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 3n7u_1_L DATA FIRST_RESID 28 DATA SEQUENCE DSKKIVGVFY KANEYATKNP NFLGCVENAL GIRDWLESQG HQYIVTDDKE DATA SEQUENCE GPDCELEKHI PDLHVLISTP FHPAYVTAER IKKAKNLKLL LTAGIGSDHI DATA SEQUENCE DLQAAAAAGL TVAEVTGSNV VSVAEDELMR ILILMRNFVP GYNQVVKGEW DATA SEQUENCE NVAGIAYRAY DLEGKTIGTV GAGRIGKLLL QRLKPFGCNL LYHDRLQMAP DATA SEQUENCE ELEKETGAKF VEDLNEMLPK CDVIVINMPL TEKTRGMFNK ELIGKLKKGV DATA SEQUENCE LIVNNARGAI MERQAVVDAV ESGHIGGYSG DVWDPQPAPK DHPWRYMPNQ DATA SEQUENCE AMTPHTSGTT IDAQLRYAAG TKDMLERYFK GEDFPTENYI VKDGELAPQY DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.226 176.300 -0.124 0.000 2.045 28 D CA 0.000 53.934 54.000 -0.109 0.000 0.868 28 D CB 0.000 40.736 40.800 -0.107 0.000 0.688 29 S N 0.350 115.960 115.700 -0.149 0.000 2.580 29 S HA 0.587 5.057 4.470 -0.000 0.000 0.274 29 S C 0.162 174.762 174.600 -0.001 0.000 1.329 29 S CA -0.122 57.991 58.200 -0.144 0.000 1.036 29 S CB 2.237 65.319 63.200 -0.196 0.000 0.919 29 S HN -0.095 nan 8.310 nan 0.000 0.515 30 K N 0.926 121.481 120.400 0.258 0.000 2.267 30 K HA 0.431 4.751 4.320 -0.000 0.000 0.246 30 K C -0.704 176.065 176.600 0.282 0.000 0.954 30 K CA -0.625 55.733 56.287 0.119 0.000 0.824 30 K CB 1.592 34.156 32.500 0.106 0.000 1.167 30 K HN 0.686 nan 8.250 nan 0.000 0.431 31 K N 3.549 124.262 120.400 0.520 0.000 2.253 31 K HA 0.376 4.696 4.320 -0.000 0.000 0.277 31 K C -0.953 175.810 176.600 0.272 0.000 1.053 31 K CA -0.315 56.173 56.287 0.334 0.000 0.892 31 K CB 0.388 33.027 32.500 0.231 0.000 1.102 31 K HN 0.533 nan 8.250 nan 0.000 0.469 32 I N 4.551 125.256 120.570 0.225 0.000 2.406 32 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 32 I C -0.659 175.589 176.117 0.218 0.000 0.999 32 I CA -1.115 60.324 61.300 0.230 0.000 1.124 32 I CB 2.013 40.165 38.000 0.254 0.000 1.289 32 I HN 0.204 nan 8.210 nan 0.000 0.441 33 V N 4.785 124.769 119.914 0.116 0.000 2.459 33 V HA 0.705 4.825 4.120 -0.000 0.000 0.295 33 V C 0.408 176.476 176.094 -0.044 0.000 1.029 33 V CA -0.507 61.790 62.300 -0.005 0.000 0.874 33 V CB 1.700 33.496 31.823 -0.043 0.000 0.985 33 V HN 0.886 nan 8.190 nan 0.000 0.438 34 G N 2.990 111.661 108.800 -0.215 0.000 2.478 34 G HA2 0.605 4.565 3.960 -0.000 0.000 0.317 34 G HA3 0.605 4.565 3.960 -0.000 0.000 0.317 34 G C -1.216 173.148 174.900 -0.893 0.000 1.259 34 G CA -0.444 44.315 45.100 -0.567 0.000 0.933 34 G HN 0.536 nan 8.290 nan 0.000 0.478 35 V N 2.893 122.227 119.914 -0.967 0.000 2.334 35 V HA 0.603 4.723 4.120 -0.000 0.000 0.281 35 V C -0.671 175.021 176.094 -0.669 0.000 1.016 35 V CA -0.389 61.531 62.300 -0.633 0.000 0.832 35 V CB 0.006 31.669 31.823 -0.266 0.000 0.999 35 V HN 0.622 nan 8.190 nan 0.000 0.439 36 F N 2.789 122.728 119.950 -0.017 0.000 2.640 36 F HA 0.628 5.155 4.527 -0.000 0.000 0.324 36 F C -0.166 175.545 175.800 -0.148 0.000 1.077 36 F CA -1.452 56.488 58.000 -0.100 0.000 0.965 36 F CB 1.520 40.367 39.000 -0.256 0.000 1.351 36 F HN 0.552 nan 8.300 nan 0.000 0.487 37 Y N 0.213 120.565 120.300 0.087 0.000 2.411 37 Y HA 0.403 4.953 4.550 -0.000 0.000 0.333 37 Y C -0.204 175.620 175.900 -0.126 0.000 1.186 37 Y CA -1.377 56.590 58.100 -0.221 0.000 1.381 37 Y CB 0.294 38.709 38.460 -0.075 0.000 1.273 37 Y HN 0.465 nan 8.280 nan 0.000 0.546 38 K N 1.995 122.397 120.400 0.002 0.000 2.205 38 K HA 0.613 4.932 4.320 -0.000 0.000 0.279 38 K C 0.117 176.803 176.600 0.144 0.000 1.027 38 K CA 0.021 56.321 56.287 0.022 0.000 0.932 38 K CB 1.042 33.536 32.500 -0.009 0.000 1.032 38 K HN 0.949 nan 8.250 nan 0.000 0.466 39 A N 3.807 126.696 122.820 0.116 0.000 2.085 39 A HA 0.099 4.419 4.320 -0.000 0.000 0.208 39 A C 0.446 178.180 177.584 0.251 0.000 1.191 39 A CA 0.299 52.489 52.037 0.255 0.000 0.799 39 A CB -0.338 18.764 19.000 0.169 0.000 0.877 39 A HN 1.065 nan 8.150 nan 0.000 0.473 40 N N 0.209 118.975 118.700 0.111 0.000 1.192 40 N HA -0.253 4.487 4.740 -0.000 0.000 0.127 40 N C 1.069 176.588 175.510 0.015 0.000 0.811 40 N CA 1.638 54.718 53.050 0.050 0.000 0.897 40 N CB -1.063 37.448 38.487 0.039 0.000 1.110 40 N HN 0.646 nan 8.380 nan 0.000 0.573 41 E N 1.448 121.589 120.200 -0.099 0.000 2.265 41 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 41 E C 1.651 178.171 176.600 -0.134 0.000 0.996 41 E CA 1.622 57.922 56.400 -0.166 0.000 0.832 41 E CB -0.593 28.940 29.700 -0.279 0.000 0.756 41 E HN 0.780 nan 8.360 nan 0.000 0.491 42 Y N 1.161 121.539 120.300 0.131 0.000 2.439 42 Y HA 0.088 4.638 4.550 -0.000 0.000 0.292 42 Y C 2.768 178.871 175.900 0.340 0.000 1.130 42 Y CA 0.641 58.861 58.100 0.200 0.000 1.254 42 Y CB -0.229 38.374 38.460 0.238 0.000 1.000 42 Y HN 0.162 nan 8.280 nan 0.000 0.554 43 A N 0.044 123.085 122.820 0.368 0.000 1.972 43 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 43 A C 2.157 179.854 177.584 0.188 0.000 1.169 43 A CA 2.102 54.265 52.037 0.210 0.000 0.635 43 A CB -1.091 17.910 19.000 0.000 0.000 0.810 43 A HN 0.462 nan 8.150 nan 0.000 0.446 44 T N -3.417 111.222 114.554 0.143 0.000 3.107 44 T HA 0.202 4.552 4.350 -0.000 0.000 0.249 44 T C 1.275 176.036 174.700 0.103 0.000 1.096 44 T CA 0.531 62.687 62.100 0.093 0.000 1.012 44 T CB 0.019 68.915 68.868 0.046 0.000 0.977 44 T HN 0.486 nan 8.240 nan 0.000 0.527 45 K N 1.152 121.644 120.400 0.154 0.000 2.418 45 K HA 0.166 4.486 4.320 -0.000 0.000 0.195 45 K C 0.416 177.067 176.600 0.085 0.000 1.035 45 K CA 0.108 56.462 56.287 0.111 0.000 1.003 45 K CB 0.148 32.725 32.500 0.128 0.000 0.793 45 K HN 0.244 nan 8.250 nan 0.000 0.494 46 N N -0.028 118.748 118.700 0.128 0.000 2.503 46 N HA 0.123 4.863 4.740 -0.000 0.000 0.287 46 N C -2.683 172.897 175.510 0.117 0.000 1.096 46 N CA -1.454 51.648 53.050 0.087 0.000 0.936 46 N CB 1.962 40.471 38.487 0.037 0.000 1.570 46 N HN -0.281 nan 8.380 nan 0.000 0.504 47 P HA 0.124 nan 4.420 nan 0.000 0.233 47 P C 0.302 177.623 177.300 0.035 0.000 1.167 47 P CA 0.660 63.786 63.100 0.044 0.000 0.770 47 P CB 0.380 32.092 31.700 0.019 0.000 0.837 48 N N -0.834 117.890 118.700 0.040 0.000 2.322 48 N HA 0.030 4.770 4.740 -0.000 0.000 0.194 48 N C -0.041 175.512 175.510 0.072 0.000 1.126 48 N CA -0.112 52.948 53.050 0.016 0.000 0.845 48 N CB -0.269 38.207 38.487 -0.019 0.000 0.976 48 N HN 0.260 nan 8.380 nan 0.000 0.475 49 F N 2.073 121.979 119.950 -0.073 0.000 2.678 49 F HA 0.136 4.663 4.527 -0.000 0.000 0.358 49 F C 0.918 176.656 175.800 -0.103 0.000 1.256 49 F CA -0.416 57.543 58.000 -0.070 0.000 1.278 49 F CB -0.084 38.904 39.000 -0.020 0.000 1.681 49 F HN -0.053 nan 8.300 nan 0.000 0.661 50 L N 2.918 124.112 121.223 -0.047 0.000 2.509 50 L HA 0.081 4.421 4.340 -0.000 0.000 0.222 50 L C 2.397 179.053 176.870 -0.357 0.000 1.123 50 L CA 0.664 55.372 54.840 -0.219 0.000 0.856 50 L CB -0.351 41.587 42.059 -0.202 0.000 0.985 50 L HN 0.591 nan 8.230 nan 0.000 0.456 51 G N -0.063 108.557 108.800 -0.300 0.000 2.813 51 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.209 51 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.209 51 G C 0.759 175.128 174.900 -0.886 0.000 1.150 51 G CA 0.211 45.097 45.100 -0.358 0.000 0.785 51 G HN 0.476 nan 8.290 nan 0.000 0.535 52 C N -1.673 117.065 119.300 -0.938 0.000 2.422 52 C HA 0.596 5.056 4.460 -0.000 0.000 0.364 52 C C 1.944 176.650 174.990 -0.473 0.000 1.251 52 C CA -0.730 57.759 59.018 -0.882 0.000 2.441 52 C CB 1.156 28.407 27.740 -0.816 0.000 2.393 52 C HN 0.045 nan 8.230 nan 0.000 0.606 53 V N 1.745 121.526 119.914 -0.221 0.000 2.282 53 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 53 V C 2.662 178.707 176.094 -0.081 0.000 1.057 53 V CA 2.684 64.970 62.300 -0.023 0.000 1.032 53 V CB -0.908 30.900 31.823 -0.025 0.000 0.645 53 V HN 0.970 nan 8.190 nan 0.000 0.447 54 E N 0.386 120.505 120.200 -0.136 0.000 2.118 54 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 54 E C 1.939 178.474 176.600 -0.108 0.000 0.992 54 E CA 1.480 57.816 56.400 -0.106 0.000 0.804 54 E CB -0.255 29.385 29.700 -0.100 0.000 0.741 54 E HN 0.581 nan 8.360 nan 0.000 0.458 55 N N -0.729 117.859 118.700 -0.186 0.000 2.388 55 N HA 0.155 4.895 4.740 -0.000 0.000 0.176 55 N C 0.105 175.541 175.510 -0.124 0.000 1.062 55 N CA 0.855 53.813 53.050 -0.152 0.000 0.895 55 N CB 0.600 38.962 38.487 -0.209 0.000 1.018 55 N HN 0.102 nan 8.380 nan 0.000 0.456 56 A N 1.116 123.822 122.820 -0.191 0.000 2.745 56 A HA -0.208 4.111 4.320 -0.000 0.000 0.296 56 A C 0.758 178.279 177.584 -0.105 0.000 1.500 56 A CA 0.966 52.932 52.037 -0.118 0.000 0.766 56 A CB -2.286 16.809 19.000 0.158 0.000 1.030 56 A HN 0.452 nan 8.150 nan 0.000 0.489 57 L N -4.585 116.456 121.223 -0.303 0.000 4.950 57 L HA -0.272 4.068 4.340 -0.000 0.000 0.413 57 L C 1.686 178.482 176.870 -0.124 0.000 1.020 57 L CA 0.800 55.505 54.840 -0.225 0.000 1.239 57 L CB -1.865 40.086 42.059 -0.180 0.000 2.004 57 L HN 2.414 nan 8.230 nan 0.000 0.658 58 G N 0.572 109.327 108.800 -0.074 0.000 2.162 58 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 58 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 58 G C 0.513 175.410 174.900 -0.004 0.000 0.976 58 G CA 0.664 45.737 45.100 -0.045 0.000 0.655 58 G HN 0.889 nan 8.290 nan 0.000 0.533 59 I N -2.386 118.207 120.570 0.039 0.000 4.018 59 I HA 0.444 4.614 4.170 -0.000 0.000 0.337 59 I C 1.967 178.167 176.117 0.139 0.000 1.327 59 I CA 0.471 61.812 61.300 0.069 0.000 1.100 59 I CB 0.017 38.018 38.000 0.001 0.000 1.025 59 I HN 0.127 nan 8.210 nan 0.000 0.396 60 R N 1.840 122.456 120.500 0.193 0.000 2.070 60 R HA -0.178 4.162 4.340 -0.000 0.000 0.233 60 R C 1.629 178.041 176.300 0.186 0.000 1.137 60 R CA 2.404 58.662 56.100 0.265 0.000 0.945 60 R CB -0.217 30.298 30.300 0.359 0.000 0.845 60 R HN 0.355 nan 8.270 nan 0.000 0.430 61 D N -0.442 120.060 120.400 0.170 0.000 2.117 61 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 61 D C 1.482 177.884 176.300 0.171 0.000 0.987 61 D CA 1.226 55.311 54.000 0.142 0.000 0.829 61 D CB -0.448 40.422 40.800 0.117 0.000 0.961 61 D HN 0.379 nan 8.370 nan 0.000 0.460 62 W N 1.779 123.088 121.300 0.015 0.000 2.333 62 W HA -0.181 4.479 4.660 -0.000 0.000 0.316 62 W C 2.190 178.735 176.519 0.043 0.000 1.215 62 W CA 1.343 58.702 57.345 0.024 0.000 1.278 62 W CB -0.536 28.936 29.460 0.021 0.000 1.154 62 W HN -0.091 nan 8.180 nan 0.000 0.486 63 L N 0.224 121.525 121.223 0.129 0.000 2.017 63 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 63 L C 2.469 179.319 176.870 -0.034 0.000 1.073 63 L CA 1.983 56.809 54.840 -0.024 0.000 0.745 63 L CB -1.020 41.020 42.059 -0.031 0.000 0.894 63 L HN 0.040 nan 8.230 nan 0.000 0.432 64 E N -0.435 119.775 120.200 0.017 0.000 2.150 64 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 64 E C 2.272 178.832 176.600 -0.066 0.000 0.985 64 E CA 1.206 57.609 56.400 0.005 0.000 0.814 64 E CB -0.010 29.725 29.700 0.057 0.000 0.752 64 E HN 0.346 nan 8.360 nan 0.000 0.466 65 S N 1.049 116.705 115.700 -0.073 0.000 2.442 65 S HA -0.140 4.330 4.470 -0.000 0.000 0.236 65 S C 1.544 176.033 174.600 -0.185 0.000 1.007 65 S CA 0.910 59.051 58.200 -0.098 0.000 0.965 65 S CB -0.042 63.118 63.200 -0.067 0.000 0.773 65 S HN 0.280 nan 8.310 nan 0.000 0.504 66 Q N -0.225 119.405 119.800 -0.284 0.000 2.320 66 Q HA 0.294 4.634 4.340 -0.000 0.000 0.201 66 Q C 1.247 176.896 176.000 -0.584 0.000 0.910 66 Q CA 0.283 55.826 55.803 -0.433 0.000 0.946 66 Q CB 0.454 28.864 28.738 -0.547 0.000 1.062 66 Q HN 0.574 nan 8.270 nan 0.000 0.503 67 G N 0.591 109.149 108.800 -0.403 0.000 2.175 67 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 67 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 67 G C -0.092 174.597 174.900 -0.350 0.000 0.982 67 G CA -0.327 44.556 45.100 -0.363 0.000 0.641 67 G HN 0.394 nan 8.290 nan 0.000 0.527 68 H N 0.449 119.411 119.070 -0.180 0.000 2.511 68 H HA 0.465 5.021 4.556 -0.000 0.000 0.346 68 H C 0.376 175.695 175.328 -0.015 0.000 1.128 68 H CA 0.112 56.087 56.048 -0.122 0.000 1.342 68 H CB 1.134 30.790 29.762 -0.177 0.000 1.470 68 H HN 0.407 nan 8.280 nan 0.000 0.546 69 Q N 1.856 121.761 119.800 0.174 0.000 2.241 69 Q HA 0.149 4.489 4.340 -0.000 0.000 0.254 69 Q C -1.485 174.660 176.000 0.241 0.000 0.917 69 Q CA -0.688 55.209 55.803 0.156 0.000 0.919 69 Q CB 0.824 29.628 28.738 0.110 0.000 1.237 69 Q HN 0.529 nan 8.270 nan 0.000 0.434 70 Y N 5.113 125.446 120.300 0.054 0.000 2.426 70 Y HA 0.422 4.972 4.550 -0.000 0.000 0.325 70 Y C -1.282 174.621 175.900 0.005 0.000 0.989 70 Y CA -1.124 57.008 58.100 0.054 0.000 1.284 70 Y CB 0.578 39.096 38.460 0.097 0.000 1.104 70 Y HN 