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 2r5h_1_B DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.655 177.584 0.118 0.000 1.274 20 A CA 0.000 52.065 52.037 0.046 0.000 0.836 20 A CB 0.000 19.025 19.000 0.042 0.000 0.831 21 V N 1.964 121.861 119.914 -0.029 0.000 2.713 21 V HA 0.821 5.116 4.120 0.291 0.000 0.307 21 V C 0.171 176.235 176.094 -0.051 0.000 1.052 21 V CA -0.257 62.020 62.300 -0.038 0.000 0.967 21 V CB 1.661 33.170 31.823 -0.523 0.000 1.019 21 V HN 1.610 nan 8.190 nan 0.000 0.459 22 V N 0.258 120.256 119.914 0.139 0.000 2.817 22 V HA 0.606 4.901 4.120 0.291 0.000 0.303 22 V C -0.054 176.339 176.094 0.497 0.000 1.151 22 V CA -0.670 61.791 62.300 0.268 0.000 0.929 22 V CB 1.315 33.189 31.823 0.085 0.000 1.030 22 V HN 1.005 nan 8.190 nan 0.000 0.427 23 S N 3.050 119.094 115.700 0.573 0.000 3.129 23 S HA -0.094 4.550 4.470 0.291 0.000 0.371 23 S C 1.664 176.413 174.600 0.249 0.000 1.196 23 S CA 0.902 59.313 58.200 0.352 0.000 0.989 23 S CB 0.413 63.701 63.200 0.146 0.000 0.695 23 S HN 2.238 nan 8.310 nan 0.000 0.499 24 T N 1.256 115.906 114.554 0.160 0.000 2.946 24 T HA -0.117 4.407 4.350 0.291 0.000 0.271 24 T C 1.110 175.624 174.700 -0.310 0.000 1.104 24 T CA 1.378 63.273 62.100 -0.341 0.000 1.114 24 T CB -0.425 68.295 68.868 -0.248 0.000 0.867 24 T HN 0.677 nan 8.240 nan 0.000 0.513 25 D N 1.337 121.687 120.400 -0.083 0.000 2.354 25 D HA -0.052 4.763 4.640 0.291 0.000 0.216 25 D C 2.001 178.280 176.300 -0.036 0.000 0.970 25 D CA 0.770 54.735 54.000 -0.058 0.000 0.905 25 D CB -0.051 40.743 40.800 -0.009 0.000 0.903 25 D HN 0.685 nan 8.370 nan 0.000 0.508 26 E N -0.830 119.369 120.200 -0.002 0.000 2.024 26 E HA -0.100 4.424 4.350 0.291 0.000 0.190 26 E C 1.440 178.114 176.600 0.123 0.000 0.974 26 E CA 0.376 56.825 56.400 0.082 0.000 0.810 26 E CB -0.072 29.715 29.700 0.144 0.000 0.775 26 E HN 0.476 nan 8.360 nan 0.000 0.453 27 Y N -0.864 119.484 120.300 0.079 0.000 2.462 27 Y HA 0.387 5.112 4.550 0.291 0.000 0.293 27 Y C -0.094 175.908 175.900 0.171 0.000 1.195 27 Y CA -0.452 57.715 58.100 0.113 0.000 1.276 27 Y CB 0.186 38.724 38.460 0.130 0.000 1.082 27 Y HN -0.292 nan 8.280 nan 0.000 0.514 28 V N 1.746 121.617 119.914 -0.072 0.000 2.531 28 V HA 0.720 5.015 4.120 0.291 0.000 0.301 28 V C 0.022 176.104 176.094 -0.020 0.000 1.034 28 V CA -1.307 60.976 62.300 -0.029 0.000 0.865 28 V CB 1.194 32.909 31.823 -0.180 0.000 0.995 28 V HN 0.412 nan 8.190 nan 0.000 0.424 29 A N 5.674 128.504 122.820 0.018 0.000 2.401 29 A HA 0.674 5.169 4.320 0.291 0.000 0.259 29 A C 0.181 177.737 177.584 -0.047 0.000 1.103 29 A CA -0.292 51.741 52.037 -0.006 0.000 0.789 29 A CB 0.286 19.296 19.000 0.017 0.000 1.035 29 A HN 0.827 nan 8.150 nan 0.000 0.491 30 R N 1.181 121.650 120.500 -0.052 0.000 2.295 30 R HA 0.449 4.963 4.340 0.291 0.000 0.324 30 R C 0.213 176.447 176.300 -0.111 0.000 0.968 30 R CA -0.212 55.840 56.100 -0.080 0.000 0.837 30 R CB 1.675 31.944 30.300 -0.052 0.000 1.133 30 R HN 0.891 nan 8.270 nan 0.000 0.450 31 T N -1.162 113.281 114.554 -0.185 0.000 2.881 31 T HA 0.148 4.672 4.350 0.291 0.000 0.278 31 T C 0.585 175.111 174.700 -0.290 0.000 0.982 31 T CA -0.762 61.199 62.100 -0.232 0.000 0.989 31 T CB 1.005 69.654 68.868 -0.365 0.000 1.058 31 T HN 0.520 nan 8.240 nan 0.000 0.529 32 N N 1.156 119.706 118.700 -0.251 0.000 2.623 32 N HA 0.161 5.076 4.740 0.291 0.000 0.263 32 N C -0.717 174.574 175.510 -0.364 0.000 1.218 32 N CA -0.197 52.684 53.050 -0.281 0.000 0.949 32 N CB -0.114 38.304 38.487 -0.114 0.000 1.270 32 N HN 0.445 nan 8.380 nan 0.000 0.507 33 I N 1.459 121.723 120.570 -0.509 0.000 2.389 33 I HA 0.278 4.623 4.170 0.291 0.000 0.288 33 I C -0.713 175.276 176.117 -0.213 0.000 0.999 33 I CA -0.604 60.516 61.300 -0.301 0.000 1.129 33 I CB 0.653 38.494 38.000 -0.265 0.000 1.288 33 I HN 0.032 nan 8.210 nan 0.000 0.444 34 Y N 5.619 125.997 120.300 0.130 0.000 2.346 34 Y HA 0.450 5.174 4.550 0.291 0.000 0.332 34 Y C -0.822 175.140 175.900 0.103 0.000 0.985 34 Y CA -0.740 57.510 58.100 0.251 0.000 1.112 34 Y CB 2.235 40.853 38.460 0.264 0.000 1.170 34 Y HN 0.372 nan 8.280 nan 0.000 0.447 35 Y N 2.499 123.146 120.300 0.578 0.000 2.377 35 Y HA 0.301 5.025 4.550 0.291 0.000 0.339 35 Y C 0.045 176.059 175.900 0.190 0.000 1.011 35 Y CA -0.743 57.589 58.100 0.387 0.000 1.093 35 Y CB 1.181 39.867 38.460 0.376 0.000 1.201 35 Y HN 0.557 nan 8.280 nan 0.000 0.455 36 H N 2.438 121.627 119.070 0.199 0.000 2.483 36 H HA 0.846 5.577 4.556 0.291 0.000 0.338 36 H C -1.555 173.609 175.328 -0.274 0.000 1.152 36 H CA -0.658 55.366 56.048 -0.040 0.000 1.264 36 H CB 1.582 31.331 29.762 -0.020 0.000 1.510 36 H HN 0.798 nan 8.280 nan 0.000 0.530 37 A N 2.522 124.900 122.820 -0.737 0.000 2.532 37 A HA 0.580 5.074 4.320 0.291 0.000 0.296 37 A C -1.043 176.326 177.584 -0.359 0.000 1.058 37 A CA -0.002 51.794 52.037 -0.402 0.000 0.729 37 A CB 1.180 19.853 19.000 -0.546 0.000 1.285 37 A HN 0.971 nan 8.150 nan 0.000 0.396 38 G N 0.865 109.597 108.800 -0.112 0.000 2.766 38 G HA2 0.670 4.805 3.960 0.291 0.000 0.297 38 G HA3 0.670 4.805 3.960 0.291 0.000 0.297 38 G C -0.196 174.716 174.900 0.020 0.000 1.431 38 G CA 0.248 45.343 45.100 -0.010 0.000 1.042 38 G HN 1.818 nan 8.290 nan 0.000 0.542 39 T N -0.187 114.383 114.554 0.028 0.000 2.819 39 T HA 0.131 4.655 4.350 0.291 0.000 0.282 39 T C 1.849 176.559 174.700 0.016 0.000 1.013 39 T CA 0.779 62.892 62.100 0.021 0.000 1.159 39 T CB 0.797 69.651 68.868 -0.023 0.000 1.007 39 T HN 1.346 nan 8.240 nan 0.000 0.514 40 S N 3.007 118.735 115.700 0.047 0.000 2.382 40 S HA -0.089 4.555 4.470 0.291 0.000 0.228 40 S C 0.992 175.615 174.600 0.039 0.000 1.027 40 S CA 0.623 58.854 58.200 0.052 0.000 0.991 40 S CB -0.318 62.923 63.200 0.070 0.000 0.823 40 S HN 1.018 nan 8.310 nan 0.000 0.469 41 R N -0.196 120.332 120.500 0.047 0.000 3.325 41 R HA 0.278 4.792 4.340 0.291 0.000 0.296 41 R C -1.986 174.368 176.300 0.090 0.000 1.157 41 R CA -0.309 55.821 56.100 0.051 0.000 1.156 41 R CB 0.242 30.574 30.300 0.054 0.000 1.293 41 R HN 0.314 nan 8.270 nan 0.000 0.405 42 L N 4.045 125.318 121.223 0.083 0.000 2.375 42 L HA 0.532 5.046 4.340 0.291 0.000 0.271 42 L C -0.540 176.492 176.870 0.270 0.000 1.107 42 L CA -0.770 54.172 54.840 0.170 0.000 0.806 42 L CB 1.203 43.224 42.059 -0.062 0.000 1.146 42 L HN 0.480 nan 8.230 nan 0.000 0.447 43 L N 2.177 123.635 121.223 0.391 0.000 2.445 43 L HA 0.779 5.294 4.340 0.291 0.000 0.262 43 L C -0.812 176.273 176.870 0.358 0.000 0.974 43 L CA -0.129 54.892 54.840 0.301 0.000 0.822 43 L CB 2.046 44.215 42.059 0.184 0.000 1.339 43 L HN 0.652 nan 8.230 nan 0.000 0.409 44 A N 2.731 125.708 122.820 0.261 0.000 2.435 44 A HA 0.964 5.459 4.320 0.291 0.000 0.304 44 A C -1.745 175.866 177.584 0.047 0.000 1.064 44 A CA -0.589 51.549 52.037 0.168 0.000 0.727 44 A CB 2.061 21.204 19.000 0.238 0.000 1.284 44 A HN 0.468 nan 8.150 nan 0.000 0.415 45 V N 0.760 120.679 119.914 0.008 0.000 2.852 45 V HA 0.770 5.065 4.120 0.291 0.000 0.300 45 V C 0.368 176.457 176.094 -0.008 0.000 1.205 45 V CA 0.361 62.654 62.300 -0.011 0.000 0.940 45 V CB 1.781 33.607 31.823 0.004 0.000 1.047 45 V HN 1.753 nan 8.190 nan 0.000 0.429 46 G N 2.059 110.857 108.800 -0.003 0.000 2.753 46 G HA2 0.501 4.635 3.960 0.291 0.000 0.303 46 G HA3 0.501 4.635 3.960 0.291 0.000 0.303 46 G C -1.778 173.151 174.900 0.049 0.000 1.242 46 G CA -0.442 44.672 45.100 0.025 0.000 0.810 46 G HN 0.689 nan 8.290 nan 0.000 0.515 47 H N 1.564 120.605 119.070 -0.048 0.000 2.466 47 H HA 0.425 5.154 4.556 0.289 0.000 0.338 47 H C -1.653 173.594 175.328 -0.135 0.000 1.091 47 H CA -1.916 54.074 56.048 -0.097 0.000 1.207 47 H CB 2.943 32.583 29.762 -0.204 0.000 1.466 47 H HN 0.192 nan 8.280 nan 0.000 0.493 48 P HA -0.123 nan 4.420 nan 0.000 0.225 