 0.000 1.249 38 F CB -0.406 38.469 39.000 -0.208 0.000 0.995 38 F HN 0.149 nan 8.300 nan 0.000 0.480 39 Q N -0.421 119.239 119.800 -0.233 0.000 2.181 39 Q HA -0.237 4.103 4.340 0.000 0.000 0.205 39 Q C 2.153 177.973 176.000 -0.301 0.000 0.980 39 Q CA 1.623 57.266 55.803 -0.265 0.000 0.862 39 Q CB -0.263 28.430 28.738 -0.075 0.000 0.905 39 Q HN 0.543 nan 8.270 nan 0.000 0.429 40 Q N -0.325 119.313 119.800 -0.269 0.000 2.137 40 Q HA -0.061 4.279 4.340 0.000 0.000 0.198 40 Q C 2.278 178.112 176.000 -0.277 0.000 0.960 40 Q CA 0.893 56.565 55.803 -0.220 0.000 0.847 40 Q CB -0.180 28.460 28.738 -0.163 0.000 0.915 40 Q HN 0.254 nan 8.270 nan 0.000 0.448 41 V N 1.311 120.984 119.914 -0.401 0.000 2.427 41 V HA -0.192 3.928 4.120 0.000 0.000 0.248 41 V C 2.330 178.177 176.094 -0.411 0.000 1.051 41 V CA 1.681 63.738 62.300 -0.406 0.000 1.048 41 V CB -0.962 30.520 31.823 -0.567 0.000 0.666 41 V HN 0.289 nan 8.190 nan 0.000 0.456 42 A N -0.693 121.771 122.820 -0.593 0.000 1.929 42 A HA -0.208 4.112 4.320 0.000 0.000 0.216 42 A C 2.115 179.524 177.584 -0.293 0.000 1.176 42 A CA 1.356 53.071 52.037 -0.536 0.000 0.628 42 A CB -0.382 18.111 19.000 -0.846 0.000 0.816 42 A HN 0.594 nan 8.150 nan 0.000 0.444 43 Q N -0.815 118.835 119.800 -0.250 0.000 2.488 43 Q HA 0.158 4.498 4.340 0.000 0.000 0.211 43 Q C 1.885 177.812 176.000 -0.122 0.000 0.967 43 Q CA 0.708 56.421 55.803 -0.150 0.000 0.926 43 Q CB -0.127 28.537 28.738 -0.123 0.000 0.992 43 Q HN 0.687 nan 8.270 nan 0.000 0.506 44 A N -0.111 122.622 122.820 -0.145 0.000 2.063 44 A HA 0.118 4.438 4.320 0.000 0.000 0.211 44 A C 1.104 178.630 177.584 -0.096 0.000 1.177 44 A CA 0.154 52.125 52.037 -0.111 0.000 0.759 44 A CB 0.623 19.551 19.000 -0.120 0.000 0.857 44 A HN 0.070 nan 8.150 nan 0.000 0.468 45 S N 1.205 116.833 115.700 -0.120 0.000 2.217 45 S HA 0.164 4.634 4.470 0.000 0.000 0.168 45 S C 1.083 175.633 174.600 -0.084 0.000 1.526 45 S CA -0.619 57.527 58.200 -0.090 0.000 1.150 45 S CB 0.625 63.768 63.200 -0.095 0.000 1.158 45 S HN 0.574 nan 8.310 nan 0.000 0.473 46 K N 1.113 121.476 120.400 -0.061 0.000 2.057 46 K HA -0.016 4.304 4.320 0.000 0.000 0.206 46 K C -0.040 176.551 176.600 -0.014 0.000 1.050 46 K CA 1.307 57.570 56.287 -0.041 0.000 0.935 46 K CB -0.105 32.377 32.500 -0.029 0.000 0.715 46 K HN 0.294 nan 8.250 nan 0.000 0.439 47 D N 1.195 121.590 120.400 -0.008 0.000 2.395 47 D HA 0.052 4.692 4.640 0.000 0.000 0.213 47 D C 0.186 176.490 176.300 0.007 0.000 1.110 47 D CA -0.037 53.969 54.000 0.009 0.000 0.835 47 D CB 0.613 41.420 40.800 0.012 0.000 0.965 47 D HN 0.313 nan 8.370 nan 0.000 0.505 48 R N 0.321 120.818 120.500 -0.005 0.000 2.778 48 R HA 0.412 4.752 4.340 0.000 0.000 0.277 48 R C -0.406 175.892 176.300 -0.003 0.000 0.977 48 R CA -0.638 55.459 56.100 -0.006 0.000 0.950 48 R CB 0.947 31.242 30.300 -0.009 0.000 1.165 48 R HN -0.257 nan 8.270 nan 0.000 0.474 49 N N 0.435 119.131 118.700 -0.006 0.000 2.454 49 N HA 0.125 4.865 4.740 0.000 0.000 0.260 49 N C -0.967 174.564 175.510 0.036 0.000 1.218 49 N CA -0.041 53.009 53.050 -0.001 0.000 0.904 49 N CB 0.970 39.442 38.487 -0.026 0.000 1.065 49 N HN 0.227 nan 8.380 nan 0.000 0.462 50 V N 2.875 122.835 119.914 0.077 0.000 2.488 50 V HA 0.187 4.307 4.120 0.000 0.000 0.293 50 V C -0.451 175.794 176.094 0.252 0.000 1.027 50 V CA -0.809 61.575 62.300 0.139 0.000 0.862 50 V CB 1.624 33.499 31.823 0.087 0.000 1.008 50 V HN 0.356 nan 8.190 nan 0.000 0.428 51 V N 6.525 126.586 119.914 0.246 0.000 2.370 51 V HA 0.736 4.856 4.120 0.000 0.000 0.283 51 V C -1.143 175.167 176.094 0.360 0.000 1.023 51 V CA -0.196 62.270 62.300 0.277 0.000 0.857 51 V CB 1.321 33.276 31.823 0.220 0.000 0.985 51 V HN 0.665 nan 8.190 nan 0.000 0.443 52 F N 4.718 124.777 119.950 0.181 0.000 2.598 52 F HA 0.749 5.276 4.527 0.000 0.000 0.327 52 F C 0.075 175.928 175.800 0.088 0.000 1.057 52 F CA -0.571 57.531 58.000 0.170 0.000 0.957 52 F CB 2.425 41.628 39.000 0.337 0.000 1.278 52 F HN 0.407 nan 8.300 nan 0.000 0.484 53 S N 4.320 119.619 115.700 -0.668 0.000 2.718 53 S HA 0.414 4.884 4.470 0.000 0.000 0.294 53 S C -2.259 171.948 174.600 -0.655 0.000 1.157 53 S CA -1.521 56.404 58.200 -0.458 0.000 1.121 53 S CB 1.054 64.100 63.200 -0.256 0.000 1.015 53 S HN 0.400 nan 8.310 nan 0.000 0.479 54 P HA -0.120 nan 4.420 nan 0.000 0.215 54 P C 0.951 178.234 177.300 -0.027 0.000 1.157 54 P CA 0.842 63.892 63.100 -0.082 0.000 0.868 54 P CB -0.045 31.662 31.700 0.012 0.000 0.788 55 Y N 0.671 120.914 120.300 -0.095 0.000 2.165 55 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 55 Y C 2.421 178.319 175.900 -0.003 0.000 1.155 55 Y CA 2.050 60.136 58.100 -0.024 0.000 1.164 55 Y CB -1.155 37.285 38.460 -0.033 0.000 0.978 55 Y HN -0.132 nan 8.280 nan 0.000 0.513 56 G N -0.523 108.250 108.800 -0.045 0.000 2.476 56 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 56 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 56 G C 1.605 176.448 174.900 -0.095 0.000 1.164 56 G CA 1.916 46.962 45.100 -0.090 0.000 0.768 56 G HN 0.382 nan 8.290 nan 0.000 0.560 57 V N 1.148 121.011 119.914 -0.085 0.000 2.427 57 V HA -0.008 4.112 4.120 0.000 0.000 0.248 57 V C 3.231 179.439 176.094 0.191 0.000 1.051 57 V CA 1.714 64.062 62.300 0.080 0.000 1.048 57 V CB -1.121 30.790 31.823 0.145 0.000 0.666 57 V HN 0.447 nan 8.190 nan 0.000 0.456 58 A N 0.360 123.279 122.820 0.165 0.000 1.933 58 A HA -0.193 4.127 4.320 0.000 0.000 0.218 58 A C 2.500 180.063 177.584 -0.036 0.000 1.175 58 A CA 2.250 54.378 52.037 0.151 0.000 0.628 58 A CB -0.763 18.313 19.000 0.127 0.000 0.814 58 A HN 0.503 nan 8.150 nan 0.000 0.444 59 S N -0.478 115.123 115.700 -0.164 0.000 2.356 59 S HA -0.162 4.308 4.470 0.000 0.000 0.223 59 S C 2.038 176.584 174.600 -0.090 0.000 1.032 59 S CA 1.767 59.887 58.200 -0.134 0.000 1.005 59 S CB -0.696 62.398 63.200 -0.176 0.000 0.867 59 S HN 0.879 nan 8.310 nan 0.000 0.449 60 V N -0.503 119.378 119.914 -0.055 0.000 2.591 60 V HA 0.063 4.183 4.120 0.000 0.000 0.249 60 V C 1.987 178.054 176.094 -0.044 0.000 1.053 60 V CA 1.064 63.336 62.300 -0.047 0.000 1.068 60 V CB -0.806 31.025 31.823 0.013 0.000 0.689 60 V HN 0.257 nan 8.190 nan 0.000 0.462 61 L N 1.105 122.313 121.223 -0.026 0.000 2.141 61 L HA 0.145 4.485 4.340 0.000 0.000 0.209 61 L C 2.833 179.629 176.870 -0.123 0.000 1.094 61 L CA 1.972 56.767 54.840 -0.075 0.000 0.763 61 L CB -0.936 41.050 42.059 -0.122 0.000 0.908 61 L HN 0.369 nan 8.230 nan 0.000 0.437 62 A N -0.907 121.854 122.820 -0.098 0.000 1.902 62 A HA -0.242 4.078 4.320 0.000 0.000 0.217 62 A C 2.299 179.939 177.584 0.094 0.000 1.181 62 A CA 1.965 54.007 52.037 0.008 0.000 0.623 62 A CB -0.467 18.636 19.000 0.171 0.000 0.818 62 A HN 0.386 nan 8.150 nan 0.000 0.443 63 M N -1.421 118.065 119.600 -0.190 0.000 2.117 63 M HA -0.103 4.377 4.480 0.000 0.000 0.262 63 M C 2.158 178.507 176.300 0.082 0.000 1.065 63 M CA 1.269 56.373 55.300 -0.327 0.000 1.114 63 M CB -0.419 31.958 32.600 -0.372 0.000 1.361 63 M HN 0.419 nan 8.290 nan 0.000 0.408 64 L N 0.766 122.002 121.223 0.023 0.000 2.191 64 L HA -0.194 4.146 4.340 0.000 0.000 0.212 64 L C 2.346 179.215 176.870 -0.000 0.000 1.103 64 L CA 1.786 56.641 54.840 0.025 0.000 0.769 64 L CB -0.577 41.463 42.059 -0.031 0.000 0.908 64 L HN 0.319 nan 8.230 nan 0.000 0.438 65 Q N -0.969 118.830 119.800 -0.000 0.000 2.248 65 Q HA -0.222 4.119 4.340 0.000 0.000 0.208 65 Q C 2.161 178.202 176.000 0.068 0.000 0.984 65 Q CA 1.569 57.360 55.803 -0.019 0.000 0.875 65 Q CB -0.192 28.520 28.738 -0.044 0.000 0.910 65 Q HN 0.554 nan 8.270 nan 0.000 0.433 66 L N -0.135 121.214 121.223 0.209 0.000 2.162 66 L HA -0.080 4.260 4.340 0.000 0.000 0.205 66 L C 2.635 179.752 176.870 0.413 0.000 1.086 66 L CA 1.441 56.478 54.840 0.328 0.000 0.778 66 L CB -0.555 41.780 42.059 0.461 0.000 0.928 66 L HN 0.348 nan 8.230 nan 0.000 0.446 67 T N -3.579 111.194 114.554 0.365 0.000 2.995 67 T HA -0.056 4.294 4.350 0.000 0.000 0.269 67 T C 1.031 175.697 174.700 -0.057 0.000 1.091 67 T CA 0.734 62.983 62.100 0.249 0.000 1.128 67 T CB -0.674 68.322 68.868 0.213 0.000 0.891 67 T HN 0.367 nan 8.240 nan 0.000 0.492 68 T N -1.302 113.122 114.554 -0.215 0.000 2.936 68 T HA 0.737 5.087 4.350 0.000 0.000 0.282 68 T C 0.232 174.821 174.700 -0.185 0.000 1.003 68 T CA -0.356 61.490 62.100 -0.423 0.000 1.005 68 T CB 1.738 70.248 68.868 -0.596 0.000 1.097 68 T HN 0.509 nan 8.240 nan 0.000 0.532 69 G N -1.864 106.828 108.800 -0.180 0.000 2.721 69 G HA2 0.686 4.646 3.960 0.000 0.000 0.296 69 G HA3 0.686 4.646 3.960 0.000 0.000 0.296 69 G C 0.271 175.127 174.900 -0.074 0.000 1.383 69 G CA -0.059 44.990 45.100 -0.085 0.000 0.788 69 G HN 1.585 nan 8.290 nan 0.000 0.500 70 G N -0.263 108.512 108.800 -0.040 0.000 2.582 70 G HA2 -0.316 3.644 3.960 0.000 0.000 0.288 70 G HA3 -0.316 3.644 3.960 0.000 0.000 0.288 70 G C 1.063 175.942 174.900 -0.035 0.000 1.247 70 G CA 1.192 46.275 45.100 -0.028 0.000 0.972 70 G HN 1.066 nan 8.290 nan 0.000 0.557 71 E N -0.748 119.437 120.200 -0.024 0.000 2.150 71 E HA -0.057 4.293 4.350 0.000 0.000 0.193 71 E C 2.709 179.285 176.600 -0.039 0.000 0.985 71 E CA 1.728 58.115 56.400 -0.022 0.000 0.814 71 E CB -0.287 29.411 29.700 -0.004 0.000 0.752 71 E HN 0.530 nan 8.360 nan 0.000 0.466 72 T N 0.705 115.224 114.554 -0.058 0.000 2.652 72 T HA -0.262 4.088 4.350 0.000 0.000 0.267 72 T C 1.796 176.419 174.700 -0.129 0.000 1.039 72 T CA 1.645 63.687 62.100 -0.097 0.000 1.153 72 T CB -0.293 68.485 68.868 -0.150 0.000 0.863 72 T HN 0.294 nan 8.240 nan 0.000 0.428 73 Q N 0.481 120.198 119.800 -0.138 0.000 2.084 73 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 73 Q C 2.379 178.317 176.000 -0.103 0.000 0.978 73 Q CA 1.425 57.149 55.803 -0.132 0.000 0.844 73 Q CB -0.124 28.550 28.738 -0.105 0.000 0.898 73 Q HN 0.590 nan 8.270 nan 0.000 0.426 74 Q N -0.231 119.525 119.800 -0.074 0.000 2.124 74 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 74 Q C 2.136 178.100 176.000 -0.059 0.000 0.977 74 Q CA 1.567 57.336 55.803 -0.058 0.000 0.850 74 Q CB 0.060 28.777 28.738 -0.035 0.000 0.901 74 Q HN 0.516 nan 8.270 nan 0.000 0.429 75 Q N 0.134 119.902 119.800 -0.053 0.000 2.084 75 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 75 Q C 2.086 178.050 176.000 -0.061 0.000 0.978 75 Q CA 1.099 56.881 55.803 -0.035 0.000 0.844 75 Q CB -0.056 28.674 28.738 -0.012 0.000 0.898 75 Q HN 0.433 nan 8.270 nan 0.000 0.426 76 I N 0.608 121.116 120.570 -0.103 0.000 2.226 76 I HA -0.306 3.864 4.170 0.000 0.000 0.245 76 I C 2.155 178.126 176.117 -0.243 0.000 1.100 76 I CA 1.326 62.525 61.300 -0.168 0.000 1.374 76 I CB -0.269 37.616 38.000 -0.192 0.000 1.057 76 I HN 0.275 nan 8.210 nan 0.000 0.413 77 Q N 0.546 120.224 119.800 -0.202 0.000 2.172 77 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 77 Q C 2.438 178.342 176.000 -0.159 0.000 0.964 77 Q CA 1.365 57.032 55.803 -0.227 0.000 0.855 77 Q CB -0.163 28.480 28.738 -0.159 0.000 0.918 77 Q HN 0.555 nan 8.270 nan 0.000 0.444 78 A N 1.111 123.874 122.820 -0.095 0.000 1.897 78 A HA -0.056 4.264 4.320 0.000 0.000 0.215 78 A C 2.259 179.826 177.584 -0.027 0.000 1.181 78 A CA 1.428 53.441 52.037 -0.040 0.000 0.620 78 A CB -0.758 18.233 19.000 -0.015 0.000 0.821 78 A HN 0.371 nan 8.150 nan 0.000 0.443 79 A N -0.277 122.518 122.820 -0.041 0.000 1.845 79 A HA -0.130 4.190 4.320 0.000 0.000 0.215 79 A C 2.298 