0.538 nan 8.280 nan 0.000 0.481 71 I N 6.312 126.820 120.570 -0.103 0.000 2.354 71 I HA 0.485 4.655 4.170 -0.000 0.000 0.292 71 I C -0.849 175.054 176.117 -0.356 0.000 0.989 71 I CA -0.963 60.183 61.300 -0.256 0.000 1.188 71 I CB 1.485 39.270 38.000 -0.359 0.000 1.342 71 I HN 0.193 nan 8.210 nan 0.000 0.457 72 V N 4.908 124.617 119.914 -0.342 0.000 2.531 72 V HA 0.607 4.727 4.120 -0.000 0.000 0.301 72 V C -0.229 175.751 176.094 -0.190 0.000 1.034 72 V CA -0.356 61.738 62.300 -0.343 0.000 0.865 72 V CB 2.034 33.633 31.823 -0.373 0.000 0.995 72 V HN 0.814 nan 8.190 nan 0.000 0.424 73 T N 1.388 115.834 114.554 -0.181 0.000 2.853 73 T HA 0.331 4.681 4.350 -0.000 0.000 0.311 73 T C -0.233 174.424 174.700 -0.071 0.000 1.307 73 T CA -0.118 61.929 62.100 -0.088 0.000 1.019 73 T CB 2.004 70.851 68.868 -0.035 0.000 1.264 73 T HN 0.874 nan 8.240 nan 0.000 0.497 74 D N 0.945 121.338 120.400 -0.011 0.000 2.369 74 D HA 0.079 4.719 4.640 -0.000 0.000 0.211 74 D C 0.073 176.488 176.300 0.191 0.000 1.077 74 D CA -0.139 53.900 54.000 0.066 0.000 0.842 74 D CB 0.243 40.979 40.800 -0.106 0.000 0.947 74 D HN 0.418 nan 8.370 nan 0.000 0.509 75 D N 1.583 122.036 120.400 0.087 0.000 2.453 75 D HA 0.047 4.686 4.640 -0.000 0.000 0.223 75 D C 0.984 177.316 176.300 0.053 0.000 1.183 75 D CA -0.118 53.927 54.000 0.075 0.000 0.933 75 D CB 0.496 41.322 40.800 0.044 0.000 1.038 75 D HN 0.280 nan 8.370 nan 0.000 0.513 76 K N 1.482 121.914 120.400 0.053 0.000 2.402 76 K HA 0.193 4.513 4.320 -0.000 0.000 0.203 76 K C -0.137 176.471 176.600 0.013 0.000 1.077 76 K CA -0.348 55.942 56.287 0.005 0.000 1.051 76 K CB 0.642 33.102 32.500 -0.066 0.000 0.907 76 K HN 0.009 nan 8.250 nan 0.000 0.554 77 E N 1.758 121.976 120.200 0.030 0.000 2.156 77 E HA 0.399 4.749 4.350 -0.000 0.000 0.279 77 E C 0.362 176.981 176.600 0.032 0.000 0.965 77 E CA 0.263 56.689 56.400 0.043 0.000 0.789 77 E CB 1.510 31.238 29.700 0.047 0.000 1.098 77 E HN 0.463 nan 8.360 nan 0.000 0.397 78 G N 4.661 113.480 108.800 0.031 0.000 2.728 78 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.294 78 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.294 78 G C -1.945 172.961 174.900 0.010 0.000 1.342 78 G CA -0.304 44.807 45.100 0.018 0.000 0.866 78 G HN 0.442 nan 8.290 nan 0.000 0.534 79 P HA 0.168 nan 4.420 nan 0.000 0.231 79 P C 0.401 177.694 177.300 -0.012 0.000 1.168 79 P CA 1.360 64.458 63.100 -0.004 0.000 0.779 79 P CB 0.243 31.940 31.700 -0.005 0.000 0.844 80 D N -0.423 119.971 120.400 -0.009 0.000 2.395 80 D HA 0.043 4.683 4.640 -0.000 0.000 0.213 80 D C 0.832 177.123 176.300 -0.016 0.000 1.110 80 D CA -0.018 53.973 54.000 -0.015 0.000 0.835 80 D CB -0.366 40.429 40.800 -0.009 0.000 0.965 80 D HN 0.270 nan 8.370 nan 0.000 0.505 81 C N 0.027 119.321 119.300 -0.010 0.000 2.580 81 C HA 0.315 4.774 4.460 -0.000 0.000 0.371 81 C C 2.278 177.256 174.990 -0.020 0.000 1.308 81 C CA -0.686 58.330 59.018 -0.003 0.000 2.428 81 C CB 1.864 29.611 27.740 0.011 0.000 2.529 81 C HN 0.070 nan 8.230 nan 0.000 0.657 82 E N 0.328 120.526 120.200 -0.003 0.000 2.070 82 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 82 E C 1.659 178.278 176.600 0.032 0.000 1.004 82 E CA 1.946 58.350 56.400 0.007 0.000 0.805 82 E CB -0.383 29.348 29.700 0.052 0.000 0.744 82 E HN 0.763 nan 8.360 nan 0.000 0.451 83 L N 0.953 122.201 121.223 0.041 0.000 1.989 83 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 83 L C 2.233 179.113 176.870 0.016 0.000 1.071 83 L CA 2.444 57.315 54.840 0.051 0.000 0.749 83 L CB -0.880 41.187 42.059 0.013 0.000 0.890 83 L HN 0.151 nan 8.230 nan 0.000 0.431 84 E N 0.058 120.247 120.200 -0.018 0.000 2.118 84 E HA -0.301 4.048 4.350 -0.000 0.000 0.195 84 E C 2.278 178.826 176.600 -0.088 0.000 0.992 84 E CA 1.727 58.107 56.400 -0.034 0.000 0.804 84 E CB -0.307 29.377 29.700 -0.027 0.000 0.741 84 E HN 0.524 nan 8.360 nan 0.000 0.458 85 K N -0.752 119.542 120.400 -0.177 0.000 2.160 85 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 85 K C 1.254 177.618 176.600 -0.393 0.000 1.047 85 K CA 1.704 57.794 56.287 -0.329 0.000 0.930 85 K CB -0.110 32.105 32.500 -0.474 0.000 0.720 85 K HN 0.378 nan 8.250 nan 0.000 0.450 86 H N -0.630 118.431 119.070 -0.015 0.000 2.586 86 H HA 0.088 4.644 4.556 -0.000 0.000 0.273 86 H C 1.877 177.191 175.328 -0.024 0.000 0.997 86 H CA 0.055 56.092 56.048 -0.018 0.000 1.177 86 H CB 0.455 30.207 29.762 -0.016 0.000 1.471 86 H HN 0.149 nan 8.280 nan 0.000 0.538 87 I N 1.737 122.338 120.570 0.051 0.000 2.194 87 I HA -0.176 3.994 4.170 -0.000 0.000 0.246 87 I C -0.586 175.536 176.117 0.007 0.000 1.093 87 I CA 1.386 62.700 61.300 0.024 0.000 1.355 87 I CB -1.717 36.288 38.000 0.008 0.000 1.046 87 I HN 0.163 nan 8.210 nan 0.000 0.413 88 P HA -0.109 nan 4.420 nan 0.000 0.222 88 P C 0.557 177.843 177.300 -0.024 0.000 1.147 88 P CA 1.429 64.522 63.100 -0.011 0.000 0.790 88 P CB -0.087 31.606 31.700 -0.011 0.000 0.780 89 D N -2.252 118.132 120.400 -0.026 0.000 2.525 89 D HA 0.028 4.668 4.640 -0.000 0.000 0.231 89 D C 0.464 176.650 176.300 -0.190 0.000 1.216 89 D CA -0.189 53.759 54.000 -0.086 0.000 0.813 89 D CB -0.956 39.819 40.800 -0.041 0.000 1.108 89 D HN 0.046 nan 8.370 nan 0.000 0.524 90 L N -0.268 120.895 121.223 -0.100 0.000 2.483 90 L HA 0.338 4.678 4.340 -0.000 0.000 0.276 90 L C 0.750 177.513 176.870 -0.179 0.000 1.213 90 L CA 0.314 55.096 54.840 -0.097 0.000 0.843 90 L CB 0.131 42.196 42.059 0.009 0.000 1.107 90 L HN -0.220 nan 8.230 nan 0.000 0.487 91 H N 1.176 120.301 119.070 0.092 0.000 2.476 91 H HA 0.386 4.942 4.556 -0.000 0.000 0.292 91 H C -0.248 175.133 175.328 0.088 0.000 1.019 91 H CA 0.617 56.731 56.048 0.111 0.000 1.330 91 H CB 0.506 30.366 29.762 0.163 0.000 1.451 91 H HN 0.417 nan 8.280 nan 0.000 0.535 92 V N 1.758 121.783 119.914 0.184 0.000 2.588 92 V HA 0.231 4.351 4.120 -0.000 0.000 0.304 92 V C -1.160 174.967 176.094 0.054 0.000 1.042 92 V CA -0.932 61.413 62.300 0.075 0.000 0.877 92 V CB 2.444 34.297 31.823 0.049 0.000 0.996 92 V HN 0.051 nan 8.190 nan 0.000 0.425 93 L N 6.358 127.590 121.223 0.015 0.000 2.298 93 L HA 0.658 4.998 4.340 -0.000 0.000 0.284 93 L C -0.629 176.239 176.870 -0.003 0.000 1.013 93 L CA 0.088 54.931 54.840 0.004 0.000 0.824 93 L CB 1.130 43.186 42.059 -0.005 0.000 1.221 93 L HN 0.574 nan 8.230 nan 0.000 0.418 94 I N 4.929 125.500 120.570 0.002 0.000 2.307 94 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 94 I C 0.287 176.370 176.117 -0.056 0.000 1.021 94 I CA -0.142 61.180 61.300 0.037 0.000 1.224 94 I CB 1.146 39.259 38.000 0.187 0.000 1.376 94 I HN 0.771 nan 8.210 nan 0.000 0.470 95 S N 3.502 119.205 115.700 0.005 0.000 2.767 95 S HA 0.728 5.198 4.470 -0.000 0.000 0.300 95 S C -0.289 174.310 174.600 -0.002 0.000 1.123 95 S CA -0.679 57.496 58.200 -0.042 0.000 0.992 95 S CB 2.307 65.543 63.200 0.061 0.000 1.138 95 S HN 0.526 nan 8.310 nan 0.000 0.550 96 T N 0.723 115.201 114.554 -0.126 0.000 3.105 96 T HA 0.515 4.865 4.350 -0.000 0.000 0.321 96 T C -2.549 171.863 174.700 -0.481 0.000 1.135 96 T CA -1.379 60.622 62.100 -0.164 0.000 1.053 96 T CB 1.468 70.464 68.868 0.213 0.000 1.133 96 T HN 0.323 nan 8.240 nan 0.000 0.463 97 P HA 0.012 nan 4.420 nan 0.000 0.218 97 P C 0.934 177.833 177.300 -0.668 0.000 1.148 97 P CA 0.960 63.568 63.100 -0.820 0.000 0.822 97 P CB -0.044 31.192 31.700 -0.773 0.000 0.784 98 F N -2.857 116.967 119.950 -0.209 0.000 2.451 98 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 98 F C 1.145 177.015 175.800 0.117 0.000 1.101 98 F CA 0.924 58.809 58.000 -0.191 0.000 1.436 98 F CB -1.124 37.780 39.000 -0.160 0.000 1.074 98 F HN 0.049 nan 8.300 nan 0.000 0.553 99 H N 0.032 119.138 119.070 0.060 0.000 2.661 99 H HA 0.278 4.834 4.556 -0.000 0.000 0.243 99 H C -3.003 172.227 175.328 -0.164 0.000 1.410 99 H CA -2.225 53.841 56.048 0.030 0.000 1.509 99 H CB 0.825 30.698 29.762 0.183 0.000 1.761 99 H HN -0.248 nan 8.280 nan 0.000 0.576 100 P HA 0.286 nan 4.420 nan 0.000 0.293 100 P C -0.284 176.567 177.300 -0.749 0.000 1.313 100 P CA -0.456 62.230 63.100 -0.690 0.000 0.787 100 P CB 1.384 32.614 31.700 -0.782 0.000 0.910 101 A N 4.751 127.302 122.820 -0.448 0.000 2.515 101 A HA 0.109 4.429 4.320 -0.000 0.000 0.263 101 A C -0.466 176.995 177.584 -0.204 0.000 1.096 101 A CA 0.089 51.964 52.037 -0.270 0.000 0.769 101 A CB -0.829 18.103 19.000 -0.114 0.000 1.040 101 A HN 0.431 nan 8.150 nan 0.000 0.505 102 Y N 2.383 122.698 120.300 0.025 0.000 2.585 102 Y HA 0.289 4.839 4.550 -0.000 0.000 0.354 102 Y C 0.437 176.354 175.900 0.028 0.000 1.024 102 Y CA -0.268 57.860 58.100 0.047 0.000 1.321 102 Y CB 0.733 39.205 38.460 0.021 0.000 1.151 102 Y HN 0.349 nan 8.280 nan 0.000 0.525 103 V N 4.622 124.631 119.914 0.157 0.000 2.162 103 V HA 0.061 4.181 4.120 -0.000 0.000 0.255 103 V C 0.586 176.718 176.094 0.063 0.000 1.304 103 V CA -0.676 61.669 62.300 0.075 0.000 1.198 103 V CB -1.039 30.799 31.823 0.024 0.000 1.333 103 V HN 0.877 nan 8.190 nan 0.000 0.493 104 T N 0.865 115.461 114.554 0.071 0.000 2.795 104 T HA 0.283 4.633 4.350 -0.000 0.000 0.314 104 T C 1.603 176.317 174.700 0.022 0.000 1.069 104 T CA 0.185 62.311 62.100 0.043 0.000 1.071 104 T CB 1.246 70.135 68.868 0.035 0.000 0.988 104 T HN 0.526 nan 8.240 nan 0.000 0.543 105 A N 0.202 123.030 122.820 0.013 0.000 1.933 105 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 105 A C 2.327 179.915 177.584 0.007 0.000 1.175 105 A CA 1.914 53.956 52.037 0.008 0.000 0.628 105 A CB -1.114 17.889 19.000 0.005 0.000 0.814 105 A HN 1.067 nan 8.150 nan 0.000 0.444 106 E N -0.242 119.962 120.200 0.008 0.000 2.077 106 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 106 E C 2.194 178.799 176.600 0.008 0.000 0.989 106 E CA 1.283 57.687 56.400 0.007 0.000 0.800 106 E CB -0.144 29.560 29.700 0.006 0.000 0.746 106 E HN 0.603 nan 8.360 nan 0.000 0.452 107 R N 0.096 120.604 120.500 0.014 0.000 2.075 107 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 107 R C 2.534 178.840 176.300 0.010 0.000 1.126 107 R CA 1.474 57.583 56.100 0.014 0.000 0.963 107 R CB -0.284 30.029 30.300 0.023 0.000 0.858 107 R HN 0.290 nan 8.270 nan 0.000 0.435 108 I N 1.101 121.676 120.570 0.009 0.000 2.118 108 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 108 I C 2.611 178.731 176.117 0.006 0.000 1.070 108 I CA 1.488 62.792 61.300 0.006 0.000 1.327 108 I CB -0.367 37.636 38.000 0.004 0.000 1.034 108 I HN 0.170 nan 8.210 nan 0.000 0.405 109 K N 1.429 121.833 120.400 0.005 0.000 2.074 109 K HA -0.287 4.033 4.320 -0.000 0.000 0.209 109 K C 2.211 178.814 176.600 0.004 0.000 1.048 109 K CA 1.915 58.205 56.287 0.005 0.000 0.926 109 K CB -0.124 32.379 32.500 0.004 0.000 0.713 109 K HN 0.178 nan 8.250 nan 0.000 0.444 110 K N -0.028 120.374 120.400 0.003 0.000 2.228 110 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 110 K C 0.081 176.681 176.600 -0.000 0.000 1.051 110 K CA 0.662 56.949 56.287 0.001 0.000 0.960 110 K CB 0.064 32.564 32.500 -0.000 0.000 0.743 110 K HN 0.185 nan 8.250 nan 0.000 0.458 111 A N 2.051 124.872 122.820 0.001 0.000 2.915 111 A HA 0.107 4.427 4.320 -0.000 0.000 0.292 111 A C 0.470 178.053 177.584 -0.002 0.000 1.632 111 A CA -0.238 51.798 52.037 -0.001 0.000 1.337 111 A CB 0.087 19.088 19.000 0.003 0.000 1.111 111 A HN 0.113 nan 8.150 nan 0.000 0.569 112 K N 0.823 121.219 120.400 -0.007 0.000 2.288 112 K HA -0.025 4.295 4.320 -0.000 0.000 0.201 112 K C 0.447 177.048 176.600 0.003 0.000 1.048 112 K CA 0.759 57.046 56.287 0.000 0.000 0.956 112 K CB 0.124 32.625 32.500 0.001 0.000 0.746 112 K HN 0.583 nan 8.250 nan 0.000 0.461 113 N N 0.627 119.311 118.700 -0.026 0.000 2.236 113 N HA -0.010 4.730 4.740 -0.000 0.000 0.196 113 N C 0.140 175.659 175.510 0.016 0.000 1.114 113 N CA -0.165 52.866 53.050 -0.031 0.000 0.859 113 N CB 0.140 38.503 38.487 -0.207 0.000 0.982 113 N HN 0.061 nan 8.380 nan 0.000 0.493 114 L N 1.356 122.588 121.223 0.015 0.000 2.462 114 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 114 L C 0.938 177.856 176.870 0.079 0.000 1.166 114 L CA 0.663 55.529 54.840 0.044 0.000 0.880 114 L CB 0.673 42.745 42.059 0.022 0.000 1.142 114 L HN -0.175 nan 8.230 nan 0.000 0.473 115 K N 4.453 124.922 120.400 0.115 0.000 2.424 115 K HA 0.332 4.652 4.320 -0.000 0.000 0.198 115 K C -0.671 175.968 176.600 0.064 0.000 1.190 115 K CA 0.131 56.491 56.287 0.122 0.000 0.935 115 K CB 0.334 32.970 32.500 0.227 0.000 1.087 115 K HN 0.513 nan 8.250 nan 0.000 0.524 116 L N 1.214 122.441 121.223 0.006 0.000 2.409 116 