48 P C 0.043 177.067 177.300 -0.460 0.000 1.148 48 P CA 1.206 64.112 63.100 -0.322 0.000 0.779 48 P CB 0.325 31.684 31.700 -0.567 0.000 0.780 49 Y N -0.425 119.996 120.300 0.201 0.000 2.638 49 Y HA 0.274 4.997 4.550 0.288 0.000 0.275 49 Y C 1.218 177.197 175.900 0.131 0.000 1.122 49 Y CA -0.431 57.771 58.100 0.170 0.000 1.266 49 Y CB 0.113 38.722 38.460 0.249 0.000 1.317 49 Y HN -0.156 nan 8.280 nan 0.000 0.501 50 F N -1.714 118.392 119.950 0.259 0.000 2.693 50 F HA 0.754 5.453 4.527 0.287 0.000 0.309 50 F C -3.493 172.292 175.800 -0.026 0.000 1.129 50 F CA -3.296 54.742 58.000 0.063 0.000 0.948 50 F CB 0.847 39.846 39.000 -0.003 0.000 1.315 50 F HN -0.367 nan 8.300 nan 0.000 0.447 51 P HA 0.323 nan 4.420 nan 0.000 0.277 51 P C -0.732 176.663 177.300 0.159 0.000 1.240 51 P CA -0.136 63.026 63.100 0.103 0.000 0.798 51 P CB 1.726 33.482 31.700 0.093 0.000 0.979 52 I N 2.550 123.177 120.570 0.095 0.000 2.276 52 I HA 0.206 4.551 4.170 0.291 0.000 0.290 52 I C 1.145 177.307 176.117 0.075 0.000 1.109 52 I CA -0.080 61.286 61.300 0.109 0.000 1.229 52 I CB -0.437 37.629 38.000 0.110 0.000 1.452 52 I HN 0.309 nan 8.210 nan 0.000 0.497 53 K N 3.482 123.923 120.400 0.069 0.000 2.245 53 K HA 0.661 5.156 4.320 0.291 0.000 0.234 53 K C -0.114 176.507 176.600 0.035 0.000 1.021 53 K CA -1.339 54.973 56.287 0.042 0.000 0.898 53 K CB 1.056 33.574 32.500 0.030 0.000 1.163 53 K HN -0.013 nan 8.250 nan 0.000 0.459 54 K N 1.497 121.911 120.400 0.022 0.000 2.550 54 K HA -0.027 4.467 4.320 0.291 0.000 0.280 54 K C -1.695 174.912 176.600 0.012 0.000 0.987 54 K CA -0.922 55.375 56.287 0.017 0.000 1.048 54 K CB 0.335 32.842 32.500 0.010 0.000 0.879 54 K HN 0.401 nan 8.250 nan 0.000 0.491 55 P HA -0.171 nan 4.420 nan 0.000 0.218 55 P C -0.317 176.981 177.300 -0.003 0.000 1.148 55 P CA 1.699 64.800 63.100 0.003 0.000 0.822 55 P CB 0.050 31.751 31.700 0.003 0.000 0.784 56 N N -0.660 118.040 118.700 -0.001 0.000 2.511 56 N HA -0.054 4.861 4.740 0.291 0.000 0.190 56 N C 0.830 176.338 175.510 -0.004 0.000 1.037 56 N CA -0.087 52.961 53.050 -0.004 0.000 0.895 56 N CB -1.378 37.107 38.487 -0.003 0.000 1.149 56 N HN 0.060 nan 8.380 nan 0.000 0.437 57 N N 0.734 119.433 118.700 -0.001 0.000 2.399 57 N HA 0.023 4.938 4.740 0.291 0.000 0.250 57 N C -0.330 175.179 175.510 -0.001 0.000 1.272 57 N CA -0.264 52.785 53.050 -0.002 0.000 0.928 57 N CB 0.326 38.812 38.487 -0.001 0.000 1.158 57 N HN 0.381 nan 8.380 nan 0.000 0.463 58 N N 0.639 119.337 118.700 -0.003 0.000 2.401 58 N HA 0.048 4.962 4.740 0.291 0.000 0.264 58 N C -0.894 174.615 175.510 -0.002 0.000 1.238 58 N CA -0.331 52.718 53.050 -0.002 0.000 0.889 58 N CB 0.356 38.839 38.487 -0.006 0.000 1.196 58 N HN 0.445 nan 8.380 nan 0.000 0.511 59 K N 2.109 122.508 120.400 -0.001 0.000 2.227 59 K HA 0.240 4.735 4.320 0.291 0.000 0.280 59 K C 0.164 176.765 176.600 0.003 0.000 1.041 59 K CA -0.635 55.650 56.287 -0.004 0.000 0.905 59 K CB 1.080 33.577 32.500 -0.005 0.000 1.068 59 K HN 0.264 nan 8.250 nan 0.000 0.470 60 I N 3.918 124.489 120.570 0.001 0.000 2.483 60 I HA -0.012 4.332 4.170 0.291 0.000 0.291 60 I C 1.112 177.233 176.117 0.007 0.000 1.112 60 I CA -0.444 60.862 61.300 0.009 0.000 1.350 60 I CB 0.285 38.288 38.000 0.005 0.000 1.419 60 I HN 0.575 nan 8.210 nan 0.000 0.523 61 L N 7.378 128.612 121.223 0.017 0.000 2.093 61 L HA 0.197 4.712 4.340 0.291 0.000 0.208 61 L C 0.549 177.427 176.870 0.014 0.000 1.085 61 L CA 1.585 56.433 54.840 0.014 0.000 0.755 61 L CB 0.130 42.203 42.059 0.023 0.000 0.904 61 L HN 0.531 nan 8.230 nan 0.000 0.435 62 V N 0.673 120.603 119.914 0.026 0.000 2.925 62 V HA 0.573 4.867 4.120 0.291 0.000 0.311 62 V C -2.531 173.580 176.094 0.027 0.000 1.104 62 V CA -1.084 61.231 62.300 0.026 0.000 0.954 62 V CB 2.172 34.025 31.823 0.051 0.000 1.022 62 V HN 0.127 nan 8.190 nan 0.000 0.427 63 P HA 0.389 nan 4.420 nan 0.000 0.292 63 P C -1.460 175.855 177.300 0.025 0.000 1.313 63 P CA -1.135 61.971 63.100 0.009 0.000 0.965 63 P CB 1.640 33.325 31.700 -0.026 0.000 1.303 64 K N 0.722 121.140 120.400 0.030 0.000 2.472 64 K HA 0.226 4.721 4.320 0.291 0.000 0.280 64 K C -0.965 175.654 176.600 0.032 0.000 1.028 64 K CA 0.315 56.629 56.287 0.045 0.000 1.045 64 K CB -0.207 32.327 32.500 0.057 0.000 0.902 64 K HN 0.213 nan 8.250 nan 0.000 0.478 65 V N 3.953 123.890 119.914 0.039 0.000 2.538 65 V HA 0.092 4.386 4.120 0.291 0.000 0.265 65 V C -0.505 175.622 176.094 0.055 0.000 0.977 65 V CA -0.743 61.568 62.300 0.018 0.000 0.852 65 V CB 1.014 32.822 31.823 -0.025 0.000 1.058 65 V HN 0.814 nan 8.190 nan 0.000 0.462 66 S N 2.819 118.580 115.700 0.102 0.000 2.607 66 S HA 0.685 5.329 4.470 0.291 0.000 0.303 66 S C 1.124 175.844 174.600 0.200 0.000 1.086 66 S CA 0.200 58.531 58.200 0.218 0.000 0.995 66 S CB 2.061 65.328 63.200 0.112 0.000 1.084 66 S HN 0.887 nan 8.310 nan 0.000 0.507 67 G N 1.249 110.248 108.800 0.332 0.000 3.295 67 G HA2 0.259 4.393 3.960 0.291 0.000 0.231 67 G HA3 0.259 4.393 3.960 0.291 0.000 0.231 67 G C 0.219 175.193 174.900 0.123 0.000 1.277 67 G CA 0.005 45.240 45.100 0.225 0.000 1.013 67 G HN 0.650 nan 8.290 nan 0.000 0.509 68 L N -0.016 121.270 121.223 0.106 0.000 3.288 68 L HA 0.301 4.815 4.340 0.291 0.000 0.293 68 L C 0.004 176.914 176.870 0.066 0.000 1.294 68 L CA -0.186 54.690 54.840 0.061 0.000 1.006 68 L CB 0.428 42.520 42.059 0.055 0.000 1.407 68 L HN 0.198 nan 8.230 nan 0.000 0.592 69 Q N -0.590 119.265 119.800 0.091 0.000 2.333 69 Q HA 0.427 4.942 4.340 0.291 0.000 0.267 69 Q C -1.340 174.761 176.000 0.169 0.000 1.012 69 Q CA -0.970 54.916 55.803 0.139 0.000 0.824 69 Q CB 1.772 30.581 28.738 0.117 0.000 1.290 69 Q HN -0.007 nan 8.270 nan 0.000 0.449 70 Y N 1.252 121.579 120.300 0.045 0.000 2.544 70 Y HA 0.049 4.773 4.550 0.291 0.000 0.330 70 Y C 0.668 176.585 175.900 0.029 0.000 1.136 70 Y CA -0.110 58.020 58.100 0.050 0.000 1.417 70 Y CB 0.517 38.986 38.460 0.015 0.000 1.229 70 Y HN 0.304 nan 8.280 nan 0.000 0.532 71 R N 3.468 124.067 120.500 0.165 0.000 3.171 71 R HA 0.212 4.727 4.340 0.291 0.000 0.241 71 R C -1.217 174.975 176.300 -0.180 0.000 1.421 71 R CA -0.491 55.586 56.100 -0.039 0.000 1.444 71 R CB -0.300 29.986 30.300 -0.023 0.000 1.247 71 R HN 0.410 nan 8.270 nan 0.000 0.636 72 V N 4.881 124.729 119.914 -0.109 0.000 2.403 72 V HA 0.104 4.398 4.120 0.291 0.000 0.265 72 V C 0.459 176.426 176.094 -0.212 0.000 1.034 72 V CA 0.117 62.349 62.300 -0.112 0.000 1.036 72 V CB -0.554 31.217 31.823 -0.086 0.000 1.032 72 V HN 0.251 nan 8.190 nan 0.000 0.478 73 F N 4.127 124.093 119.950 0.026 0.000 2.399 73 F HA 0.564 5.265 4.527 0.290 0.000 0.334 73 F C 0.694 176.600 175.800 0.177 0.000 1.097 73 F CA -0.517 57.526 58.000 0.071 0.000 1.076 73 F CB 1.186 40.145 39.000 -0.069 0.000 1.162 73 F HN 0.331 nan 8.300 nan 0.000 0.495 74 R N 4.021 124.756 120.500 0.391 0.000 2.337 74 R HA 0.525 5.040 4.340 0.291 0.000 0.319 74 R C -1.541 174.748 176.300 -0.018 0.000 0.954 74 R CA -0.788 55.519 56.100 0.345 0.000 0.840 74 R CB 0.531 31.139 30.300 0.513 0.000 1.164 74 R HN 0.577 nan 8.270 nan 0.000 0.472 75 I N 5.070 125.567 120.570 -0.120 0.000 2.337 75 I HA 0.140 4.485 4.170 0.291 0.000 0.291 75 I C 0.206 176.064 176.117 -0.431 0.000 1.046 75 I CA -0.290 60.861 61.300 -0.248 0.000 1.324 75 I CB 0.702 38.535 38.000 -0.278 0.000 1.409 75 I HN 0.353 nan 8.210 nan 0.000 0.494 76 H N 7.476 126.510 119.070 -0.060 0.000 2.934 76 H HA 0.360 5.090 4.556 0.291 0.000 0.273 76 H C -0.257 174.962 175.328 -0.182 0.000 1.121 76 H CA -0.204 55.786 56.048 -0.096 0.000 1.451 76 H CB 0.496 30.235 29.762 -0.039 0.000 1.469 76 H HN 0.407 nan 8.280 nan 0.000 0.476 77 L N 6.290 127.410 121.223 -0.173 0.000 2.309 77 L HA 0.295 4.810 4.340 0.291 0.000 0.282 77 L C -1.912 174.714 176.870 -0.406 0.000 1.036 77 L CA -2.047 52.531 54.840 -0.438 0.000 0.806 77 L CB 1.672 43.406 42.059 -0.542 0.000 1.220 77 L HN 0.330 nan 8.230 nan 0.000 0.429 78 P HA -0.031 nan 4.420 nan 0.000 0.268 78 P C -0.907 176.294 177.300 -0.164 0.000 1.204 78 P CA -0.222 62.633 63.100 -0.408 0.000 0.768 78 P CB 0.599 31.912 31.700 -0.645 0.000 0.842 79 D N 5.055 125.458 120.400 0.005 0.000 2.363 79 D HA 0.008 4.822 4.640 0.291 0.000 0.263 79 D C -0.983 175.449 176.300 0.220 0.000 1.258 79 D CA -1.734 52.349 54.000 0.139 0.000 0.907 79 D CB 0.427 41.303 40.800 0.126 0.000 1.107 79 D HN 0.188 nan 8.370 nan 0.000 0.495 80 P HA -0.177 nan 4.420 nan 0.000 0.218 80 P C 0.468 177.933 177.300 0.274 0.000 1.149 80 P CA 0.826 64.068 63.100 0.237 0.000 0.817 80 P CB 0.179 31.652 31.700 -0.377 0.000 0.785 81 N N -0.058 118.759 118.700 0.195 0.000 2.666 81 N HA -0.084 4.830 4.740 0.291 0.000 0.194 81 N C 1.226 176.869 175.510 0.223 0.000 1.220 81 N CA 0.870 54.037 53.050 0.195 0.000 0.928 81 N CB -0.046 38.587 38.487 0.244 0.000 0.997 81 N HN 0.404 nan 8.380 nan 0.000 0.447 82 K N -1.252 119.285 120.400 0.227 0.000 2.590 82 K HA 0.088 4.583 4.320 0.291 0.000 0.218 82 K C -0.110 176.561 176.600 0.118 0.000 1.536 82 K CA -0.423 55.962 56.287 0.164 0.000 1.013 82 K CB 0.642 33.217 32.500 0.125 0.000 1.265 82 K HN -0.077 nan 8.250 nan 0.000 0.603 83 F N 2.043 121.959 119.950 -0.057 0.000 2.553 83 F HA 0.220 4.922 4.527 0.291 0.000 0.356 83 F C 0.953 176.578 175.800 -0.291 0.000 1.142 83 F CA -0.217 57.601 58.000 -0.304 0.000 1.322 83 F CB 0.648 39.291 39.000 -0.595 0.000 1.126 83 F HN 0.030 nan 8.300 nan 0.000 0.599 84 G N 6.346 114.398 108.800 -1.248 0.000 2.821 84 G HA2 0.229 4.363 3.960 0.291 0.000 0.289 84 G HA3 0.229 4.363 3.960 0.291 0.000 0.289 84 G C -0.917 173.374 174.900 -1.016 0.000 0.771 84 G CA -0.379 44.172 45.100 -0.914 0.000 1.908 84 G HN 0.447 nan 8.290 nan 0.000 0.539 85 F N 2.189 121.920 119.950 -0.364 0.000 2.404 85 F HA 0.327 5.029 4.527 0.291 0.000 0.339 85 F C -0.694 175.126 175.800 0.034 0.000 1.105 85 F CA -2.170 55.811 58.000 -0.032 0.000 1.087 85 F CB 2.339 41.490 39.000 0.251 0.000 1.143 85 F HN 0.260 nan 8.300 nan 0.000 0.491 86 P HA 0.054 nan 4.420 nan 0.000 0.255 86 P C -1.019 176.402 177.300 0.203 0.000 1.357 86 P CA 0.636 63.857 63.100 0.201 0.000 0.839 86 P CB 0.126 31.946 31.700 0.200 0.000 1.356 87 D N -0.984 119.572 120.400 0.260 0.000 2.663 87 D HA 0.240 5.054 4.640 0.291 0.000 0.233 87 D C -0.506 175.745 176.300 -0.081 0.000 1.240 87 D CA -0.398 53.676 54.000 0.124 0.000 0.774 87 D CB 0.826 41.734 40.800 0.182 0.000 1.443 87 D HN -0.171 nan 8.370 nan 0.000 0.441 88 T N -0.870 113.489 114.554 -0.324 0.000 3.516 88 T HA 0.258 4.783 4.350 0.291 0.000 0.300 88 T C 0.805 175.110 174.700 -0.658 0.000 0.995 88 T CA 0.304 62.041 62.100 -0.605 0.000 0.982 88 T CB -0.330 68.438 68.868 -0.166 0.000 1.199 88 T HN 0.251 nan 8.240 nan 0.000 0.481 89 S N 1.094 116.425 115.700 -0.616 0.000 2.456 89 S HA 0.068 4.712 4.470 0.291 0.000 0.224 89 S C 1.713 176.199 174.600 -0.190 0.000 1.035 89 S CA 0.042 58.061 58.200 -0.301 0.000 0.940 89 S CB -0.986 62.138 63.200 -0.127 0.000 0.799 89 S HN 0.552 nan 8.310 nan 0.000 0.508 90 F N 2.421 122.386 119.950 0.025 0.000 2.287 90 F HA 0.155 4.857 4.527 0.291 0.000 0.301 90 F C 0.809 176.661 175.800 0.086 0.000 1.069 90 F CA -0.658 57.352 58.000 0.017 0.000 1.372 90 F CB -1.426 37.553 39.000 -0.036 0.000 1.056 90 F HN 0.477 nan 8.300 nan 0.000 0.523 91 Y N -0.006 120.275 120.300 -0.031 0.000 2.669 91 Y HA 0.581 5.306 4.550 0.291 0.000 0.335 91 Y C -1.284 174.547 175.900 -0.115 0.000 1.116 91 Y CA -2.104 56.001 58.100 0.008 0.000 1.081 91 Y CB 1.093 39.648 38.460 0.159 0.000 1.297 91 Y HN -0.113 nan 8.280 nan 0.000 0.484 92 N N 2.998 121.381 118.700 -0.529 0.000 2.564 92 N HA 0.423 5.337 4.740 0.291 0.000 0.248 92 N C -2.340 172.742 175.510 -0.714 0.000 0.986 92 N CA -2.573 50.114 53.050 -0.604 0.000 0.921 92 N CB 1.616 39.948 38.487 -0.259 0.000 1.136 92 N HN 0.390 nan 8.380 nan 0.000 0.509 93 P HA -0.094 nan 4.420 nan 0.000 0.234 93 P C -0.360 176.806 177.300 -0.223 0.000 1.162 93 P CA 1.058 63.839 63.100 -0.532 0.000 0.759 93 P CB 0.392 31.853 31.700 -0.397 0.000 0.813 94 D N -1.221 119.046 120.400 -0.220 0.000 2.394 94 D HA -0.010 4.804 4.640 0.291 0.000 0.226 94 D C 1.647 177.886 176.300 -0.101 0.000 0.990 94 D CA 1.509 55.431 54.000 -0.130 0.000 0.902 94 D CB 0.015 40.745 40.800 -0.116 0.000 1.038 94 D HN 0.279 nan 8.370 nan 0.000 0.499 95 T N -1.328 113.163 114.554 -0.105 0.000 3.019 95 T HA 0.060 4.584 4.350 0.291 0.000 0.247 95 T C 1.044 175.699 174.700 -0.075 0.000 0.992 95 T CA -0.297 61.758 62.100 -0.075 0.000 1.036 95 T CB 0.404 69.238 68.868 -0.057 0.000 1.063 95 T HN 0.123 nan 8.240 nan 0.000 0.476 96 Q N 0.817 120.584 119.800 -0.055 0.000 2.257 96 Q HA 0.674 5.188 4.340 0.291 0.000 0.262 96 Q C -1.010 175.010 176.000 0.033 0.000 0.997 96 Q CA -1.144 54.653 55.803 -0.010 0.000 0.873 96 Q CB 1.793 30.572 28.738 0.067 0.000 1.312 96 Q HN 0.031 nan 8.270 nan 0.000 0.450 97 R N 1.935 122.370 120.500 -0.109 0.000 2.538 97 R HA 0.420 4.934 4.340 0.291 0.000 0.292 97 R C -0.798 175.441 176.300 -0.102 0.000 1.008 97 R CA -0.709 55.249 56.100 -0.237 0.000 0.896 97 R CB 1.631 31.317 30.300 -1.025 0.000 1.187 97 R HN 0.694 nan 8.270 nan 0.000 0.440 98 L N 3.060 124.205 121.223 -0.130 0.000 2.410 98 L HA 0.345 4.859 4.340 0.291 0.000 0.273 98 L C 0.153 177.047 176.870 0.040 0.000 1.152 98 L CA -0.310 54.424 54.840 -0.176 0.000 0.855 98 L CB 0.625 42.428 42.059 -0.426 0.000 1.129 98 L HN 0.166 nan 8.230 nan 0.000 0.463 99 V N 1.741 121.645 119.914 -0.016 0.000 2.914 99 V HA 0.413 4.708 4.120 0.291 0.000 0.314 99 V C -0.824 175.175 176.094 -0.159 0.000 1.084 99 V CA -0.722 61.620 62.300 0.069 0.000 0.963 99 V CB 2.349 34.276 31.823 0.175 0.000 1.025 99 V HN 0.631 nan 8.190 nan 0.000 0.432 100 W N 1.467 122.755 121.300 -0.021 0.000 2.512 100 W HA 0.742 5.577 4.660 0.292 0.000 0.335 100 W C 0.061 176.573 176.519 -0.012 0.000 1.088 100 W CA -0.324 57.003 57.345 -0.030 0.000 1.236 100 W CB 1.737 31.107 29.460 -0.149 0.000 1.307 100 W HN 0.683 nan 8.180 nan 0.000 0.567 101 A N 2.486 125.577 122.820 0.451 0.000 2.371 101 A HA 0.653 5.148 4.320 0.291 0.000 0.311 101 A C -1.426 176.416 177.584 0.430 0.000 1.068 101 A CA -0.586 51.617 52.037 0.277 0.000 0.744 101 A CB 1.104 20.172 19.000 0.112 0.000 1.239 101 A HN 0.712 nan 8.150 nan 0.000 0.435 102 C N 2.232 121.657 119.300 0.208 0.000 2.376 102 C HA 0.729 5.364 4.460 0.291 0.000 0.335 102 C C 1.261 176.162 174.990 -0.149 0.000 1.229 102 C CA 0.420 59.449 59.018 0.018 0.000 1.867 102 C CB 0.631 28.361 27.740 -0.016 0.000 2.319 102 C HN 1.276 nan 8.230 nan 0.000 0.515 103 V N 2.693 122.461 119.914 -0.244 0.000 3.245 103 V HA 0.508 4.803 4.120 0.291 0.000 0.246 103 V C 0.700 176.629 176.094 -0.275 0.000 1.487 103 V CA 0.746 62.880 62.300 -0.275 0.000 1.154 103 V CB -0.721 30.888 31.823 -0.356 0.000 0.971 103 V HN 0.981 nan 8.190 nan 0.000 0.443 104 G N -0.033 108.549 108.800 -0.364 0.000 2.448 104 G HA2 0.668 4.802 3.960 0.291 0.000 0.324 104 G HA3 0.668 4.802 3.960 0.291 0.000 0.324 104 G C -1.630 172.991 174.900 -0.465 0.000 1.203 104 G CA -0.715 44.204 45.100 -0.302 0.000 0.954 104 G HN 0.501 nan 8.290 nan 0.000 0.480 105 V N 1.008 120.560 119.914 -0.603 0.000 2.789 105 V HA 0.432 4.726 4.120 0.291 0.000 0.300 105 V C -0.976 174.577 176.094 -0.902 0.000 1.184 105 V CA -0.748 61.136 62.300 -0.694 0.000 0.930 105 V CB 2.021 33.643 31.823 -0.334 0.000 1.041 105 V HN 0.873 nan 8.190 nan 0.000 0.430 106 E N 3.417 123.066 120.200 -0.918 0.000 2.241 106 E HA 0.516 5.041 4.350 0.291 0.000 0.263 106 E C -1.453 174.751 176.600 -0.661 0.000 0.882 106 E CA -0.514 55.330 56.400 -0.927 0.000 