179.869 177.584 -0.022 0.000 1.195 79 A CA 1.891 53.943 52.037 0.025 0.000 0.616 79 A CB -0.645 18.396 19.000 0.069 0.000 0.832 79 A HN 0.497 nan 8.150 nan 0.000 0.443 80 M N -1.927 117.475 119.600 -0.329 0.000 2.108 80 M HA -0.026 4.454 4.480 0.000 0.000 0.261 80 M C 1.646 177.876 176.300 -0.115 0.000 1.066 80 M CA 1.670 56.670 55.300 -0.500 0.000 1.107 80 M CB -0.329 31.719 32.600 -0.920 0.000 1.356 80 M HN 0.783 nan 8.290 nan 0.000 0.406 81 G N 0.548 109.295 108.800 -0.089 0.000 2.148 81 G HA2 -0.214 3.746 3.960 0.000 0.000 0.203 81 G HA3 -0.214 3.746 3.960 0.000 0.000 0.203 81 G C -0.172 174.871 174.900 0.238 0.000 0.993 81 G CA -0.022 45.138 45.100 0.099 0.000 0.661 81 G HN 0.562 nan 8.290 nan 0.000 0.518 82 F N -1.745 118.173 119.950 -0.053 0.000 2.770 82 F HA 0.782 5.309 4.527 0.000 0.000 0.313 82 F C -1.041 174.734 175.800 -0.043 0.000 1.154 82 F CA -1.971 56.015 58.000 -0.024 0.000 0.923 82 F CB 0.715 39.705 39.000 -0.017 0.000 1.301 82 F HN -0.011 nan 8.300 nan 0.000 0.449 83 K N 2.344 122.808 120.400 0.107 0.000 2.307 83 K HA 0.423 4.743 4.320 0.000 0.000 0.263 83 K C 0.124 176.775 176.600 0.085 0.000 0.973 83 K CA -0.875 55.407 56.287 -0.010 0.000 0.846 83 K CB 2.488 34.995 32.500 0.012 0.000 1.100 83 K HN 0.644 nan 8.250 nan 0.000 0.438 84 I N 2.645 123.217 120.570 0.003 0.000 3.010 84 I HA -0.182 3.988 4.170 0.000 0.000 0.271 84 I C 0.652 176.734 176.117 -0.057 0.000 1.293 84 I CA 1.396 62.704 61.300 0.012 0.000 1.452 84 I CB -0.332 37.664 38.000 -0.007 0.000 1.082 84 I HN 0.676 nan 8.210 nan 0.000 0.484 85 D N 0.258 120.651 120.400 -0.010 0.000 2.197 85 D HA -0.048 4.592 4.640 0.000 0.000 0.212 85 D C 0.674 176.976 176.300 0.004 0.000 0.963 85 D CA 0.343 54.345 54.000 0.004 0.000 0.864 85 D CB 0.009 40.828 40.800 0.033 0.000 1.009 85 D HN 0.229 nan 8.370 nan 0.000 0.479 86 D N 1.322 121.734 120.400 0.020 0.000 2.371 86 D HA -0.107 4.533 4.640 0.000 0.000 0.231 86 D C 0.608 176.907 176.300 -0.001 0.000 1.283 86 D CA 0.522 54.534 54.000 0.020 0.000 0.884 86 D CB 0.500 41.328 40.800 0.047 0.000 1.235 86 D HN -0.106 nan 8.370 nan 0.000 0.503 87 K N -0.099 120.298 120.400 -0.006 0.000 2.412 87 K HA 0.218 4.538 4.320 0.000 0.000 0.281 87 K C 1.097 177.679 176.600 -0.030 0.000 1.027 87 K CA 0.608 56.883 56.287 -0.021 0.000 0.989 87 K CB 0.206 32.694 32.500 -0.021 0.000 0.935 87 K HN 0.565 nan 8.250 nan 0.000 0.475 88 G N 3.758 112.533 108.800 -0.042 0.000 2.205 88 G HA2 -0.343 3.617 3.960 0.000 0.000 0.269 88 G HA3 -0.343 3.617 3.960 0.000 0.000 0.269 88 G C 0.664 175.529 174.900 -0.057 0.000 0.977 88 G CA 0.804 45.875 45.100 -0.048 0.000 0.652 88 G HN 0.642 nan 8.290 nan 0.000 0.539 89 M N 0.795 120.364 119.600 -0.050 0.000 2.077 89 M HA 0.360 4.840 4.480 0.000 0.000 0.261 89 M C 2.792 179.024 176.300 -0.114 0.000 1.070 89 M CA 2.722 57.996 55.300 -0.044 0.000 1.125 89 M CB -0.774 31.843 32.600 0.029 0.000 1.339 89 M HN 0.630 nan 8.290 nan 0.000 0.409 90 A N -0.271 122.443 122.820 -0.178 0.000 1.897 90 A HA -0.004 4.316 4.320 0.000 0.000 0.215 90 A C -0.360 177.046 177.584 -0.295 0.000 1.181 90 A CA 1.178 53.033 52.037 -0.305 0.000 0.620 90 A CB -2.065 16.671 19.000 -0.439 0.000 0.821 90 A HN 0.401 nan 8.150 nan 0.000 0.443 91 P HA -0.077 nan 4.420 nan 0.000 0.220 91 P C 1.596 178.717 177.300 -0.298 0.000 1.148 91 P CA 1.684 64.618 63.100 -0.277 0.000 0.803 91 P CB -0.009 31.600 31.700 -0.151 0.000 0.782 92 A N -0.627 122.105 122.820 -0.147 0.000 1.929 92 A HA -0.126 4.194 4.320 0.000 0.000 0.216 92 A C 2.028 179.513 177.584 -0.166 0.000 1.176 92 A CA 1.113 53.105 52.037 -0.075 0.000 0.628 92 A CB -1.543 17.414 19.000 -0.073 0.000 0.816 92 A HN 0.155 nan 8.150 nan 0.000 0.444 93 L N -0.254 120.817 121.223 -0.254 0.000 2.201 93 L HA -0.028 4.312 4.340 0.000 0.000 0.212 93 L C 2.263 178.761 176.870 -0.620 0.000 1.105 93 L CA 1.611 56.225 54.840 -0.376 0.000 0.775 93 L CB -0.490 41.376 42.059 -0.322 0.000 0.913 93 L HN 0.320 nan 8.230 nan 0.000 0.440 94 R N -1.799 118.427 120.500 -0.456 0.000 2.119 94 R HA -0.052 4.288 4.340 0.000 0.000 0.222 94 R C 2.041 178.227 176.300 -0.190 0.000 1.088 94 R CA 1.269 57.167 56.100 -0.337 0.000 0.984 94 R CB -0.363 29.762 30.300 -0.291 0.000 0.884 94 R HN 0.537 nan 8.270 nan 0.000 0.447 95 H N -0.312 118.711 119.070 -0.079 0.000 2.495 95 H HA -0.064 4.492 4.556 0.000 0.000 0.287 95 H C 1.758 177.105 175.328 0.033 0.000 1.033 95 H CA 0.595 56.645 56.048 0.003 0.000 1.307 95 H CB 0.286 30.037 29.762 -0.019 0.000 1.401 95 H HN 0.024 nan 8.280 nan 0.000 0.555 96 L N -0.156 121.091 121.223 0.041 0.000 2.072 96 L HA -0.170 4.170 4.340 0.000 0.000 0.205 96 L C 1.464 178.402 176.870 0.113 0.000 1.079 96 L CA 1.469 56.330 54.840 0.035 0.000 0.752 96 L CB -0.558 41.464 42.059 -0.063 0.000 0.906 96 L HN 0.186 nan 8.230 nan 0.000 0.436 97 Y N 0.439 120.796 120.300 0.096 0.000 2.165 97 Y HA -0.247 4.303 4.550 0.000 0.000 0.286 97 Y C 2.531 178.465 175.900 0.056 0.000 1.155 97 Y CA 1.321 59.467 58.100 0.078 0.000 1.164 97 Y CB -0.822 37.681 38.460 0.072 0.000 0.978 97 Y HN 0.251 nan 8.280 nan 0.000 0.513 98 K N -0.105 120.450 120.400 0.257 0.000 2.001 98 K HA -0.181 4.139 4.320 0.000 0.000 0.208 98 K C 2.103 178.842 176.600 0.232 0.000 1.048 98 K CA 1.421 57.842 56.287 0.222 0.000 0.932 98 K CB -0.244 32.416 32.500 0.266 0.000 0.715 98 K HN 0.273 nan 8.250 nan 0.000 0.437 99 E N 0.957 121.330 120.200 0.289 0.000 2.153 99 E HA -0.152 4.198 4.350 0.000 0.000 0.194 99 E C 1.923 178.620 176.600 0.162 0.000 0.988 99 E CA 0.689 57.313 56.400 0.373 0.000 0.811 99 E CB 0.094 29.984 29.700 0.317 0.000 0.746 99 E HN 0.212 nan 8.360 nan 0.000 0.466 100 L N -0.342 120.915 121.223 0.058 0.000 2.109 100 L HA -0.097 4.243 4.340 0.000 0.000 0.207 100 L C 2.015 178.804 176.870 -0.134 0.000 1.086 100 L CA 0.857 55.661 54.840 -0.061 0.000 0.760 100 L CB -0.083 41.925 42.059 -0.086 0.000 0.910 100 L HN 0.234 nan 8.230 nan 0.000 0.437 101 M N -0.395 119.133 119.600 -0.120 0.000 2.493 101 M HA 0.181 4.661 4.480 0.000 0.000 0.244 101 M C 0.763 176.832 176.300 -0.385 0.000 1.182 101 M CA -0.248 54.946 55.300 -0.177 0.000 0.981 101 M CB 0.196 32.750 32.600 -0.076 0.000 1.551 101 M HN 0.073 nan 8.290 nan 0.000 0.476 102 G N 0.959 109.309 108.800 -0.751 0.000 2.415 102 G HA2 0.270 4.230 3.960 0.000 0.000 0.269 102 G HA3 0.270 4.230 3.960 0.000 0.000 0.269 102 G C -2.213 171.875 174.900 -1.354 0.000 1.209 102 G CA -1.107 42.949 45.100 -1.740 0.000 0.835 102 G HN 0.110 nan 8.290 nan 0.000 0.534 103 P HA -0.103 nan 4.420 nan 0.000 0.221 103 P C 1.242 178.438 177.300 -0.172 0.000 1.145 103 P CA 1.098 64.007 63.100 -0.319 0.000 0.795 103 P CB 0.057 31.706 31.700 -0.085 0.000 0.775 104 W N -1.141 120.160 121.300 0.001 0.000 2.538 104 W HA 0.021 4.681 4.660 0.000 0.000 0.254 104 W C 1.283 177.794 176.519 -0.013 0.000 1.249 104 W CA 0.256 57.597 57.345 -0.007 0.000 1.253 104 W CB -1.987 27.471 29.460 -0.004 0.000 1.130 104 W HN -0.106 nan 8.180 nan 0.000 0.618 105 N N 1.334 119.947 118.700 -0.144 0.000 2.463 105 N HA -0.089 4.651 4.740 0.000 0.000 0.181 105 N C 1.078 176.554 175.510 -0.058 0.000 1.078 105 N CA 1.376 54.389 53.050 -0.062 0.000 0.902 105 N CB -0.139 38.258 38.487 -0.149 0.000 0.970 105 N HN 0.353 nan 8.380 nan 0.000 0.451 106 K N -0.183 120.157 120.400 -0.099 0.000 5.191 106 K HA -0.178 4.142 4.320 0.000 0.000 0.418 106 K C -0.792 175.757 176.600 -0.086 0.000 0.479 106 K CA 1.770 57.954 56.287 -0.172 0.000 1.786 106 K CB -0.780 31.475 32.500 -0.408 0.000 1.038 106 K HN 0.196 nan 8.250 nan 0.000 0.609 107 D N 1.675 122.081 120.400 0.010 0.000 2.264 107 D HA 0.044 4.684 4.640 0.000 0.000 0.250 107 D C -0.229 176.132 176.300 0.102 0.000 1.113 107 D CA 0.004 54.087 54.000 0.139 0.000 0.871 107 D CB 1.391 42.348 40.800 0.261 0.000 1.167 107 D HN 0.244 nan 8.370 nan 0.000 0.447 108 E N 2.862 123.113 120.200 0.086 0.000 2.259 108 E HA 0.292 4.642 4.350 0.000 0.000 0.281 108 E C -0.710 176.016 176.600 0.210 0.000 1.037 108 E CA -0.258 56.198 56.400 0.093 0.000 0.854 108 E CB 0.659 30.411 29.700 0.086 0.000 1.051 108 E HN 0.393 nan 8.360 nan 0.000 0.409 109 I N 2.645 123.290 120.570 0.125 0.000 2.785 109 I HA 0.254 4.424 4.170 0.000 0.000 0.302 109 I C -0.498 175.673 176.117 0.090 0.000 1.069 109 I CA -0.799 60.570 61.300 0.115 0.000 1.045 109 I CB 2.246 40.215 38.000 -0.052 0.000 1.236 109 I HN 0.377 nan 8.210 nan 0.000 0.429 110 S N 2.902 118.677 115.700 0.125 0.000 2.423 110 S HA 0.270 4.740 4.470 0.000 0.000 0.213 110 S C -0.817 173.820 174.600 0.062 0.000 1.131 110 S CA -0.402 57.844 58.200 0.077 0.000 1.155 110 S CB 0.961 64.202 63.200 0.068 0.000 1.202 110 S HN 0.714 nan 8.310 nan 0.000 0.441 111 T N 3.145 117.707 114.554 0.015 0.000 2.867 111 T HA 0.780 5.130 4.350 0.000 0.000 0.282 111 T C -0.750 173.884 174.700 -0.111 0.000 1.000 111 T CA 0.063 62.165 62.100 0.004 0.000 1.042 111 T CB 1.118 70.040 68.868 0.090 0.000 0.973 111 T HN 0.612 nan 8.240 nan 0.000 0.465 112 T N 4.530 119.032 114.554 -0.086 0.000 3.105 112 T HA 0.396 4.746 4.350 0.000 0.000 0.321 112 T C -1.633 173.132 174.700 0.109 0.000 1.135 112 T CA -0.941 61.109 62.100 -0.084 0.000 1.053 112 T CB 1.387 70.154 68.868 -0.167 0.000 1.133 112 T HN 0.620 nan 8.240 nan 0.000 0.463 113 D N 1.201 121.610 120.400 0.014 0.000 2.269 113 D HA 0.746 5.386 4.640 0.000 0.000 0.244 113 D C -0.515 175.704 176.300 -0.136 0.000 0.992 113 D CA -0.573 53.422 54.000 -0.008 0.000 0.894 113 D CB 2.487 43.203 40.800 -0.140 0.000 1.248 113 D HN 0.734 nan 8.370 nan 0.000 0.468 114 A N 1.242 123.839 122.820 -0.372 0.000 2.587 114 A HA 0.709 5.029 4.320 0.000 0.000 0.293 114 A C -1.500 175.713 177.584 -0.618 0.000 1.087 114 A CA -0.717 50.880 52.037 -0.734 0.000 0.692 114 A CB 1.827 19.836 19.000 -1.651 0.000 1.291 114 A HN 0.566 nan 8.150 nan 0.000 0.407 115 I N 0.571 120.697 120.570 -0.741 0.000 2.534 115 I HA 0.690 4.860 4.170 0.000 0.000 0.288 115 I C -2.051 173.632 176.117 -0.723 0.000 1.077 115 I CA -0.853 60.142 61.300 -0.509 0.000 1.051 115 I CB 1.305 39.121 38.000 -0.308 0.000 1.234 115 I HN 0.544 nan 8.210 nan 0.000 0.425 116 F N 6.961 126.849 119.950 -0.104 0.000 2.427 116 F HA 0.579 5.106 4.527 0.000 0.000 0.348 116 F C -0.248 175.598 175.800 0.076 0.000 1.125 116 F CA -0.698 57.279 58.000 -0.038 0.000 0.989 116 F CB 1.746 40.744 39.000 -0.004 0.000 1.165 116 F HN 0.012 nan 8.300 nan 0.000 0.442 117 V N 1.966 121.976 119.914 0.160 0.000 2.815 117 V HA 0.398 4.518 4.120 0.000 0.000 0.314 117 V C -0.373 175.835 176.094 0.191 0.000 1.064 117 V CA -1.163 61.230 62.300 0.155 0.000 0.952 117 V CB 1.936 33.766 31.823 0.012 0.000 1.020 117 V HN 0.594 nan 8.190 nan 0.000 0.439 118 Q N 2.572 122.521 119.800 0.249 0.000 2.271 118 Q HA 0.127 4.467 4.340 0.000 0.000 0.273 118 Q C 1.447 177.488 176.000 0.068 0.000 1.051 118 Q CA 0.293 56.220 55.803 0.208 0.000 0.901 118 Q CB 0.732 29.594 28.738 0.207 0.000 1.174 118 Q HN 0.663 nan 8.270 nan 0.000 0.385 119 R N 2.369 122.885 120.500 0.026 0.000 2.117 119 R HA -0.200 4.140 4.340 0.000 0.000 0.243 119 R C 0.346 176.651 176.300 0.007 0.000 1.143 119 R CA 1.949 58.053 56.100 0.007 0.000 0.968 119 R CB -0.559 29.736 30.300 -0.008 0.000 0.863 119 R HN 0.727 nan 8.270 nan 0.000 0.444 120 D N 0.530 120.937 120.400 0.013 0.000 2.323 120 D HA 0.024 4.664 4.640 0.000 0.000 0.239 120 D C -0.055 176.244 176.300 -0.002 0.000 1.129 120 D CA -0.172 53.831 54.000 0.006 0.000 0.865 120 D CB 0.124 40.929 40.800 0.008 0.000 0.913 120 D HN 0.106 nan 8.370 nan 0.000 0.517 121 L N 1.160 122.380 121.223 -0.005 0.000 2.261 121 L HA 0.244 4.584 4.340 0.000 0.000 0.289 121 L C -0.373 176.476 176.870 -0.036 0.000 1.059 121 L CA -0.643 54.180 54.840 -0.028 0.000 0.816 121 L CB 0.659 42.694 42.059 -0.041 0.000 1.191 121 L HN -0.192 nan 8.230 nan 0.000 0.431 122 K N 6.851 127.230 120.400 -0.035 0.000 2.245 122 K HA 0.195 4.515 4.320 0.000 0.000 0.281 122 K C -0.478 176.093 176.600 -0.048 0.000 1.079 122 K CA 0.152 56.421 56.287 -0.029 0.000 1.000 122 K CB -0.370 32.118 32.500 -0.020 0.000 1.038 122 K HN 0.600 nan 8.250 nan 0.000 0.430 123 L N 2.458 123.652 121.223 -0.049 0.000 2.439 123 L HA 0.103 4.443 4.340 0.000 0.000 0.269 123 L C 1.151 178.006 176.870 -0.025 0.000 1.179 123 L CA -0.723 54.066 54.840 -0.084 0.000 0.828 123 L CB 0.218 42.250 42.059 -0.045 0.000 1.106 123 L HN 0.296 nan 8.230 nan 0.000 0.467 124 V N 0.292 120.187 119.914 -0.032 0.000 3.376 124 V HA 0.064 4.184 4.120 0.000 0.000 0.303 124 V C 0.257 176.401 176.094 0.084 0.000 1.100 124 V CA -0.680 61.635 62.300 0.025 0.000 1.126 124 V CB 0.558 32.400 31.823 0.032 0.000 1.085 124 V HN 0.921 nan 8.190 nan 0.000 0.480 125 Q N 0.902 120.745 119.800 0.071 0.000 2.313 125 Q HA 0.430 4.770 4.340 0.000 0.000 0.266 125 Q C 1.178 177.240 176.000 0.104 0.000 0.989 125 Q CA 0.756 56.605 55.803 0.076 0.000 0.890 125 Q CB 0.468 29.233 28.738 0.045 0.000 1.200 125 Q HN 1.750 nan 8.270 nan 0.000 0.396 126 G N 3.728 112.596 108.800 0.114 0.000 2.267 126 G HA2 -0.390 3.570 3.960 0.000 0.000 0.257 126 G HA3 -0.390 3.570 3.960 0.000 0.000 0.257 126 G C 0.320 175.333 174.900 0.189 0.000 0.998 126 G CA 0.390 45.559 45.100 0.116 0.000 0.620 126 G HN 0.771 nan 8.290 nan 0.000 0.529 127 F N 1.271 121.283 119.950 0.104 0.000 2.043 127 F HA -0.105 4.422 4.527 0.000 0.000 0.297 127 F C 2.814 178.741 175.800 0.211 0.000 1.121 127 F CA 2.939 61.036 58.000 0.162 0.000 1.199 127 F CB -0.221 38.836 39.000 0.095 0.000 0.968 127 F HN 0.182 nan 8.300 nan 0.000 0.478 128 M N 0.282 120.052 119.600 0.284 0.000 2.082 128 M HA -0.177 4.303 4.480 0.000 0.000 0.258 128 M C -0.159 176.218 176.300 0.129 0.000 1.071 128 M CA 2.268 57.670 55.300 0.171 0.000 1.103 128 M CB -2.642 30.062 32.600 0.175 0.000 1.307 128 M HN 0.059 nan 8.290 nan 0.000 0.409 129 P HA -0.152 nan 4.420 nan 0.000 0.216 129 P C 1.700 179.098 177.300 0.162 0.000 1.153 129 P CA 1.241 64.412 63.100 0.119 0.000 0.848 129 P CB -0.390 31.359 31.700 0.083 0.000 0.787 130 H N -1.453 117.637 119.070 0.034 0.000 2.321 130 H HA -0.164 4.392 4.556 0.000 0.000 0.300 130 H C 1.929 177.240 175.328 -0.029 0.000 1.087 130 H CA 1.407 57.450 56.048 -0.008 0.000 1.319 130 H CB -0.665 29.080 29.762 -0.029 0.000 1.379 130 H HN 0.034 nan 8.280 nan 0.000 0.501 131 F N 0.500 120.268 119.950 -0.304 0.000 2.126 131 F HA -0.238 4.289 4.527 0.000 0.000 0.299 131 F C 2.336 178.077 175.800 -0.097 0.000 1.096 131 F CA 1.602 59.408 58.000 -0.324 0.000 1.255 131 F CB -0.661 38.013 39.000 -0.544 0.000 0.997 131 F HN 0.133 nan 8.300 nan 0.000 0.479 132 F N 0.691 120.650 119.950 0.014 0.000 2.259 132 F HA -0.041 4.486 4.527 0.000 0.000 0.298 132 F C 2.619 178.352 175.800 -0.111 0.000 1.088 132 F CA 1.416 59.411 58.000 -0.009 0.000 1.358 132 F CB -0.475 38.552 39.000 0.046 0.000 1.040 132 F HN -0.184 nan 8.300 nan 0.000 0.505 133 R N -0.333 120.191 120.500 0.040 0.000 2.092 133 R HA -0.134 4.206 4.340 0.000 0.000 0.231 133 R C 1.910 178.047 176.300 -0.272 0.000 1.119 133 R CA 1.412 57.477 56.100 -0.058 0.000 0.970 133 R CB -0.235 30.052 30.300 -0.023 0.000 0.864 133 R HN 0.293 nan 8.270 nan 0.000 0.440 134 L N -1.079 119.867 121.223 -0.462 0.000 2.049 134 L HA -0.006 4.334 4.340 0.000 0.000 0.203 134 L C 1.803 178.229 176.870 -0.741 0.000 1.074 134 L CA 1.670 56.113 54.840 -0.661 0.000 0.749 134 L CB -0.494 41.008 42.059 -0.928 0.000 0.907 134 L HN 0.070 nan 8.230 nan 0.000 0.439 135 F N -1.168 118.463 119.950 -0.532 0.000 2.374 135 F HA 0.185 4.712 4.527 0.000 0.000 0.291 135 F C 1.207 176.749 175.800 -0.429 0.000 1.084 135 F CA 0.142 57.865 58.000 -0.462 0.000 1.413 135 F CB -0.121 38.493 39.000 -0.643 0.000 1.099 135 F HN -0.039 nan 8.300 nan 0.000 0.534 136 R N 1.295 121.493 120.500 -0.503 0.000 3.205 136 R HA -0.182 4.158 4.340 0.000 0.000 0.249 136 R C -0.509 175.486 176.300 -0.507 0.000 0.937 136 R CA 0.468 56.027 56.100 -0.902 0.000 0.641 136 R CB -1.344 28.578 30.300 -0.630 0.000 1.114 136 R HN 0.441 nan 8.270 nan 0.000 0.451 137 S N -1.411 114.087 115.700 -0.337 0.000 2.837 137 S HA 0.542 5.012 4.470 0.000 0.000 0.314 137 S C -0.031 174.545 174.600 -0.040 0.000 1.098 137 S CA -0.517 57.599 58.200 -0.140 0.000 0.903 137 S CB 1.673 64.805 63.200 -0.113 0.000 1.310 137 S HN 0.163 nan 8.310 nan 0.000 0.581 138 T N 1.390 115.906 114.554 -0.064 0.000 2.888 138 T HA 0.478 4.828 4.350 0.000 0.000 0.301 138 T C -0.606 173.986 174.700 -0.181 0.000 1.001 138 T CA -0.225 61.817 62.100 -0.097 0.000 1.147 138 T CB 0.326 69.078 68.868 -0.192 0.000 0.931 138 T HN 0.536 nan 8.240 nan 0.000 0.541 139 V N 5.078 124.934 119.914 -0.098 0.000 2.443 139 V HA 0.477 4.597 4.120 0.000 0.000 0.293 139 V C -0.155 175.834 176.094 -0.175 0.000 1.021 139 V CA -0.875 61.347 62.300 -0.129 0.000 0.848 139 V CB 1.712 33.570 31.823 0.057 0.000 0.998 139 V HN 0.641 nan 8.190 nan 0.000 0.424 140 K N 3.637 123.858 120.400 -0.298 0.000 2.426 140 K HA 0.502 4.822 4.320 0.000 0.000 0.254 140 K C -0.786 175.784 176.600 -0.050 0.000 0.936 140 K CA -0.478 55.720 56.287 -0.147 0.000 0.801 140 K CB 2.502 34.944 32.500 -0.096 0.000 1.139 140 K HN 0.679 nan 8.250 nan 0.000 0.424 141 Q N 2.345 122.132 119.800 -0.021 0.000 2.390 141 Q HA 0.321 4.661 4.340 0.000 0.000 0.249 141 Q C -0.040 175.933 176.000 -0.045 0.000 0.996 141 Q CA -0.715 55.076 55.803 -0.020 0.000 0.899 141 Q CB 1.292 30.020 28.738 -0.016 0.000 1.216 141 Q HN 0.380 nan 8.270 nan 0.000 0.465 142 V N -1.076 118.770 119.914 -0.114 0.000 2.864 142 V HA 0.511 4.631 4.120 0.000 0.000 0.314 142 V C -0.700 175.191 176.094 -0.338 0.000 1.073 142 V CA -1.169 60.980 62.300 -0.251 0.000 0.956 142 V CB 2.264 33.848 31.823 -0.398 0.000 1.023 142 V HN 0.494 nan 8.190 nan 0.000 0.435 143 D N 1.647 121.890 120.400 -0.261 0.000 2.428 143 D HA 0.408 5.048 4.640 0.000 0.000 0.221 143 D C 0.326 176.514 176.300 -0.187 0.000 1.123 143 D CA -0.476 53.432 54.000 -0.154 0.000 0.869 143 D CB 0.682 41.442 40.800 -0.066 0.000 1.032 143 D HN 0.464 nan 8.370 nan 0.000 0.506 144 F N 1.381 121.323 119.950 -0.013 0.000 2.699 144 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 144 F C 2.577 178.366 175.800 -0.019 0.000 1.154 144 F CA 0.509 58.496 58.000 -0.022 0.000 1.457 144 F CB -0.225 38.754 39.000 -0.034 0.000 1.106 144 F HN 0.371 nan 8.300 nan 0.000 0.585 145 S N -0.677 115.094 115.700 0.119 0.000 2.428 145 S HA -0.173 4.297 4.470 0.000 0.000 0.230 145 S C 1.325 175.951 174.600 0.042 0.000 1.014 145 S CA 0.743 58.985 58.200 0.069 0.000 0.957 145 S CB -0.327 62.898 63.200 0.042 0.000 0.784 145 S HN 0.290 nan 8.310 nan 0.000 0.499 146 E N 1.856 122.070 120.200 0.023 0.000 2.368 146 E HA 0.356 4.706 4.350 0.000 0.000 0.283 146 E C 0.941 177.551 176.600 0.017 0.000 1.476 146 E CA -0.293 56.111 56.400 0.006 0.000 1.786 146 E CB -0.788 28.902 29.700 -0.016 0.000 1.518 146 E HN 0.202 nan 8.360 nan 0.000 0.456 147 V N 0.974 120.915 119.914 0.044 0.000 2.256 147 V HA -0.425 3.695 4.120 0.000 0.000 0.256 147 V C 2.089 178.214 176.094 0.052 0.000 1.060 147 V CA 2.471 64.809 62.300 0.062 0.000 1.081 147 V CB -0.794 31.058 31.823 0.049 0.000 0.709 147 V HN 0.502 nan 8.190 nan 0.000 0.471 148 E N -0.407 119.812 120.200 0.032 0.000 2.118 148 E HA -0.224 4.126 4.350 0.000 0.000 0.195 148 E C 2.347 178.980 176.600 0.056 0.000 0.992 148 E CA 1.702 58.122 56.400 0.034 0.000 0.804 148 E CB -0.328 29.374 29.700 0.004 0.000 0.741 148 E HN 0.478 nan 8.360 nan 0.000 0.458 149 R N -0.462 120.058 120.500 0.033 0.000 2.092 149 R HA -0.089 4.251 4.340 0.000 0.000 0.231 149 R C 2.084 178.455 176.300 0.117 0.000 1.119 149 R CA 1.171 57.315 56.100 0.075 0.000 0.970 149 R CB -0.244 30.069 30.300 0.021 0.000 0.864 149 R HN 0.226 nan 8.270 nan 0.000 0.440 150 A N 2.170 125.000 122.820 0.017 0.000 1.845 150 A HA -0.231 4.089 4.320 0.000 0.000 0.215 150 A C 2.119 179.667 177.584 -0.060 0.000 1.195 150 A CA 1.790 53.776 52.037 -0.085 0.000 0.616 150 A CB -0.621 18.313 19.000 -0.109 0.000 0.832 150 A HN 0.574 nan 8.150 nan 0.000 0.443 151 R N -1.559 118.955 120.500 0.025 0.000 2.237 151 R HA -0.037 4.303 4.340 0.000 0.000 0.219 151 R C 1.799 178.117 176.300 0.031 0.000 1.080 151 R CA 1.491 57.596 56.100 0.009 0.000 0.995 151 R CB -0.652 29.675 30.300 0.044 0.000 0.875 151 R HN 0.472 nan 8.270 nan 0.000 0.462 152 F N 1.611 121.531 119.950 -0.051 0.000 2.259 152 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 152 F C 1.715 177.499 175.800 -0.027 0.000 1.088 152 F CA 0.695 58.678 58.000 -0.028 0.000 1.358 152 F CB 0.133 39.120 39.000 -0.021 0.000 1.040 152 F HN -0.122 nan 8.300 nan 0.000 0.505 153 I N 0.659 121.108 120.570 -0.202 0.000 2.193 153 I HA -0.219 3.951 4.170 0.000 0.000 0.240 153 I C 2.603 178.558 176.117 -0.271 0.000 1.084 153 I CA 1.349 62.485 61.300 -0.273 0.000 1.365 153 I CB -1.314 36.589 38.000 -0.162 0.000 1.064 153 I HN 0.304 nan 8.210 nan 0.000 0.410 154 I N 0.846 121.178 120.570 -0.397 0.000 2.193 154 I HA -0.278 3.892 4.170 0.000 0.000 0.240 154 I C 2.124 178.219 176.117 -0.038 0.000 1.084 154 I CA 1.571 62.620 61.300 -0.419 0.000 1.365 154 I CB -0.241 37.339 38.000 -0.699 0.000 1.064 154 I HN 0.229 nan 8.210 nan 0.000 0.410 155 N N 0.545 119.210 118.700 -0.058 0.000 2.205 155 N HA -0.272 4.468 4.740 0.000 0.000 0.186 155 N C 1.314 176.820 175.510 -0.006 0.000 1.015 155 N CA 1.739 54.794 53.050 0.007 0.000 0.862 155 N CB -0.102 38.393 38.487 0.013 0.000 0.986 155 N HN 0.461 nan 8.380 nan 0.000 0.429 156 D N -0.678 119.661 120.400 -0.101 0.000 2.234 156 D HA -0.106 4.534 4.640 0.000 0.000 0.205 156 D C 1.555 177.841 176.300 -0.023 0.000 0.962 156 D CA 0.417 54.331 54.000 -0.144 0.000 0.855 156 D CB 0.078 40.629 40.800 -0.414 0.000 0.951 156 D HN 0.327 nan 8.370 nan 0.000 0.500 157 W N 0.284 121.546 121.300 -0.063 0.000 2.379 157 W HA -0.131 4.529 4.660 -0.000 0.000 0.307 157 W C 1.908 178.540 176.519 0.187 0.000 1.200 157 W CA 1.160 58.576 57.345 0.119 0.000 1.297 157 W CB -0.493 29.093 29.460 0.211 0.000 1.140 157 W HN -0.184 nan 8.180 nan 0.000 0.507 158 V N 1.949 121.998 119.914 0.226 0.000 2.287 158 V HA -0.385 3.735 4.120 0.000 0.000 0.248 158 V C 2.572 178.602 176.094 -0.106 0.000 1.053 158 V CA 2.493 64.816 62.300 0.038 0.000 1.027 158 V CB -1.257 30.675 31.823 0.181 0.000 0.646 158 V HN 0.279 nan 8.190 nan 0.000 0.447 159 K N 0.607 120.966 120.400 -0.069 0.000 2.034 159 K HA -0.304 4.016 4.320 0.000 0.000 0.214 159 K C 2.192 178.678 176.600 -0.190 0.000 1.051 159 K CA 2.597 58.825 56.287 -0.098 0.000 0.931 159 K CB -0.524 31.932 32.500 -0.074 0.000 0.715 159 K HN 0.684 nan 8.250 nan 0.000 0.446 160 T N -1.677 112.705 114.554 -0.286 0.000 2.904 160 T HA -0.093 4.257 4.350 0.000 0.000 0.267 160 T C 1.712 176.052 174.700 -0.599 0.000 1.059 160 T CA 0.987 62.828 62.100 -0.431 0.000 1.137 160 T CB -0.406 68.160 68.868 -0.502 0.000 0.879 160 T HN 0.342 nan 8.240 nan 0.000 0.467 161 H N 1.506 120.293 119.070 -0.471 0.000 2.551 161 H HA 0.160 4.716 4.556 0.000 0.000 0.266 161 H C 1.813 176.936 175.328 -0.341 0.000 0.977 161 H CA 1.492 57.244 56.048 -0.493 0.000 1.163 161 H CB 0.112 29.381 29.762 -0.822 0.000 1.381 161 H HN 0.656 nan 8.280 nan 0.000 0.581 162 T N -1.831 112.608 114.554 -0.192 0.000 3.129 162 T HA 0.134 4.484 4.350 0.000 0.000 0.267 162 T C 0.478 175.090 174.700 -0.147 0.000 1.018 162 T CA -0.573 61.499 62.100 -0.046 0.000 0.903 162 T CB 0.194 69.084 68.868 0.036 0.000 1.067 162 T HN 0.055 nan 8.240 nan 0.000 0.549 163 K N 1.512 121.707 120.400 -0.342 0.000 4.007 163 K HA -0.206 4.114 4.320 0.000 0.000 0.279 163 K C 1.320 177.822 176.600 -0.163 0.000 0.919 163 K CA 0.346 56.419 56.287 -0.357 0.000 0.800 163 K CB -1.827 30.282 32.500 -0.652 0.000 1.572 163 K HN 0.836 nan 8.250 nan 0.000 0.443 164 G N 0.101 108.829 108.800 -0.120 0.000 2.458 164 G HA2 -0.375 3.585 3.960 0.000 0.000 0.237 164 G HA3 -0.375 3.585 3.960 0.000 0.000 0.237 164 G C 0.397 175.290 174.900 -0.012 0.000 1.113 164 G CA 0.421 45.487 45.100 -0.058 0.000 0.655 164 G HN 0.342 nan 8.290 nan 0.000 0.513 165 M N 0.838 120.454 119.600 0.026 0.000 2.252 165 M HA 0.406 4.886 4.480 0.000 0.000 0.333 165 M C 1.404 177.727 176.300 0.039 0.000 1.111 165 M CA 0.437 55.770 55.300 0.054 0.000 1.140 165 M CB -0.398 32.268 32.600 0.111 0.000 1.538 165 M HN 0.773 nan 8.290 nan 0.000 0.448 166 I N 1.425 122.020 120.570 0.042 0.000 7.533 166 I HA -0.270 3.900 4.170 0.000 0.000 0.126 166 I C 0.758 176.893 176.117 0.029 0.000 1.830 166 I CA -0.072 61.253 61.300 0.043 0.000 2.068 166 I CB -1.371 36.662 38.000 0.055 0.000 3.648 166 I HN 0.799 nan 8.210 nan 0.000 0.179 167 S N 1.438 117.154 115.700 0.026 0.000 2.436 167 S HA -0.023 4.447 4.470 0.000 0.000 0.228 167 S C 0.989 175.607 174.600 0.029 0.000 1.014 167 S CA 0.775 58.987 58.200 0.020 0.000 0.950 167 S CB 0.014 63.225 63.200 0.019 0.000 0.784 167 S HN 0.760 nan 8.310 nan 0.000 0.504 168 N N 0.739 119.461 118.700 0.037 0.000 2.675 168 N HA 0.156 4.896 4.740 0.000 0.000 0.254 168 N C 0.022 175.560 175.510 0.047 0.000 1.224 168 N CA -0.056 53.019 53.050 0.042 0.000 0.777 168 N CB 1.091 39.602 38.487 0.041 0.000 1.256 168 N HN 0.068 nan 8.380 nan 0.000 0.531 169 L N 3.475 124.730 121.223 0.055 0.000 2.072 169 L HA 0.237 4.577 4.340 0.000 0.000 0.205 169 L C 0.049 176.953 176.870 0.056 0.000 1.079 169 L CA 1.635 56.513 54.840 0.064 0.000 0.752 169 L CB 0.034 42.144 42.059 0.086 0.000 0.906 169 L HN 0.484 nan 8.230 nan 0.000 0.436 170 L N 0.697 121.949 121.223 0.047 0.000 2.265 170 L HA 0.447 4.787 4.340 0.000 0.000 0.289 170 L C 0.691 177.583 176.870 0.037 0.000 1.033 170 L CA -0.526 54.337 54.840 0.039 0.000 0.814 170 L CB 0.736 42.813 42.059 0.030 0.000 1.203 170 L HN 0.151 nan 8.230 nan 0.000 0.423 171 G N 2.224 111.044 108.800 0.034 0.000 2.606 171 G HA2 0.092 4.052 3.960 0.000 0.000 0.252 171 G HA3 0.092 4.052 3.960 0.000 0.000 0.252 171 G C -0.283 174.633 174.900 0.028 0.000 1.206 171 G CA -0.535 44.583 45.100 0.030 0.000 0.861 171 G HN 0.610 nan 8.290 nan 0.000 0.561 172 K N 0.000 120.416 120.400 0.026 0.000 2.472 172 K HA 0.308 4.628 4.320 0.000 0.000 0.280 172 K C 1.254 177.865 176.600 0.019 0.000 1.028 172 K CA 1.036 57.338 56.287 0.024 0.000 1.045 172 K CB -0.066 32.447 32.500 0.021 0.000 0.902 172 K HN 1.145 nan 8.250 nan 0.000 0.478 173 G N 2.518 111.329 108.800 0.019 0.000 2.143 173 G HA2 -0.316 3.645 3.960 0.000 0.000 0.249 173 G HA3 -0.316 3.645 3.960 0.000 0.000 0.249 173 G C 0.617 175.521 174.900 0.006 0.000 0.981 173 G CA 0.391 45.498 45.100 0.012 0.000 0.665 173 G HN 0.755 nan 8.290 nan 0.000 0.528 174 A N -1.105 121.721 122.820 0.009 0.000 2.123 174 A HA 0.600 4.921 4.320 0.000 0.000 0.214 174 A C 1.329 178.902 177.584 -0.017 0.000 1.152 174 A CA 1.961 53.999 52.037 0.002 0.000 0.728 174 A CB -0.003 19.005 19.000 0.013 0.000 0.814 174 A HN 1.913 nan 8.150 nan 0.000 0.464 175 V N -2.312 117.596 119.914 -0.010 0.000 3.078 175 V HA 0.775 4.895 4.120 0.000 0.000 0.311 175 V C -1.352 174.739 176.094 -0.006 0.000 1.138 175 V CA -0.540 61.741 62.300 -0.031 0.000 1.007 175 V CB 2.171 34.007 31.823 0.022 0.000 1.045 175 V HN 0.394 nan 8.190 nan 0.000 0.432 176 D N 0.888 121.267 120.400 -0.035 0.000 3.057 176 D HA 0.245 4.885 4.640 0.000 0.000 0.328 176 D C 0.590 176.903 176.300 0.022 0.000 1.317 176 D CA -0.306 53.696 54.000 0.003 0.000 0.973 176 D CB 1.154 41.943 40.800 -0.019 0.000 1.424 176 D HN 0.433 nan 8.370 nan 0.000 0.569 177 Q N -0.860 118.956 119.800 0.027 0.000 2.119 177 Q HA -0.003 4.337 4.340 0.000 0.000 0.201 177 Q C 1.755 177.753 176.000 -0.002 0.000 0.972 177 Q CA 1.138 56.968 55.803 0.045 0.000 0.847 177 Q CB -0.141 28.614 28.738 0.028 0.000 0.903 177 Q HN 0.273 nan 8.270 nan 0.000 0.433 178 L N 0.499 121.688 121.223 -0.056 0.000 2.376 178 L HA -0.023 4.317 4.340 0.000 0.000 0.219 178 L C 0.832 177.586 176.870 -0.194 0.000 1.133 178 L CA 1.055 55.837 54.840 -0.097 0.000 0.816 178 L CB -0.910 41.097 42.059 -0.087 0.000 0.933 178 L HN 0.023 nan 8.230 nan 0.000 0.449 179 T N 0.268 114.644 114.554 -0.295 0.000 2.946 179 T HA 0.065 4.415 4.350 0.000 0.000 0.311 179 T C 1.310 175.575 174.700 -0.725 0.000 1.063 179 T CA 0.029 61.767 62.100 -0.603 0.000 1.139 179 T CB 1.304 69.623 68.868 -0.915 0.000 0.994 179 T HN 0.138 nan 8.240 nan 0.000 0.547 180 R N 0.747 120.863 120.500 -0.639 0.000 2.306 180 R HA 0.345 4.685 4.340 0.000 0.000 0.183 180 R C -0.156 175.990 176.300 -0.257 0.000 0.937 180 R CA -0.061 55.817 56.100 -0.369 0.000 1.118 180 R CB -0.462 29.681 30.300 -0.262 0.000 1.224 180 R HN 0.476 nan 8.270 nan 0.000 0.597 181 L N 0.826 121.873 121.223 -0.293 0.000 2.362 181 L HA 0.595 4.935 4.340 0.000 0.000 0.271 181 L C -1.382 175.436 176.870 -0.087 0.000 1.002 181 L CA -0.777 53.989 54.840 -0.122 0.000 0.818 181 L CB 2.421 44.399 42.059 -0.135 0.000 1.298 181 L HN -0.158 nan 8.230 nan 0.000 0.420 182 V N 6.008 125.971 119.914 0.082 0.000 2.509 182 V HA 0.340 4.460 4.120 0.000 0.000 0.289 182 V C -0.616 175.579 176.094 0.168 0.000 1.026 182 V CA -0.553 61.823 62.300 0.128 0.000 0.872 182 V CB 1.362 33.311 31.823 0.210 0.000 1.017 182 V HN 0.716 nan 8.190 nan 0.000 0.436 183 L N 3.760 125.030 121.223 0.078 0.000 2.280 183 L HA 0.971 5.311 4.340 0.000 0.000 0.287 183 L C -0.541 176.360 176.870 0.053 0.000 1.023 183 L CA -0.628 54.230 54.840 0.030 0.000 0.819 183 L CB 1.599 43.664 42.059 0.010 0.000 1.212 183 L HN 0.396 nan 8.230 nan 0.000 0.420 184 V N 3.066 123.007 119.914 0.045 0.000 2.914 184 V HA 0.620 4.740 4.120 0.000 0.000 0.314 184 V C -1.146 175.034 176.094 0.144 0.000 1.084 184 V CA -0.342 62.031 62.300 0.121 0.000 0.963 184 V CB 2.518 34.480 31.823 0.231 0.000 1.025 184 V HN 0.980 nan 8.190 nan 0.000 0.432 185 N N 3.606 122.423 118.700 0.195 0.000 2.272 185 N HA 0.816 5.556 4.740 0.000 0.000 0.305 185 N C -1.006 174.647 175.510 0.238 0.000 1.103 185 N CA 0.066 53.235 53.050 0.199 0.000 0.791 185 N CB 2.226 40.760 38.487 0.078 0.000 1.356 185 N HN 1.002 nan 8.380 nan 0.000 0.486 186 A N 3.379 126.314 122.820 0.193 0.000 2.466 186 A HA 0.447 4.767 4.320 0.000 0.000 0.291 186 A C -1.221 176.402 177.584 0.066 0.000 1.234 186 A CA -0.582 51.502 52.037 0.078 0.000 0.752 186 A CB 0.066 18.987 19.000 -0.132 0.000 1.153 186 A HN 0.678 nan 8.150 nan 0.000 0.458 187 L N 2.349 123.633 121.223 0.103 0.000 2.325 187 L HA 0.700 5.040 4.340 0.000 0.000 0.279 187 L C -1.079 175.891 176.870 0.166 0.000 1.054 187 L CA -0.786 54.128 54.840 0.125 0.000 0.804 187 L CB 1.475 43.609 42.059 0.125 0.000 1.200 187 L HN 0.754 nan 8.230 nan 0.000 0.436 188 Y N 4.564 124.879 120.300 0.024 0.000 2.534 188 Y HA 0.557 5.107 4.550 -0.000 0.000 0.345 188 Y C -1.659 174.306 175.900 0.109 0.000 1.031 188 Y CA -0.933 57.187 58.100 0.033 0.000 1.022 188 Y CB 1.855 40.308 38.460 -0.012 0.000 1.292 188 Y HN 0.444 nan 8.280 nan 0.000 0.459 189 F N 6.124 125.595 119.950 -0.798 0.000 2.604 189 F HA 0.435 4.962 4.527 0.000 0.000 0.316 189 F C -1.912 173.443 175.800 -0.741 0.000 1.136 189 F CA -1.181 56.479 58.000 -0.566 0.000 0.989 189 F CB 1.695 40.463 39.000 -0.387 0.000 1.258 189 F HN 0.587 nan 8.300 nan 0.000 0.451 190 N N 3.732 121.889 118.700 -0.906 0.000 2.727 190 N HA 0.353 5.093 4.740 0.000 0.000 0.252 190 N C -0.674 174.292 175.510 -0.907 0.000 1.283 190 N CA 0.002 52.569 53.050 -0.805 0.000 0.782 190 N CB 1.382 39.719 38.487 -0.250 0.000 1.199 190 N HN 0.896 nan 8.380 nan 0.000 0.520 191 G N 0.840 108.753 108.800 -1.477 0.000 2.437 191 G HA2 0.489 4.449 3.960 0.000 0.000 0.319 191 G HA3 0.489 4.449 3.960 0.000 0.000 0.319 191 G C -0.728 173.967 174.900 -0.340 0.000 1.158 191 G CA -0.223 44.331 45.100 -0.909 0.000 0.899 191 G HN 0.476 nan 8.290 nan 0.000 0.502 192 Q N -0.124 119.640 119.800 -0.060 0.000 2.292 192 Q HA 0.178 4.518 4.340 0.000 0.000 0.270 192 Q C -1.101 174.833 176.000 -0.109 0.000 1.024 192 Q CA -0.591 55.049 55.803 -0.272 0.000 0.768 192 Q CB 2.395 30.806 28.738 -0.544 0.000 1.250 192 Q HN 0.676 nan 8.270 nan 0.000 0.447 193 W N 3.008 124.256 121.300 -0.087 0.000 2.343 193 W HA -0.070 4.590 4.660 -0.000 0.000 0.337 193 W C 1.495 177.953 176.519 -0.101 0.000 1.320 193 W CA 0.049 57.299 57.345 -0.159 0.000 1.290 193 W CB 0.532 29.926 29.460 -0.110 0.000 1.206 193 W HN 0.668 nan 8.180 nan 0.000 0.565 194 K N 0.890 121.428 120.400 0.231 0.000 2.209 194 K HA -0.123 4.197 4.320 0.000 0.000 0.204 194 K C 0.244 176.885 176.600 0.068 0.000 1.048 194 K CA 1.162 57.547 56.287 0.163 0.000 0.940 194 K CB 0.060 32.644 32.500 0.140 0.000 0.729 194 K HN 0.384 nan 8.250 nan 0.000 0.451 195 T N 3.551 118.112 114.554 0.011 0.000 3.198 195 T HA 0.229 4.579 4.350 0.000 0.000 0.352 195 T C -2.798 171.814 174.700 -0.147 0.000 1.197 195 T CA -1.262 60.783 62.100 -0.091 0.000 1.427 195 T CB 1.661 70.412 68.868 -0.195 0.000 0.983 195 T HN 0.136 nan 8.240 nan 0.000 0.560 196 P HA 0.149 nan 4.420 nan 0.000 0.267 196 P C -0.411 176.873 177.300 -0.027 0.000 1.200 196 P CA -0.390 62.772 63.100 0.104 0.000 0.772 196 P CB 0.558 32.367 31.700 0.181 0.000 0.855 197 F N 2.849 122.808 119.950 0.014 0.000 2.538 197 F HA 0.185 4.712 4.527 0.000 0.000 0.371 197 F C -1.413 174.403 175.800 0.027 0.000 1.087 197 F CA -1.494 56.502 58.000 -0.006 0.000 1.250 197 F CB -0.772 38.214 39.000 -0.023 0.000 1.110 197 F HN 0.174 nan 8.300 nan 0.000 0.570 198 P HA 0.068 nan 4.420 nan 0.000 0.271 198 P C -0.028 177.348 177.300 0.126 0.000 1.226 198 P CA 0.015 63.182 63.100 0.113 0.000 0.765 198 P CB 0.716 32.460 31.700 0.073 0.000 0.835 199 D N 1.484 121.942 120.400 0.097 0.000 2.126 199 D HA -0.202 4.438 4.640 0.000 0.000 0.190 199 D C 1.955 178.301 176.300 0.076 0.000 1.001 199 D CA 2.214 56.263 54.000 0.081 0.000 0.841 199 D CB -0.748 40.086 40.800 0.057 0.000 0.949 199 D HN 0.400 nan 8.370 nan 0.000 0.446 200 S N -0.160 115.578 115.700 0.064 0.000 2.392 200 S HA -0.196 4.274 4.470 0.000 0.000 0.232 200 S C 2.057 176.700 174.600 0.072 0.000 1.041 200 S CA 1.658 59.890 58.200 0.055 0.000 1.026 200 S CB -0.579 62.643 63.200 0.037 0.000 0.845 200 S HN 0.081 nan 8.310 nan 0.000 0.465 201 S N 1.388 117.145 115.700 0.095 0.000 2.474 201 S HA 0.040 4.510 4.470 0.000 0.000 0.235 201 S C 0.652 