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 116 L C -1.691 175.143 176.870 -0.059 0.000 0.980 116 L CA -0.570 54.220 54.840 -0.083 0.000 0.826 116 L CB 1.575 43.406 42.059 -0.380 0.000 1.268 116 L HN -0.090 nan 8.230 nan 0.000 0.407 117 L N 6.262 127.465 121.223 -0.033 0.000 2.316 117 L HA 0.542 4.881 4.340 -0.000 0.000 0.280 117 L C -0.963 175.884 176.870 -0.038 0.000 1.006 117 L CA -0.304 54.517 54.840 -0.033 0.000 0.836 117 L CB 1.480 43.517 42.059 -0.037 0.000 1.221 117 L HN 0.501 nan 8.230 nan 0.000 0.418 118 L N 2.957 124.151 121.223 -0.047 0.000 2.296 118 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 118 L C -0.050 176.811 176.870 -0.016 0.000 1.023 118 L CA -0.413 54.388 54.840 -0.064 0.000 0.812 118 L CB 1.954 43.948 42.059 -0.107 0.000 1.223 118 L HN 0.484 nan 8.230 nan 0.000 0.421 119 T N 2.481 117.021 114.554 -0.024 0.000 2.733 119 T HA 0.365 4.715 4.350 -0.000 0.000 0.294 119 T C 0.395 175.067 174.700 -0.046 0.000 0.956 119 T CA -0.410 61.695 62.100 0.009 0.000 0.987 119 T CB 1.242 70.131 68.868 0.035 0.000 0.920 119 T HN 0.642 nan 8.240 nan 0.000 0.470 120 A N 3.600 126.391 122.820 -0.050 0.000 2.915 120 A HA 0.690 5.010 4.320 -0.000 0.000 0.292 120 A C 1.073 178.322 177.584 -0.559 0.000 1.632 120 A CA 0.209 52.163 52.037 -0.138 0.000 1.337 120 A CB -0.986 18.039 19.000 0.043 0.000 1.111 120 A HN 1.232 nan 8.150 nan 0.000 0.569 121 G N 0.398 108.976 108.800 -0.370 0.000 2.302 121 G HA2 0.239 4.199 3.960 -0.000 0.000 0.264 121 G HA3 0.239 4.199 3.960 -0.000 0.000 0.264 121 G C -1.142 173.711 174.900 -0.078 0.000 1.335 121 G CA -0.476 44.450 45.100 -0.289 0.000 0.982 121 G HN 0.725 nan 8.290 nan 0.000 0.473 122 I N 0.877 121.428 120.570 -0.031 0.000 2.647 122 I HA 0.630 4.800 4.170 -0.000 0.000 0.295 122 I C 0.419 176.575 176.117 0.065 0.000 1.078 122 I CA 0.026 61.351 61.300 0.042 0.000 1.048 122 I CB 2.078 40.128 38.000 0.083 0.000 1.239 122 I HN 2.134 nan 8.210 nan 0.000 0.421 123 G N 3.108 111.984 108.800 0.126 0.000 3.439 123 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 123 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 123 G C -0.247 174.760 174.900 0.180 0.000 1.075 123 G CA -0.491 44.727 45.100 0.196 0.000 0.926 123 G HN 0.595 nan 8.290 nan 0.000 0.485 124 S N 1.213 116.973 115.700 0.101 0.000 2.601 124 S HA 0.152 4.622 4.470 -0.000 0.000 0.244 124 S C 1.684 176.138 174.600 -0.243 0.000 1.001 124 S CA 0.306 58.401 58.200 -0.175 0.000 0.984 124 S CB 0.193 63.242 63.200 -0.252 0.000 0.842 124 S HN 0.866 nan 8.310 nan 0.000 0.474 125 D N 1.785 122.211 120.400 0.043 0.000 2.309 125 D HA -0.211 4.429 4.640 -0.000 0.000 0.212 125 D C 1.387 177.747 176.300 0.100 0.000 0.968 125 D CA 0.836 54.903 54.000 0.111 0.000 0.882 125 D CB -0.490 40.445 40.800 0.226 0.000 0.918 125 D HN 0.679 nan 8.370 nan 0.000 0.503 126 H N 0.527 119.656 119.070 0.099 0.000 2.559 126 H HA 0.165 4.721 4.556 -0.000 0.000 0.273 126 H C 0.744 176.144 175.328 0.120 0.000 1.000 126 H CA -0.040 56.093 56.048 0.141 0.000 1.195 126 H CB -0.304 29.426 29.762 -0.054 0.000 1.368 126 H HN 0.178 nan 8.280 nan 0.000 0.592 127 I N 2.079 122.503 120.570 -0.244 0.000 2.437 127 I HA 0.007 4.177 4.170 -0.000 0.000 0.298 127 I C 0.358 176.439 176.117 -0.059 0.000 0.984 127 I CA -0.771 60.441 61.300 -0.147 0.000 1.214 127 I CB 1.749 39.599 38.000 -0.250 0.000 1.365 127 I HN -0.070 nan 8.210 nan 0.000 0.469 128 D N 6.344 126.733 120.400 -0.017 0.000 2.398 128 D HA 0.067 4.707 4.640 -0.000 0.000 0.250 128 D C 0.926 177.208 176.300 -0.031 0.000 1.287 128 D CA 0.369 54.363 54.000 -0.009 0.000 0.992 128 D CB 0.631 41.434 40.800 0.005 0.000 1.071 128 D HN 0.459 nan 8.370 nan 0.000 0.514 129 L N 2.531 123.728 121.223 -0.045 0.000 2.109 129 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 129 L C 2.440 179.287 176.870 -0.039 0.000 1.086 129 L CA 0.597 55.394 54.840 -0.072 0.000 0.760 129 L CB -0.201 41.788 42.059 -0.117 0.000 0.910 129 L HN 0.349 nan 8.230 nan 0.000 0.437 130 Q N -0.002 119.790 119.800 -0.013 0.000 2.084 130 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 130 Q C 2.428 178.425 176.000 -0.006 0.000 0.978 130 Q CA 1.798 57.600 55.803 -0.003 0.000 0.844 130 Q CB -0.352 28.392 28.738 0.009 0.000 0.898 130 Q HN 0.524 nan 8.270 nan 0.000 0.426 131 A N 0.989 123.805 122.820 -0.006 0.000 1.933 131 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 131 A C 2.330 179.909 177.584 -0.008 0.000 1.175 131 A CA 1.807 53.841 52.037 -0.005 0.000 0.628 131 A CB -0.609 18.390 19.000 -0.002 0.000 0.814 131 A HN 0.364 nan 8.150 nan 0.000 0.444 132 A N -0.062 122.748 122.820 -0.017 0.000 1.902 132 A HA 0.152 4.471 4.320 -0.000 0.000 0.217 132 A C 2.508 180.084 177.584 -0.013 0.000 1.181 132 A CA 2.098 54.124 52.037 -0.018 0.000 0.623 132 A CB -1.017 17.963 19.000 -0.034 0.000 0.818 132 A HN 1.039 nan 8.150 nan 0.000 0.443 133 A N -0.152 122.658 122.820 -0.017 0.000 1.877 133 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 133 A C 2.495 180.075 177.584 -0.008 0.000 1.186 133 A CA 2.143 54.172 52.037 -0.013 0.000 0.620 133 A CB -1.004 17.988 19.000 -0.013 0.000 0.822 133 A HN 1.083 nan 8.150 nan 0.000 0.443 134 A N -0.471 122.346 122.820 -0.005 0.000 1.969 134 A HA 0.275 4.595 4.320 -0.000 0.000 0.218 134 A C 2.256 179.840 177.584 -0.000 0.000 1.169 134 A CA 1.659 53.695 52.037 -0.002 0.000 0.635 134 A CB -0.704 18.296 19.000 -0.000 0.000 0.810 134 A HN 1.077 nan 8.150 nan 0.000 0.445 135 A N -1.588 121.232 122.820 0.001 0.000 2.238 135 A HA 0.407 4.727 4.320 -0.000 0.000 0.208 135 A C 1.731 179.319 177.584 0.007 0.000 1.177 135 A CA 1.132 53.172 52.037 0.005 0.000 0.804 135 A CB -1.001 18.002 19.000 0.006 0.000 0.823 135 A HN 1.849 nan 8.150 nan 0.000 0.482 136 G N -0.959 107.843 108.800 0.003 0.000 2.147 136 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 136 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 136 G C 0.077 174.984 174.900 0.012 0.000 1.005 136 G CA 0.376 45.478 45.100 0.004 0.000 0.713 136 G HN 0.444 nan 8.290 nan 0.000 0.515 137 L N 0.234 121.463 121.223 0.011 0.000 2.439 137 L HA 0.482 4.822 4.340 -0.000 0.000 0.261 137 L C 0.849 177.733 176.870 0.023 0.000 1.153 137 L CA -0.241 54.611 54.840 0.020 0.000 0.808 137 L CB 0.983 43.048 42.059 0.011 0.000 1.126 137 L HN 0.109 nan 8.230 nan 0.000 0.460 138 T N 1.779 116.359 114.554 0.043 0.000 2.767 138 T HA 0.452 4.802 4.350 -0.000 0.000 0.288 138 T C -0.268 174.481 174.700 0.082 0.000 0.963 138 T CA -0.352 61.797 62.100 0.081 0.000 1.019 138 T CB 1.318 70.251 68.868 0.109 0.000 0.923 138 T HN 0.219 nan 8.240 nan 0.000 0.468 139 V N 2.658 122.630 119.914 0.096 0.000 2.448 139 V HA 0.899 5.019 4.120 -0.000 0.000 0.295 139 V C -0.037 176.110 176.094 0.089 0.000 1.025 139 V CA -0.772 61.553 62.300 0.041 0.000 0.859 139 V CB 1.296 33.090 31.823 -0.048 0.000 0.988 139 V HN 1.084 nan 8.190 nan 0.000 0.431 140 A N 4.318 127.160 122.820 0.037 0.000 2.587 140 A HA 0.981 5.301 4.320 -0.000 0.000 0.293 140 A C -0.876 176.661 177.584 -0.078 0.000 1.087 140 A CA -0.627 51.405 52.037 -0.008 0.000 0.692 140 A CB 2.135 21.137 19.000 0.002 0.000 1.291 140 A HN 0.955 nan 8.150 nan 0.000 0.407 141 E N -0.425 119.722 120.200 -0.088 0.000 2.449 141 E HA 0.579 4.929 4.350 -0.000 0.000 0.278 141 E C -1.468 175.085 176.600 -0.078 0.000 0.992 141 E CA -1.029 55.329 56.400 -0.070 0.000 0.807 141 E CB 1.643 31.332 29.700 -0.018 0.000 1.350 141 E HN 0.334 nan 8.360 nan 0.000 0.462 142 V N 1.942 121.826 119.914 -0.050 0.000 2.149 142 V HA 0.104 4.224 4.120 -0.000 0.000 0.245 142 V C 0.071 176.173 176.094 0.013 0.000 1.349 142 V CA -0.253 62.030 62.300 -0.028 0.000 1.289 142 V CB -0.597 31.236 31.823 0.016 0.000 1.401 142 V HN 0.651 nan 8.190 nan 0.000 0.501 143 T N 3.471 118.029 114.554 0.006 0.000 2.866 143 T HA 0.316 4.666 4.350 -0.000 0.000 0.293 143 T C 1.453 176.173 174.700 0.033 0.000 1.005 143 T CA 1.362 63.481 62.100 0.031 0.000 1.162 143 T CB 0.514 69.402 68.868 0.034 0.000 0.968 143 T HN 1.203 nan 8.240 nan 0.000 0.530 144 G N 2.655 111.482 108.800 0.045 0.000 2.205 144 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.261 144 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.261 144 G C 1.360 176.290 174.900 0.051 0.000 0.980 144 G CA 0.950 46.074 45.100 0.041 0.000 0.632 144 G HN 0.992 nan 8.290 nan 0.000 0.533 145 S N 0.851 116.594 115.700 0.073 0.000 2.382 145 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 145 S C 1.482 176.153 174.600 0.119 0.000 1.027 145 S CA 1.820 60.079 58.200 0.099 0.000 0.991 145 S CB -0.231 63.069 63.200 0.167 0.000 0.823 145 S HN 1.391 nan 8.310 nan 0.000 0.469 146 N N 0.671 119.455 118.700 0.140 0.000 2.305 146 N HA 0.129 4.869 4.740 -0.000 0.000 0.248 146 N C 0.903 176.475 175.510 0.103 0.000 1.290 146 N CA 0.290 53.426 53.050 0.143 0.000 0.873 146 N CB -0.061 38.572 38.487 0.244 0.000 1.261 146 N HN 0.407 nan 8.380 nan 0.000 0.504 147 V N -2.782 117.177 119.914 0.074 0.000 2.548 147 V HA -0.043 4.077 4.120 -0.000 0.000 0.249 147 V C 1.762 177.876 176.094 0.034 0.000 1.055 147 V CA 0.919 63.251 62.300 0.053 0.000 1.065 147 V CB -0.767 31.079 31.823 0.039 0.000 0.681 147 V HN 0.061 nan 8.190 nan 0.000 0.462 148 V N 1.595 121.525 119.914 0.027 0.000 2.307 148 V HA -0.199 3.920 4.120 -0.000 0.000 0.245 148 V C 2.911 179.012 176.094 0.011 0.000 1.045 148 V CA 2.424 64.732 62.300 0.012 0.000 1.024 148 V CB -0.808 31.018 31.823 0.006 0.000 0.651 148 V HN 0.669 nan 8.190 nan 0.000 0.449 149 S N 0.261 115.974 115.700 0.022 0.000 2.370 149 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 149 S C 1.982 176.596 174.600 0.022 0.000 1.033 149 S CA 1.672 59.883 58.200 0.018 0.000 1.011 149 S CB -0.446 62.775 63.200 0.036 0.000 0.852 149 S HN 0.404 nan 8.310 nan 0.000 0.457 150 V N 2.120 122.060 119.914 0.043 0.000 2.379 150 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 150 V C 2.750 178.843 176.094 -0.001 0.000 1.044 150 V CA 1.466 63.788 62.300 0.037 0.000 1.036 150 V CB -1.367 30.494 31.823 0.063 0.000 0.664 150 V HN 0.554 nan 8.190 nan 0.000 0.453 151 A N -0.007 122.810 122.820 -0.005 0.000 1.908 151 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 151 A C 2.173 179.735 177.584 -0.038 0.000 1.181 151 A CA 1.989 54.012 52.037 -0.024 0.000 0.627 151 A CB -0.455 18.535 19.000 -0.018 0.000 0.818 151 A HN 0.645 nan 8.150 nan 0.000 0.445 152 E N -0.611 119.571 120.200 -0.029 0.000 2.051 152 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 152 E C 1.718 178.284 176.600 -0.057 0.000 0.991 152 E CA 1.353 57.730 56.400 -0.038 0.000 0.799 152 E CB -0.247 29.435 29.700 -0.030 0.000 0.748 152 E HN 0.711 nan 8.360 nan 0.000 0.449 153 D N 0.435 120.805 120.400 -0.049 0.000 2.144 153 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 153 D C 1.750 177.998 176.300 -0.086 0.000 0.984 153 D CA 0.997 54.960 54.000 -0.061 0.000 0.834 153 D CB 0.200 40.980 40.800 -0.033 0.000 0.955 153 D HN 0.152 nan 8.370 nan 0.000 0.465 154 E N -0.180 119.969 120.200 -0.085 0.000 2.051 154 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 154 E C 2.195 178.713 176.600 -0.136 0.000 0.991 154 E CA 0.459 56.791 56.400 -0.113 0.000 0.799 154 E CB -0.112 29.529 29.700 -0.099 0.000 0.748 154 E HN 0.298 nan 8.360 nan 0.000 0.449 155 L N 0.908 122.051 121.223 -0.132 0.000 2.042 155 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 155 L C 2.572 179.334 176.870 -0.179 0.000 1.076 155 L CA 1.222 55.955 54.840 -0.178 0.000 0.749 155 L CB -0.152 41.803 42.059 -0.172 0.000 0.893 155 L HN 0.243 nan 8.230 nan 0.000 0.432 156 M N -0.616 118.900 119.600 -0.140 0.000 2.082 156 M HA -0.329 4.151 4.480 -0.000 0.000 0.258 156 M C 2.373 178.580 176.300 -0.155 0.000 1.069 156 M CA 2.033 57.248 55.300 -0.143 0.000 1.102 156 M CB -0.161 32.358 32.600 -0.135 0.000 1.336 156 M HN 0.180 nan 8.290 nan 0.000 0.404 157 R N 0.018 120.427 120.500 -0.151 0.000 2.090 157 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 157 R C 2.103 178.313 176.300 -0.149 0.000 1.110 157 R CA 1.538 57.547 56.100 -0.151 0.000 0.973 157 R CB -0.435 29.765 30.300 -0.166 0.000 0.869 157 R HN 0.466 nan 8.270 nan 0.000 0.440 158 I N 0.965 121.437 120.570 -0.163 0.000 2.118 158 I HA -0.369 3.801 4.170 -0.000 0.000 0.241 158 I C 2.182 178.218 176.117 -0.135 0.000 1.070 158 I CA 1.605 62.808 61.300 -0.161 0.000 1.327 158 I CB -0.367 37.517 38.000 -0.194 0.000 1.034 158 I HN 0.160 nan 8.210 nan 0.000 0.405 159 L N 0.259 121.395 121.223 -0.144 0.000 1.994 159 