0.769 106 E CB 2.320 31.590 29.700 -0.717 0.000 1.185 106 E HN 0.441 nan 8.360 nan 0.000 0.415 107 V N 4.755 124.397 119.914 -0.455 0.000 2.162 107 V HA 0.246 4.540 4.120 0.291 0.000 0.255 107 V C 0.774 176.828 176.094 -0.066 0.000 1.304 107 V CA -0.059 62.169 62.300 -0.119 0.000 1.198 107 V CB 0.273 32.314 31.823 0.363 0.000 1.333 107 V HN 0.687 nan 8.190 nan 0.000 0.493 108 G N 3.861 112.552 108.800 -0.181 0.000 2.544 108 G HA2 0.421 4.556 3.960 0.291 0.000 0.242 108 G HA3 0.421 4.556 3.960 0.291 0.000 0.242 108 G C -0.152 174.658 174.900 -0.151 0.000 1.247 108 G CA -0.380 44.643 45.100 -0.128 0.000 0.840 108 G HN 0.440 nan 8.290 nan 0.000 0.578 109 R N 0.385 120.790 120.500 -0.158 0.000 2.510 109 R HA 0.328 4.843 4.340 0.291 0.000 0.294 109 R C 0.317 176.511 176.300 -0.177 0.000 1.056 109 R CA -0.565 55.371 56.100 -0.274 0.000 0.918 109 R CB 1.734 31.864 30.300 -0.284 0.000 1.187 109 R HN 0.661 nan 8.270 nan 0.000 0.437 110 G N 1.831 110.516 108.800 -0.192 0.000 3.609 110 G HA2 0.112 4.247 3.960 0.291 0.000 0.280 110 G HA3 0.112 4.247 3.960 0.291 0.000 0.280 110 G C -0.018 174.830 174.900 -0.086 0.000 1.155 110 G CA 0.026 45.060 45.100 -0.110 0.000 0.876 110 G HN 0.210 nan 8.290 nan 0.000 0.535 111 Q N 0.469 120.210 119.800 -0.097 0.000 2.421 111 Q HA 0.346 4.861 4.340 0.291 0.000 0.280 111 Q C -2.758 173.221 176.000 -0.035 0.000 1.085 111 Q CA -1.840 53.930 55.803 -0.054 0.000 0.807 111 Q CB 3.006 31.706 28.738 -0.063 0.000 1.405 111 Q HN 0.052 nan 8.270 nan 0.000 0.419 112 P HA 0.026 nan 4.420 nan 0.000 0.265 112 P C -0.308 176.991 177.300 -0.001 0.000 1.193 112 P CA -0.357 62.739 63.100 -0.006 0.000 0.765 112 P CB 0.491 32.191 31.700 -0.000 0.000 0.823 113 L N 2.458 123.682 121.223 0.002 0.000 2.482 113 L HA 0.518 5.033 4.340 0.291 0.000 0.273 113 L C 1.459 178.335 176.870 0.009 0.000 1.228 113 L CA 1.224 56.070 54.840 0.009 0.000 0.827 113 L CB -0.790 41.278 42.059 0.014 0.000 1.099 113 L HN 0.828 nan 8.230 nan 0.000 0.494 114 G N 0.181 108.988 108.800 0.012 0.000 2.325 114 G HA2 0.515 4.650 3.960 0.291 0.000 0.297 114 G HA3 0.515 4.650 3.960 0.291 0.000 0.297 114 G C -1.643 173.256 174.900 -0.001 0.000 1.448 114 G CA -0.136 44.966 45.100 0.003 0.000 0.838 114 G HN 0.712 nan 8.290 nan 0.000 0.579 115 V N -1.394 118.512 119.914 -0.013 0.000 2.715 115 V HA 0.996 5.290 4.120 0.291 0.000 0.310 115 V C 0.621 176.679 176.094 -0.061 0.000 1.054 115 V CA -0.114 62.172 62.300 -0.022 0.000 0.928 115 V CB 1.464 33.281 31.823 -0.010 0.000 1.007 115 V HN 1.748 nan 8.190 nan 0.000 0.437 116 G N 2.403 111.156 108.800 -0.078 0.000 2.410 116 G HA2 0.710 4.845 3.960 0.291 0.000 0.330 116 G HA3 0.710 4.845 3.960 0.291 0.000 0.330 116 G C -1.109 173.733 174.900 -0.097 0.000 1.142 116 G CA -0.756 44.269 45.100 -0.125 0.000 0.902 116 G HN 0.974 nan 8.290 nan 0.000 0.491 117 I N 0.163 120.680 120.570 -0.087 0.000 2.646 117 I HA 0.672 5.016 4.170 0.291 0.000 0.299 117 I C -0.408 175.724 176.117 0.024 0.000 1.036 117 I CA -0.589 60.665 61.300 -0.077 0.000 1.074 117 I CB 2.229 40.211 38.000 -0.030 0.000 1.258 117 I HN 0.496 nan 8.210 nan 0.000 0.430 118 S N 2.848 118.538 115.700 -0.017 0.000 2.627 118 S HA 0.951 5.595 4.470 0.291 0.000 0.283 118 S C -0.596 174.119 174.600 0.190 0.000 1.127 118 S CA -0.579 57.826 58.200 0.341 0.000 0.863 118 S CB 2.067 65.442 63.200 0.292 0.000 1.121 118 S HN 0.961 nan 8.310 nan 0.000 0.479 119 G N 0.459 109.412 108.800 0.254 0.000 2.576 119 G HA2 0.513 4.648 3.960 0.291 0.000 0.290 119 G HA3 0.513 4.648 3.960 0.291 0.000 0.290 119 G C -2.315 172.621 174.900 0.060 0.000 1.442 119 G CA -0.486 44.682 45.100 0.113 0.000 0.792 119 G HN 0.603 nan 8.290 nan 0.000 0.491 120 H N 1.037 120.127 119.070 0.035 0.000 2.589 120 H HA 0.435 5.167 4.556 0.293 0.000 0.335 120 H C -1.975 173.339 175.328 -0.024 0.000 1.019 120 H CA -1.819 54.232 56.048 0.005 0.000 1.213 120 H CB 2.845 32.615 29.762 0.014 0.000 1.472 120 H HN 0.117 nan 8.280 nan 0.000 0.508 121 P HA -0.049 nan 4.420 nan 0.000 0.220 121 P C 0.054 177.486 177.300 0.219 0.000 1.148 121 P CA 1.097 64.229 63.100 0.053 0.000 0.803 121 P CB 0.250 31.912 31.700 -0.063 0.000 0.782 122 L N -1.479 120.081 121.223 0.561 0.000 2.679 122 L HA 0.354 4.869 4.340 0.291 0.000 0.238 122 L C -0.286 176.469 176.870 -0.190 0.000 1.330 122 L CA -1.002 53.915 54.840 0.128 0.000 0.935 122 L CB 0.348 42.426 42.059 0.033 0.000 1.243 122 L HN -0.168 nan 8.230 nan 0.000 0.484 123 L N 1.711 122.885 121.223 -0.082 0.000 2.367 123 L HA 0.244 4.759 4.340 0.291 0.000 0.275 123 L C 0.846 177.629 176.870 -0.146 0.000 1.129 123 L CA 0.392 55.131 54.840 -0.168 0.000 0.839 123 L CB 0.569 42.629 42.059 0.001 0.000 1.133 123 L HN 0.374 nan 8.230 nan 0.000 0.453 124 N N 5.349 123.924 118.700 -0.209 0.000 2.598 124 N HA -0.035 4.880 4.740 0.291 0.000 0.300 124 N C -0.847 174.639 175.510 -0.040 0.000 1.224 124 N CA 0.305 53.261 53.050 -0.157 0.000 1.125 124 N CB -0.316 38.042 38.487 -0.216 0.000 1.468 124 N HN 0.526 nan 8.380 nan 0.000 0.504 125 K N 3.476 123.859 120.400 -0.029 0.000 2.345 125 K HA 0.154 4.649 4.320 0.291 0.000 0.255 125 K C 0.117 176.664 176.600 -0.089 0.000 0.934 125 K CA -0.609 55.683 56.287 0.009 0.000 0.801 125 K CB 1.655 34.009 32.500 -0.243 0.000 1.137 125 K HN 0.218 nan 8.250 nan 0.000 0.424 126 L N 3.075 124.267 121.223 -0.052 0.000 2.117 126 L HA 0.155 4.670 4.340 0.291 0.000 0.200 126 L C -0.102 176.710 176.870 -0.096 0.000 1.110 126 L CA 1.771 56.574 54.840 -0.061 0.000 0.774 126 L CB -0.108 41.935 42.059 -0.027 0.000 0.934 126 L HN 0.900 nan 8.230 nan 0.000 0.456 127 D N -2.450 117.901 120.400 -0.081 0.000 2.652 127 D HA 0.325 5.140 4.640 0.291 0.000 0.285 127 D C -1.471 174.820 176.300 -0.014 0.000 1.173 127 D CA -0.663 53.301 54.000 -0.061 0.000 0.981 127 D CB 0.347 41.138 40.800 -0.015 0.000 1.440 127 D HN 0.059 nan 8.370 nan 0.000 0.485 128 D N -2.079 118.349 120.400 0.046 0.000 2.210 128 D HA 0.455 5.270 4.640 0.291 0.000 0.249 128 D C 0.473 176.847 176.300 0.123 0.000 1.062 128 D CA -0.437 53.669 54.000 0.177 0.000 0.891 128 D CB 1.376 42.273 40.800 0.162 0.000 1.186 128 D HN 0.408 nan 8.370 nan 0.000 0.432 129 T N -0.405 114.231 114.554 0.136 0.000 3.003 129 T HA 0.073 4.598 4.350 0.291 0.000 0.261 129 T C 1.364 176.082 174.700 0.029 0.000 1.003 129 T CA -0.186 61.969 62.100 0.093 0.000 0.917 129 T CB -0.103 68.871 68.868 0.176 0.000 1.084 129 T HN 0.543 nan 8.240 nan 0.000 0.522 130 E N 2.219 122.436 120.200 0.028 0.000 2.209 130 E HA -0.144 4.380 4.350 0.291 0.000 0.196 130 E C 0.307 176.900 176.600 -0.012 0.000 0.993 130 E CA 0.852 57.248 56.400 -0.006 0.000 0.819 130 E CB 0.118 29.829 29.700 0.017 0.000 0.745 130 E HN 0.553 nan 8.360 nan 0.000 0.477 131 N N -1.196 117.505 118.700 0.003 0.000 3.186 131 N HA 0.257 5.172 4.740 0.291 0.000 0.230 131 N C -1.763 173.744 175.510 -0.005 0.000 1.062 131 N CA 0.182 53.226 53.050 -0.009 0.000 1.084 131 N CB 1.201 39.687 38.487 -0.003 0.000 1.662 131 N HN 0.131 nan 8.380 nan 0.000 0.627 132 A N 1.446 124.251 122.820 -0.024 0.000 2.392 132 A HA 0.816 5.310 4.320 0.291 0.000 0.283 132 A C 0.473 178.044 177.584 -0.021 0.000 1.197 132 A CA 0.153 52.175 52.037 -0.025 0.000 0.895 132 A CB 0.868 19.837 19.000 -0.052 0.000 1.400 132 A HN 1.017 nan 8.150 nan 0.000 0.461 133 S N -1.848 113.844 115.700 -0.014 0.000 2.628 133 S HA 0.620 5.265 4.470 0.291 0.000 0.246 133 S C 0.227 174.829 174.600 0.004 0.000 1.062 133 S CA 0.597 58.794 58.200 -0.004 0.000 1.028 133 S CB 0.256 63.458 63.200 0.003 0.000 0.985 133 S HN 2.149 nan 8.310 nan 0.000 0.551 134 A N 0.529 123.353 122.820 0.007 0.000 2.608 134 A HA 0.620 5.115 4.320 0.291 0.000 0.292 134 A C -1.529 176.092 177.584 0.061 0.000 1.066 134 A CA -0.794 51.264 52.037 0.036 0.000 0.676 134 A CB 