175.400 174.600 0.246 0.000 0.997 201 S CA 0.728 59.007 58.200 0.132 0.000 0.949 201 S CB -0.585 62.703 63.200 0.146 0.000 0.766 201 S HN 0.700 nan 8.310 nan 0.000 0.517 202 T N 4.124 118.785 114.554 0.178 0.000 2.817 202 T HA 0.183 4.533 4.350 0.000 0.000 0.295 202 T C -0.068 174.749 174.700 0.194 0.000 0.958 202 T CA -0.004 62.182 62.100 0.143 0.000 1.157 202 T CB -0.023 68.880 68.868 0.058 0.000 0.898 202 T HN 0.495 nan 8.240 nan 0.000 0.536 203 H N 1.194 120.275 119.070 0.018 0.000 3.008 203 H HA 0.476 5.032 4.556 -0.000 0.000 0.354 203 H C -0.785 174.556 175.328 0.021 0.000 1.252 203 H CA -1.335 54.724 56.048 0.019 0.000 1.117 203 H CB 0.896 30.671 29.762 0.020 0.000 1.857 203 H HN 0.251 nan 8.280 nan 0.000 0.547 204 R N 1.802 122.301 120.500 -0.001 0.000 2.491 204 R HA 0.379 4.719 4.340 0.000 0.000 0.283 204 R C 0.235 176.505 176.300 -0.050 0.000 1.072 204 R CA -0.370 55.703 56.100 -0.044 0.000 1.048 204 R CB 0.407 30.717 30.300 0.017 0.000 0.983 204 R HN 0.636 nan 8.270 nan 0.000 0.450 205 R N 1.537 121.996 120.500 -0.068 0.000 2.831 205 R HA 0.496 4.836 4.340 0.000 0.000 0.266 205 R C -0.491 175.834 176.300 0.041 0.000 1.051 205 R CA -1.048 55.046 56.100 -0.010 0.000 0.943 205 R CB 1.202 31.463 30.300 -0.064 0.000 1.228 205 R HN 0.399 nan 8.270 nan 0.000 0.467 206 L N 1.533 122.801 121.223 0.074 0.000 2.275 206 L HA 0.454 4.794 4.340 0.000 0.000 0.288 206 L C -0.458 176.520 176.870 0.180 0.000 1.046 206 L CA -0.557 54.334 54.840 0.086 0.000 0.805 206 L CB 0.686 42.760 42.059 0.025 0.000 1.193 206 L HN 0.364 nan 8.230 nan 0.000 0.426 207 F N 3.221 123.187 119.950 0.026 0.000 2.388 207 F HA 0.319 4.846 4.527 -0.000 0.000 0.358 207 F C 0.410 176.242 175.800 0.054 0.000 1.122 207 F CA -0.413 57.632 58.000 0.074 0.000 1.056 207 F CB 0.548 39.559 39.000 0.018 0.000 1.155 207 F HN 0.379 nan 8.300 nan 0.000 0.461 208 H N 6.544 125.455 119.070 -0.265 0.000 2.846 208 H HA 0.171 4.727 4.556 0.000 0.000 0.278 208 H C 0.036 175.318 175.328 -0.077 0.000 1.117 208 H CA -0.528 55.438 56.048 -0.136 0.000 1.406 208 H CB 0.779 30.433 29.762 -0.180 0.000 1.445 208 H HN 0.481 nan 8.280 nan 0.000 0.469 209 K N 1.182 121.688 120.400 0.177 0.000 2.276 209 K HA -0.012 4.308 4.320 0.000 0.000 0.259 209 K C 1.189 177.856 176.600 0.112 0.000 1.001 209 K CA -0.026 56.380 56.287 0.199 0.000 0.927 209 K CB 0.663 33.252 32.500 0.147 0.000 0.969 209 K HN 0.607 nan 8.250 nan 0.000 0.490 210 S N 0.295 116.062 115.700 0.111 0.000 2.595 210 S HA -0.102 4.368 4.470 0.000 0.000 0.235 210 S C 0.712 175.342 174.600 0.050 0.000 0.974 210 S CA 1.128 59.370 58.200 0.071 0.000 0.942 210 S CB -0.286 62.958 63.200 0.072 0.000 0.766 210 S HN 0.723 nan 8.310 nan 0.000 0.536 211 D N -1.150 119.279 120.400 0.048 0.000 2.469 211 D HA 0.292 4.932 4.640 0.000 0.000 0.213 211 D C 1.325 177.642 176.300 0.028 0.000 1.135 211 D CA 0.584 54.603 54.000 0.032 0.000 0.834 211 D CB -0.054 40.762 40.800 0.027 0.000 1.009 211 D HN 0.479 nan 8.370 nan 0.000 0.507 212 G N 0.886 109.707 108.800 0.035 0.000 2.436 212 G HA2 -0.243 3.717 3.960 0.000 0.000 0.204 212 G HA3 -0.243 3.717 3.960 0.000 0.000 0.204 212 G C 0.447 175.352 174.900 0.008 0.000 1.026 212 G CA 0.166 45.283 45.100 0.027 0.000 0.658 212 G HN 0.739 nan 8.290 nan 0.000 0.499 213 S N 1.009 116.712 115.700 0.004 0.000 2.576 213 S HA 0.549 5.019 4.470 0.000 0.000 0.272 213 S C 0.423 174.995 174.600 -0.046 0.000 1.352 213 S CA 1.012 59.200 58.200 -0.020 0.000 1.021 213 S CB 1.370 64.568 63.200 -0.003 0.000 0.887 213 S HN 1.756 nan 8.310 nan 0.000 0.542 214 T N -1.651 112.846 114.554 -0.095 0.000 2.942 214 T HA 0.784 5.134 4.350 0.000 0.000 0.289 214 T C -0.501 174.177 174.700 -0.037 0.000 1.044 214 T CA -0.807 61.210 62.100 -0.139 0.000 1.023 214 T CB 1.143 69.827 68.868 -0.307 0.000 1.123 214 T HN 0.743 nan 8.240 nan 0.000 0.512 215 V N 0.346 120.267 119.914 0.011 0.000 3.087 215 V HA 0.640 4.760 4.120 0.000 0.000 0.306 215 V C -0.288 175.829 176.094 0.038 0.000 1.187 215 V CA -1.138 61.177 62.300 0.026 0.000 0.999 215 V CB 2.227 34.070 31.823 0.032 0.000 1.049 215 V HN 1.062 nan 8.190 nan 0.000 0.431 216 S N 1.835 117.545 115.700 0.016 0.000 2.415 216 S HA 0.639 5.109 4.470 0.000 0.000 0.313 216 S C -0.738 173.866 174.600 0.007 0.000 1.067 216 S CA -0.326 57.883 58.200 0.016 0.000 1.099 216 S CB 0.176 63.382 63.200 0.008 0.000 0.991 216 S HN 0.531 nan 8.310 nan 0.000 0.491 217 V N 8.075 127.997 119.914 0.013 0.000 2.555 217 V HA 0.541 4.661 4.120 0.000 0.000 0.302 217 V C -2.171 173.903 176.094 -0.033 0.000 1.038 217 V CA -2.191 60.102 62.300 -0.012 0.000 0.887 217 V CB 1.911 33.721 31.823 -0.021 0.000 0.991 217 V HN 0.683 nan 8.190 nan 0.000 0.434 218 P HA 0.194 nan 4.420 nan 0.000 0.270 218 P C -0.777 176.466 177.300 -0.095 0.000 1.242 218 P CA 0.221 63.280 63.100 -0.068 0.000 0.768 218 P CB 0.499 32.177 31.700 -0.038 0.000 0.820 219 M N 3.551 123.040 119.600 -0.186 0.000 2.537 219 M HA 0.460 4.940 4.480 0.000 0.000 0.324 219 M C 0.511 176.696 176.300 -0.192 0.000 1.187 219 M CA -0.797 54.392 55.300 -0.185 0.000 0.993 219 M CB 1.730 34.209 32.600 -0.201 0.000 1.666 219 M HN 0.180 nan 8.290 nan 0.000 0.461 220 M N 1.437 120.919 119.600 -0.197 0.000 2.367 220 M HA 0.714 5.194 4.480 0.000 0.000 0.339 220 M C -0.445 175.850 176.300 -0.008 0.000 1.177 220 M CA -0.583 54.599 55.300 -0.196 0.000 1.068 220 M CB 1.776 33.968 32.600 -0.679 0.000 1.602 220 M HN 0.772 nan 8.290 nan 0.000 0.457 221 A N 2.348 125.318 122.820 0.250 0.000 2.413 221 A HA 0.827 5.147 4.320 0.000 0.000 0.307 221 A C -1.288 176.530 177.584 0.390 0.000 1.087 221 A CA -0.538 51.689 52.037 0.316 0.000 0.750 221 A CB 2.191 21.352 19.000 0.268 0.000 1.296 221 A HN 0.794 nan 8.150 nan 0.000 0.423 222 Q N 0.302 120.256 119.800 0.257 0.000 2.430 222 Q HA 0.394 4.735 4.340 0.000 0.000 0.253 222 Q C -1.686 174.377 176.000 0.105 0.000 0.945 222 Q CA -0.288 55.575 55.803 0.099 0.000 0.964 222 Q CB 1.806 30.442 28.738 -0.170 0.000 1.460 222 Q HN 0.692 nan 8.270 nan 0.000 0.428 223 T N 3.874 118.439 114.554 0.018 0.000 2.749 223 T HA 0.558 4.908 4.350 0.000 0.000 0.287 223 T C -0.644 173.983 174.700 -0.122 0.000 0.970 223 T CA -0.248 61.848 62.100 -0.006 0.000 0.980 223 T CB 0.527 69.384 68.868 -0.019 0.000 0.924 223 T HN 0.649 nan 8.240 nan 0.000 0.456 224 N N 1.610 120.185 118.700 -0.209 0.000 3.441 224 N HA 0.264 5.004 4.740 0.000 0.000 0.313 224 N C -1.676 173.544 175.510 -0.483 0.000 1.526 224 N CA -0.833 51.948 53.050 -0.448 0.000 0.871 224 N CB 1.140 39.146 38.487 -0.802 0.000 1.779 224 N HN 0.280 nan 8.380 nan 0.000 0.529 225 K N 1.234 121.296 120.400 -0.564 0.000 2.394 225 K HA 0.388 4.708 4.320 0.000 0.000 0.260 225 K C -1.573 174.748 176.600 -0.465 0.000 0.967 225 K CA -0.297 55.782 56.287 -0.347 0.000 0.855 225 K CB 1.080 33.469 32.500 -0.184 0.000 1.101 225 K HN 0.236 nan 8.250 nan 0.000 0.433 226 F N 0.759 120.686 119.950 -0.039 0.000 2.523 226 F HA 0.291 4.818 4.527 0.000 0.000 0.329 226 F C 0.634 176.448 175.800 0.024 0.000 1.061 226 F CA -1.059 56.922 58.000 -0.032 0.000 0.967 226 F CB 1.047 40.024 39.000 -0.038 0.000 1.218 226 F HN 0.377 nan 8.300 nan 0.000 0.480 227 N N 1.421 120.248 118.700 0.212 0.000 2.402 227 N HA 0.098 4.838 4.740 0.000 0.000 0.259 227 N C -1.416 174.197 175.510 0.173 0.000 1.167 227 N CA -0.052 53.083 53.050 0.142 0.000 0.949 227 N CB 0.117 38.647 38.487 0.071 0.000 1.212 227 N HN 0.475 nan 8.380 nan 0.000 0.493 228 Y N 1.964 122.313 120.300 0.081 0.000 2.487 228 Y HA 0.653 5.203 4.550 0.000 0.000 0.337 228 Y C -0.223 175.718 175.900 0.068 0.000 1.076 228 Y CA -0.586 57.551 58.100 0.063 0.000 1.115 228 Y CB 1.938 40.437 38.460 0.065 0.000 1.235 228 Y HN 0.256 nan 8.280 nan 0.000 0.468 229 T N 4.281 118.140 114.554 -1.157 0.000 3.159 229 T HA 0.200 4.550 4.350 0.000 0.000 0.343 229 T C -1.961 172.228 174.700 -0.852 0.000 1.364 229 T CA -0.719 60.941 62.100 -0.734 0.000 1.102 229 T CB 1.025 69.761 68.868 -0.221 0.000 1.263 229 T HN 0.804 nan 8.240 nan 0.000 0.477 230 E N 3.103 123.078 120.200 -0.375 0.000 2.227 230 E HA 0.589 4.939 4.350 0.000 0.000 0.282 230 E C -1.394 175.193 176.600 -0.021 0.000 1.015 230 E CA -0.683 55.658 56.400 -0.098 0.000 0.823 230 E CB 0.679 30.439 29.700 0.099 0.000 1.081 230 E HN 0.438 nan 8.360 nan 0.000 0.396 231 F N 3.492 123.350 119.950 -0.152 0.000 2.507 231 F HA 0.394 4.921 4.527 -0.000 0.000 0.328 231 F C -0.896 174.860 175.800 -0.073 0.000 1.136 231 F CA -0.527 57.413 58.000 -0.099 0.000 0.930 231 F CB 1.585 40.542 39.000 -0.070 0.000 1.166 231 F HN 0.271 nan 8.300 nan 0.000 0.436 232 T N 4.182 118.274 114.554 -0.769 0.000 2.909 232 T HA 0.395 4.745 4.350 0.000 0.000 0.289 232 T C -0.075 174.101 174.700 -0.872 0.000 1.005 232 T CA -0.283 61.410 62.100 -0.679 0.000 1.084 232 T CB 1.177 69.741 68.868 -0.506 0.000 0.975 232 T HN 0.632 nan 8.240 nan 0.000 0.509 233 T N 4.230 118.546 114.554 -0.396 0.000 2.928 233 T HA 0.263 4.613 4.350 0.000 0.000 0.284 233 T C -1.437 173.161 174.700 -0.170 0.000 1.008 233 T CA -1.467 60.465 62.100 -0.281 0.000 1.057 233 T CB 1.351 70.181 68.868 -0.062 0.000 1.018 233 T HN 0.264 nan 8.240 nan 0.000 0.493 234 P HA -0.139 nan 4.420 nan 0.000 0.217 234 P C 0.977 178.217 177.300 -0.100 0.000 1.148 234 P CA 1.085 64.144 63.100 -0.068 0.000 0.834 234 P CB 0.157 31.842 31.700 -0.024 0.000 0.783 235 D N -2.092 118.200 120.400 -0.180 0.000 2.224 235 D HA -0.010 4.630 4.640 0.000 0.000 0.205 235 D C 1.629 177.768 176.300 -0.268 0.000 0.965 235 D CA 1.688 55.521 54.000 -0.277 0.000 0.852 235 D CB -0.271 40.209 40.800 -0.533 0.000 0.947 235 D HN 0.260 nan 8.370 nan 0.000 0.494 236 G N 0.295 108.972 108.800 -0.205 0.000 2.164 236 G HA2 -0.164 3.796 3.960 0.000 0.000 0.154 236 G HA3 -0.164 3.796 3.960 0.000 0.000 0.154 236 G C -0.204 174.806 174.900 0.183 0.000 1.014 236 G CA -0.574 44.524 45.100 -0.002 0.000 0.683 236 G HN 0.432 nan 8.290 nan 0.000 0.500 237 H N -0.173 118.996 119.070 0.165 0.000 2.548 237 H HA 0.502 5.058 4.556 0.000 0.000 0.331 237 H C -0.481 175.090 175.328 0.406 0.000 1.093 237 H CA -0.649 55.539 56.048 0.233 0.000 1.367 237 H CB 0.821 30.724 29.762 0.236 0.000 1.455 237 H HN 0.136 nan 8.280 nan 0.000 0.519 238 Y N 2.175 122.577 120.300 0.171 0.000 2.320 238 Y HA 0.167 4.717 4.550 0.000 0.000 0.334 238 Y C -0.474 175.511 175.900 0.143 0.000 1.055 238 Y CA -0.844 57.335 58.100 0.133 0.000 1.143 238 Y CB 0.128 38.631 38.460 0.073 0.000 1.193 238 Y HN 0.545 nan 8.280 nan 0.000 0.477 239 Y N 1.682 122.106 120.300 0.207 0.000 2.446 239 Y HA 0.317 4.867 4.550 0.000 0.000 0.345 239 Y C -0.045 175.923 175.900 0.112 0.000 0.984 239 Y CA -1.102 57.098 58.100 0.168 0.000 1.058 239 Y CB 1.472 40.035 38.460 0.171 0.000 1.220 239 Y HN 0.522 nan 8.280 nan 0.000 0.455 240 D N 3.758 124.260 120.400 0.170 0.000 2.225 240 D HA 0.372 5.012 4.640 0.000 0.000 0.248 240 D C -0.951 175.337 176.300 -0.020 0.000 1.096 240 D CA 0.031 54.121 54.000 0.149 0.000 0.863 240 D CB 1.914 42.839 40.800 0.208 0.000 1.156 240 D HN 0.252 nan 8.370 nan 0.000 0.450 241 I N 2.629 123.062 120.570 -0.229 0.000 2.418 241 I HA 0.261 4.431 4.170 0.000 0.000 0.287 241 I C -0.706 175.309 176.117 -0.170 0.000 1.008 241 I CA -0.580 60.531 61.300 -0.315 0.000 1.104 241 I CB 1.744 39.359 38.000 -0.640 0.000 1.264 241 I HN 0.122 nan 8.210 nan 0.000 0.438 242 L N 5.918 127.114 