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 159 L C 2.561 179.400 176.870 -0.052 0.000 1.071 159 L CA 1.528 56.309 54.840 -0.097 0.000 0.745 159 L CB -0.521 41.480 42.059 -0.096 0.000 0.892 159 L HN 0.187 nan 8.230 nan 0.000 0.431 160 I N -0.231 120.296 120.570 -0.072 0.000 2.145 160 I HA -0.382 3.787 4.170 -0.000 0.000 0.244 160 I C 2.439 178.573 176.117 0.030 0.000 1.075 160 I CA 1.658 62.953 61.300 -0.007 0.000 1.332 160 I CB -0.301 37.669 38.000 -0.049 0.000 1.033 160 I HN 0.244 nan 8.210 nan 0.000 0.410 161 L N -1.045 120.163 121.223 -0.026 0.000 2.023 161 L HA -0.204 4.136 4.340 -0.000 0.000 0.205 161 L C 2.589 179.451 176.870 -0.014 0.000 1.073 161 L CA 1.032 55.856 54.840 -0.027 0.000 0.745 161 L CB -0.492 41.526 42.059 -0.068 0.000 0.900 161 L HN 0.268 nan 8.230 nan 0.000 0.435 162 M N 0.262 119.849 119.600 -0.021 0.000 2.108 162 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 162 M C 2.083 178.409 176.300 0.043 0.000 1.066 162 M CA 1.861 57.166 55.300 0.009 0.000 1.107 162 M CB -0.278 32.318 32.600 -0.007 0.000 1.356 162 M HN 0.010 nan 8.290 nan 0.000 0.406 163 R N -0.730 119.789 120.500 0.031 0.000 2.317 163 R HA 0.147 4.487 4.340 -0.000 0.000 0.208 163 R C 0.346 176.663 176.300 0.029 0.000 0.914 163 R CA 0.350 56.471 56.100 0.035 0.000 1.060 163 R CB -0.444 29.884 30.300 0.046 0.000 1.015 163 R HN 0.406 nan 8.270 nan 0.000 0.498 164 N N 0.077 118.795 118.700 0.029 0.000 2.758 164 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 164 N C 0.256 175.788 175.510 0.037 0.000 1.076 164 N CA 0.212 53.264 53.050 0.004 0.000 0.696 164 N CB -1.469 36.973 38.487 -0.076 0.000 0.979 164 N HN 0.330 nan 8.380 nan 0.000 0.550 165 F N 0.025 119.956 119.950 -0.031 0.000 2.095 165 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 165 F C 1.938 177.753 175.800 0.026 0.000 1.104 165 F CA 2.105 60.099 58.000 -0.009 0.000 1.232 165 F CB -0.327 38.663 39.000 -0.017 0.000 0.987 165 F HN 0.076 nan 8.300 nan 0.000 0.475 166 V N 1.378 121.287 119.914 -0.008 0.000 2.295 166 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 166 V C -0.353 175.680 176.094 -0.103 0.000 1.049 166 V CA 2.342 64.607 62.300 -0.059 0.000 1.024 166 V CB -2.022 29.856 31.823 0.092 0.000 0.648 166 V HN 0.248 nan 8.190 nan 0.000 0.447 167 P HA -0.107 nan 4.420 nan 0.000 0.218 167 P C 1.733 178.946 177.300 -0.144 0.000 1.148 167 P CA 1.813 64.868 63.100 -0.075 0.000 0.822 167 P CB -0.341 31.332 31.700 -0.044 0.000 0.784 168 G N -0.881 107.788 108.800 -0.218 0.000 2.459 168 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 168 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 168 G C 1.598 176.320 174.900 -0.297 0.000 1.183 168 G CA 0.746 45.683 45.100 -0.270 0.000 0.776 168 G HN 0.222 nan 8.290 nan 0.000 0.552 169 Y N 2.283 122.248 120.300 -0.559 0.000 2.128 169 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 169 Y C 2.712 178.490 175.900 -0.204 0.000 1.154 169 Y CA 2.046 59.884 58.100 -0.437 0.000 1.149 169 Y CB -0.270 37.837 38.460 -0.588 0.000 0.976 169 Y HN 0.144 nan 8.280 nan 0.000 0.505 170 N N 0.415 119.012 118.700 -0.171 0.000 2.104 170 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 170 N C 1.782 177.189 175.510 -0.171 0.000 1.024 170 N CA 1.799 54.759 53.050 -0.150 0.000 0.853 170 N CB -0.558 37.914 38.487 -0.024 0.000 1.008 170 N HN 0.589 nan 8.380 nan 0.000 0.424 171 Q N 0.322 120.029 119.800 -0.155 0.000 2.061 171 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 171 Q C 2.117 178.041 176.000 -0.127 0.000 0.984 171 Q CA 1.164 56.894 55.803 -0.122 0.000 0.846 171 Q CB -0.123 28.537 28.738 -0.130 0.000 0.902 171 Q HN 0.160 nan 8.270 nan 0.000 0.421 172 V N 0.931 120.731 119.914 -0.190 0.000 2.252 172 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 172 V C 2.464 178.450 176.094 -0.180 0.000 1.056 172 V CA 2.040 64.242 62.300 -0.163 0.000 1.022 172 V CB -0.958 30.741 31.823 -0.206 0.000 0.641 172 V HN 0.430 nan 8.190 nan 0.000 0.445 173 V N -1.071 118.656 119.914 -0.311 0.000 2.490 173 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 173 V C 2.015 178.040 176.094 -0.115 0.000 1.061 173 V CA 1.989 64.148 62.300 -0.235 0.000 1.064 173 V CB -0.986 30.656 31.823 -0.302 0.000 0.670 173 V HN 0.557 nan 8.190 nan 0.000 0.461 174 K N 1.125 121.466 120.400 -0.098 0.000 2.487 174 K HA 0.344 4.664 4.320 -0.000 0.000 0.192 174 K C 1.501 178.089 176.600 -0.020 0.000 1.027 174 K CA 0.635 56.895 56.287 -0.045 0.000 1.054 174 K CB -0.097 32.383 32.500 -0.034 0.000 0.824 174 K HN 0.793 nan 8.250 nan 0.000 0.510 175 G N 1.877 110.667 108.800 -0.017 0.000 2.162 175 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 175 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 175 G C -0.255 174.673 174.900 0.047 0.000 0.976 175 G CA 0.157 45.266 45.100 0.015 0.000 0.655 175 G HN 0.420 nan 8.290 nan 0.000 0.533 176 E N -1.155 119.071 120.200 0.043 0.000 2.342 176 E HA 0.497 4.847 4.350 -0.000 0.000 0.257 176 E C -0.263 176.444 176.600 0.179 0.000 1.150 176 E CA -0.593 55.853 56.400 0.077 0.000 0.926 176 E CB 0.949 30.664 29.700 0.024 0.000 1.074 176 E HN 0.312 nan 8.360 nan 0.000 0.449 177 W N 2.668 123.952 121.300 -0.026 0.000 2.725 177 W HA 0.211 4.871 4.660 -0.000 0.000 0.305 177 W C -1.601 174.910 176.519 -0.013 0.000 1.045 177 W CA -0.430 56.902 57.345 -0.021 0.000 1.202 177 W CB 0.802 30.251 29.460 -0.018 0.000 1.083 177 W HN 0.448 nan 8.180 nan 0.000 0.343 178 N N 4.575 123.173 118.700 -0.170 0.000 2.690 178 N HA 0.192 4.931 4.740 -0.000 0.000 0.255 178 N C 0.345 175.720 175.510 -0.225 0.000 1.195 178 N CA -0.173 52.811 53.050 -0.109 0.000 0.790 178 N CB 1.201 39.673 38.487 -0.026 0.000 1.216 178 N HN 0.057 nan 8.380 nan 0.000 0.528 179 V N 2.138 121.877 119.914 -0.292 0.000 2.252 179 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 179 V C 2.404 178.433 176.094 -0.108 0.000 1.056 179 V CA 2.519 64.667 62.300 -0.253 0.000 1.022 179 V CB -0.938 30.780 31.823 -0.176 0.000 0.641 179 V HN 0.712 nan 8.190 nan 0.000 0.445 180 A N 0.479 123.276 122.820 -0.038 0.000 1.986 180 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 180 A C 2.349 179.982 177.584 0.081 0.000 1.171 180 A CA 1.918 53.966 52.037 0.018 0.000 0.640 180 A CB -1.185 17.827 19.000 0.020 0.000 0.811 180 A HN 0.595 nan 8.150 nan 0.000 0.451 181 G N -0.813 108.014 108.800 0.044 0.000 2.498 181 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.219 181 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.219 181 G C 1.319 176.322 174.900 0.172 0.000 1.119 181 G CA 1.167 46.332 45.100 0.109 0.000 0.766 181 G HN 0.527 nan 8.290 nan 0.000 0.552 182 I N -0.105 120.485 120.570 0.032 0.000 3.300 182 I HA 0.202 4.372 4.170 -0.000 0.000 0.279 182 I C 2.891 178.919 176.117 -0.148 0.000 1.172 182 I CA 0.661 61.916 61.300 -0.076 0.000 1.431 182 I CB 0.129 38.051 38.000 -0.131 0.000 1.240 182 I HN 0.096 nan 8.210 nan 0.000 0.453 183 A N 0.838 123.602 122.820 -0.093 0.000 2.014 183 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 183 A C 2.230 179.719 177.584 -0.158 0.000 1.163 183 A CA 1.275 53.233 52.037 -0.131 0.000 0.652 183 A CB -0.990 17.958 19.000 -0.087 0.000 0.808 183 A HN 0.643 nan 8.150 nan 0.000 0.449 184 Y N 1.279 121.519 120.300 -0.099 0.000 2.315 184 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 184 Y C 1.670 177.519 175.900 -0.085 0.000 1.154 184 Y CA 1.561 59.610 58.100 -0.084 0.000 1.229 184 Y CB -0.343 38.092 38.460 -0.042 0.000 0.980 184 Y HN 0.381 nan 8.280 nan 0.000 0.540 185 R N 0.561 120.543 120.500 -0.863 0.000 2.596 185 R HA 0.627 4.967 4.340 -0.000 0.000 0.369 185 R C -0.155 175.982 176.300 -0.271 0.000 1.042 185 R CA 0.220 56.014 56.100 -0.509 0.000 1.120 185 R CB 0.079 29.989 30.300 -0.651 0.000 1.353 185 R HN 0.167 nan 8.270 nan 0.000 0.564 186 A N 1.194 123.789 122.820 -0.376 0.000 2.276 186 A HA 0.562 4.882 4.320 -0.000 0.000 0.300 186 A C -1.259 176.094 177.584 -0.384 0.000 1.235 186 A CA -0.303 51.587 52.037 -0.245 0.000 0.867 186 A CB 0.021 18.907 19.000 -0.191 0.000 1.137 186 A HN 0.330 nan 8.150 nan 0.000 0.527 187 Y N 0.629 120.893 120.300 -0.059 0.000 2.570 187 Y HA 0.377 4.927 4.550 -0.000 0.000 0.345 187 Y C 0.002 175.892 175.900 -0.017 0.000 1.014 187 Y CA -0.862 57.217 58.100 -0.035 0.000 1.063 187 Y CB 1.591 40.028 38.460 -0.038 0.000 1.272 187 Y HN 0.615 nan 8.280 nan 0.000 0.477 188 D N 1.037 121.531 120.400 0.157 0.000 2.339 188 D HA 0.055 4.695 4.640 -0.000 0.000 0.245 188 D C 0.755 177.121 176.300 0.109 0.000 1.115 188 D CA -0.180 53.887 54.000 0.111 0.000 0.917 188 D CB 1.406 42.262 40.800 0.093 0.000 1.192 188 D HN 0.426 nan 8.370 nan 0.000 0.428 189 L N 1.197 122.477 121.223 0.096 0.000 2.109 189 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 189 L C 0.840 177.761 176.870 0.085 0.000 1.086 189 L CA 1.228 56.105 54.840 0.062 0.000 0.760 189 L CB -0.515 41.556 42.059 0.020 0.000 0.910 189 L HN 0.499 nan 8.230 nan 0.000 0.437 190 E N -0.361 119.915 120.200 0.126 0.000 2.765 190 E HA 0.082 4.432 4.350 -0.000 0.000 0.256 190 E C 1.065 177.706 176.600 0.067 0.000 0.935 190 E CA 0.806 57.269 56.400 0.104 0.000 0.954 190 E CB -0.225 29.528 29.700 0.088 0.000 0.908 190 E HN 0.562 nan 8.360 nan 0.000 0.500 191 G N 3.748 112.579 108.800 0.053 0.000 2.176 191 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 191 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 191 G C -0.037 174.871 174.900 0.013 0.000 0.979 191 G CA 0.302 45.421 45.100 0.032 0.000 0.641 191 G HN 0.467 nan 8.290 nan 0.000 0.530 192 K N 0.802 121.206 120.400 0.007 0.000 2.087 192 K HA 0.565 4.885 4.320 -0.000 0.000 0.255 192 K C 0.109 176.698 176.600 -0.019 0.000 0.988 192 K CA -0.232 56.042 56.287 -0.023 0.000 0.915 192 K CB 0.899 33.376 32.500 -0.038 0.000 1.043 192 K HN 0.093 nan 8.250 nan 0.000 0.457 193 T N 2.444 116.979 114.554 -0.031 0.000 2.728 193 T HA 0.446 4.796 4.350 -0.000 0.000 0.296 193 T C 0.339 175.023 174.700 -0.027 0.000 0.940 193 T CA -0.376 61.711 62.100 -0.022 0.000 1.013 193 T CB 0.008 68.862 68.868 -0.024 0.000 0.912 193 T HN 0.271 nan 8.240 nan 0.000 0.484 194 I N 2.445 123.005 120.570 -0.016 0.000 2.433 194 I HA 0.614 4.784 4.170 -0.000 0.000 0.292 194 I C 0.604 176.724 176.117 0.005 0.000 1.001 194 I CA -0.647 60.639 61.300 -0.023 0.000 1.119 194 I CB 2.048 40.024 38.000 -0.041 0.000 1.289 194 I HN 0.687 nan 8.210 nan 0.000 0.438 195 G N 2.459 111.264 108.800 0.008 0.000 2.590 195 G HA2 0.504 4.464 3.960 -0.000 0.000 0.310 195 G HA3 0.504 4.464 3.960 -0.000 0.000 0.310 195 G C -0.984 173.949 174.900 0.054 0.000 1.347 195 G CA -0.404 44.724 45.100 0.046 0.000 0.963 195 G HN 0.417 nan 8.290 nan 0.000 0.494 196 T N 1.037 115.651 114.554 0.100 0.000 2.767 196 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 196 T C 0.003 174.793 174.700 0.151 0.000 0.963 196 T CA -0.352 61.803 62.100 0.091 0.000 1.019 196 T CB 0.780 69.690 68.868 0.070 0.000 0.923 196 T HN 0.297 nan 8.240 nan 0.000 0.468 197 V N 5.314 125.304 119.914 0.126 0.000 2.299 197 V HA 0.660 4.780 4.120 -0.000 0.000 0.255 197 V C 0.891 177.084 176.094 0.165 0.000 1.100 197 V CA 0.160 62.578 62.300 0.197 0.000 0.938 197 V CB -0.343 31.620 31.823 0.235 0.000 1.139 197 V HN 1.283 nan 8.190 nan 0.000 0.490 198 G N 3.873 112.780 108.800 0.177 0.000 3.363 198 G HA2 0.360 4.320 3.960 -0.000 0.000 0.685 198 G HA3 0.360 4.320 3.960 -0.000 0.000 0.685 198 G C -0.399 174.560 174.900 0.099 0.000 1.199 198 G CA -0.334 44.833 45.100 0.111 0.000 0.946 198 G HN 1.408 nan 8.290 nan 0.000 0.558 199 A N 1.716 124.588 122.820 0.087 0.000 3.253 199 A HA 0.839 5.159 4.320 -0.000 0.000 0.290 199 A C 1.120 178.689 177.584 -0.026 0.000 0.950 199 A CA 0.981 53.021 52.037 0.005 0.000 0.986 199 A CB 0.004 18.960 19.000 -0.074 0.000 1.104 199 A HN 2.089 nan 8.150 nan 0.000 0.481 200 G N -0.038 108.756 108.800 -0.010 0.000 2.829 200 G HA2 0.288 4.248 3.960 -0.000 0.000 0.173 200 G HA3 0.288 4.248 3.960 -0.000 0.000 0.173 200 G C 0.952 175.841 174.900 -0.020 0.000 1.476 200 G CA -0.328 44.764 45.100 -0.013 0.000 1.072 200 G HN 0.462 nan 8.290 nan 0.000 0.577 201 R N -0.926 119.571 120.500 -0.005 0.000 2.080 201 R HA -0.039 4.301 4.340 -0.000 0.000 0.236 201 R C 2.601 178.896 176.300 -0.007 0.000 1.137 201 R CA 1.498 57.596 56.100 -0.004 0.000 0.943 201 R CB -0.488 29.820 30.300 0.013 0.000 0.846 201 R HN 0.437 nan 8.270 nan 0.000 0.431 202 I N -0.091 120.480 120.570 0.001 0.000 2.252 202 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 202 I C 2.589 