0.164 19.193 19.000 0.047 0.000 1.277 134 A HN 0.311 nan 8.150 nan 0.000 0.413 135 Y N 1.725 122.027 120.300 0.003 0.000 2.717 135 Y HA 0.270 4.994 4.550 0.291 0.000 0.330 135 Y C 1.189 177.088 175.900 -0.001 0.000 1.217 135 Y CA 0.880 58.981 58.100 0.001 0.000 1.506 135 Y CB 0.481 38.940 38.460 -0.002 0.000 1.268 135 Y HN 1.044 nan 8.280 nan 0.000 0.561 136 A N 5.373 128.374 122.820 0.300 0.000 2.584 136 A HA 0.315 4.809 4.320 0.291 0.000 0.239 136 A C 0.320 178.008 177.584 0.173 0.000 1.043 136 A CA 0.110 52.267 52.037 0.201 0.000 0.756 136 A CB -0.517 18.582 19.000 0.165 0.000 0.963 136 A HN 1.004 nan 8.150 nan 0.000 0.511 137 A N 3.892 126.761 122.820 0.082 0.000 2.445 137 A HA 0.386 4.880 4.320 0.291 0.000 0.242 137 A C 0.734 178.334 177.584 0.027 0.000 1.075 137 A CA -0.285 51.775 52.037 0.039 0.000 0.777 137 A CB -0.207 18.804 19.000 0.019 0.000 1.013 137 A HN 0.971 nan 8.150 nan 0.000 0.493 138 N N -0.195 118.507 118.700 0.003 0.000 2.237 138 N HA 0.295 5.210 4.740 0.291 0.000 0.222 138 N C 0.072 175.579 175.510 -0.006 0.000 1.311 138 N CA 1.272 54.318 53.050 -0.008 0.000 0.880 138 N CB 0.168 38.640 38.487 -0.024 0.000 1.106 138 N HN 0.832 nan 8.380 nan 0.000 0.435 139 A N 0.309 123.122 122.820 -0.012 0.000 2.280 139 A HA 0.577 5.072 4.320 0.291 0.000 0.320 139 A C 1.258 178.830 177.584 -0.020 0.000 1.366 139 A CA -0.260 51.767 52.037 -0.017 0.000 0.938 139 A CB -0.362 18.626 19.000 -0.020 0.000 1.157 139 A HN 0.671 nan 8.150 nan 0.000 0.536 140 G N 1.349 110.137 108.800 -0.020 0.000 2.844 140 G HA2 0.068 4.202 3.960 0.291 0.000 0.438 140 G HA3 0.068 4.202 3.960 0.291 0.000 0.438 140 G C 0.327 175.213 174.900 -0.023 0.000 0.963 140 G CA 1.300 46.388 45.100 -0.021 0.000 0.981 140 G HN 1.177 nan 8.290 nan 0.000 0.951 141 V N -0.148 119.751 119.914 -0.025 0.000 2.925 141 V HA 0.486 4.780 4.120 0.291 0.000 0.311 141 V C -0.404 175.671 176.094 -0.031 0.000 1.104 141 V CA 0.271 62.554 62.300 -0.028 0.000 0.954 141 V CB 1.843 33.651 31.823 -0.025 0.000 1.022 141 V HN 0.882 nan 8.190 nan 0.000 0.427 142 D N 2.642 123.020 120.400 -0.037 0.000 2.828 142 D HA -0.168 4.647 4.640 0.291 0.000 0.241 142 D C 0.664 176.940 176.300 -0.041 0.000 1.142 142 D CA 0.857 54.832 54.000 -0.041 0.000 0.755 142 D CB -0.672 40.107 40.800 -0.035 0.000 1.014 142 D HN 0.772 nan 8.370 nan 0.000 0.420 143 N N 0.131 118.804 118.700 -0.046 0.000 2.398 143 N HA 0.023 4.938 4.740 0.291 0.000 0.188 143 N C 0.192 175.665 175.510 -0.061 0.000 1.122 143 N CA -0.111 52.910 53.050 -0.049 0.000 0.866 143 N CB 0.248 38.706 38.487 -0.048 0.000 0.970 143 N HN 0.308 nan 8.380 nan 0.000 0.462 144 R N 1.786 122.246 120.500 -0.066 0.000 2.474 144 R HA -0.089 4.425 4.340 0.291 0.000 0.275 144 R C 0.112 176.374 176.300 -0.063 0.000 0.945 144 R CA 0.858 56.913 56.100 -0.075 0.000 1.115 144 R CB 0.021 30.275 30.300 -0.075 0.000 0.874 144 R HN 0.401 nan 8.270 nan 0.000 0.421 145 E N 1.173 121.331 120.200 -0.069 0.000 2.431 145 E HA 0.212 4.737 4.350 0.291 0.000 0.268 145 E C -0.917 175.673 176.600 -0.017 0.000 0.953 145 E CA -0.949 55.420 56.400 -0.051 0.000 0.810 145 E CB 1.476 31.124 29.700 -0.086 0.000 1.369 145 E HN 0.489 nan 8.360 nan 0.000 0.440 146 C N 2.028 121.324 119.300 -0.006 0.000 2.322 146 C HA 0.530 5.165 4.460 0.291 0.000 0.343 146 C C -0.234 174.766 174.990 0.016 0.000 1.190 146 C CA -0.123 58.906 59.018 0.019 0.000 1.704 146 C CB -2.191 25.552 27.740 0.006 0.000 2.293 146 C HN 0.409 nan 8.230 nan 0.000 0.523 147 I N 5.627 126.229 120.570 0.054 0.000 2.730 147 I HA 0.539 4.883 4.170 0.291 0.000 0.298 147 I C -0.052 176.129 176.117 0.108 0.000 1.089 147 I CA -0.072 61.275 61.300 0.079 0.000 1.041 147 I CB 2.614 40.683 38.000 0.115 0.000 1.235 147 I HN 0.673 nan 8.210 nan 0.000 0.423 148 S N 5.405 121.163 115.700 0.097 0.000 2.632 148 S HA 0.882 5.527 4.470 0.291 0.000 0.289 148 S C -0.606 174.025 174.600 0.051 0.000 1.115 148 S CA -0.780 57.464 58.200 0.074 0.000 0.889 148 S CB 2.583 65.810 63.200 0.044 0.000 1.116 148 S HN 0.660 nan 8.310 nan 0.000 0.486 149 M N -0.449 119.126 119.600 -0.041 0.000 3.502 149 M HA 0.656 5.310 4.480 0.291 0.000 0.310 149 M C -2.226 173.936 176.300 -0.229 0.000 1.458 149 M CA -0.695 54.539 55.300 -0.108 0.000 0.782 149 M CB 0.589 33.130 32.600 -0.100 0.000 1.942 149 M HN 0.684 nan 8.290 nan 0.000 0.438 150 D N 0.720 120.982 120.400 -0.230 0.000 2.542 150 D HA 0.426 5.241 4.640 0.291 0.000 0.252 150 D C -1.218 174.981 176.300 -0.168 0.000 1.222 150 D CA -0.213 53.658 54.000 -0.214 0.000 0.895 150 D CB 0.573 41.311 40.800 -0.102 0.000 1.207 150 D HN 0.576 nan 8.370 nan 0.000 0.558 151 Y N 1.126 121.410 120.300 -0.026 0.000 2.546 151 Y HA -0.064 4.662 4.550 0.293 0.000 0.351 151 Y C 1.767 177.644 175.900 -0.037 0.000 1.266 151 Y CA -0.483 57.590 58.100 -0.044 0.000 1.487 151 Y CB 0.854 39.319 38.460 0.008 0.000 1.365 151 Y HN 0.284 nan 8.280 nan 0.000 0.642 152 K N 2.526 123.013 120.400 0.145 0.000 2.451 152 K HA -0.043 4.451 4.320 0.291 0.000 0.280 152 K C -0.579 176.084 176.600 0.105 0.000 1.020 152 K CA -0.308 56.033 56.287 0.090 0.000 1.008 152 K CB 0.426 32.964 32.500 0.064 0.000 0.917 152 K HN 0.641 nan 8.250 nan 0.000 0.478 153 Q N 2.694 122.551 119.800 0.095 0.000 2.263 153 Q HA 0.042 4.557 4.340 0.291 0.000 0.270 153 Q C -0.880 175.173 176.000 0.089 0.000 1.104 153 Q CA 0.390 56.247 55.803 0.090 0.000 0.909 153 Q CB 0.758 29.545 28.738 0.082 0.000 1.214 153 Q HN 0.629 nan 8.270 nan 0.000 0.400 154 T N 4.078 118.686 114.554 0.091 0.000 2.812 154 T HA 0.352 4.877 4.350 0.291 0.000 0.282 154 T C -0.800 173.966 174.700 0.109 0.000 0.990 154 T CA -0.643 61.514 62.100 0.096 0.000 0.960 154 T CB 1.552 70.471 68.868 0.086 0.000 0.948 154 T HN 0.504 nan 8.240 nan 0.000 0.438 155 Q N 3.113 122.987 119.800 0.123 0.000 2.294 155 Q HA 0.607 5.121 4.340 0.291 0.000 0.264 155 Q C -1.727 174.357 176.000 0.139 0.000 0.992 155 Q CA -0.857 55.056 55.803 0.184 0.000 0.747 155 Q CB 0.777 29.607 28.738 0.154 0.000 1.262 155 Q HN 0.672 nan 8.270 nan 0.000 0.452 156 L N 0.650 122.011 121.223 0.230 0.000 2.540 156 L HA 0.899 5.414 4.340 0.291 0.000 0.256 156 L C -1.719 175.313 176.870 0.270 0.000 1.001 156 L CA -0.880 54.043 54.840 0.139 0.000 0.843 156 L CB 1.947 44.089 42.059 0.138 0.000 1.436 156 L HN 0.559 nan 8.230 nan 0.000 0.410 157 C N 2.365 121.721 119.300 0.092 0.000 2.551 157 C HA 0.842 5.477 4.460 0.291 0.000 0.332 157 C C -1.259 173.745 174.990 0.023 0.000 1.139 157 C CA -0.469 58.639 59.018 0.149 0.000 1.328 157 C CB 0.494 28.329 27.740 0.159 0.000 1.903 157 C HN 0.875 nan 8.230 nan 0.000 0.459 158 L N 6.848 128.142 121.223 0.118 0.000 2.356 158 L HA 0.671 5.186 4.340 0.291 0.000 0.277 158 L C -0.463 176.492 176.870 0.142 0.000 0.996 158 L CA -0.606 54.291 54.840 0.094 0.000 0.822 158 L CB 1.598 43.694 42.059 0.061 0.000 1.256 158 L HN 0.524 nan 8.230 nan 0.000 0.413 159 I N 2.025 122.709 120.570 0.190 0.000 2.433 159 I HA 0.799 5.143 4.170 0.291 0.000 0.292 159 I C 0.364 176.360 176.117 -0.202 0.000 1.001 159 I CA -0.261 61.195 61.300 0.259 0.000 1.119 159 I CB 2.012 40.381 38.000 0.614 0.000 1.289 159 I HN 0.788 nan 8.210 nan 0.000 0.438 160 G N 2.984 111.629 108.800 -0.259 0.000 2.619 160 G HA2 0.327 4.461 3.960 0.291 0.000 0.305 160 G HA3 0.327 4.461 3.960 0.291 0.000 0.305 160 G C 0.001 174.792 174.900 -0.181 0.000 1.330 160 G CA -0.197 44.502 45.100 -0.668 0.000 0.789 160 G HN 0.695 nan 8.290 nan 0.000 0.487 161 C N -1.567 117.647 119.300 -0.143 0.000 2.865 161 C HA 0.557 5.192 4.460 0.291 0.000 0.280 161 C C 0.402 175.357 174.990 -0.060 0.000 1.255 161 C CA -0.437 58.571 59.018 -0.016 0.000 1.705 161 C CB -0.712 27.108 27.740 0.134 0.000 2.080 161 C HN 0.319 nan 8.230 nan 0.000 0.591 162 K N 2.058 122.488 120.400 0.049 0.000 