121.223 -0.044 0.000 2.401 242 L HA 0.600 4.940 4.340 0.000 0.000 0.266 242 L C -0.665 176.130 176.870 -0.124 0.000 0.991 242 L CA -0.344 54.481 54.840 -0.024 0.000 0.818 242 L CB 2.042 44.070 42.059 -0.051 0.000 1.321 242 L HN 0.666 nan 8.230 nan 0.000 0.413 243 E N 3.615 123.709 120.200 -0.176 0.000 2.165 243 E HA 0.524 4.874 4.350 0.000 0.000 0.266 243 E C -1.784 174.734 176.600 -0.137 0.000 0.889 243 E CA -0.659 55.519 56.400 -0.370 0.000 0.756 243 E CB 1.212 30.562 29.700 -0.583 0.000 1.131 243 E HN 0.527 nan 8.360 nan 0.000 0.411 244 L N 7.655 128.798 121.223 -0.135 0.000 2.324 244 L HA 0.413 4.753 4.340 0.000 0.000 0.274 244 L C -2.209 174.680 176.870 0.031 0.000 1.012 244 L CA -1.809 52.979 54.840 -0.087 0.000 0.859 244 L CB 1.293 43.120 42.059 -0.387 0.000 1.224 244 L HN 0.487 nan 8.230 nan 0.000 0.429 245 P HA 0.192 nan 4.420 nan 0.000 0.276 245 P C -1.178 176.232 177.300 0.183 0.000 1.261 245 P CA -0.361 62.846 63.100 0.178 0.000 0.800 245 P CB 0.863 32.657 31.700 0.156 0.000 1.066 246 Y N -0.679 119.828 120.300 0.345 0.000 2.453 246 Y HA 0.160 4.710 4.550 -0.000 0.000 0.326 246 Y C 2.244 178.354 175.900 0.350 0.000 1.186 246 Y CA -0.104 58.200 58.100 0.340 0.000 1.200 246 Y CB 0.235 38.871 38.460 0.292 0.000 1.247 246 Y HN 0.477 nan 8.280 nan 0.000 0.482 247 H N -0.930 118.293 119.070 0.256 0.000 2.554 247 H HA -0.085 4.471 4.556 0.000 0.000 0.290 247 H C 1.526 176.942 175.328 0.147 0.000 1.058 247 H CA 0.952 57.097 56.048 0.162 0.000 1.224 247 H CB -1.041 28.793 29.762 0.119 0.000 1.359 247 H HN 0.822 nan 8.280 nan 0.000 0.589 248 G N -0.104 108.783 108.800 0.145 0.000 2.623 248 G HA2 -0.124 3.836 3.960 0.000 0.000 0.214 248 G HA3 -0.124 3.836 3.960 0.000 0.000 0.214 248 G C 0.240 175.205 174.900 0.108 0.000 1.138 248 G CA 0.381 45.494 45.100 0.022 0.000 0.794 248 G HN 0.394 nan 8.290 nan 0.000 0.535 249 D N -0.684 119.822 120.400 0.176 0.000 3.059 249 D HA -0.199 4.441 4.640 0.000 0.000 0.220 249 D C 1.718 178.109 176.300 0.151 0.000 1.169 249 D CA 1.738 55.833 54.000 0.158 0.000 0.902 249 D CB -1.372 39.495 40.800 0.111 0.000 1.116 249 D HN 0.634 nan 8.370 nan 0.000 0.417 250 T N -3.309 111.341 114.554 0.159 0.000 2.955 250 T HA 0.403 4.753 4.350 0.000 0.000 0.251 250 T C 0.809 175.591 174.700 0.137 0.000 1.002 250 T CA -0.169 62.012 62.100 0.135 0.000 0.970 250 T CB 0.811 69.750 68.868 0.118 0.000 1.091 250 T HN 0.070 nan 8.240 nan 0.000 0.495 251 L N 2.252 123.587 121.223 0.186 0.000 2.354 251 L HA 0.799 5.139 4.340 0.000 0.000 0.269 251 L C -0.490 176.670 176.870 0.482 0.000 1.005 251 L CA -0.502 54.452 54.840 0.190 0.000 0.819 251 L CB 2.405 44.460 42.059 -0.006 0.000 1.311 251 L HN 0.433 nan 8.230 nan 0.000 0.423 252 S N 1.960 117.981 115.700 0.535 0.000 2.567 252 S HA 0.613 5.083 4.470 0.000 0.000 0.270 252 S C -1.092 173.921 174.600 0.688 0.000 1.152 252 S CA -0.913 57.683 58.200 0.659 0.000 0.835 252 S CB 1.479 64.854 63.200 0.291 0.000 1.115 252 S HN 0.603 nan 8.310 nan 0.000 0.459 253 M N 2.219 122.193 119.600 0.624 0.000 2.227 253 M HA 0.629 5.109 4.480 0.000 0.000 0.335 253 M C -2.073 174.450 176.300 0.372 0.000 1.053 253 M CA -0.641 55.015 55.300 0.593 0.000 0.973 253 M CB 0.609 33.610 32.600 0.669 0.000 1.623 253 M HN 0.691 nan 8.290 nan 0.000 0.434 254 F N 5.130 125.239 119.950 0.265 0.000 2.408 254 F HA 0.495 5.022 4.527 -0.000 0.000 0.344 254 F C -0.033 175.874 175.800 0.179 0.000 1.112 254 F CA -0.668 57.463 58.000 0.219 0.000 1.096 254 F CB 0.950 40.127 39.000 0.296 0.000 1.129 254 F HN 0.330 nan 8.300 nan 0.000 0.486 255 I N 2.990 123.690 120.570 0.218 0.000 2.377 255 I HA 0.578 4.748 4.170 0.000 0.000 0.293 255 I C -0.267 175.894 176.117 0.073 0.000 0.987 255 I CA -0.909 60.478 61.300 0.145 0.000 1.185 255 I CB 1.099 39.136 38.000 0.061 0.000 1.341 255 I HN 0.629 nan 8.210 nan 0.000 0.455 256 A N 5.546 128.420 122.820 0.091 0.000 2.411 256 A HA 0.882 5.202 4.320 0.000 0.000 0.285 256 A C -0.695 177.008 177.584 0.198 0.000 1.129 256 A CA -0.397 51.672 52.037 0.053 0.000 0.736 256 A CB 1.282 20.221 19.000 -0.103 0.000 1.186 256 A HN 0.809 nan 8.150 nan 0.000 0.445 257 A N 3.767 126.701 122.820 0.189 0.000 2.479 257 A HA 1.034 5.354 4.320 0.000 0.000 0.296 257 A C -3.115 174.389 177.584 -0.134 0.000 1.121 257 A CA -1.858 50.258 52.037 0.131 0.000 0.743 257 A CB 1.664 20.664 19.000 -0.001 0.000 1.323 257 A HN 0.528 nan 8.150 nan 0.000 0.415 258 P HA 0.201 nan 4.420 nan 0.000 0.278 258 P C -0.185 176.856 177.300 -0.433 0.000 1.266 258 P CA -0.059 62.343 63.100 -1.163 0.000 0.807 258 P CB 0.900 31.905 31.700 -1.158 0.000 1.094 259 Y N 0.380 120.464 120.300 -0.360 0.000 2.153 259 Y HA -0.005 4.545 4.550 -0.000 0.000 0.289 259 Y C 1.057 176.833 175.900 -0.208 0.000 1.119 259 Y CA 1.464 59.454 58.100 -0.184 0.000 1.116 259 Y CB -0.355 38.055 38.460 -0.084 0.000 1.004 259 Y HN 0.327 nan 8.280 nan 0.000 0.501 260 E N 0.390 120.605 120.200 0.025 0.000 2.331 260 E HA 0.104 4.454 4.350 0.000 0.000 0.272 260 E C 0.615 177.128 176.600 -0.146 0.000 1.036 260 E CA 0.151 56.514 56.400 -0.062 0.000 0.864 260 E CB 1.212 30.846 29.700 -0.109 0.000 1.035 260 E HN 0.106 nan 8.360 nan 0.000 0.408 261 K N 1.769 122.084 120.400 -0.143 0.000 2.418 261 K HA -0.059 4.261 4.320 0.000 0.000 0.195 261 K C 0.725 177.260 176.600 -0.107 0.000 1.035 261 K CA 0.504 56.697 56.287 -0.156 0.000 1.003 261 K CB 0.318 32.697 32.500 -0.202 0.000 0.793 261 K HN 0.390 nan 8.250 nan 0.000 0.494 262 E N 0.127 120.265 120.200 -0.103 0.000 2.072 262 E HA -0.098 4.252 4.350 0.000 0.000 0.191 262 E C 0.419 176.967 176.600 -0.088 0.000 0.985 262 E CA 0.502 56.852 56.400 -0.083 0.000 0.801 262 E CB 0.068 29.714 29.700 -0.089 0.000 0.750 262 E HN -0.008 nan 8.360 nan 0.000 0.452 263 V N 3.436 123.265 119.914 -0.142 0.000 2.470 263 V HA 0.156 4.276 4.120 0.000 0.000 0.276 263 V C -2.231 173.878 176.094 0.024 0.000 1.040 263 V CA -2.125 60.102 62.300 -0.122 0.000 1.008 263 V CB 0.622 32.260 31.823 -0.308 0.000 0.990 263 V HN 0.035 nan 8.190 nan 0.000 0.477 264 P HA 0.059 nan 4.420 nan 0.000 0.274 264 P C 0.610 178.044 177.300 0.224 0.000 1.246 264 P CA -0.434 62.739 63.100 0.121 0.000 0.795 264 P CB 1.229 32.982 31.700 0.089 0.000 1.006 265 L N 1.880 123.221 121.223 0.197 0.000 2.275 265 L HA -0.131 4.209 4.340 0.000 0.000 0.215 265 L C 2.666 179.619 176.870 0.138 0.000 1.119 265 L CA 1.882 56.855 54.840 0.223 0.000 0.790 265 L CB -1.310 40.859 42.059 0.184 0.000 0.919 265 L HN 0.489 nan 8.230 nan 0.000 0.443 266 S N -0.351 115.414 115.700 0.108 0.000 2.359 266 S HA -0.289 4.181 4.470 0.000 0.000 0.223 266 S C 2.231 176.871 174.600 0.068 0.000 1.039 266 S CA 1.575 59.816 58.200 0.068 0.000 1.042 266 S CB -0.519 62.716 63.200 0.057 0.000 0.915 266 S HN 0.587 nan 8.310 nan 0.000 0.439 267 A N 0.853 123.736 122.820 0.104 0.000 2.024 267 A HA 0.004 4.324 4.320 0.000 0.000 0.220 267 A C 2.193 179.788 177.584 0.018 0.000 1.164 267 A CA 1.711 53.810 52.037 0.104 0.000 0.643 267 A CB -0.744 18.395 19.000 0.232 0.000 0.806 267 A HN 0.631 nan 8.150 nan 0.000 0.451 268 L N -0.055 121.108 121.223 -0.100 0.000 2.084 268 L HA -0.049 4.291 4.340 0.000 0.000 0.202 268 L C 2.740 179.623 176.870 0.021 0.000 1.074 268 L CA 2.789 57.495 54.840 -0.223 0.000 0.757 268 L CB -0.990 40.715 42.059 -0.589 0.000 0.918 268 L HN 0.492 nan 8.230 nan 0.000 0.444 269 T N -3.018 111.575 114.554 0.066 0.000 2.881 269 T HA -0.133 4.217 4.350 0.000 0.000 0.270 269 T C 1.668 176.421 174.700 0.089 0.000 1.068 269 T CA 1.425 63.605 62.100 0.134 0.000 1.131 269 T CB -0.705 68.247 68.868 0.140 0.000 0.871 269 T HN 0.307 nan 8.240 nan 0.000 0.479 270 N N 1.544 120.277 118.700 0.055 0.000 2.512 270 N HA 0.127 4.867 4.740 0.000 0.000 0.183 270 N C 1.539 177.080 175.510 0.052 0.000 1.073 270 N CA 0.823 53.896 53.050 0.038 0.000 0.911 270 N CB -0.246 38.259 38.487 0.029 0.000 0.964 270 N HN 0.823 nan 8.380 nan 0.000 0.447 271 I N -3.378 117.239 120.570 0.079 0.000 4.082 271 I HA 0.233 4.403 4.170 0.000 0.000 0.337 271 I C 0.168 176.326 176.117 0.068 0.000 1.352 271 I CA -0.309 61.045 61.300 0.091 0.000 1.097 271 I CB 0.093 38.183 38.000 0.151 0.000 1.048 271 I HN -0.200 nan 8.210 nan 0.000 0.393 272 L N 2.927 124.189 121.223 0.065 0.000 2.529 272 L HA 0.112 4.452 4.340 0.000 0.000 0.287 272 L C 0.336 177.170 176.870 -0.060 0.000 1.241 272 L CA 0.837 55.681 54.840 0.007 0.000 0.857 272 L CB 0.598 42.708 42.059 0.085 0.000 1.113 272 L HN 0.665 nan 8.230 nan 0.000 0.504 273 S N 0.644 116.240 115.700 -0.174 0.000 2.597 273 S HA 0.399 4.869 4.470 0.000 0.000 0.274 273 S C 0.059 174.485 174.600 -0.290 0.000 1.132 273 S CA -0.348 57.744 58.200 -0.179 0.000 0.835 273 S CB 1.285 64.398 63.200 -0.145 0.000 1.092 273 S HN 0.664 nan 8.310 nan 0.000 0.457 274 A N 0.823 123.496 122.820 -0.244 0.000 2.019 274 A HA -0.040 4.280 4.320 0.000 0.000 0.219 274 A C 1.997 179.419 177.584 -0.271 0.000 1.164 274 A CA 1.598 53.471 52.037 -0.274 0.000 0.644 274 A CB -0.850 17.960 19.000 -0.315 0.000 0.805 274 A HN 0.808 nan 8.150 nan 0.000 0.449 275 Q N -1.230 118.422 119.800 -0.245 0.000 2.049 275 Q HA -0.099 4.241 4.340 0.000 0.000 0.198 275 Q C 2.035 177.570 176.000 -0.776 0.000 0.971 275 Q CA 1.271 56.818 55.803 -0.426 0.000 0.833 275 Q CB -0.324 28.204 28.738 -0.350 0.000 0.896 275 Q HN 0.571 nan 8.270 nan 0.000 0.434 276 L N 0.999 121.812 121.223 -0.684 0.000 2.187 276 L HA -0.153 4.187 4.340 0.000 0.000 0.213 276 L C 1.868 177.916 176.870 -1.369 0.000 1.100 276 L CA 1.473 55.814 54.840 -0.833 0.000 0.765 276 L CB -0.193 41.482 42.059 -0.641 0.000 0.904 276 L HN 0.183 nan 8.230 nan 0.000 0.437 277 I N -2.012 117.836 120.570 -1.204 0.000 2.406 277 I HA -0.192 3.978 4.170 0.000 0.000 0.249 277 I C 2.532 178.250 176.117 -0.666 0.000 1.122 277 I CA 1.085 61.631 61.300 -1.257 0.000 1.431 277 I CB -0.424 37.036 38.000 -0.899 0.000 1.087 277 I HN 0.232 nan 8.210 nan 0.000 0.424 278 S N 0.075 115.491 115.700 -0.474 0.000 2.368 278 S HA -0.199 4.271 4.470 0.000 0.000 0.224 278 S C 2.123 176.713 174.600 -0.016 0.000 1.029 278 S CA 1.363 59.440 58.200 -0.204 0.000 0.988 278 S CB -0.274 62.820 63.200 -0.176 0.000 0.838 278 S HN 0.411 nan 8.310 nan 0.000 0.462 279 H N 0.161 119.112 119.070 -0.199 0.000 2.353 279 H HA -0.052 4.504 4.556 0.000 0.000 0.300 279 H C 1.871 177.240 175.328 0.068 0.000 1.090 279 H CA 1.408 57.408 56.048 -0.080 0.000 1.327 279 H CB -0.710 28.984 29.762 -0.114 0.000 1.383 279 H HN 0.511 nan 8.280 nan 0.000 0.508 280 W N 1.431 122.740 121.300 0.016 0.000 2.329 280 W HA -0.143 4.517 4.660 0.000 0.000 0.324 280 W C 2.619 179.203 176.519 0.108 0.000 1.222 280 W CA 1.127 58.478 57.345 0.009 0.000 1.270 280 W CB -1.257 28.196 29.460 -0.012 0.000 1.167 280 W HN 0.134 nan 8.180 nan 0.000 0.467 281 K N 0.311 120.971 120.400 0.433 0.000 2.173 281 K HA -0.154 4.166 4.320 0.000 0.000 0.207 281 K C 2.137 178.883 176.600 0.243 0.000 1.046 281 K CA 2.083 58.613 56.287 0.405 0.000 0.929 281 K CB -0.991 31.716 32.500 0.345 0.000 0.720 281 K HN 0.105 nan 8.250 nan 0.000 0.453 282 G N -0.710 108.204 108.800 0.189 0.000 2.464 282 G HA2 -0.151 3.809 3.960 0.000 0.000 0.217 282 G HA3 -0.151 3.809 3.960 0.000 0.000 0.217 282 G C 1.066 176.032 174.900 0.111 0.000 1.138 282 G CA 0.503 45.682 45.100 0.131 0.000 0.793 282 G HN 0.457 nan 8.290 nan 0.000 0.539 283 N N -0.126 118.651 118.700 0.128 0.000 