178.695 176.117 -0.018 0.000 1.102 202 I CA 1.351 62.650 61.300 -0.002 0.000 1.385 202 I CB -0.749 37.256 38.000 0.008 0.000 1.064 202 I HN 0.341 nan 8.210 nan 0.000 0.414 203 G N 1.197 109.984 108.800 -0.021 0.000 2.491 203 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 203 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 203 G C 1.713 176.576 174.900 -0.062 0.000 1.180 203 G CA 0.841 45.922 45.100 -0.032 0.000 0.774 203 G HN 0.315 nan 8.290 nan 0.000 0.562 204 K N -0.077 120.277 120.400 -0.077 0.000 2.044 204 K HA -0.018 4.302 4.320 -0.000 0.000 0.210 204 K C 2.547 179.111 176.600 -0.060 0.000 1.049 204 K CA 1.167 57.399 56.287 -0.092 0.000 0.927 204 K CB -0.381 32.069 32.500 -0.083 0.000 0.713 204 K HN 0.277 nan 8.250 nan 0.000 0.443 205 L N 0.704 121.903 121.223 -0.039 0.000 2.131 205 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 205 L C 2.422 179.277 176.870 -0.025 0.000 1.092 205 L CA 0.388 55.213 54.840 -0.025 0.000 0.759 205 L CB -0.381 41.669 42.059 -0.015 0.000 0.903 205 L HN 0.190 nan 8.230 nan 0.000 0.435 206 L N -0.154 121.049 121.223 -0.034 0.000 2.027 206 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 206 L C 2.287 179.135 176.870 -0.038 0.000 1.074 206 L CA 1.683 56.498 54.840 -0.042 0.000 0.745 206 L CB -0.388 41.641 42.059 -0.050 0.000 0.898 206 L HN 0.080 nan 8.230 nan 0.000 0.433 207 L N -0.764 120.435 121.223 -0.039 0.000 2.083 207 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 207 L C 2.730 179.594 176.870 -0.010 0.000 1.083 207 L CA 0.996 55.819 54.840 -0.030 0.000 0.752 207 L CB -0.677 41.346 42.059 -0.060 0.000 0.899 207 L HN 0.396 nan 8.230 nan 0.000 0.433 208 Q N 0.100 119.892 119.800 -0.014 0.000 2.124 208 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 208 Q C 2.325 178.346 176.000 0.035 0.000 0.977 208 Q CA 1.535 57.341 55.803 0.005 0.000 0.850 208 Q CB -0.144 28.591 28.738 -0.005 0.000 0.901 208 Q HN 0.509 nan 8.270 nan 0.000 0.429 209 R N -0.044 120.477 120.500 0.035 0.000 2.193 209 R HA 0.063 4.403 4.340 -0.000 0.000 0.213 209 R C 2.231 178.623 176.300 0.153 0.000 1.055 209 R CA 0.362 56.511 56.100 0.083 0.000 0.995 209 R CB -0.000 30.328 30.300 0.047 0.000 0.893 209 R HN 0.149 nan 8.270 nan 0.000 0.459 210 L N 1.239 122.502 121.223 0.067 0.000 2.313 210 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 210 L C 2.338 179.336 176.870 0.214 0.000 1.119 210 L CA 0.816 55.697 54.840 0.069 0.000 0.809 210 L CB -0.280 41.752 42.059 -0.046 0.000 0.933 210 L HN 0.185 nan 8.230 nan 0.000 0.449 211 K N 0.958 121.443 120.400 0.142 0.000 2.074 211 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 211 K C -0.823 175.847 176.600 0.117 0.000 1.048 211 K CA 1.419 57.770 56.287 0.108 0.000 0.926 211 K CB -1.409 31.127 32.500 0.059 0.000 0.713 211 K HN 0.259 nan 8.250 nan 0.000 0.444 212 P HA 0.042 nan 4.420 nan 0.000 0.249 212 P C 0.274 177.544 177.300 -0.049 0.000 1.229 212 P CA 0.273 63.373 63.100 -0.001 0.000 0.788 212 P CB -0.082 31.560 31.700 -0.097 0.000 1.072 213 F N 0.622 120.569 119.950 -0.006 0.000 2.748 213 F HA 0.266 4.793 4.527 -0.000 0.000 0.299 213 F C 1.770 177.569 175.800 -0.001 0.000 1.154 213 F CA 0.994 58.991 58.000 -0.005 0.000 1.446 213 F CB -0.834 38.161 39.000 -0.008 0.000 1.112 213 F HN 0.047 nan 8.300 nan 0.000 0.584 214 G N 0.422 109.306 108.800 0.139 0.000 2.256 214 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.272 214 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.272 214 G C -0.016 174.936 174.900 0.087 0.000 1.076 214 G CA -0.095 45.056 45.100 0.084 0.000 0.882 214 G HN 0.341 nan 8.290 nan 0.000 0.497 215 C N -0.566 118.792 119.300 0.096 0.000 2.347 215 C HA 0.662 5.122 4.460 -0.000 0.000 0.366 215 C C 0.902 175.919 174.990 0.045 0.000 1.241 215 C CA -0.667 58.388 59.018 0.061 0.000 2.360 215 C CB 1.344 29.113 27.740 0.047 0.000 2.290 215 C HN 0.707 nan 8.230 nan 0.000 0.587 216 N N 1.244 119.962 118.700 0.030 0.000 2.500 216 N HA 0.392 5.132 4.740 -0.000 0.000 0.236 216 N C -1.115 174.415 175.510 0.033 0.000 1.022 216 N CA 0.016 53.083 53.050 0.029 0.000 0.935 216 N CB -0.098 38.399 38.487 0.016 0.000 1.147 216 N HN 0.518 nan 8.380 nan 0.000 0.512 217 L N 3.901 125.155 121.223 0.052 0.000 2.292 217 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 217 L C -0.208 176.725 176.870 0.105 0.000 1.065 217 L CA -0.642 54.240 54.840 0.070 0.000 0.806 217 L CB 0.789 42.893 42.059 0.074 0.000 1.175 217 L HN 0.302 nan 8.230 nan 0.000 0.431 218 L N 3.862 125.152 121.223 0.113 0.000 2.354 218 L HA 0.624 4.964 4.340 -0.000 0.000 0.264 218 L C -1.083 175.921 176.870 0.224 0.000 1.008 218 L CA -0.983 53.932 54.840 0.124 0.000 0.819 218 L CB 2.152 44.234 42.059 0.039 0.000 1.339 218 L HN 0.481 nan 8.230 nan 0.000 0.420 219 Y N -0.531 119.814 120.300 0.076 0.000 2.571 219 Y HA 0.698 5.248 4.550 -0.000 0.000 0.341 219 Y C -1.297 174.687 175.900 0.140 0.000 1.076 219 Y CA -1.180 56.984 58.100 0.107 0.000 1.029 219 Y CB 1.332 39.859 38.460 0.113 0.000 1.308 219 Y HN 0.590 nan 8.280 nan 0.000 0.461 220 H N 2.012 121.131 119.070 0.081 0.000 2.600 220 H HA 0.679 5.235 4.556 -0.000 0.000 0.357 220 H C -1.817 173.642 175.328 0.218 0.000 1.106 220 H CA -0.363 55.681 56.048 -0.007 0.000 1.193 220 H CB 1.860 31.587 29.762 -0.058 0.000 1.594 220 H HN 0.919 nan 8.280 nan 0.000 0.526 221 D N 2.264 122.377 120.400 -0.478 0.000 2.639 221 D HA 0.166 4.806 4.640 -0.000 0.000 0.271 221 D C 0.328 176.456 176.300 -0.286 0.000 1.254 221 D CA -0.540 53.305 54.000 -0.258 0.000 0.810 221 D CB 1.719 42.586 40.800 0.111 0.000 1.351 221 D HN 0.723 nan 8.370 nan 0.000 0.427 222 R N -0.009 120.429 120.500 -0.104 0.000 2.193 222 R HA 0.179 4.519 4.340 -0.000 0.000 0.213 222 R C 0.251 176.575 176.300 0.039 0.000 1.055 222 R CA 0.579 56.681 56.100 0.003 0.000 0.995 222 R CB 0.155 30.468 30.300 0.022 0.000 0.893 222 R HN 0.210 nan 8.270 nan 0.000 0.459 223 L N 1.259 122.494 121.223 0.019 0.000 2.313 223 L HA 0.303 4.643 4.340 -0.000 0.000 0.283 223 L C -0.064 176.760 176.870 -0.077 0.000 1.013 223 L CA -0.609 54.214 54.840 -0.029 0.000 0.816 223 L CB 1.815 43.863 42.059 -0.019 0.000 1.236 223 L HN -0.013 nan 8.230 nan 0.000 0.419 224 Q N 2.891 122.508 119.800 -0.306 0.000 2.340 224 Q HA 0.376 4.716 4.340 -0.000 0.000 0.249 224 Q C -0.484 175.410 176.000 -0.177 0.000 0.957 224 Q CA -0.451 55.032 55.803 -0.534 0.000 0.882 224 Q CB 1.188 29.307 28.738 -1.031 0.000 1.235 224 Q HN 0.555 nan 8.270 nan 0.000 0.439 225 M N 1.870 121.444 119.600 -0.043 0.000 2.226 225 M HA 0.241 4.721 4.480 -0.000 0.000 0.324 225 M C 0.244 176.500 176.300 -0.073 0.000 1.112 225 M CA -0.337 54.905 55.300 -0.095 0.000 1.176 225 M CB 0.696 33.169 32.600 -0.212 0.000 1.430 225 M HN 0.750 nan 8.290 nan 0.000 0.462 226 A N 2.680 125.460 122.820 -0.067 0.000 2.520 226 A HA 0.167 4.487 4.320 -0.000 0.000 0.235 226 A C -1.583 175.985 177.584 -0.027 0.000 1.065 226 A CA -1.064 50.946 52.037 -0.046 0.000 0.764 226 A CB -0.678 18.299 19.000 -0.038 0.000 1.002 226 A HN 0.633 nan 8.150 nan 0.000 0.502 227 P HA -0.135 nan 4.420 nan 0.000 0.218 227 P C 0.778 178.080 177.300 0.005 0.000 1.148 227 P CA 1.341 64.444 63.100 0.004 0.000 0.822 227 P CB 0.183 31.885 31.700 0.004 0.000 0.784 228 E N -0.726 119.470 120.200 -0.006 0.000 2.153 228 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 228 E C 1.839 178.433 176.600 -0.009 0.000 0.988 228 E CA 0.704 57.101 56.400 -0.006 0.000 0.811 228 E CB -0.898 28.796 29.700 -0.010 0.000 0.746 228 E HN 0.141 nan 8.360 nan 0.000 0.466 229 L N 0.704 121.914 121.223 -0.022 0.000 2.202 229 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 229 L C 1.589 178.441 176.870 -0.031 0.000 1.083 229 L CA 1.477 56.294 54.840 -0.037 0.000 0.790 229 L CB -0.145 41.874 42.059 -0.067 0.000 0.942 229 L HN 0.021 nan 8.230 nan 0.000 0.452 230 E N -0.276 119.920 120.200 -0.007 0.000 2.085 230 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 230 E C 2.050 178.676 176.600 0.044 0.000 0.994 230 E CA 1.606 58.033 56.400 0.045 0.000 0.801 230 E CB -0.118 29.647 29.700 0.108 0.000 0.743 230 E HN 0.394 nan 8.360 nan 0.000 0.453 231 K N 0.837 121.255 120.400 0.030 0.000 2.057 231 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 231 K C 2.141 178.753 176.600 0.019 0.000 1.050 231 K CA 1.394 57.697 56.287 0.026 0.000 0.935 231 K CB 0.096 32.607 32.500 0.020 0.000 0.715 231 K HN -0.099 nan 8.250 nan 0.000 0.439 232 E N -0.094 120.112 120.200 0.009 0.000 2.072 232 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 232 E C 1.681 178.288 176.600 0.010 0.000 0.985 232 E CA 2.158 58.562 56.400 0.006 0.000 0.801 232 E CB -0.205 29.493 29.700 -0.003 0.000 0.750 232 E HN 0.459 nan 8.360 nan 0.000 0.452 233 T N -4.058 110.501 114.554 0.009 0.000 3.035 233 T HA 0.222 4.572 4.350 -0.000 0.000 0.259 233 T C 1.680 176.402 174.700 0.035 0.000 1.078 233 T CA 0.703 62.812 62.100 0.015 0.000 1.132 233 T CB -0.071 68.793 68.868 -0.007 0.000 0.900 233 T HN 0.376 nan 8.240 nan 0.000 0.480 234 G N 1.549 110.375 108.800 0.043 0.000 2.162 234 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.260 234 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.260 234 G C 0.262 175.214 174.900 0.086 0.000 0.976 234 G CA 0.007 45.142 45.100 0.059 0.000 0.655 234 G HN 1.223 nan 8.290 nan 0.000 0.533 235 A N -0.054 122.829 122.820 0.105 0.000 2.409 235 A HA 0.638 4.958 4.320 -0.000 0.000 0.262 235 A C 0.470 178.233 177.584 0.299 0.000 1.113 235 A CA 0.676 52.828 52.037 0.193 0.000 0.790 235 A CB 0.507 19.613 19.000 0.177 0.000 1.046 235 A HN 0.606 nan 8.150 nan 0.000 0.496 236 K N 2.519 123.082 120.400 0.272 0.000 2.185 236 K HA 0.420 4.739 4.320 -0.000 0.000 0.269 236 K C -0.975 175.663 176.600 0.064 0.000 0.987 236 K CA -0.550 55.856 56.287 0.197 0.000 0.865 236 K CB 0.611 33.165 32.500 0.089 0.000 1.090 236 K HN 0.542 nan 8.250 nan 0.000 0.450 237 F N 4.991 124.802 119.950 -0.232 0.000 2.495 237 F HA 0.203 4.730 4.527 -0.000 0.000 0.365 237 F C -0.794 174.792 175.800 -0.356 0.000 1.090 237 F CA -0.134 57.451 58.000 -0.691 0.000 1.235 237 F CB 0.663 39.430 39.000 -0.389 0.000 1.119 237 F HN 0.138 nan 8.300 nan 0.000 0.562 238 V N 7.816 127.160 119.914 -0.950 0.000 2.325 238 V HA 0.133 4.253 4.120 -0.000 0.000 0.280 238 V C 0.858 176.414 176.094 -0.897 0.000 1.016 238 V CA -0.616 61.261 62.300 -0.706 0.000 0.818 238 V CB 0.966 32.591 31.823 -0.330 0.000 1.019 238 V HN 0.929 nan 8.190 nan 0.000 0.434 239 E N 2.522 122.131 120.200 -0.985 0.000 2.085 239 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 239 E C 0.007 176.528 176.600 -0.131 0.000 0.994 239 E CA 1.099 57.097 56.400 -0.671 0.000 0.801 239 E CB 0.373 29.930 29.700 -0.239 0.000 0.743 239 E HN 0.735 nan 8.360 nan 0.000 0.453 240 D N 0.304 120.606 120.400 -0.162 0.000 2.303 240 D HA 0.059 4.699 4.640 -0.000 0.000 0.236 240 D C 0.673 176.792 176.300 -0.302 0.000 1.068 240 D CA -0.280 53.632 54.000 -0.147 0.000 0.830 240 D CB 1.927 42.656 40.800 -0.119 0.000 1.109 240 D HN 0.032 nan 8.370 nan 0.000 0.496 241 L N 3.646 124.514 121.223 -0.592 0.000 2.042 241 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 241 L C 1.477 178.156 176.870 -0.319 0.000 1.076 241 L CA 1.798 56.231 54.840 -0.678 0.000 0.749 241 L CB -0.363 41.195 42.059 -0.835 0.000 0.893 241 L HN 0.352 nan 8.230 nan 0.000 0.432 242 N N -0.259 118.295 118.700 -0.242 0.000 2.272 242 N HA -0.248 4.492 4.740 -0.000 0.000 0.185 242 N C 1.760 177.194 175.510 -0.127 0.000 1.014 242 N CA 1.463 54.416 53.050 -0.161 0.000 0.870 242 N CB -0.071 38.337 38.487 -0.131 0.000 0.975 242 N HN 0.616 nan 8.380 nan 0.000 0.433 243 E N 0.710 120.827 120.200 -0.138 0.000 2.072 243 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 243 E C 2.029 178.567 176.600 -0.102 0.000 0.985 243 E CA 0.651 56.984 56.400 -0.112 0.000 0.801 243 E CB 0.048 29.676 29.700 -0.120 0.000 0.750 243 E HN 0.247 nan 8.360 nan 0.000 0.452 244 M N 0.373 119.899 119.600 -0.123 0.000 2.156 244 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 244 M C 2.080 178.349 176.300 -0.052 0.000 1.067 244 M CA 0.993 56.240 55.300 -0.088 0.000 1.131 244 M CB 0.028 32.574 32.600 -0.090 0.000 1.368 244 M HN 0.162 nan 8.290 nan 0.000 0.416 245 L N 0.382 121.574 121.223 -0.052 0.000 1.997 245 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 245 L C -0.580 176.290 176.870 -0.001 0.000 1.074 245 L CA 1.688 56.523 54.840 -0.009 0.000 0.763 245 L CB -2.488 39.562 42.059 -0.015 0.000 0.890 245 L HN 0.243 nan 8.230 nan 