2.267 162 K HA 0.581 5.075 4.320 0.291 0.000 0.246 162 K C -2.876 173.926 176.600 0.336 0.000 0.954 162 K CA -2.068 54.304 56.287 0.142 0.000 0.824 162 K CB 1.243 33.759 32.500 0.028 0.000 1.167 162 K HN 0.069 nan 8.250 nan 0.000 0.431 163 P HA 0.148 nan 4.420 nan 0.000 0.272 163 P C -2.418 174.693 177.300 -0.315 0.000 1.223 163 P CA -1.138 61.652 63.100 -0.516 0.000 0.784 163 P CB -0.125 31.063 31.700 -0.854 0.000 0.923 164 P HA 0.249 nan 4.420 nan 0.000 0.272 164 P C -0.428 176.714 177.300 -0.264 0.000 1.223 164 P CA 0.238 63.182 63.100 -0.261 0.000 0.784 164 P CB 0.715 32.269 31.700 -0.245 0.000 0.923 165 I N 1.295 121.717 120.570 -0.247 0.000 2.439 165 I HA 0.344 4.688 4.170 0.291 0.000 0.283 165 I C 0.946 176.904 176.117 -0.266 0.000 1.023 165 I CA -0.447 60.715 61.300 -0.230 0.000 1.100 165 I CB 1.746 39.635 38.000 -0.186 0.000 1.238 165 I HN 0.387 nan 8.210 nan 0.000 0.445 166 G N 4.748 113.395 108.800 -0.255 0.000 2.537 166 G HA2 0.708 4.843 3.960 0.291 0.000 0.297 166 G HA3 0.708 4.843 3.960 0.291 0.000 0.297 166 G C -0.901 173.910 174.900 -0.149 0.000 1.310 166 G CA -0.247 44.705 45.100 -0.246 0.000 1.027 166 G HN 0.660 nan 8.290 nan 0.000 0.505 167 E N -1.167 118.976 120.200 -0.095 0.000 2.366 167 E HA 0.604 5.128 4.350 0.291 0.000 0.278 167 E C -1.056 175.544 176.600 -0.001 0.000 0.923 167 E CA -1.024 55.306 56.400 -0.118 0.000 0.761 167 E CB 2.263 31.853 29.700 -0.183 0.000 1.231 167 E HN 0.792 nan 8.360 nan 0.000 0.443 168 H N -0.358 118.565 119.070 -0.245 0.000 2.948 168 H HA 0.371 5.102 4.556 0.291 0.000 0.315 168 H C -1.578 173.577 175.328 -0.289 0.000 1.360 168 H CA -1.237 54.676 56.048 -0.224 0.000 1.125 168 H CB 0.246 29.949 29.762 -0.099 0.000 1.844 168 H HN 0.634 nan 8.280 nan 0.000 0.529 169 W N -0.061 121.230 121.300 -0.016 0.000 2.436 169 W HA 0.611 5.445 4.660 0.290 0.000 0.347 169 W C 0.473 176.971 176.519 -0.034 0.000 1.136 169 W CA 0.147 57.451 57.345 -0.069 0.000 1.286 169 W CB 1.916 31.385 29.460 0.014 0.000 1.253 169 W HN 0.947 nan 8.180 nan 0.000 0.617 170 G N 0.758 109.696 108.800 0.230 0.000 2.600 170 G HA2 0.404 4.539 3.960 0.291 0.000 0.293 170 G HA3 0.404 4.539 3.960 0.291 0.000 0.293 170 G C -2.109 172.862 174.900 0.117 0.000 1.408 170 G CA -1.083 44.102 45.100 0.142 0.000 0.782 170 G HN 0.298 nan 8.290 nan 0.000 0.482 171 K N 0.054 120.506 120.400 0.086 0.000 2.265 171 K HA 0.574 5.069 4.320 0.291 0.000 0.267 171 K C -0.083 176.547 176.600 0.050 0.000 0.994 171 K CA -0.560 55.767 56.287 0.067 0.000 0.860 171 K CB 1.240 33.772 32.500 0.053 0.000 1.099 171 K HN 0.656 nan 8.250 nan 0.000 0.448 172 G N 2.812 111.641 108.800 0.048 0.000 3.161 172 G HA2 0.101 4.236 3.960 0.291 0.000 0.328 172 G HA3 0.101 4.236 3.960 0.291 0.000 0.328 172 G C -0.451 174.465 174.900 0.027 0.000 1.037 172 G CA -0.443 44.678 45.100 0.034 0.000 1.416 172 G HN 0.690 nan 8.290 nan 0.000 0.486 173 S N 2.219 117.932 115.700 0.023 0.000 4.684 173 S HA -0.134 4.511 4.470 0.291 0.000 0.564 173 S C -0.919 173.692 174.600 0.017 0.000 0.942 173 S CA -0.133 58.078 58.200 0.018 0.000 1.089 173 S CB 0.166 63.374 63.200 0.013 0.000 1.736 173 S HN 0.565 nan 8.310 nan 0.000 0.387 174 P HA -0.090 nan 4.420 nan 0.000 0.287 174 P C -0.034 177.274 177.300 0.014 0.000 1.744 174 P CA 0.067 63.176 63.100 0.015 0.000 1.448 174 P CB 0.392 32.099 31.700 0.012 0.000 0.907 175 C N -0.974 118.333 119.300 0.012 0.000 2.345 175 C HA 0.286 4.920 4.460 0.291 0.000 0.323 175 C C -0.011 174.984 174.990 0.008 0.000 1.276 175 C CA -0.139 58.886 59.018 0.011 0.000 1.543 175 C CB 0.499 28.246 27.740 0.011 0.000 2.211 175 C HN 0.403 nan 8.230 nan 0.000 0.493 176 T N 4.825 119.384 114.554 0.008 0.000 2.825 176 T HA 0.293 4.817 4.350 0.291 0.000 0.270 176 T C -0.327 174.377 174.700 0.005 0.000 0.919 176 T CA 0.705 62.809 62.100 0.006 0.000 1.159 176 T CB -0.459 68.413 68.868 0.005 0.000 0.889 176 T HN 0.787 nan 8.240 nan 0.000 0.565 177 Q N 0.488 120.291 119.800 0.005 0.000 2.889 177 Q HA 0.243 4.758 4.340 0.291 0.000 0.262 177 Q C -0.938 175.064 176.000 0.004 0.000 0.966 177 Q CA -0.996 54.810 55.803 0.004 0.000 0.858 177 Q CB 1.346 30.087 28.738 0.005 0.000 1.845 177 Q HN 0.321 nan 8.270 nan 0.000 0.464 178 V N 0.450 120.366 119.914 0.003 0.000 5.868 178 V HA -0.281 4.013 4.120 0.291 0.000 0.152 178 V C 0.643 176.739 176.094 0.003 0.000 0.726 178 V CA 1.401 63.702 62.300 0.003 0.000 0.519 178 V CB -1.553 30.271 31.823 0.003 0.000 0.388 178 V HN 0.856 nan 8.190 nan 0.000 0.380 179 A N 4.284 127.105 122.820 0.002 0.000 2.711 179 A HA 0.519 5.014 4.320 0.291 0.000 0.242 179 A C 0.688 178.273 177.584 0.002 0.000 1.607 179 A CA 0.382 52.421 52.037 0.003 0.000 1.370 179 A CB -0.713 18.289 19.000 0.002 0.000 0.934 179 A HN 2.095 nan 8.150 nan 0.000 0.628 180 V N -1.907 118.008 119.914 0.002 0.000 3.656 180 V HA -0.192 4.102 4.120 0.291 0.000 0.521 180 V C 0.135 176.228 176.094 -0.000 0.000 0.682 180 V CA 0.671 62.971 62.300 0.001 0.000 2.078 180 V CB -0.828 30.996 31.823 0.001 0.000 2.490 180 V HN 0.868 nan 8.190 nan 0.000 0.514 181 Q N 4.972 124.772 119.800 -0.001 0.000 2.274 181 Q HA 0.356 4.870 4.340 0.291 0.000 0.256 181 Q C -2.387 173.611 176.000 -0.003 0.000 0.927 181 Q CA -2.094 53.707 55.803 -0.003 0.000 0.939 181 Q CB 1.497 30.234 28.738 -0.003 0.000 1.201 181 Q HN 0.664 nan 8.270 nan 0.000 0.426 182 P HA -0.155 nan 4.420 nan 0.000 0.255 182 P C 0.109 177.405 177.300 -0.007 0.000 1.141 182 P CA 1.892 64.989 63.100 -0.005 0.000 0.767 182 P CB 0.208 31.904 31.700 -0.006 0.000 0.726 183 G N 3.537 112.333 108.800 -0.007 0.000 2.981 183 G HA2 -0.190 3.945 3.960 0.291 0.000 0.199 183 G HA3 -0.190 3.945 3.960 0.291 0.000 0.199 183 G C -0.099 174.796 174.900 -0.008 0.000 1.586 183 G CA -0.378 44.716 45.100 -0.010 0.000 1.162 183 G HN 0.497 nan 8.290 nan 0.000 0.538 184 D N 1.861 122.258 120.400 -0.005 0.000 2.661 184 D HA 0.289 5.103 4.640 0.291 0.000 0.283 184 D C 1.184 177.482 176.300 -0.004 0.000 1.470 184 D CA 1.017 55.015 54.000 -0.004 0.000 1.126 184 D CB -0.385 40.414 40.800 -0.002 0.000 1.145 184 D HN 0.775 nan 8.370 nan 0.000 0.572 185 C N 4.372 123.668 119.300 -0.007 0.000 1.210 185 C HA -0.155 4.479 4.460 0.291 0.000 0.488 185 C C -1.699 173.290 174.990 -0.002 0.000 1.372 185 C CA -1.258 57.756 59.018 -0.007 0.000 1.809 185 C CB -0.265 27.468 27.740 -0.013 0.000 3.229 185 C HN 0.510 nan 8.230 nan 0.000 0.532 186 P HA 0.303 nan 4.420 nan 0.000 0.272 186 P C -2.539 174.768 177.300 0.012 0.000 1.230 186 P CA -0.736 62.371 63.100 0.012 0.000 0.788 186 P CB 0.025 31.738 31.700 0.021 0.000 0.949 187 P HA 0.182 nan 4.420 nan 0.000 0.287 187 P C -0.571 176.760 177.300 0.051 0.000 1.307 187 P CA -0.007 63.111 63.100 0.030 0.000 0.777 187 P CB 0.355 32.075 31.700 0.034 0.000 0.883 188 L N 3.325 124.580 121.223 0.052 0.000 2.456 188 L HA 0.488 5.003 4.340 0.291 0.000 0.257 188 L C 0.621 177.618 176.870 0.210 0.000 1.162 188 L CA 0.177 55.089 54.840 0.120 0.000 0.808 188 L CB 0.148 42.203 42.059 -0.007 0.000 1.136 188 L HN 0.464 nan 8.230 nan 0.000 0.466 189 E N 1.255 121.656 120.200 0.335 0.000 2.506 189 E HA 0.153 4.678 4.350 0.291 0.000 0.308 189 E C -1.705 174.923 176.600 0.047 0.000 0.931 189 E CA -0.726 55.804 56.400 0.217 0.000 0.800 189 E CB 1.626 31.373 29.700 0.078 0.000 1.292 189 E HN 0.332 nan 8.360 nan 0.000 0.401 190 L N 5.873 126.969 121.223 -0.212 0.000 2.477 190 L HA 0.347 4.861 4.340 0.291 0.000 0.272 190 L C -0.915 175.689 176.870 -0.443 0.000 1.157 190 L CA 0.652 55.090 54.840 -0.670 0.000 0.889 190 L CB 0.244 41.887 42.059 -0.694 0.000 1.158 190 L HN 0.470 nan 8.230 nan 0.000 0.473 191 I N 5.732 125.969 120.570 -0.555 0.000 2.382 191 I HA 0.308 4.652 4.170 0.291 0.000 0.286 191 I C -0.039 175.887 176.117 -0.318 0.000 1.002 191 I CA -0.632 