2.336 283 N HA 0.196 4.936 4.740 0.000 0.000 0.189 283 N C 0.537 176.098 175.510 0.086 0.000 1.113 283 N CA -0.334 52.773 53.050 0.096 0.000 0.858 283 N CB 0.182 38.728 38.487 0.099 0.000 0.970 283 N HN 0.294 nan 8.380 nan 0.000 0.471 284 M N 1.142 120.806 119.600 0.106 0.000 2.245 284 M HA 0.086 4.566 4.480 0.000 0.000 0.330 284 M C -0.052 176.300 176.300 0.087 0.000 1.098 284 M CA 0.521 55.874 55.300 0.087 0.000 1.172 284 M CB 0.759 33.425 32.600 0.108 0.000 1.467 284 M HN -0.016 nan 8.290 nan 0.000 0.454 285 T N -0.097 114.515 114.554 0.096 0.000 2.971 285 T HA 0.428 4.778 4.350 0.000 0.000 0.304 285 T C -0.427 174.340 174.700 0.111 0.000 1.038 285 T CA -1.118 61.038 62.100 0.094 0.000 1.007 285 T CB 1.245 70.168 68.868 0.093 0.000 1.055 285 T HN 0.592 nan 8.240 nan 0.000 0.451 286 R N 2.262 122.809 120.500 0.078 0.000 2.413 286 R HA 0.310 4.650 4.340 0.000 0.000 0.333 286 R C -0.480 175.853 176.300 0.055 0.000 1.074 286 R CA -0.004 56.133 56.100 0.060 0.000 0.982 286 R CB -0.341 29.968 30.300 0.015 0.000 0.981 286 R HN 0.527 nan 8.270 nan 0.000 0.452 287 L N 5.407 126.684 121.223 0.091 0.000 2.334 287 L HA 0.498 4.838 4.340 0.000 0.000 0.273 287 L C -1.987 174.901 176.870 0.030 0.000 1.013 287 L CA -2.618 52.262 54.840 0.066 0.000 0.816 287 L CB 2.029 44.149 42.059 0.102 0.000 1.278 287 L HN 0.344 nan 8.230 nan 0.000 0.431 288 P HA 0.205 nan 4.420 nan 0.000 0.271 288 P C -1.106 176.195 177.300 0.002 0.000 1.226 288 P CA -0.219 62.863 63.100 -0.030 0.000 0.765 288 P CB 0.983 32.662 31.700 -0.036 0.000 0.835 289 R N 2.315 122.847 120.500 0.053 0.000 2.680 289 R HA 0.447 4.787 4.340 0.000 0.000 0.269 289 R C -1.071 175.321 176.300 0.154 0.000 1.026 289 R CA -1.145 55.012 56.100 0.095 0.000 0.889 289 R CB 1.592 31.984 30.300 0.154 0.000 1.241 289 R HN 0.378 nan 8.270 nan 0.000 0.463 290 L N 2.933 124.206 121.223 0.082 0.000 2.283 290 L HA 0.396 4.736 4.340 0.000 0.000 0.281 290 L C -0.933 175.980 176.870 0.072 0.000 1.033 290 L CA -0.302 54.592 54.840 0.089 0.000 0.848 290 L CB 0.738 42.819 42.059 0.036 0.000 1.226 290 L HN 0.437 nan 8.230 nan 0.000 0.429 291 L N 6.627 127.921 121.223 0.118 0.000 2.276 291 L HA 0.525 4.865 4.340 0.000 0.000 0.286 291 L C -1.137 175.790 176.870 0.094 0.000 1.061 291 L CA -0.346 54.487 54.840 -0.011 0.000 0.807 291 L CB 1.675 43.546 42.059 -0.313 0.000 1.177 291 L HN 0.439 nan 8.230 nan 0.000 0.429 292 V N 6.886 126.822 119.914 0.037 0.000 2.349 292 V HA 0.367 4.487 4.120 0.000 0.000 0.284 292 V C -0.334 175.753 176.094 -0.011 0.000 1.014 292 V CA -0.591 61.740 62.300 0.051 0.000 0.826 292 V CB 1.686 33.549 31.823 0.067 0.000 1.009 292 V HN 0.619 nan 8.190 nan 0.000 0.431 293 L N 8.570 129.752 121.223 -0.068 0.000 2.362 293 L HA 0.772 5.112 4.340 0.000 0.000 0.275 293 L C -2.480 174.339 176.870 -0.084 0.000 0.998 293 L CA -1.856 52.938 54.840 -0.077 0.000 0.820 293 L CB 2.687 44.659 42.059 -0.145 0.000 1.270 293 L HN 0.349 nan 8.230 nan 0.000 0.415 294 P HA 0.142 nan 4.420 nan 0.000 0.276 294 P C -1.344 176.041 177.300 0.142 0.000 1.235 294 P CA -0.381 62.767 63.100 0.080 0.000 0.772 294 P CB 0.479 32.277 31.700 0.163 0.000 0.871 295 K N 3.834 124.242 120.400 0.012 0.000 2.219 295 K HA 0.526 4.846 4.320 0.000 0.000 0.258 295 K C -0.181 176.496 176.600 0.129 0.000 1.008 295 K CA -0.229 56.030 56.287 -0.047 0.000 0.928 295 K CB 0.244 32.681 32.500 -0.104 0.000 0.983 295 K HN 0.486 nan 8.250 nan 0.000 0.484 296 F N -2.973 116.957 119.950 -0.033 0.000 2.741 296 F HA 0.462 4.989 4.527 0.000 0.000 0.311 296 F C -1.446 174.345 175.800 -0.015 0.000 1.149 296 F CA -1.088 56.890 58.000 -0.036 0.000 0.930 296 F CB 1.692 40.665 39.000 -0.046 0.000 1.312 296 F HN 0.381 nan 8.300 nan 0.000 0.450 297 S N 2.401 118.241 115.700 0.233 0.000 2.383 297 S HA 0.535 5.005 4.470 0.000 0.000 0.196 297 S C -0.815 173.878 174.600 0.155 0.000 1.364 297 S CA -0.598 57.680 58.200 0.130 0.000 1.212 297 S CB 0.233 63.459 63.200 0.045 0.000 1.171 297 S HN 0.585 nan 8.310 nan 0.000 0.456 298 L N 1.923 123.281 121.223 0.225 0.000 2.439 298 L HA 0.642 4.982 4.340 0.000 0.000 0.259 298 L C 0.396 177.334 176.870 0.113 0.000 1.129 298 L CA -0.457 54.476 54.840 0.155 0.000 0.803 298 L CB 0.798 42.960 42.059 0.172 0.000 1.161 298 L HN 0.510 nan 8.230 nan 0.000 0.462 299 E N 0.660 120.913 120.200 0.089 0.000 2.367 299 E HA 0.274 4.624 4.350 0.000 0.000 0.292 299 E C -1.437 175.209 176.600 0.076 0.000 0.900 299 E CA -0.326 56.121 56.400 0.078 0.000 0.807 299 E CB 1.748 31.484 29.700 0.060 0.000 1.337 299 E HN 0.637 nan 8.360 nan 0.000 0.394 300 T N 1.558 116.166 114.554 0.091 0.000 2.909 300 T HA 0.488 4.838 4.350 0.000 0.000 0.299 300 T C -1.192 173.568 174.700 0.100 0.000 1.073 300 T CA -0.714 61.441 62.100 0.091 0.000 0.999 300 T CB 1.814 70.744 68.868 0.103 0.000 1.098 300 T HN 0.445 nan 8.240 nan 0.000 0.477 301 E N 2.548 122.799 120.200 0.086 0.000 2.191 301 E HA 0.587 4.937 4.350 0.000 0.000 0.263 301 E C -1.415 175.238 176.600 0.088 0.000 0.881 301 E CA -0.943 55.511 56.400 0.089 0.000 0.757 301 E CB 1.822 31.562 29.700 0.068 0.000 1.147 301 E HN 0.596 nan 8.360 nan 0.000 0.414 302 V N 3.957 123.942 119.914 0.118 0.000 2.555 302 V HA 0.354 4.474 4.120 0.000 0.000 0.302 302 V C -0.985 175.165 176.094 0.093 0.000 1.038 302 V CA -0.701 61.660 62.300 0.102 0.000 0.887 302 V CB 1.843 33.747 31.823 0.134 0.000 0.991 302 V HN 0.821 nan 8.190 nan 0.000 0.434 303 D N 5.393 125.822 120.400 0.048 0.000 2.347 303 D HA 0.170 4.810 4.640 0.000 0.000 0.235 303 D C 0.537 176.853 176.300 0.027 0.000 1.149 303 D CA -0.334 53.688 54.000 0.036 0.000 0.850 303 D CB 1.666 42.467 40.800 0.001 0.000 1.061 303 D HN 0.455 nan 8.370 nan 0.000 0.487 304 L N 4.406 125.675 121.223 0.077 0.000 2.610 304 L HA 0.088 4.428 4.340 0.000 0.000 0.232 304 L C 2.266 179.148 176.870 0.020 0.000 1.149 304 L CA 0.459 55.355 54.840 0.094 0.000 0.872 304 L CB -1.069 41.108 42.059 0.197 0.000 0.992 304 L HN 0.465 nan 8.230 nan 0.000 0.447 305 R N 0.260 120.687 120.500 -0.122 0.000 2.109 305 R HA -0.239 4.101 4.340 0.000 0.000 0.227 305 R C 2.191 178.207 176.300 -0.474 0.000 1.132 305 R CA 1.793 57.572 56.100 -0.536 0.000 0.907 305 R CB 0.007 30.003 30.300 -0.507 0.000 0.825 305 R HN 0.018 nan 8.270 nan 0.000 0.432 306 K N -0.140 120.095 120.400 -0.275 0.000 2.044 306 K HA -0.088 4.232 4.320 0.000 0.000 0.210 306 K C -0.988 175.542 176.600 -0.117 0.000 1.049 306 K CA 1.790 57.968 56.287 -0.182 0.000 0.927 306 K CB -0.914 31.510 32.500 -0.127 0.000 0.713 306 K HN 0.239 nan 8.250 nan 0.000 0.443 307 P HA -0.157 nan 4.420 nan 0.000 0.216 307 P C 0.916 178.215 177.300 -0.003 0.000 1.150 307 P CA 0.925 63.984 63.100 -0.068 0.000 0.837 307 P CB 0.110 31.759 31.700 -0.085 0.000 0.786 308 L N -0.203 121.053 121.223 0.056 0.000 2.044 308 L HA -0.121 4.219 4.340 0.000 0.000 0.205 308 L C 2.138 179.118 176.870 0.185 0.000 1.075 308 L CA 1.818 56.775 54.840 0.194 0.000 0.747 308 L CB -1.636 40.658 42.059 0.391 0.000 0.903 308 L HN 0.025 nan 8.230 nan 0.000 0.435 309 E N -0.704 119.561 120.200 0.108 0.000 2.204 309 E HA -0.187 4.163 4.350 0.000 0.000 0.195 309 E C 1.470 178.107 176.600 0.062 0.000 0.990 309 E CA 0.870 57.331 56.400 0.101 0.000 0.821 309 E CB -0.164 29.544 29.700 0.014 0.000 0.750 309 E HN 0.481 nan 8.360 nan 0.000 0.477 310 N N 0.411 119.128 118.700 0.029 0.000 2.512 310 N HA -0.042 4.698 4.740 0.000 0.000 0.183 310 N C 1.173 176.706 175.510 0.038 0.000 1.073 310 N CA 0.692 53.752 53.050 0.016 0.000 0.911 310 N CB 0.189 38.666 38.487 -0.017 0.000 0.964 310 N HN 0.212 nan 8.380 nan 0.000 0.447 311 L N -1.443 119.823 121.223 0.073 0.000 2.728 311 L HA 0.344 4.684 4.340 0.000 0.000 0.238 311 L C 1.269 178.205 176.870 0.109 0.000 1.143 311 L CA 0.070 54.970 54.840 0.100 0.000 0.937 311 L CB 0.277 42.424 42.059 0.147 0.000 1.225 311 L HN 0.166 nan 8.230 nan 0.000 0.507 312 G N 0.211 109.069 108.800 0.097 0.000 2.259 312 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 312 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 312 G C 0.444 175.402 174.900 0.097 0.000 1.001 312 G CA -0.310 44.841 45.100 0.084 0.000 0.627 312 G HN 0.218 nan 8.290 nan 0.000 0.501 313 M N 3.496 123.178 119.600 0.136 0.000 3.596 313 M HA 0.270 4.750 4.480 0.000 0.000 0.219 313 M C 1.910 178.354 176.300 0.240 0.000 1.471 313 M CA 0.850 56.236 55.300 0.144 0.000 1.644 313 M CB 0.078 32.768 32.600 0.150 0.000 1.083 313 M HN 0.413 nan 8.290 nan 0.000 0.579 314 T N -3.299 111.369 114.554 0.190 0.000 2.852 314 T HA -0.066 4.284 4.350 0.000 0.000 0.256 314 T C 1.214 176.058 174.700 0.240 0.000 1.038 314 T CA 1.102 63.346 62.100 0.240 0.000 1.141 314 T CB -0.087 68.866 68.868 0.141 0.000 0.869 314 T HN 0.335 nan 8.240 nan 0.000 0.439 315 D N 2.499 122.976 120.400 0.127 0.000 2.157 315 D HA -0.183 4.457 4.640 0.000 0.000 0.191 315 D C 2.146 178.487 176.300 0.069 0.000 1.004 315 D CA 2.018 56.069 54.000 0.086 0.000 0.854 315 D CB -0.565 40.258 40.800 0.038 0.000 0.936 315 D HN 0.714 nan 8.370 nan 0.000 0.446 316 M N -1.823 117.754 119.600 -0.039 0.000 2.435 316 M HA -0.095 4.385 4.480 0.000 0.000 0.262 316 M C 1.070 177.253 176.300 -0.195 0.000 1.065 316 M CA 1.420 56.638 55.300 -0.137 0.000 1.076 316 M CB -0.373 32.021 32.600 -0.343 0.000 1.403 316 M HN -0.090 nan 8.290 nan 0.000 0.454 317 F N 0.434 120.484 119.950 0.167 0.000 2.582 317 F HA 0.327 4.854 4.527 0.000 0.000 0.290 317 F C 0.873 176.778 175.800 0.176 0.000 1.115 317 F CA -0.192 57.913 58.000 0.176 0.000 1.445 317 F CB 0.027 39.096 39.000 0.115 0.000 1.126 317 F HN -0.039 nan 8.300 nan 0.000 0.574 318 R N 1.430 122.082 120.500 0.255 0.000 2.298 318 R HA 0.188 4.528 4.340 0.000 0.000 0.310 318 R C 0.104 176.412 176.300 0.014 0.000 1.068 318 R CA -0.203 55.974 56.100 0.128 0.000 0.957 318 R CB 0.549 30.920 30.300 0.119 0.000 1.003 318 R HN 0.180 nan 8.270 nan 0.000 0.454 319 Q N 2.178 121.891 119.800 -0.144 0.000 2.299 319 Q HA 0.064 4.404 4.340 0.000 0.000 0.246 319 Q C -0.572 175.424 176.000 -0.007 0.000 0.935 319 Q CA -0.135 55.470 55.803 -0.331 0.000 0.887 319 Q CB 0.425 28.814 28.738 -0.582 0.000 1.223 319 Q HN 0.634 nan 8.270 nan 0.000 0.439 320 F N 1.268 121.163 119.950 -0.093 0.000 2.840 320 F HA -0.278 4.249 4.527 -0.000 0.000 0.310 320 F C 0.804 176.596 175.800 -0.013 0.000 0.688 320 F CA 1.172 59.147 58.000 -0.041 0.000 1.286 320 F CB -1.311 37.663 39.000 -0.043 0.000 1.612 320 F HN 0.671 nan 8.300 nan 0.000 0.335 321 Q N -0.390 119.487 119.800 0.128 0.000 2.427 321 Q HA 0.613 4.953 4.340 0.000 0.000 0.249 321 Q C 0.813 176.863 176.000 0.083 0.000 0.783 321 Q CA 0.702 56.566 55.803 0.101 0.000 0.978 321 Q CB 0.807 29.600 28.738 0.092 0.000 1.273 321 Q HN 0.331 nan 8.270 nan 0.000 0.524 322 A N 1.619 124.498 122.820 0.097 0.000 2.491 322 A HA 0.209 4.529 4.320 0.000 0.000 0.261 322 A C -0.535 177.151 177.584 0.169 0.000 1.101 322 A CA 0.150 52.276 52.037 0.150 0.000 0.772 322 A CB -0.037 19.129 19.000 0.278 0.000 1.043 322 A HN 0.213 nan 8.150 nan 0.000 0.501 323 D N 2.281 122.721 120.400 0.068 0.000 2.329 323 D HA 0.428 5.068 4.640 0.000 0.000 0.232 323 D C -0.847 175.408 176.300 -0.074 0.000 1.088 323 D CA -0.143 53.875 54.000 0.030 0.000 0.835 323 D CB 0.310 41.095 40.800 -0.025 0.000 1.078 323 D HN 0.347 nan 8.370 nan 0.000 0.495 324 F N 1.327 121.249 119.950 -0.048 0.000 2.764 324 F HA 0.044 