0.000 0.434 246 P HA -0.168 nan 4.420 nan 0.000 0.219 246 P C 1.063 178.350 177.300 -0.022 0.000 1.146 246 P CA 1.372 64.464 63.100 -0.013 0.000 0.808 246 P CB -0.025 31.662 31.700 -0.022 0.000 0.779 247 K N -1.797 118.587 120.400 -0.027 0.000 2.432 247 K HA 0.054 4.374 4.320 -0.000 0.000 0.196 247 K C 0.219 176.801 176.600 -0.030 0.000 1.038 247 K CA 0.234 56.503 56.287 -0.030 0.000 0.986 247 K CB -0.306 32.175 32.500 -0.031 0.000 0.782 247 K HN 0.161 nan 8.250 nan 0.000 0.485 248 C N 2.361 121.646 119.300 -0.024 0.000 2.369 248 C HA 0.166 4.626 4.460 -0.000 0.000 0.358 248 C C 1.399 176.363 174.990 -0.043 0.000 1.274 248 C CA -0.960 58.042 59.018 -0.026 0.000 1.935 248 C CB 0.672 28.406 27.740 -0.010 0.000 2.431 248 C HN 0.431 nan 8.230 nan 0.000 0.545 249 D N 1.031 121.396 120.400 -0.059 0.000 2.183 249 D HA -0.004 4.636 4.640 -0.000 0.000 0.203 249 D C 0.371 176.625 176.300 -0.076 0.000 0.969 249 D CA 1.317 55.267 54.000 -0.082 0.000 0.842 249 D CB 0.294 41.033 40.800 -0.100 0.000 0.957 249 D HN 0.355 nan 8.370 nan 0.000 0.484 250 V N 1.856 121.731 119.914 -0.066 0.000 2.638 250 V HA 0.300 4.420 4.120 -0.000 0.000 0.306 250 V C -0.382 175.676 176.094 -0.061 0.000 1.052 250 V CA -0.754 61.502 62.300 -0.074 0.000 0.885 250 V CB 3.067 34.837 31.823 -0.088 0.000 0.999 250 V HN -0.081 nan 8.190 nan 0.000 0.424 251 I N 4.615 125.140 120.570 -0.074 0.000 2.433 251 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 251 I C -0.587 175.453 176.117 -0.128 0.000 1.001 251 I CA -0.594 60.665 61.300 -0.069 0.000 1.119 251 I CB 2.150 40.125 38.000 -0.042 0.000 1.289 251 I HN 0.292 nan 8.210 nan 0.000 0.438 252 V N 6.419 126.271 119.914 -0.103 0.000 2.409 252 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 252 V C 0.120 176.145 176.094 -0.115 0.000 1.020 252 V CA -0.737 61.485 62.300 -0.130 0.000 0.848 252 V CB 2.152 33.916 31.823 -0.098 0.000 0.990 252 V HN 0.348 nan 8.190 nan 0.000 0.430 253 I N 4.449 124.917 120.570 -0.171 0.000 2.352 253 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 253 I C 0.430 176.509 176.117 -0.064 0.000 1.036 253 I CA 0.179 61.399 61.300 -0.134 0.000 1.336 253 I CB 0.780 38.655 38.000 -0.208 0.000 1.407 253 I HN 0.623 nan 8.210 nan 0.000 0.497 254 N N 6.135 124.829 118.700 -0.010 0.000 2.547 254 N HA 0.313 5.053 4.740 -0.000 0.000 0.285 254 N C -0.566 174.954 175.510 0.017 0.000 1.600 254 N CA -0.076 52.975 53.050 0.002 0.000 0.872 254 N CB 0.845 39.334 38.487 0.005 0.000 1.412 254 N HN 0.532 nan 8.380 nan 0.000 0.489 255 M N 0.350 119.962 119.600 0.019 0.000 2.705 255 M HA 0.553 5.033 4.480 -0.000 0.000 0.311 255 M C -2.249 174.031 176.300 -0.034 0.000 1.214 255 M CA -1.721 53.580 55.300 0.001 0.000 0.920 255 M CB 1.644 34.267 32.600 0.038 0.000 1.687 255 M HN -0.167 nan 8.290 nan 0.000 0.481 256 P HA 0.200 nan 4.420 nan 0.000 0.274 256 P C -1.190 176.053 177.300 -0.095 0.000 1.246 256 P CA -0.648 62.349 63.100 -0.172 0.000 0.795 256 P CB 0.405 31.755 31.700 -0.584 0.000 1.006 257 L N 1.907 123.133 121.223 0.004 0.000 2.315 257 L HA 0.402 4.742 4.340 -0.000 0.000 0.283 257 L C 0.170 177.101 176.870 0.102 0.000 1.089 257 L CA 0.835 55.719 54.840 0.074 0.000 0.833 257 L CB -0.781 41.354 42.059 0.128 0.000 1.170 257 L HN 0.616 nan 8.230 nan 0.000 0.442 258 T N -0.255 114.341 114.554 0.069 0.000 2.838 258 T HA 0.328 4.678 4.350 -0.000 0.000 0.292 258 T C 0.684 175.438 174.700 0.091 0.000 1.113 258 T CA -0.142 62.019 62.100 0.102 0.000 1.008 258 T CB 0.962 69.840 68.868 0.017 0.000 1.259 258 T HN 0.628 nan 8.240 nan 0.000 0.520 259 E N 0.373 120.629 120.200 0.092 0.000 2.118 259 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 259 E C 1.692 178.322 176.600 0.051 0.000 0.992 259 E CA 1.276 57.715 56.400 0.066 0.000 0.804 259 E CB -0.062 29.674 29.700 0.060 0.000 0.741 259 E HN 0.641 nan 8.360 nan 0.000 0.458 260 K N -0.562 119.867 120.400 0.048 0.000 2.155 260 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 260 K C 2.197 178.822 176.600 0.041 0.000 1.052 260 K CA 1.581 57.891 56.287 0.037 0.000 0.948 260 K CB 0.087 32.608 32.500 0.035 0.000 0.728 260 K HN 0.246 nan 8.250 nan 0.000 0.448 261 T N -1.593 112.992 114.554 0.053 0.000 3.044 261 T HA 0.042 4.392 4.350 -0.000 0.000 0.250 261 T C 0.829 175.586 174.700 0.095 0.000 1.081 261 T CA -0.335 61.811 62.100 0.077 0.000 1.040 261 T CB 0.038 68.954 68.868 0.080 0.000 0.962 261 T HN 0.001 nan 8.240 nan 0.000 0.506 262 R N 1.267 121.814 120.500 0.079 0.000 2.484 262 R HA 0.351 4.691 4.340 -0.000 0.000 0.293 262 R C 1.430 177.776 176.300 0.076 0.000 1.023 262 R CA 1.031 57.180 56.100 0.082 0.000 1.037 262 R CB -0.498 29.842 30.300 0.066 0.000 0.951 262 R HN 0.458 nan 8.270 nan 0.000 0.418 263 G N 4.693 113.551 108.800 0.096 0.000 2.200 263 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.267 263 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.267 263 G C 0.719 175.667 174.900 0.080 0.000 0.993 263 G CA 0.997 46.151 45.100 0.090 0.000 0.701 263 G HN 0.833 nan 8.290 nan 0.000 0.524 264 M N -2.240 117.414 119.600 0.090 0.000 2.149 264 M HA 0.275 4.755 4.480 -0.000 0.000 0.261 264 M C 1.191 177.433 176.300 -0.097 0.000 1.064 264 M CA 1.414 56.712 55.300 -0.003 0.000 1.102 264 M CB -0.188 32.396 32.600 -0.027 0.000 1.369 264 M HN 0.033 nan 8.290 nan 0.000 0.408 265 F N 3.348 123.315 119.950 0.029 0.000 2.652 265 F HA 0.244 4.771 4.527 -0.000 0.000 0.352 265 F C 0.390 176.201 175.800 0.018 0.000 1.259 265 F CA -0.947 57.066 58.000 0.023 0.000 1.249 265 F CB -0.905 38.118 39.000 0.037 0.000 1.628 265 F HN 0.392 nan 8.300 nan 0.000 0.654 266 N N 0.394 119.120 118.700 0.043 0.000 2.538 266 N HA 0.193 4.933 4.740 -0.000 0.000 0.292 266 N C 1.183 176.695 175.510 0.003 0.000 1.262 266 N CA -0.831 52.238 53.050 0.031 0.000 0.976 266 N CB 0.436 38.923 38.487 -0.001 0.000 1.161 266 N HN 0.214 nan 8.380 nan 0.000 0.598 267 K N -0.287 120.107 120.400 -0.010 0.000 2.059 267 K HA -0.293 4.027 4.320 -0.000 0.000 0.212 267 K C 1.546 178.108 176.600 -0.064 0.000 1.050 267 K CA 1.907 58.172 56.287 -0.037 0.000 0.927 267 K CB -0.182 32.297 32.500 -0.034 0.000 0.714 267 K HN 0.718 nan 8.250 nan 0.000 0.447 268 E N 0.614 120.778 120.200 -0.061 0.000 2.051 268 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 268 E C 2.229 178.775 176.600 -0.090 0.000 0.991 268 E CA 1.199 57.556 56.400 -0.072 0.000 0.799 268 E CB -0.154 29.507 29.700 -0.065 0.000 0.748 268 E HN 0.441 nan 8.360 nan 0.000 0.449 269 L N 0.676 121.832 121.223 -0.111 0.000 2.017 269 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 269 L C 2.479 179.300 176.870 -0.081 0.000 1.073 269 L CA 1.135 55.880 54.840 -0.158 0.000 0.745 269 L CB -0.174 41.689 42.059 -0.328 0.000 0.894 269 L HN 0.258 nan 8.230 nan 0.000 0.432 270 I N -0.204 120.352 120.570 -0.024 0.000 2.264 270 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 270 I C 2.483 178.544 176.117 -0.093 0.000 1.111 270 I CA 1.282 62.598 61.300 0.026 0.000 1.382 270 I CB -0.882 37.137 38.000 0.032 0.000 1.060 270 I HN 0.394 nan 8.210 nan 0.000 0.418 271 G N 0.805 109.495 108.800 -0.183 0.000 2.462 271 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 271 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 271 G C 1.671 176.543 174.900 -0.047 0.000 1.121 271 G CA 0.576 45.514 45.100 -0.270 0.000 0.758 271 G HN 0.368 nan 8.290 nan 0.000 0.559 272 K N -0.455 119.945 120.400 -0.001 0.000 2.366 272 K HA 0.230 4.550 4.320 -0.000 0.000 0.198 272 K C 0.828 177.481 176.600 0.089 0.000 1.044 272 K CA -0.214 56.091 56.287 0.030 0.000 0.973 272 K CB 0.031 32.516 32.500 -0.025 0.000 0.767 272 K HN 0.266 nan 8.250 nan 0.000 0.475 273 L N 1.375 122.700 121.223 0.170 0.000 2.472 273 L HA 0.117 4.457 4.340 -0.000 0.000 0.260 273 L C 0.613 177.560 176.870 0.128 0.000 1.209 273 L CA -0.559 54.377 54.840 0.160 0.000 0.817 273 L CB 0.227 42.400 42.059 0.190 0.000 1.106 273 L HN 0.026 nan 8.230 nan 0.000 0.479 274 K N 1.625 122.027 120.400 0.003 0.000 2.448 274 K HA -0.009 4.311 4.320 -0.000 0.000 0.278 274 K C -0.059 176.385 176.600 -0.261 0.000 1.009 274 K CA -0.161 56.070 56.287 -0.094 0.000 0.995 274 K CB 0.559 33.011 32.500 -0.081 0.000 0.917 274 K HN 0.401 nan 8.250 nan 0.000 0.481 275 K N 2.258 122.422 120.400 -0.394 0.000 2.472 275 K HA -0.030 4.290 4.320 -0.000 0.000 0.280 275 K C 0.570 177.013 176.600 -0.261 0.000 1.028 275 K CA 1.191 57.168 56.287 -0.517 0.000 1.045 275 K CB 0.095 32.388 32.500 -0.346 0.000 0.902 275 K HN 0.780 nan 8.250 nan 0.000 0.478 276 G N 2.205 110.881 108.800 -0.207 0.000 2.175 276 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 276 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 276 G C 0.085 174.931 174.900 -0.089 0.000 0.982 276 G CA -0.040 44.995 45.100 -0.107 0.000 0.641 276 G HN 0.702 nan 8.290 nan 0.000 0.527 277 V N 1.443 121.303 119.914 -0.089 0.000 2.720 277 V HA 0.328 4.448 4.120 -0.000 0.000 0.307 277 V C 0.888 176.955 176.094 -0.044 0.000 1.071 277 V CA 0.536 62.802 62.300 -0.056 0.000 1.199 277 V CB 0.622 32.435 31.823 -0.016 0.000 0.900 277 V HN 0.353 nan 8.190 nan 0.000 0.494 278 L N 7.856 129.041 121.223 -0.063 0.000 2.272 278 L HA 0.554 4.894 4.340 -0.000 0.000 0.289 278 L C -0.248 176.560 176.870 -0.103 0.000 1.032 278 L CA -0.307 54.486 54.840 -0.077 0.000 0.810 278 L CB 1.367 43.374 42.059 -0.086 0.000 1.205 278 L HN 0.486 nan 8.230 nan 0.000 0.422 279 I N 3.732 124.223 120.570 -0.131 0.000 2.378 279 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 279 I C -0.489 175.388 176.117 -0.401 0.000 0.992 279 I CA -0.789 60.385 61.300 -0.210 0.000 1.154 279 I CB 2.335 40.270 38.000 -0.109 0.000 1.315 279 I HN 0.222 nan 8.210 nan 0.000 0.448 280 V N 5.381 125.070 119.914 -0.375 0.000 2.417 280 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 280 V C -0.356 175.477 176.094 -0.435 0.000 1.024 280 V CA -0.541 61.506 62.300 -0.422 0.000 0.861 280 V CB 1.711 33.369 31.823 -0.275 0.000 0.985 280 V HN 0.706 nan 8.190 nan 0.000 0.436 281 N N 3.721 122.102 118.700 -0.531 0.000 2.648 281 N HA 0.318 5.058 4.740 -0.000 0.000 0.261 281 N C -0.272 175.086 175.510 -0.254 0.000 1.138 281 N CA -0.332 52.500 53.050 -0.363 0.000 0.804 281 N CB 0.847 39.133 38.487 -0.336 0.000 1.237 281 N HN 0.476 nan 8.380 nan 0.000 0.532 282 N N 1.275 119.874 118.700 -0.168 0.000 2.279 282 N HA 0.293 5.033 4.740 -0.000 0.000 0.226 282 N C 0.681 176.159 175.510 -0.053 0.000 1.126 282 N CA 0.016 53.008 53.050 -0.096 0.000 0.846 282 N CB 0.902 39.356 38.487 -0.055 0.000 1.050 282 N HN 0.589 nan 8.380 nan 0.000 0.502 283 A N 0.218 123.003 122.820 -0.058 0.000 2.250 283 A HA 0.374 4.694 4.320 -0.000 0.000 0.222 283 A C 0.565 178.145 177.584 -0.006 0.000 1.768 283 A CA 0.755 52.781 52.037 -0.018 0.000 0.660 283 A CB 0.503 19.493 19.000 -0.017 0.000 1.318 283 A HN 0.019 nan 8.150 nan 0.000 0.527 284 R N -1.812 118.698 120.500 0.017 0.000 2.651 284 R HA 0.386 4.726 4.340 -0.000 0.000 0.278 284 R C 0.922 177.281 176.300 0.099 0.000 1.010 284 R CA 0.109 56.237 56.100 0.047 0.000 0.896 284 R CB 1.195 31.544 30.300 0.082 0.000 1.211 284 R HN 0.465 nan 8.270 nan 0.000 0.456 285 G N 1.043 109.919 108.800 0.127 0.000 2.440 285 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 285 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 285 G C 0.970 176.008 174.900 0.229 0.000 1.154 285 G CA 1.071 46.313 45.100 0.236 0.000 0.767 285 G HN 0.599 nan 8.290 nan 0.000 0.552 286 A N 0.074 122.977 122.820 0.140 0.000 2.235 286 A HA 0.323 4.643 4.320 -0.000 0.000 0.208 286 A C 2.122 179.791 177.584 0.141 0.000 1.172 286 A CA 0.193 52.299 52.037 0.116 0.000 0.786 286 A CB -0.297 18.750 19.000 0.078 0.000 0.804 286 A HN 0.400 nan 8.150 nan 0.000 0.479 287 I N -0.221 120.447 120.570 0.162 0.000 2.493 287 I HA -0.132 4.038 4.170 -0.000 0.000 0.254 287 I C 0.521 176.790 176.117 0.252 0.000 1.160 287 I CA 0.451 61.862 61.300 0.186 0.000 1.445 287 I CB -0.162 37.932 38.000 0.157 0.000 1.086 287 I HN 0.279 nan 8.210 nan 0.000 0.433 288 M N 0.878 120.634 119.600 0.260 0.000 2.314 288 M HA 0.238 4.718 4.480 -0.000 0.000 0.342 288 M C 0.118 176.565 176.300 0.245 0.000 1.171 288 M CA -0.308 55.166 55.300 0.290 0.000 1.098 288 M CB 0.579 33.375 32.600 0.327 0.000 1.559 288 M HN -0.069 nan 8.290 nan 0.000 0.459 289 E N 1.890 122.208 120.200 0.197 0.000 2.290 289 E HA 0.086 4.436 4.350 -0.000 0.000 0.277 289 E C 0.834 177.545 176.600 0.185 0.000 1.035 289 E CA -0.038 56.444 56.400 0.136 0.000 0.873 289 E CB 1.343 31.094 