60.419 61.300 -0.415 0.000 1.135 191 I CB 0.980 38.700 38.000 -0.465 0.000 1.288 191 I HN 0.553 nan 8.210 nan 0.000 0.448 192 N N 3.919 122.506 118.700 -0.188 0.000 2.508 192 N HA 0.314 5.228 4.740 0.291 0.000 0.264 192 N C -0.176 175.302 175.510 -0.054 0.000 1.216 192 N CA 0.266 53.242 53.050 -0.122 0.000 0.943 192 N CB 1.746 40.165 38.487 -0.113 0.000 1.113 192 N HN 0.616 nan 8.380 nan 0.000 0.447 193 T N -1.389 113.138 114.554 -0.046 0.000 2.830 193 T HA 0.243 4.767 4.350 0.291 0.000 0.322 193 T C -1.269 173.386 174.700 -0.075 0.000 1.501 193 T CA -0.715 61.378 62.100 -0.012 0.000 1.036 193 T CB 0.585 69.488 68.868 0.058 0.000 1.379 193 T HN 0.044 nan 8.240 nan 0.000 0.493 194 V N 4.232 124.111 119.914 -0.059 0.000 2.521 194 V HA 0.341 4.635 4.120 0.291 0.000 0.286 194 V C 0.657 176.682 176.094 -0.115 0.000 1.034 194 V CA -0.276 61.933 62.300 -0.151 0.000 1.045 194 V CB 0.390 32.009 31.823 -0.340 0.000 0.974 194 V HN 0.686 nan 8.190 nan 0.000 0.480 195 I N 5.692 126.136 120.570 -0.209 0.000 2.269 195 I HA 0.213 4.557 4.170 0.291 0.000 0.293 195 I C 0.651 176.696 176.117 -0.121 0.000 1.106 195 I CA 0.061 61.193 61.300 -0.280 0.000 1.248 195 I CB 0.354 38.081 38.000 -0.455 0.000 1.444 195 I HN 0.731 nan 8.210 nan 0.000 0.497 196 Q N 3.964 123.772 119.800 0.014 0.000 2.317 196 Q HA 0.116 4.631 4.340 0.291 0.000 0.229 196 Q C 0.094 176.149 176.000 0.092 0.000 0.984 196 Q CA -0.670 55.255 55.803 0.205 0.000 0.911 196 Q CB 1.221 29.958 28.738 -0.001 0.000 1.217 196 Q HN 0.474 nan 8.270 nan 0.000 0.501 197 D N -0.379 120.113 120.400 0.154 0.000 2.487 197 D HA 0.009 4.824 4.640 0.291 0.000 0.243 197 D C 0.494 176.801 176.300 0.011 0.000 1.154 197 D CA 1.501 55.533 54.000 0.054 0.000 0.876 197 D CB 0.420 41.237 40.800 0.029 0.000 1.161 197 D HN 0.760 nan 8.370 nan 0.000 0.478 198 G N 3.999 112.829 108.800 0.051 0.000 2.253 198 G HA2 -0.199 3.936 3.960 0.291 0.000 0.209 198 G HA3 -0.199 3.936 3.960 0.291 0.000 0.209 198 G C 0.190 175.124 174.900 0.058 0.000 0.997 198 G CA 0.047 45.171 45.100 0.039 0.000 0.640 198 G HN 0.627 nan 8.290 nan 0.000 0.496 199 D N 1.419 121.843 120.400 0.040 0.000 2.354 199 D HA 0.333 5.148 4.640 0.291 0.000 0.238 199 D C 0.976 177.364 176.300 0.147 0.000 1.250 199 D CA 0.270 54.281 54.000 0.019 0.000 0.911 199 D CB 0.306 41.037 40.800 -0.115 0.000 1.163 199 D HN 0.038 nan 8.370 nan 0.000 0.456 200 M N 1.125 120.780 119.600 0.092 0.000 2.180 200 M HA 0.130 4.785 4.480 0.291 0.000 0.358 200 M C 0.230 176.666 176.300 0.227 0.000 1.233 200 M CA -0.789 54.588 55.300 0.128 0.000 1.114 200 M CB 0.833 33.460 32.600 0.046 0.000 1.594 200 M HN 0.166 nan 8.290 nan 0.000 0.467 201 V N 0.091 120.111 119.914 0.177 0.000 3.503 201 V HA 0.227 4.522 4.120 0.291 0.000 0.300 201 V C 0.370 176.518 176.094 0.090 0.000 1.099 201 V CA -0.891 61.473 62.300 0.107 0.000 1.117 201 V CB 0.209 31.989 31.823 -0.073 0.000 1.122 201 V HN 0.827 nan 8.190 nan 0.000 0.476 202 D N 0.615 121.086 120.400 0.118 0.000 2.357 202 D HA 0.328 5.143 4.640 0.291 0.000 0.242 202 D C 0.886 177.198 176.300 0.021 0.000 1.153 202 D CA 0.520 54.582 54.000 0.104 0.000 0.918 202 D CB 1.495 42.361 40.800 0.111 0.000 1.181 202 D HN 1.003 nan 8.370 nan 0.000 0.435 203 T N -1.082 113.462 114.554 -0.016 0.000 3.087 203 T HA 0.438 4.962 4.350 0.291 0.000 0.283 203 T C 1.121 175.812 174.700 -0.015 0.000 0.956 203 T CA 0.357 62.368 62.100 -0.149 0.000 0.894 203 T CB 0.376 68.852 68.868 -0.654 0.000 1.160 203 T HN 0.681 nan 8.240 nan 0.000 0.532 204 G N 0.960 109.758 108.800 -0.003 0.000 2.367 204 G HA2 -0.074 4.060 3.960 0.291 0.000 0.181 204 G HA3 -0.074 4.060 3.960 0.291 0.000 0.181 204 G C 0.090 174.948 174.900 -0.071 0.000 1.000 204 G CA -0.462 44.579 45.100 -0.098 0.000 0.693 204 G HN 0.469 nan 8.290 nan 0.000 0.480 205 F N 2.438 122.497 119.950 0.181 0.000 2.923 205 F HA 0.474 5.175 4.527 0.290 0.000 0.314 205 F C 1.508 177.458 175.800 0.251 0.000 1.196 205 F CA 0.101 58.227 58.000 0.209 0.000 1.320 205 F CB 0.811 39.940 39.000 0.214 0.000 0.953 205 F HN 0.581 nan 8.300 nan 0.000 0.505 206 G N 1.332 110.322 108.800 0.317 0.000 2.915 206 G HA2 -0.028 4.106 3.960 0.291 0.000 0.337 206 G HA3 -0.028 4.106 3.960 0.291 0.000 0.337 206 G C -0.580 174.473 174.900 0.256 0.000 1.477 206 G CA -0.507 44.745 45.100 0.253 0.000 0.916 206 G HN 0.684 nan 8.290 nan 0.000 0.550 207 A N 0.742 123.709 122.820 0.246 0.000 2.276 207 A HA 0.996 5.490 4.320 0.291 0.000 0.316 207 A C 0.352 178.087 177.584 0.252 0.000 1.229 207 A CA 0.767 52.918 52.037 0.190 0.000 0.851 207 A CB 0.627 19.740 19.000 0.187 0.000 1.165 207 A HN 2.337 nan 8.150 nan 0.000 0.513 208 M N 0.378 120.022 119.600 0.072 0.000 3.231 208 M HA 0.413 5.068 4.480 0.291 0.000 0.282 208 M C -2.263 173.952 176.300 -0.143 0.000 1.126 208 M CA -0.789 54.585 55.300 0.123 0.000 0.820 208 M CB 1.272 33.990 32.600 0.197 0.000 1.624 208 M HN 0.402 nan 8.290 nan 0.000 0.535 209 D N 0.878 121.299 120.400 0.036 0.000 2.454 209 D HA 0.487 5.301 4.640 0.291 0.000 0.225 209 D C -0.174 176.145 176.300 0.031 0.000 1.081 209 D CA -0.293 53.672 54.000 -0.059 0.000 0.864 209 D CB 0.287 41.144 40.800 0.094 0.000 1.040 209 D HN 0.576 nan 8.370 nan 0.000 0.517 210 F N 0.982 120.961 119.950 0.050 0.000 2.234 210 F HA -0.140 4.561 4.527 0.291 0.000 0.299 210 F C 2.310 178.119 175.800 0.015 0.000 1.087 210 F CA 0.488 58.504 58.000 0.027 0.000 1.340 210 F CB 0.256 39.269 39.000 0.022 0.000 1.031 210 F HN 0.299 nan 8.300 nan 0.000 0.500 211 T N -1.244 113.416 114.554 0.176 0.000 2.897 211 T HA -0.180 4.345 4.350 0.291 0.000 0.271 211 T C 1.800 176.549 174.700 0.081 0.000 1.084 211 T CA 1.894 64.056 62.100 0.103 0.000 1.123 211 T CB -0.400 68.507 68.868 0.066 0.000 0.865 211 T HN 0.410 nan 8.240 nan 0.000 0.496 212 T N -2.127 112.482 114.554 0.091 0.000 3.058 212 T HA 0.323 4.847 4.350 0.291 0.000 0.278 212 T C 1.352 176.097 174.700 0.074 0.000 0.974 212 T CA -0.379 61.764 62.100 0.071 0.000 0.893 212 T CB 0.107 69.015 68.868 0.067 0.000 1.138 212 T HN 0.104 nan 8.240 nan 0.000 0.529 213 L N 0.288 121.572 121.223 0.101 0.000 2.575 213 L HA 0.440 4.955 4.340 0.291 0.000 0.228 213 L C 0.708 177.609 176.870 0.052 0.000 1.075 213 L CA 0.716 55.607 54.840 0.084 0.000 0.867 213 L CB -0.269 41.863 42.059 0.122 0.000 1.097 213 L HN 0.407 nan 8.230 nan 0.000 0.485 214 Q N -0.230 119.605 119.800 0.059 0.000 2.425 214 Q HA 0.378 4.892 4.340 0.291 0.000 0.254 214 Q C 0.585 176.578 176.000 -0.013 0.000 1.032 214 Q CA -0.164 55.633 55.803 -0.010 0.000 0.798 214 Q CB 1.922 30.643 28.738 -0.028 0.000 1.210 214 Q HN 0.135 nan 8.270 nan 0.000 0.491 215 A N 2.925 125.730 122.820 -0.024 0.000 2.123 215 A HA -0.118 4.377 4.320 0.291 0.000 0.214 215 A C 1.698 179.258 177.584 -0.040 0.000 1.152 215 A CA 0.577 52.603 52.037 -0.019 0.000 0.728 215 A CB -0.137 18.855 19.000 -0.015 0.000 0.814 215 A HN 0.748 nan 8.150 nan 0.000 0.464 216 N N 0.757 119.417 118.700 -0.068 0.000 2.184 216 N HA -0.259 4.655 4.740 0.291 0.000 0.190 216 N C 0.722 176.169 175.510 -0.104 0.000 1.011 216 N CA 1.834 54.825 53.050 -0.098 0.000 0.867 216 N CB -0.268 38.135 38.487 -0.140 0.000 0.993 216 N HN 0.545 nan 8.380 nan 0.000 0.433 217 K N -0.656 119.692 120.400 -0.088 0.000 3.167 217 K HA -0.171 4.324 4.320 0.291 0.000 0.272 217 K C -1.247 175.287 176.600 -0.110 0.000 1.137 217 K CA 0.901 57.155 56.287 -0.055 0.000 0.800 217 K CB -1.775 30.716 32.500 -0.014 0.000 1.253 217 K HN 0.396 nan 8.250 nan 0.000 0.497 218 S N -1.216 114.346 115.700 -0.230 0.000 3.907 218 S HA 0.071 4.715 4.470 0.291 0.000 0.094 218 S C -0.247 174.073 174.600 -0.467 0.000 0.860 218 S CA -0.619 57.287 58.200 -0.490 0.000 0.828 218 S CB -0.108 62.666 63.200 -0.709 0.000 1.108 218 S HN 0.348 nan 8.310 nan 0.000 0.715 219 E