4.571 4.527 0.000 0.000 0.310 324 F C 2.166 177.920 175.800 -0.076 0.000 1.124 324 F CA -0.196 57.763 58.000 -0.067 0.000 1.252 324 F CB 0.561 39.505 39.000 -0.093 0.000 1.010 324 F HN 0.337 nan 8.300 nan 0.000 0.518 325 T N -3.929 110.660 114.554 0.058 0.000 3.077 325 T HA -0.128 4.222 4.350 0.000 0.000 0.269 325 T C 1.872 176.578 174.700 0.011 0.000 1.146 325 T CA 1.547 63.662 62.100 0.025 0.000 1.091 325 T CB -0.254 68.625 68.868 0.019 0.000 0.892 325 T HN 0.120 nan 8.240 nan 0.000 0.533 326 S N 0.445 116.154 115.700 0.015 0.000 2.470 326 S HA 0.242 4.713 4.470 0.000 0.000 0.225 326 S C 1.491 176.092 174.600 0.001 0.000 1.006 326 S CA 0.260 58.503 58.200 0.073 0.000 0.934 326 S CB -0.113 63.169 63.200 0.137 0.000 0.778 326 S HN 0.448 nan 8.310 nan 0.000 0.517 327 L N 0.465 121.571 121.223 -0.196 0.000 2.117 327 L HA 0.379 4.719 4.340 0.000 0.000 0.200 327 L C 0.889 177.517 176.870 -0.404 0.000 1.110 327 L CA 1.172 55.617 54.840 -0.657 0.000 0.774 327 L CB -0.386 41.390 42.059 -0.472 0.000 0.934 327 L HN 0.217 nan 8.230 nan 0.000 0.456 328 S N -1.867 113.712 115.700 -0.202 0.000 2.851 328 S HA 0.499 4.969 4.470 0.000 0.000 0.317 328 S C -0.883 173.680 174.600 -0.062 0.000 1.144 328 S CA 0.037 58.160 58.200 -0.128 0.000 0.862 328 S CB 1.199 64.322 63.200 -0.130 0.000 1.259 328 S HN 0.623 nan 8.310 nan 0.000 0.564 329 D N -0.817 119.555 120.400 -0.047 0.000 2.601 329 D HA -0.048 4.592 4.640 0.000 0.000 0.350 329 D C 0.747 177.031 176.300 -0.026 0.000 1.386 329 D CA 0.069 54.054 54.000 -0.025 0.000 0.929 329 D CB -0.916 39.877 40.800 -0.011 0.000 1.456 329 D HN 0.626 nan 8.370 nan 0.000 0.430 330 Q N 1.680 121.458 119.800 -0.036 0.000 2.436 330 Q HA -0.004 4.336 4.340 0.000 0.000 0.209 330 Q C 0.074 176.052 176.000 -0.037 0.000 0.965 330 Q CA 0.798 56.582 55.803 -0.031 0.000 0.910 330 Q CB -0.146 28.573 28.738 -0.032 0.000 0.980 330 Q HN 0.514 nan 8.270 nan 0.000 0.491 331 E N -0.193 119.977 120.200 -0.051 0.000 2.388 331 E HA 0.374 4.724 4.350 0.000 0.000 0.282 331 E C -3.017 173.531 176.600 -0.086 0.000 1.026 331 E CA -2.197 54.163 56.400 -0.067 0.000 0.820 331 E CB 0.920 30.574 29.700 -0.077 0.000 1.226 331 E HN -0.106 nan 8.360 nan 0.000 0.432 332 P HA 0.307 nan 4.420 nan 0.000 0.275 332 P C -0.702 176.510 177.300 -0.147 0.000 1.228 332 P CA -0.281 62.740 63.100 -0.131 0.000 0.786 332 P CB 1.059 32.615 31.700 -0.239 0.000 0.927 333 L N 2.165 123.311 121.223 -0.127 0.000 2.341 333 L HA 0.667 5.007 4.340 0.000 0.000 0.254 333 L C -0.185 176.562 176.870 -0.205 0.000 1.040 333 L CA -0.905 53.779 54.840 -0.261 0.000 0.837 333 L CB 2.240 43.969 42.059 -0.550 0.000 1.425 333 L HN 0.728 nan 8.230 nan 0.000 0.414 334 H N -2.516 116.217 119.070 -0.562 0.000 3.043 334 H HA 0.379 4.935 4.556 -0.000 0.000 0.317 334 H C -1.561 173.584 175.328 -0.305 0.000 1.321 334 H CA -1.115 54.746 56.048 -0.312 0.000 1.243 334 H CB 0.829 30.533 29.762 -0.096 0.000 1.924 334 H HN 0.145 nan 8.280 nan 0.000 0.527 335 V N 2.478 122.229 119.914 -0.273 0.000 2.409 335 V HA 0.144 4.264 4.120 0.000 0.000 0.270 335 V C 1.530 177.511 176.094 -0.189 0.000 1.019 335 V CA 0.834 62.984 62.300 -0.251 0.000 1.066 335 V CB -0.346 31.333 31.823 -0.240 0.000 1.021 335 V HN 1.011 nan 8.190 nan 0.000 0.476 336 A N 4.762 127.393 122.820 -0.316 0.000 2.067 336 A HA 0.034 4.354 4.320 0.000 0.000 0.219 336 A C 0.881 178.478 177.584 0.022 0.000 1.158 336 A CA 1.223 53.151 52.037 -0.182 0.000 0.661 336 A CB -0.064 18.798 19.000 -0.230 0.000 0.801 336 A HN 0.994 nan 8.150 nan 0.000 0.452 337 Q N -3.424 116.411 119.800 0.059 0.000 2.666 337 Q HA 0.637 4.977 4.340 0.000 0.000 0.276 337 Q C -1.284 174.812 176.000 0.161 0.000 0.952 337 Q CA -0.511 55.370 55.803 0.130 0.000 0.850 337 Q CB 0.973 29.747 28.738 0.061 0.000 1.512 337 Q HN 0.663 nan 8.270 nan 0.000 0.395 338 A N 1.930 124.876 122.820 0.211 0.000 2.422 338 A HA 0.904 5.224 4.320 0.000 0.000 0.302 338 A C -1.163 176.513 177.584 0.153 0.000 1.041 338 A CA -0.670 51.491 52.037 0.206 0.000 0.708 338 A CB 1.174 20.373 19.000 0.332 0.000 1.257 338 A HN 0.927 nan 8.150 nan 0.000 0.414 339 L N -0.985 120.320 121.223 0.136 0.000 2.720 339 L HA 0.867 5.207 4.340 0.000 0.000 0.261 339 L C -0.884 176.065 176.870 0.132 0.000 1.046 339 L CA -0.782 54.133 54.840 0.126 0.000 0.886 339 L CB 2.030 44.147 42.059 0.097 0.000 1.493 339 L HN 0.715 nan 8.230 nan 0.000 0.407 340 Q N 1.206 121.091 119.800 0.142 0.000 2.269 340 Q HA 0.417 4.757 4.340 0.000 0.000 0.263 340 Q C -1.724 174.352 176.000 0.127 0.000 0.983 340 Q CA -0.656 55.225 55.803 0.129 0.000 0.777 340 Q CB 2.141 30.964 28.738 0.141 0.000 1.273 340 Q HN 0.669 nan 8.270 nan 0.000 0.440 341 K N 3.976 124.436 120.400 0.101 0.000 2.316 341 K HA 0.492 4.812 4.320 0.000 0.000 0.267 341 K C -1.219 175.434 176.600 0.089 0.000 1.025 341 K CA -0.421 55.924 56.287 0.095 0.000 0.896 341 K CB 1.043 33.592 32.500 0.083 0.000 1.124 341 K HN 0.456 nan 8.250 nan 0.000 0.451 342 V N 3.049 123.023 119.914 0.100 0.000 3.093 342 V HA 0.573 4.693 4.120 0.000 0.000 0.320 342 V C -0.577 175.571 176.094 0.090 0.000 1.093 342 V CA -0.935 61.419 62.300 0.091 0.000 1.016 342 V CB 1.804 33.693 31.823 0.110 0.000 1.096 342 V HN 0.763 nan 8.190 nan 0.000 0.452 343 K N 1.812 122.260 120.400 0.079 0.000 2.561 343 K HA 0.629 4.949 4.320 0.000 0.000 0.254 343 K C -2.256 174.378 176.600 0.057 0.000 0.942 343 K CA -0.500 55.830 56.287 0.072 0.000 0.818 343 K CB 2.547 35.081 32.500 0.056 0.000 1.306 343 K HN 0.731 nan 8.250 nan 0.000 0.435 344 I N 2.767 123.382 120.570 0.075 0.000 2.607 344 I HA 0.348 4.518 4.170 0.000 0.000 0.290 344 I C -1.283 174.838 176.117 0.008 0.000 1.129 344 I CA -0.426 60.901 61.300 0.046 0.000 1.042 344 I CB 1.803 39.874 38.000 0.119 0.000 1.242 344 I HN 0.605 nan 8.210 nan 0.000 0.421 345 E N 7.306 127.458 120.200 -0.080 0.000 2.114 345 E HA 0.372 4.722 4.350 0.000 0.000 0.266 345 E C -1.246 175.219 176.600 -0.224 0.000 0.896 345 E CA -0.511 55.813 56.400 -0.126 0.000 0.750 345 E CB 2.479 32.118 29.700 -0.101 0.000 1.121 345 E HN 0.306 nan 8.360 nan 0.000 0.413 346 V N 4.296 123.994 119.914 -0.361 0.000 2.384 346 V HA 0.313 4.433 4.120 0.000 0.000 0.287 346 V C 0.028 175.970 176.094 -0.253 0.000 1.020 346 V CA -0.708 61.357 62.300 -0.391 0.000 0.850 346 V CB 1.070 32.430 31.823 -0.773 0.000 0.987 346 V HN 0.695 nan 8.190 nan 0.000 0.436 347 N N 2.544 121.189 118.700 -0.092 0.000 3.343 347 N HA 0.402 5.142 4.740 0.000 0.000 0.330 347 N C 0.464 176.066 175.510 0.153 0.000 1.560 347 N CA -0.855 52.180 53.050 -0.024 0.000 0.752 347 N CB 0.856 39.320 38.487 -0.038 0.000 1.863 347 N HN 0.169 nan 8.380 nan 0.000 0.636 348 E N -0.531 119.747 120.200 0.129 0.000 2.118 348 E HA -0.168 4.182 4.350 0.000 0.000 0.195 348 E C 1.337 178.207 176.600 0.450 0.000 0.992 348 E CA 2.275 58.839 56.400 0.274 0.000 0.804 348 E CB -0.272 29.533 29.700 0.175 0.000 0.741 348 E HN 0.633 nan 8.360 nan 0.000 0.458 349 S N -1.556 114.293 115.700 0.249 0.000 2.421 349 S HA 0.325 4.795 4.470 0.000 0.000 0.224 349 S C 1.161 175.725 174.600 -0.061 0.000 1.035 349 S CA 0.320 58.616 58.200 0.160 0.000 0.953 349 S CB 0.523 63.735 63.200 0.020 0.000 0.810 349 S HN 0.337 nan 8.310 nan 0.000 0.497 350 G N -0.228 108.349 108.800 -0.371 0.000 2.562 350 G HA2 0.499 4.459 3.960 0.000 0.000 0.190 350 G HA3 0.499 4.459 3.960 0.000 0.000 0.190 350 G C -1.699 172.715 174.900 -0.810 0.000 1.196 350 G CA -0.139 44.362 45.100 -0.998 0.000 0.986 350 G HN 0.243 nan 8.290 nan 0.000 0.512 351 T N -0.140 114.051 114.554 -0.605 0.000 3.071 351 T HA 0.492 4.842 4.350 0.000 0.000 0.311 351 T C -1.526 172.868 174.700 -0.511 0.000 1.042 351 T CA -0.211 61.632 62.100 -0.430 0.000 1.028 351 T CB 1.925 70.643 68.868 -0.251 0.000 1.068 351 T HN 1.154 nan 8.240 nan 0.000 0.451 352 V N 6.522 126.207 119.914 -0.382 0.000 2.260 352 V HA 0.456 4.576 4.120 0.000 0.000 0.263 352 V C -2.521 173.390 176.094 -0.305 0.000 1.036 352 V CA -2.108 59.934 62.300 -0.429 0.000 0.874 352 V CB 0.777 32.402 31.823 -0.329 0.000 1.116 352 V HN 0.597 nan 8.190 nan 0.000 0.454 353 P HA 0.457 nan 4.420 nan 0.000 0.286 353 P C -0.881 176.337 177.300 -0.136 0.000 1.261 353 P CA -0.279 62.762 63.100 -0.099 0.000 0.821 353 P CB 2.038 33.751 31.700 0.022 0.000 1.013 354 S N 0.963 116.638 115.700 -0.041 0.000 2.592 354 S HA 0.534 5.004 4.470 0.000 0.000 0.275 354 S C -0.966 173.666 174.600 0.054 0.000 1.169 354 S CA -0.460 57.749 58.200 0.015 0.000 0.958 354 S CB 0.430 63.682 63.200 0.087 0.000 1.095 354 S HN 0.565 nan 8.310 nan 0.000 0.471 355 S N 2.697 118.433 115.700 0.061 0.000 2.566 355 S HA 0.828 5.298 4.470 0.000 0.000 0.298 355 S C -0.676 173.967 174.600 0.071 0.000 1.083 355 S CA -0.719 57.514 58.200 0.055 0.000 0.978 355 S CB 1.866 65.076 63.200 0.017 0.000 1.073 355 S HN 0.724 nan 8.310 nan 0.000 0.491 356 S N 1.617 117.363 115.700 0.077 0.000 2.652 356 S HA 0.500 4.970 4.470 0.000 0.000 0.252 356 S C -0.596 174.066 174.600 0.104 0.000 1.219 356 S CA -0.457 57.805 58.200 0.104 0.000 1.151 356 S CB 0.586 63.855 63.200 0.115 0.000 1.080 356 S HN 0.997 nan 8.310 nan 0.000 0.481 357 T N 3.332 117.943 114.554 0.095 0.000 2.799 357 T HA 0.788 5.138 4.350 0.000 0.000 0.286 357 T C -0.249 174.517 174.700 0.109 0.000 0.973 357 T CA -0.295 61.857 62.100 0.087 0.000 1.035 357 T CB 0.904 69.799 68.868 0.045 0.000 0.932 357 T HN 0.796 nan 8.240 nan 0.000 0.469 358 A N 4.079 126.965 122.820 0.109 0.000 2.475 358 A HA 0.757 5.077 4.320 0.000 0.000 0.301 358 A C -1.038 176.603 177.584 0.096 0.000 1.059 358 A CA -0.706 51.395 52.037 0.106 0.000 0.710 358 A CB 1.970 21.036 19.000 0.111 0.000 1.288 358 A HN 0.792 nan 8.150 nan 0.000 0.408 359 V N 2.520 122.483 119.914 0.081 0.000 2.495 359 V HA 0.525 4.645 4.120 0.000 0.000 0.298 359 V C -0.507 175.604 176.094 0.028 0.000 1.031 359 V CA -0.239 62.102 62.300 0.069 0.000 0.871 359 V CB 1.446 33.308 31.823 0.065 0.000 0.988 359 V HN 0.710 nan 8.190 nan 0.000 0.432 360 I N 4.497 125.064 120.570 -0.005 0.000 2.418 360 I HA 0.458 4.628 4.170 0.000 0.000 0.287 360 I C -0.785 175.230 176.117 -0.171 0.000 1.008 360 I CA -0.828 60.424 61.300 -0.080 0.000 1.104 360 I CB 2.187 40.143 38.000 -0.072 0.000 1.264 360 I HN 0.248 nan 8.210 nan 0.000 0.438 361 V N 5.082 124.840 119.914 -0.260 0.000 2.328 361 V HA 0.280 4.400 4.120 0.000 0.000 0.278 361 V C 0.322 176.150 176.094 -0.443 0.000 1.021 361 V CA -0.103 61.947 62.300 -0.416 0.000 0.838 361 V CB 1.083 32.603 31.823 -0.505 0.000 0.999 361 V HN 1.004 nan 8.190 nan 0.000 0.447 362 S N 3.017 118.435 115.700 -0.469 0.000 4.035 362 S HA -0.082 4.388 4.470 0.000 0.000 0.339 362 S C -0.024 174.405 174.600 -0.285 0.000 1.040 362 S CA 0.382 58.360 58.200 -0.370 0.000 0.972 362 S CB -1.115 61.883 63.200 -0.337 0.000 0.855 362 S HN 1.846 nan 8.310 nan 0.000 0.496 363 A N 1.092 123.770 122.820 -0.236 0.000 2.538 363 A HA 0.565 4.885 4.320 0.000 0.000 0.293 363 A C -0.074 177.451 177.584 -0.098 0.000 1.065 363 A CA -0.759 51.182 52.037 -0.160 0.000 0.936 363 A CB 0.923 19.810 19.000 -0.187 0.000 1.481 363 A HN 0.520 nan 8.150 nan 0.000 0.394 364 R N 0.000 120.464 120.500 -0.059 0.000 2.786 364 R HA 0.000 4.340 4.340 0.000 0.000 0.208 364 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 364 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 364 R HN 0.000 nan 8.270 nan 0.000 0.535