29.700 0.086 0.000 1.029 289 E HN 0.547 nan 8.360 nan 0.000 0.419 290 R N 2.572 123.143 120.500 0.119 0.000 2.080 290 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 290 R C 1.713 178.136 176.300 0.206 0.000 1.137 290 R CA 1.774 57.945 56.100 0.118 0.000 0.943 290 R CB 0.132 30.295 30.300 -0.228 0.000 0.846 290 R HN 0.297 nan 8.270 nan 0.000 0.431 291 Q N -0.135 119.713 119.800 0.081 0.000 2.172 291 Q HA 0.041 4.381 4.340 -0.000 0.000 0.200 291 Q C 1.769 177.813 176.000 0.074 0.000 0.964 291 Q CA 1.589 57.435 55.803 0.071 0.000 0.855 291 Q CB -0.106 28.646 28.738 0.023 0.000 0.918 291 Q HN 0.466 nan 8.270 nan 0.000 0.444 292 A N -0.667 122.195 122.820 0.069 0.000 1.908 292 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 292 A C 2.214 179.812 177.584 0.023 0.000 1.181 292 A CA 1.739 53.801 52.037 0.042 0.000 0.627 292 A CB -0.865 18.163 19.000 0.046 0.000 0.818 292 A HN 0.248 nan 8.150 nan 0.000 0.445 293 V N -0.451 119.478 119.914 0.026 0.000 2.343 293 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 293 V C 2.586 178.619 176.094 -0.102 0.000 1.051 293 V CA 1.977 64.192 62.300 -0.142 0.000 1.036 293 V CB -0.745 30.781 31.823 -0.496 0.000 0.654 293 V HN 0.384 nan 8.190 nan 0.000 0.451 294 V N 0.232 120.168 119.914 0.037 0.000 2.287 294 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 294 V C 2.290 178.403 176.094 0.031 0.000 1.053 294 V CA 2.310 64.647 62.300 0.061 0.000 1.027 294 V CB -0.708 31.198 31.823 0.139 0.000 0.646 294 V HN 0.559 nan 8.190 nan 0.000 0.447 295 D N 0.333 120.750 120.400 0.028 0.000 2.117 295 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 295 D C 2.164 178.471 176.300 0.013 0.000 0.987 295 D CA 1.680 55.692 54.000 0.019 0.000 0.829 295 D CB -0.319 40.487 40.800 0.010 0.000 0.961 295 D HN 0.454 nan 8.370 nan 0.000 0.460 296 A N 0.370 123.190 122.820 0.000 0.000 1.970 296 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 296 A C 2.445 180.055 177.584 0.043 0.000 1.170 296 A CA 0.612 52.660 52.037 0.019 0.000 0.645 296 A CB -0.441 18.558 19.000 -0.002 0.000 0.816 296 A HN 0.121 nan 8.150 nan 0.000 0.447 297 V N -0.022 119.894 119.914 0.003 0.000 2.358 297 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 297 V C 2.567 178.679 176.094 0.031 0.000 1.047 297 V CA 2.372 64.675 62.300 0.006 0.000 1.035 297 V CB -0.567 31.234 31.823 -0.038 0.000 0.658 297 V HN 0.688 nan 8.190 nan 0.000 0.452 298 E N 1.096 121.316 120.200 0.033 0.000 2.077 298 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 298 E C 2.291 178.919 176.600 0.045 0.000 0.989 298 E CA 1.691 58.117 56.400 0.042 0.000 0.800 298 E CB -0.331 29.394 29.700 0.041 0.000 0.746 298 E HN 0.712 nan 8.360 nan 0.000 0.452 299 S N -1.636 114.094 115.700 0.050 0.000 2.522 299 S HA 0.108 4.578 4.470 -0.000 0.000 0.227 299 S C 1.726 176.368 174.600 0.071 0.000 0.986 299 S CA 0.764 59.000 58.200 0.060 0.000 0.929 299 S CB -0.000 63.240 63.200 0.067 0.000 0.769 299 S HN 0.540 nan 8.310 nan 0.000 0.529 300 G N 0.493 109.335 108.800 0.069 0.000 2.176 300 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.253 300 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.253 300 G C 0.501 175.438 174.900 0.060 0.000 0.979 300 G CA 0.623 45.758 45.100 0.058 0.000 0.641 300 G HN 0.677 nan 8.290 nan 0.000 0.530 301 H N 0.093 119.168 119.070 0.007 0.000 2.387 301 H HA 0.279 4.834 4.556 -0.000 0.000 0.299 301 H C 1.368 176.696 175.328 -0.001 0.000 1.090 301 H CA 1.432 57.482 56.048 0.003 0.000 1.332 301 H CB 0.014 29.778 29.762 0.004 0.000 1.386 301 H HN 0.459 nan 8.280 nan 0.000 0.516 302 I N 0.986 121.641 120.570 0.143 0.000 2.304 302 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 302 I C 1.432 177.565 176.117 0.026 0.000 1.018 302 I CA -0.068 61.273 61.300 0.067 0.000 1.260 302 I CB 1.838 39.868 38.000 0.050 0.000 1.390 302 I HN 0.324 nan 8.210 nan 0.000 0.475 303 G N 4.646 113.446 108.800 -0.001 0.000 2.448 303 G HA2 0.251 4.211 3.960 -0.000 0.000 0.218 303 G HA3 0.251 4.211 3.960 -0.000 0.000 0.218 303 G C 0.634 175.533 174.900 -0.002 0.000 1.135 303 G CA 0.580 45.678 45.100 -0.005 0.000 0.784 303 G HN 0.764 nan 8.290 nan 0.000 0.543 304 G N -1.891 106.905 108.800 -0.007 0.000 2.655 304 G HA2 0.440 4.400 3.960 -0.000 0.000 0.296 304 G HA3 0.440 4.400 3.960 -0.000 0.000 0.296 304 G C -2.295 172.603 174.900 -0.003 0.000 1.485 304 G CA -0.714 44.381 45.100 -0.008 0.000 0.869 304 G HN 0.177 nan 8.290 nan 0.000 0.540 305 Y N 1.077 121.271 120.300 -0.178 0.000 2.406 305 Y HA 0.764 5.314 4.550 -0.000 0.000 0.340 305 Y C -0.456 175.286 175.900 -0.264 0.000 0.975 305 Y CA -0.819 57.120 58.100 -0.269 0.000 1.056 305 Y CB 2.524 40.744 38.460 -0.401 0.000 1.210 305 Y HN 0.719 nan 8.280 nan 0.000 0.448 306 S N 3.922 119.211 115.700 -0.684 0.000 2.571 306 S HA 0.909 5.379 4.470 -0.000 0.000 0.284 306 S C -0.803 173.421 174.600 -0.627 0.000 1.128 306 S CA 0.148 58.059 58.200 -0.481 0.000 0.970 306 S CB 1.058 64.090 63.200 -0.281 0.000 1.039 306 S HN 1.293 nan 8.310 nan 0.000 0.485 307 G N 2.014 110.546 108.800 -0.446 0.000 2.576 307 G HA2 0.448 4.408 3.960 -0.000 0.000 0.290 307 G HA3 0.448 4.408 3.960 -0.000 0.000 0.290 307 G C -0.813 173.980 174.900 -0.178 0.000 1.442 307 G CA -0.455 44.434 45.100 -0.353 0.000 0.792 307 G HN 0.612 nan 8.290 nan 0.000 0.491 308 D N -1.568 118.782 120.400 -0.083 0.000 2.398 308 D HA 0.079 4.719 4.640 -0.000 0.000 0.210 308 D C 1.001 177.390 176.300 0.148 0.000 1.094 308 D CA 0.398 54.461 54.000 0.104 0.000 0.839 308 D CB 0.456 41.355 40.800 0.165 0.000 0.963 308 D HN 0.676 nan 8.370 nan 0.000 0.506 309 V N -2.437 117.429 119.914 -0.081 0.000 2.513 309 V HA 0.829 4.949 4.120 -0.000 0.000 0.299 309 V C -1.384 174.712 176.094 0.004 0.000 1.035 309 V CA -0.894 61.370 62.300 -0.061 0.000 0.889 309 V CB 1.241 32.945 31.823 -0.199 0.000 0.988 309 V HN 0.008 nan 8.190 nan 0.000 0.440 310 W N 1.044 122.341 121.300 -0.005 0.000 3.031 310 W HA 0.704 5.364 4.660 -0.000 0.000 0.337 310 W C -1.039 175.445 176.519 -0.057 0.000 1.187 310 W CA -0.571 56.732 57.345 -0.069 0.000 1.166 310 W CB 1.525 30.865 29.460 -0.200 0.000 1.437 310 W HN 0.687 nan 8.180 nan 0.000 0.551 311 D N 2.257 122.724 120.400 0.111 0.000 2.408 311 D HA 0.478 5.118 4.640 -0.000 0.000 0.243 311 D C -2.142 174.234 176.300 0.125 0.000 1.075 311 D CA -1.900 52.155 54.000 0.091 0.000 0.832 311 D CB 1.854 42.656 40.800 0.004 0.000 1.162 311 D HN -0.069 nan 8.370 nan 0.000 0.515 312 P HA 0.309 nan 4.420 nan 0.000 0.302 312 P C -1.007 176.404 177.300 0.184 0.000 1.307 312 P CA -0.562 62.618 63.100 0.135 0.000 0.754 312 P CB 1.027 32.761 31.700 0.057 0.000 1.298 313 Q N -0.655 119.293 119.800 0.246 0.000 2.323 313 Q HA 0.421 4.760 4.340 -0.000 0.000 0.271 313 Q C -2.479 173.551 176.000 0.050 0.000 1.048 313 Q CA -2.031 53.845 55.803 0.121 0.000 0.792 313 Q CB 1.815 30.639 28.738 0.144 0.000 1.280 313 Q HN 0.286 nan 8.270 nan 0.000 0.441 314 P HA -0.042 nan 4.420 nan 0.000 0.265 314 P C -1.049 176.204 177.300 -0.078 0.000 1.193 314 P CA 0.146 63.234 63.100 -0.021 0.000 0.765 314 P CB 0.463 32.177 31.700 0.025 0.000 0.823 315 A N 5.490 128.148 122.820 -0.270 0.000 2.492 315 A HA 0.334 4.654 4.320 -0.000 0.000 0.254 315 A C -1.856 175.623 177.584 -0.175 0.000 1.091 315 A CA -0.865 50.988 52.037 -0.305 0.000 0.768 315 A CB -1.210 17.235 19.000 -0.925 0.000 1.028 315 A HN 0.412 nan 8.150 nan 0.000 0.498 316 P HA 0.054 nan 4.420 nan 0.000 0.269 316 P C 0.897 178.221 177.300 0.040 0.000 1.217 316 P CA -0.316 62.799 63.100 0.025 0.000 0.783 316 P CB 0.564 32.300 31.700 0.059 0.000 0.898 317 K N 1.512 121.949 120.400 0.061 0.000 2.152 317 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 317 K C 0.863 177.612 176.600 0.248 0.000 1.048 317 K CA 1.875 58.235 56.287 0.121 0.000 0.933 317 K CB -0.231 32.332 32.500 0.105 0.000 0.721 317 K HN 0.536 nan 8.250 nan 0.000 0.447 318 D N -1.042 119.481 120.400 0.204 0.000 2.328 318 D HA -0.111 4.529 4.640 -0.000 0.000 0.226 318 D C 0.237 176.693 176.300 0.260 0.000 1.066 318 D CA -0.106 54.049 54.000 0.259 0.000 0.861 318 D CB -0.556 40.322 40.800 0.129 0.000 0.912 318 D HN 0.144 nan 8.370 nan 0.000 0.521 319 H N 2.243 121.390 119.070 0.129 0.000 3.107 319 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 319 H C -1.376 174.042 175.328 0.151 0.000 0.981 319 H CA -0.749 55.356 56.048 0.095 0.000 1.443 319 H CB 1.421 31.240 29.762 0.095 0.000 1.479 319 H HN 0.011 nan 8.280 nan 0.000 0.564 320 P HA -0.119 nan 4.420 nan 0.000 0.226 320 P C 1.166 178.723 177.300 0.428 0.000 1.153 320 P CA 0.673 63.930 63.100 0.260 0.000 0.777 320 P CB 0.010 31.787 31.700 0.128 0.000 0.794 321 W N 1.411 122.951 121.300 0.401 0.000 2.465 321 W HA 0.047 4.707 4.660 -0.000 0.000 0.268 321 W C 2.287 178.865 176.519 0.098 0.000 1.242 321 W CA 0.389 57.833 57.345 0.165 0.000 1.248 321 W CB -1.274 28.148 29.460 -0.064 0.000 1.118 321 W HN 0.063 nan 8.180 nan 0.000 0.587 322 R N -1.240 119.425 120.500 0.275 0.000 2.148 322 R HA -0.140 4.200 4.340 -0.000 0.000 0.227 322 R C 1.019 177.161 176.300 -0.263 0.000 1.103 322 R CA 1.459 57.464 56.100 -0.158 0.000 0.983 322 R CB -0.537 29.241 30.300 -0.870 0.000 0.874 322 R HN 0.277 nan 8.270 nan 0.000 0.451 323 Y N -0.220 120.235 120.300 0.259 0.000 2.527 323 Y HA 0.259 4.809 4.550 -0.000 0.000 0.247 323 Y C 0.675 176.660 175.900 0.140 0.000 1.138 323 Y CA -1.042 57.162 58.100 0.173 0.000 1.228 323 Y CB 0.327 38.875 38.460 0.147 0.000 1.252 323 Y HN -0.040 nan 8.280 nan 0.000 0.531 324 M N 1.359 121.099 119.600 0.233 0.000 2.228 324 M HA 0.434 4.914 4.480 -0.000 0.000 0.326 324 M C -2.642 173.727 176.300 0.116 0.000 1.122 324 M CA -1.855 53.539 55.300 0.157 0.000 1.161 324 M CB 0.069 32.736 32.600 0.111 0.000 1.437 324 M HN -0.225 nan 8.290 nan 0.000 0.465 325 P HA 0.156 nan 4.420 nan 0.000 0.271 325 P C -0.647 176.687 177.300 0.057 0.000 1.218 325 P CA 0.076 63.222 63.100 0.077 0.000 0.780 325 P CB 0.416 32.157 31.700 0.068 0.000 0.901 326 N N -1.887 116.848 118.700 0.058 0.000 2.900 326 N HA -0.184 4.556 4.740 -0.000 0.000 0.240 326 N C 0.064 175.594 175.510 0.033 0.000 0.953 326 N CA 1.135 54.210 53.050 0.042 0.000 0.950 326 N CB -1.548 36.958 38.487 0.031 0.000 1.102 326 N HN 0.675 nan 8.380 nan 0.000 0.593 327 Q N 0.341 120.167 119.800 0.042 0.000 2.330 327 Q HA 0.520 4.860 4.340 -0.000 0.000 0.279 327 Q C 0.177 176.198 176.000 0.035 0.000 1.024 327 Q CA 0.658 56.481 55.803 0.033 0.000 0.900 327 Q CB 0.808 29.571 28.738 0.042 0.000 1.221 327 Q HN 0.269 nan 8.270 nan 0.000 0.396 328 A N 4.992 127.811 122.820 -0.002 0.000 3.214 328 A HA 0.395 4.715 4.320 -0.000 0.000 0.304 328 A C -0.620 176.953 177.584 -0.019 0.000 0.969 328 A CA -0.804 51.236 52.037 0.005 0.000 0.986 328 A CB 0.096 19.092 19.000 -0.006 0.000 1.073 328 A HN 0.692 nan 8.150 nan 0.000 0.487 329 M N 1.214 120.830 119.600 0.026 0.000 2.247 329 M HA 0.441 4.921 4.480 -0.000 0.000 0.326 329 M C 0.671 177.064 176.300 0.155 0.000 1.134 329 M CA 0.268 55.604 55.300 0.060 0.000 1.136 329 M CB 0.773 33.442 32.600 0.116 0.000 1.454 329 M HN 0.631 nan 8.290 nan 0.000 0.467 330 T N -0.995 113.689 114.554 0.216 0.000 2.887 330 T HA 0.754 5.104 4.350 -0.000 0.000 0.292 330 T C -2.840 172.104 174.700 0.407 0.000 1.087 330 T CA -1.814 60.424 62.100 0.230 0.000 1.009 330 T CB 1.703 70.635 68.868 0.106 0.000 1.203 330 T HN 0.272 nan 8.240 nan 0.000 0.518 331 P HA 0.143 nan 4.420 nan 0.000 0.274 331 P C -0.487 177.000 177.300 0.311 0.000 1.264 331 P CA -0.378 62.832 63.100 0.184 0.000 0.795 331 P CB 0.017 31.712 31.700 -0.009 0.000 1.064 332 H N 0.156 119.344 119.070 0.197 0.000 3.291 332 H HA 0.117 4.673 4.556 -0.000 0.000 0.256 332 H C 0.338 175.789 175.328 0.204 0.000 1.315 332 H CA 0.056 56.265 56.048 0.268 0.000 1.521 332 H CB -0.170 29.781 29.762 0.316 0.000 1.621 332 H HN 0.353 nan 8.280 nan 0.000 0.498 333 T N -1.178 113.547 114.554 0.285 0.000 2.966 333 T HA -0.073 4.277 4.350 -0.000 0.000 0.254 333 T C 2.070 176.777 174.700 0.011 0.000 0.961 333 T CA 0.241 62.348 62.100 0.012 0.000 0.915 333 T CB -0.081 68.762 68.868 -0.040 0.000 1.186 333 T HN 0.462 nan 8.240 nan 0.000 0.505 334 S N 1.851 117.641 115.700 0.151 0.000 2.383 334 S HA 0.112 4.582 4.470 -0.000 0.000 0.227 334 S C 2.197 176.859 174.600 0.104 0.000 1.026 334 S CA 1.040 59.297 58.200 0.095 0.000 0.981 334 S CB -1.188 62.070 63.200 0.097 0.000 0.818 334 S HN 0.619 nan 8.310 nan 0.000 0.472 335 G N -0.216 108.724 108.800 0.232 0.000 2.985 335 G HA2 0.200 4.160 3.960 -0.000 0.000 0.209 335 G HA3 0.200 4.160 3.960 -0.000 0.000 0.209 335 G C 0.697 175.619 174.900 0.037 0.000 1.165 335 G CA 0.652 45.920 45.100 0.279 0.000 0.776 335 G HN 0.542 nan 8.290 nan 0.000 0.541 336 T N 1.171 115.532 114.554 -0.322 0.000 3.448 336 T HA 0.308 4.658 4.350 -0.000 0.000 0.271 336 T C 0.924 175.493 174.700 -0.218 0.000 1.002 336 T CA 0.039 61.884 62.100 -0.426 0.000 0.995 336 T CB -0.635 67.558 68.868 -1.125 0.000 1.153 336 T HN 0.262 nan 8.240 nan 0.000 0.510 337 T N 0.133 114.603 114.554 -0.141 0.000 2.802 337 T HA 0.266 4.616 4.350 -0.000 0.000 0.305 337 T C 1.890 176.510 174.700 -0.134 0.000 1.053 337 T CA -0.870 61.152 62.100 -0.131 0.000 1.058 337 T CB 0.506 69.317 68.868 -0.096 0.000 0.988 337 T HN 0.033 nan 8.240 nan 0.000 0.539 338 I N 1.115 121.605 120.570 -0.132 0.000 2.151 338 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 338 I C 2.236 178.276 176.117 -0.128 0.000 1.080 338 I CA 1.605 62.835 61.300 -0.117 0.000 1.339 338 I CB -1.330 36.606 38.000 -0.107 0.000 1.039 338 I HN 0.714 nan 8.210 nan 0.000 0.409 339 D N 1.073 121.408 120.400 -0.108 0.000 2.104 339 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 339 D C 2.230 178.460 176.300 -0.117 0.000 0.994 339 D CA 1.701 55.643 54.000 -0.098 0.000 0.830 339 D CB -0.052 40.707 40.800 -0.069 0.000 0.959 339 D HN 0.356 nan 8.370 nan 0.000 0.452 340 A N 1.084 123.839 122.820 -0.110 0.000 1.902 340 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 340 A C 2.196 179.564 177.584 -0.361 0.000 1.181 340 A CA 1.464 53.443 52.037 -0.096 0.000 0.623 340 A CB -0.654 18.362 19.000 0.027 0.000 0.818 340 A HN 0.214 nan 8.150 nan 0.000 0.443 341 Q N -0.350 119.136 119.800 -0.523 0.000 2.061 341 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 341 Q C 2.100 177.682 176.000 -0.696 0.000 0.984 341 Q CA 1.599 56.810 55.803 -0.986 0.000 0.846 341 Q CB -0.436 28.019 28.738 -0.472 0.000 0.902 341 Q HN 0.682 nan 8.270 nan 0.000 0.421 342 L N 0.261 121.268 121.223 -0.360 0.000 2.021 342 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 342 L C 2.589 179.326 176.870 -0.221 0.000 1.074 342 L CA 1.569 56.264 54.840 -0.242 0.000 0.760 342 L CB -0.433 41.533 42.059 -0.156 0.000 0.889 342 L HN 0.191 nan 8.230 nan 0.000 0.433 343 R N -0.793 119.590 120.500 -0.195 0.000 2.066 343 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 343 R C 2.418 178.690 176.300 -0.046 0.000 1.131 343 R CA 1.893 57.931 56.100 -0.103 0.000 0.955 343 R CB -0.567 29.705 30.300 -0.047 0.000 0.851 343 R HN 0.492 nan 8.270 nan 0.000 0.432 344 Y N -0.779 119.502 120.300 -0.032 0.000 2.373 344 Y HA 0.207 4.756 4.550 -0.000 0.000 0.293 344 Y C 2.078 177.938 175.900 -0.067 0.000 1.129 344 Y CA 0.083 58.167 58.100 -0.027 0.000 1.226 344 Y CB -0.747 37.735 38.460 0.037 0.000 1.000 344 Y HN -0.063 nan 8.280 nan 0.000 0.549 345 A N 1.542 124.335 122.820 -0.044 0.000 1.902 345 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 345 A C 2.515 180.030 177.584 -0.115 0.000 1.181 345 A CA 2.008 54.001 52.037 -0.074 0.000 0.623 345 A CB -1.344 17.545 19.000 -0.186 0.000 0.818 345 A HN 0.631 nan 8.150 nan 0.000 0.443 346 A N -0.676 122.066 122.820 -0.131 0.000 1.969 346 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 346 A C 2.316 179.815 177.584 -0.142 0.000 1.169 346 A CA 1.727 53.672 52.037 -0.154 0.000 0.635 346 A CB -1.117 17.804 19.000 -0.132 0.000 0.810 346 A HN 0.682 nan 8.150 nan 0.000 0.445 347 G N -1.301 107.443 108.800 -0.093 0.000 2.421 347 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 347 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 347 G C 1.507 176.314 174.900 -0.156 0.000 1.143 347 G CA 1.480 46.516 45.100 -0.107 0.000 0.784 347 G HN 0.415 nan 8.290 nan 0.000 0.541 348 T N 0.443 114.927 114.554 -0.116 0.000 2.737 348 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 348 T C 2.219 176.803 174.700 -0.194 0.000 1.038 348 T CA 1.420 63.436 62.100 -0.140 0.000 1.144 348 T CB -0.123 68.723 68.868 -0.037 0.000 0.866 348 T HN 0.333 nan 8.240 nan 0.000 0.434 349 K N 0.825 121.087 120.400 -0.230 0.000 2.074 349 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 349 K C 2.114 178.527 176.600 -0.312 0.000 1.048 349 K CA 2.030 58.083 56.287 -0.389 0.000 0.926 349 K CB -0.249 31.918 32.500 -0.555 0.000 0.713 349 K HN 0.265 nan 8.250 nan 0.000 0.444 350 D N -0.107 120.150 120.400 -0.238 0.000 2.117 350 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 350 D C 1.953 178.161 176.300 -0.154 0.000 0.987 350 D CA 1.487 55.392 54.000 -0.158 0.000 0.829 350 D CB 0.108 40.828 40.800 -0.133 0.000 0.961 350 D HN 0.220 nan 8.370 nan 0.000 0.460 351 M N -0.469 118.949 119.600 -0.303 0.000 2.132 351 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 351 M C 2.227 178.365 176.300 -0.272 0.000 1.065 351 M CA 0.832 55.808 55.300 -0.540 0.000 1.122 351 M CB -0.164 31.768 32.600 -1.112 0.000 1.365 351 M HN 0.144 nan 8.290 nan 0.000 0.411 352 L N -0.047 121.026 121.223 -0.250 0.000 1.989 352 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 352 L C 2.494 179.146 176.870 -0.363 0.000 1.071 352 L CA 1.706 56.346 54.840 -0.334 0.000 0.749 352 L CB -0.756 41.211 42.059 -0.153 0.000 0.890 352 L HN 0.378 nan 8.230 nan 0.000 0.431 353 E N 0.313 120.578 120.200 0.109 0.000 2.070 353 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 353 E C 2.343 179.053 176.600 0.183 0.000 1.004 353 E CA 1.454 58.035 56.400 0.302 0.000 0.805 353 E CB 0.057 29.976 29.700 0.366 0.000 0.744 353 E HN 0.373 nan 8.360 nan 0.000 0.451 354 R N -0.850 119.743 120.500 0.156 0.000 2.092 354 R HA -0.148 4.192 4.340 -0.000 0.000 0.231 354 R C 2.375 178.828 176.300 0.254 0.000 1.119 354 R CA 1.297 57.527 56.100 0.217 0.000 0.970 354 R CB -0.468 30.010 30.300 0.296 0.000 0.864 354 R HN 0.325 nan 8.270 nan 0.000 0.440 355 Y N 0.961 121.332 120.300 0.118 0.000 2.145 355 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 355 Y C 1.733 177.695 175.900 0.103 0.000 1.145 355 Y CA 1.283 59.439 58.100 0.094 0.000 1.148 355 Y CB -0.477 37.985 38.460 0.004 0.000 0.981 355 Y HN -0.071 nan 8.280 nan 0.000 0.507 356 F N 0.198 120.176 119.950 0.046 0.000 2.250 356 F HA -0.199 4.328 4.527 -0.000 0.000 0.301 356 F C 2.029 177.786 175.800 -0.072 0.000 1.077 356 F CA 1.159 59.118 58.000 -0.068 0.000 1.348 356 F CB -0.149 38.873 39.000 0.035 0.000 1.040 356 F HN -0.004 nan 8.300 nan 0.000 0.509 357 K N -0.223 120.266 120.400 0.147 0.000 2.374 357 K HA 0.190 4.510 4.320 -0.000 0.000 0.196 357 K C 1.237 177.857 176.600 0.033 0.000 1.023 357 K CA 0.533 56.872 56.287 0.087 0.000 1.103 357 K CB 0.505 33.069 32.500 0.106 0.000 0.848 357 K HN 0.259 nan 8.250 nan 0.000 0.528 358 G N 2.179 110.976 108.800 -0.006 0.000 2.147 358 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 358 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 358 G C -0.508 174.401 174.900 0.014 0.000 1.005 358 G CA 0.016 45.102 45.100 -0.024 0.000 0.713 358 G HN 0.366 nan 8.290 nan 0.000 0.515 359 E N 0.716 120.952 120.200 0.060 0.000 2.231 359 E HA 0.401 4.751 4.350 -0.000 0.000 0.277 359 E C -0.421 176.228 176.600 0.081 0.000 0.999 359 E CA -0.966 55.481 56.400 0.078 0.000 0.827 359 E CB 0.876 30.640 29.700 0.108 0.000 1.101 359 E HN 0.202 nan 8.360 nan 0.000 0.393 360 D N 1.741 122.178 120.400 0.062 0.000 2.472 360 D HA -0.003 4.637 4.640 -0.000 0.000 0.237 360 D C -0.196 176.238 176.300 0.223 0.000 1.141 360 D CA 0.445 54.494 54.000 0.082 0.000 0.875 360 D CB 0.307 41.173 40.800 0.110 0.000 1.192 360 D HN 0.140 nan 8.370 nan 0.000 0.450 361 F N 1.353 121.405 119.950 0.170 0.000 2.435 361 F HA 0.258 4.785 4.527 -0.000 0.000 0.316 361 F C -1.341 174.460 175.800 0.001 0.000 1.220 361 F CA -2.527 55.424 58.000 -0.082 0.000 1.241 361 F CB -1.181 37.505 39.000 -0.522 0.000 1.234 361 F HN 0.091 nan 8.300 nan 0.000 0.569 362 P HA 0.040 nan 4.420 nan 0.000 0.265 362 P C 0.845 178.240 177.300 0.158 0.000 1.193 362 P CA 0.318 63.490 63.100 0.120 0.000 0.765 362 P CB 0.238 31.969 31.700 0.052 0.000 0.823 363 T N -0.374 114.303 114.554 0.205 0.000 2.759 363 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 363 T C 1.287 176.139 174.700 0.253 0.000 1.042 363 T CA 1.276 63.553 62.100 0.294 0.000 1.140 363 T CB -0.636 68.342 68.868 0.184 0.000 0.864 363 T HN 0.533 nan 8.240 nan 0.000 0.455 364 E N 1.631 121.915 120.200 0.141 0.000 2.478 364 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 364 E C 1.193 177.843 176.600 0.083 0.000 1.046 364 E CA 0.658 57.123 56.400 0.108 0.000 0.870 364 E CB -0.579 29.164 29.700 0.073 0.000 0.818 364 E HN 0.447 nan 8.360 nan 0.000 0.527 365 N N 0.154 118.872 118.700 0.030 0.000 2.457 365 N HA -0.021 4.719 4.740 -0.000 0.000 0.180 365 N C -0.407 175.073 175.510 -0.051 0.000 1.050 365 N CA 0.363 53.376 53.050 -0.062 0.000 0.906 365 N CB -0.219 38.160 38.487 -0.181 0.000 0.968 365 N HN 0.241 nan 8.380 nan 0.000 0.445 366 Y N 0.359 120.731 120.300 0.120 0.000 2.359 366 Y HA 0.094 4.644 4.550 -0.000 0.000 0.334 366 Y C 1.405 177.330 175.900 0.042 0.000 1.058 366 Y CA -0.484 57.675 58.100 0.098 0.000 1.244 366 Y CB 0.823 39.326 38.460 0.073 0.000 1.187 366 Y HN -0.095 nan 8.280 nan 0.000 0.510 367 I N 2.392 123.049 120.570 0.145 0.000 2.810 367 I HA 0.041 4.211 4.170 -0.000 0.000 0.262 367 I C 0.234 176.340 176.117 -0.019 0.000 1.131 367 I CA 0.652 61.946 61.300 -0.010 0.000 1.453 367 I CB -0.109 37.768 38.000 -0.205 0.000 1.161 367 I HN 0.206 nan 8.210 nan 0.000 0.444 368 V N 2.211 122.143 119.914 0.030 0.000 2.483 368 V HA 0.452 4.572 4.120 -0.000 0.000 0.297 368 V C -0.249 175.869 176.094 0.039 0.000 1.027 368 V CA -0.797 61.509 62.300 0.009 0.000 0.855 368 V CB 2.584 34.391 31.823 -0.027 0.000 0.995 368 V HN 0.170 nan 8.190 nan 0.000 0.424 369 K N 2.886 123.265 120.400 -0.034 0.000 2.535 369 K HA 0.368 4.688 4.320 -0.000 0.000 0.251 369 K C -0.994 175.533 176.600 -0.122 0.000 0.942 369 K CA -0.562 55.645 56.287 -0.134 0.000 0.798 369 K CB 1.604 33.862 32.500 -0.402 0.000 1.267 369 K HN 0.708 nan 8.250 nan 0.000 0.434 370 D N 2.893 123.228 120.400 -0.108 0.000 2.686 370 D HA -0.199 4.441 4.640 -0.000 0.000 0.235 370 D C 0.649 176.919 176.300 -0.050 0.000 1.160 370 D CA 1.860 55.814 54.000 -0.077 0.000 0.645 370 D CB -1.202 39.541 40.800 -0.095 0.000 1.039 370 D HN 1.091 nan 8.370 nan 0.000 0.423 371 G N -0.514 108.264 108.800 -0.036 0.000 2.184 371 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 371 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 371 G C 0.045 174.933 174.900 -0.020 0.000 0.975 371 G CA 0.679 45.765 45.100 -0.023 0.000 0.642 371 G HN 0.518 nan 8.290 nan 0.000 0.536 372 E N -0.377 119.807 120.200 -0.026 0.000 2.199 372 E HA 0.564 4.914 4.350 -0.000 0.000 0.269 372 E C 0.064 176.660 176.600 -0.006 0.000 0.899 372 E CA -0.905 55.486 56.400 -0.014 0.000 0.772 372 E CB 1.893 31.583 29.700 -0.016 0.000 1.155 372 E HN 0.192 nan 8.360 nan 0.000 0.408 373 L N 2.079 123.309 121.223 0.011 0.000 2.380 373 L HA 0.257 4.597 4.340 -0.000 0.000 0.273 373 L C 0.522 177.429 176.870 0.062 0.000 1.138 373 L CA -0.341 54.514 54.840 0.026 0.000 0.832 373 L CB 0.867 42.958 42.059 0.053 0.000 1.124 373 L HN 0.634 nan 8.230 nan 0.000 0.454 374 A N 5.934 128.806 122.820 0.087 0.000 2.520 374 A HA 0.162 4.482 4.320 -0.000 0.000 0.235 374 A C -1.396 176.288 177.584 0.166 0.000 1.065 374 A CA -0.880 51.240 52.037 0.137 0.000 0.764 374 A CB -0.243 18.869 19.000 0.185 0.000 1.002 374 A HN 0.656 nan 8.150 nan 0.000 0.502 375 P HA -0.238 nan 4.420 nan 0.000 0.216 375 P C 1.265 178.622 177.300 0.095 0.000 1.150 375 P CA 1.612 64.769 63.100 0.095 0.000 0.837 375 P CB -0.050 31.689 31.700 0.066 0.000 0.786 376 Q N -1.001 118.861 119.800 0.103 0.000 2.437 376 Q HA -0.163 4.177 4.340 -0.000 0.000 0.210 376 Q C 1.108 177.048 176.000 -0.099 0.000 0.972 376 Q CA 1.434 57.244 55.803 0.011 0.000 0.903 376 Q CB -1.038 27.692 28.738 -0.014 0.000 0.967 376 Q HN 0.325 nan 8.270 nan 0.000 0.486 377 Y N 0.560 120.885 120.300 0.041 0.000 2.478 377 Y HA 0.287 4.837 4.550 -0.000 0.000 0.261 377 Y C 1.201 177.122 175.900 0.036 0.000 1.127 377 Y CA -0.295 57.829 58.100 0.039 0.000 1.288 377 Y CB 0.621 39.102 38.460 0.035 0.000 1.084 377 Y HN -0.003 nan 8.280 nan 0.000 0.530 378 R N 0.000 120.583 120.500 0.139 0.000 2.786 378 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 378 R CA 0.000 56.157 56.100 0.095 0.000 0.921 378 R CB 0.000 30.348 30.300 0.079 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535