N 0.717 120.662 120.200 -0.425 0.000 2.572 219 E HA 0.284 4.809 4.350 0.291 0.000 0.220 219 E C 0.345 176.588 176.600 -0.594 0.000 0.945 219 E CA 0.488 56.570 56.400 -0.531 0.000 1.070 219 E CB 1.776 31.151 29.700 -0.542 0.000 1.090 219 E HN 0.710 nan 8.360 nan 0.000 0.506 220 V N -1.969 117.712 119.914 -0.389 0.000 3.120 220 V HA 0.460 4.755 4.120 0.291 0.000 0.303 220 V C -3.033 173.149 176.094 0.146 0.000 1.238 220 V CA -2.943 59.237 62.300 -0.201 0.000 1.008 220 V CB 1.664 33.213 31.823 -0.456 0.000 1.064 220 V HN -0.241 nan 8.190 nan 0.000 0.434 221 P HA -0.038 nan 4.420 nan 0.000 0.272 221 P C 0.820 178.351 177.300 0.384 0.000 1.194 221 P CA 0.187 63.529 63.100 0.405 0.000 0.777 221 P CB 0.314 32.347 31.700 0.555 0.000 0.814 222 L N 2.215 123.613 121.223 0.292 0.000 2.129 222 L HA -0.216 4.298 4.340 0.291 0.000 0.212 222 L C 1.786 178.892 176.870 0.393 0.000 1.087 222 L CA 2.260 57.233 54.840 0.221 0.000 0.757 222 L CB -1.516 40.561 42.059 0.030 0.000 0.896 222 L HN 0.503 nan 8.230 nan 0.000 0.434 223 D N -1.180 119.529 120.400 0.516 0.000 2.224 223 D HA -0.167 4.648 4.640 0.291 0.000 0.205 223 D C 1.852 178.340 176.300 0.312 0.000 0.965 223 D CA 1.581 55.831 54.000 0.416 0.000 0.852 223 D CB -0.313 40.727 40.800 0.401 0.000 0.947 223 D HN 0.532 nan 8.370 nan 0.000 0.494 224 I N -1.095 119.682 120.570 0.344 0.000 3.445 224 I HA 0.076 4.420 4.170 0.291 0.000 0.288 224 I C 2.127 178.519 176.117 0.457 0.000 1.198 224 I CA 0.092 61.618 61.300 0.376 0.000 1.417 224 I CB -0.726 37.585 38.000 0.518 0.000 1.205 224 I HN 0.141 nan 8.210 nan 0.000 0.448 225 C N 1.939 121.436 119.300 0.328 0.000 2.385 225 C HA -0.189 4.445 4.460 0.291 0.000 0.275 225 C C 2.632 177.766 174.990 0.240 0.000 1.199 225 C CA 1.587 60.733 59.018 0.213 0.000 1.782 225 C CB -2.606 25.218 27.740 0.141 0.000 2.068 225 C HN 0.711 nan 8.230 nan 0.000 0.471 226 T N -1.898 112.779 114.554 0.204 0.000 3.272 226 T HA 0.401 4.925 4.350 0.291 0.000 0.250 226 T C 0.352 175.120 174.700 0.113 0.000 1.082 226 T CA 0.283 62.468 62.100 0.141 0.000 0.968 226 T CB -0.301 68.633 68.868 0.111 0.000 1.015 226 T HN 0.632 nan 8.240 nan 0.000 0.563 227 S N 0.240 116.019 115.700 0.133 0.000 2.720 227 S HA 0.757 5.402 4.470 0.291 0.000 0.287 227 S C -1.227 173.313 174.600 -0.100 0.000 1.168 227 S CA -0.943 57.276 58.200 0.032 0.000 0.832 227 S CB 1.179 64.411 63.200 0.053 0.000 1.166 227 S HN 0.229 nan 8.310 nan 0.000 0.493 228 I N 0.897 121.358 120.570 -0.181 0.000 2.406 228 I HA 0.391 4.736 4.170 0.291 0.000 0.290 228 I C -0.783 175.150 176.117 -0.307 0.000 0.999 228 I CA -0.178 60.923 61.300 -0.333 0.000 1.124 228 I CB 1.194 38.956 38.000 -0.396 0.000 1.289 228 I HN 0.512 nan 8.210 nan 0.000 0.441 229 C N 5.791 124.871 119.300 -0.367 0.000 2.255 229 C HA 0.432 5.067 4.460 0.291 0.000 0.326 229 C C 0.279 175.226 174.990 -0.072 0.000 1.258 229 C CA -0.696 58.217 59.018 -0.175 0.000 1.676 229 C CB -0.400 27.226 27.740 -0.190 0.000 2.314 229 C HN 0.621 nan 8.230 nan 0.000 0.509 230 K N 3.300 123.712 120.400 0.019 0.000 2.394 230 K HA 0.332 4.827 4.320 0.291 0.000 0.260 230 K C -1.239 175.485 176.600 0.206 0.000 0.967 230 K CA -0.417 55.882 56.287 0.020 0.000 0.855 230 K CB 1.526 33.913 32.500 -0.190 0.000 1.101 230 K HN 0.663 nan 8.250 nan 0.000 0.433 231 Y N 4.289 124.609 120.300 0.033 0.000 2.323 231 Y HA 0.314 5.038 4.550 0.291 0.000 0.331 231 Y C -2.448 173.377 175.900 -0.125 0.000 1.092 231 Y CA -2.433 55.688 58.100 0.036 0.000 1.150 231 Y CB 1.260 39.729 38.460 0.014 0.000 1.200 231 Y HN 0.440 nan 8.280 nan 0.000 0.472 232 P HA -0.005 nan 4.420 nan 0.000 0.271 232 P C -1.021 175.603 177.300 -1.127 0.000 1.226 232 P CA 0.192 62.740 63.100 -0.920 0.000 0.765 232 P CB 0.444 31.463 31.700 -1.134 0.000 0.835 233 D N 3.078 123.102 120.400 -0.626 0.000 2.508 233 D HA 0.020 4.835 4.640 0.291 0.000 0.224 233 D C 0.638 176.673 176.300 -0.440 0.000 1.171 233 D CA 0.105 53.852 54.000 -0.421 0.000 1.006 233 D CB -0.462 40.195 40.800 -0.239 0.000 1.073 233 D HN 0.328 nan 8.370 nan 0.000 0.513 234 Y N 2.202 122.341 120.300 -0.269 0.000 2.006 234 Y HA -0.310 4.415 4.550 0.291 0.000 0.266 234 Y C 2.360 178.157 175.900 -0.173 0.000 1.133 234 Y CA 0.325 58.242 58.100 -0.305 0.000 1.098 234 Y CB -0.251 38.019 38.460 -0.317 0.000 0.969 234 Y HN 0.275 nan 8.280 nan 0.000 0.482 235 I N 0.613 121.220 120.570 0.061 0.000 2.237 235 I HA -0.465 3.879 4.170 0.291 0.000 0.245 235 I C 2.255 178.375 176.117 0.006 0.000 1.013 235 I CA 2.058 63.385 61.300 0.044 0.000 1.298 235 I CB -1.371 36.655 38.000 0.043 0.000 0.995 235 I HN 0.346 nan 8.210 nan 0.000 0.422 236 K N 0.070 120.446 120.400 -0.039 0.000 2.044 236 K HA -0.042 4.453 4.320 0.291 0.000 0.204 236 K C 2.208 178.782 176.600 -0.043 0.000 1.049 236 K CA 0.918 57.178 56.287 -0.045 0.000 0.945 236 K CB 0.006 32.463 32.500 -0.072 0.000 0.724 236 K HN 0.221 nan 8.250 nan 0.000 0.440 237 M N 0.430 119.985 119.600 -0.074 0.000 2.394 237 M HA -0.087 4.568 4.480 0.291 0.000 0.264 237 M C 1.843 178.136 176.300 -0.011 0.000 1.073 237 M CA 0.686 55.950 55.300 -0.060 0.000 1.111 237 M CB 0.318 32.852 32.600 -0.110 0.000 1.401 237 M HN -0.026 nan 8.290 nan 0.000 0.448 238 V N -0.887 119.029 119.914 0.003 0.000 2.535 238 V HA -0.124 4.171 4.120 0.291 0.000 0.246 238 V C 2.124 178.259 176.094 0.070 0.000 1.045 238 V CA 1.612 63.942 62.300 0.050 0.000 1.058 238 V CB -0.292 31.564 31.823 0.054 0.000 0.689 238 V HN 0.375 nan 8.190 nan 0.000 0.461 239 S N -0.517 115.213 115.700 0.051 0.000 2.481 239 S HA -0.055 4.589 4.470 0.291 0.000 0.231 239 S C 0.916 175.551 174.600 0.059 0.000 0.996 239 S CA 0.184 58.417 58.200 0.055 0.000 0.942 239 S CB -0.333 62.888 63.200 0.036 0.000 0.768 239 S HN 0.734 nan 8.310 nan 0.000 0.520 240 E N 3.630 123.863 120.200 0.055 0.000 2.900 240 E HA -0.078 4.447 4.350 0.291 0.000 0.259 240 E C -1.127 175.538 176.600 0.108 0.000 0.918 240 E CA -0.728 55.715 56.400 0.071 0.000 0.960 240 E CB 0.323 30.062 29.700 0.065 0.000 0.908 240 E HN 0.105 nan 8.360 nan 0.000 0.511 241 P HA -0.228 nan 4.420 nan 0.000 0.199 241 P C 0.740 178.079 177.300 0.066 0.000 1.118 241 P CA 1.414 64.529 63.100 0.024 0.000 0.913 241 P CB -0.368 31.285 31.700 -0.078 0.000 0.738 242 Y N 0.069 120.394 120.300 0.043 0.000 2.516 242 Y HA -0.028 4.696 4.550 0.291 0.000 0.284 242 Y C 1.788 177.822 175.900 0.223 0.000 1.166 242 Y CA 1.244 59.408 58.100 0.106 0.000 1.350 242 Y CB -1.589 36.908 38.460 0.062 0.000 0.967 242 Y HN 0.263 nan 8.280 nan 0.000 0.568 243 G N 0.778 109.770 108.800 0.319 0.000 2.372 243 G HA2 -0.335 3.800 3.960 0.291 0.000 0.297 243 G HA3 -0.335 3.800 3.960 0.291 0.000 0.297 243 G C 0.182 175.248 174.900 0.277 0.000 1.005 243 G CA 0.703 45.973 45.100 0.283 0.000 1.173 243 G HN 0.469 nan 8.290 nan 0.000 0.511 244 D N -0.658 119.868 120.400 0.210 0.000 2.366 244 D HA 0.163 4.977 4.640 0.291 0.000 0.205 244 D C 2.369 178.679 176.300 0.016 0.000 1.022 244 D CA 0.928 55.036 54.000 0.180 0.000 0.868 244 D CB 0.314 41.220 40.800 0.177 0.000 0.953 244 D HN 0.397 nan 8.370 nan 0.000 0.514 245 S N 0.336 116.027 115.700 -0.014 0.000 2.341 245 S HA 0.081 4.725 4.470 0.291 0.000 0.204 245 S C 0.917 175.402 174.600 -0.192 0.000 1.038 245 S CA 0.417 58.566 58.200 -0.085 0.000 1.013 245 S CB -0.276 62.882 63.200 -0.070 0.000 0.994 245 S HN 0.285 nan 8.310 nan 0.000 0.430 246 L N -0.624 120.509 121.223 -0.150 0.000 2.342 246 L HA 0.664 5.179 4.340 0.291 0.000 0.271 246 L C -0.062 176.797 176.870 -0.018 0.000 1.008 246 L CA -0.877 53.832 54.840 -0.219 0.000 0.818 246 L CB 1.268 43.275 42.059 -0.088 0.000 1.296 246 L HN 0.347 nan 8.230 nan 0.000 0.427 247 F N 0.249 120.325 119.950 0.210 0.000 2.740 247 F HA 0.499 5.200 4.527 0.291 0.000 0.304 247 F C -0.172 175.810 175.800 0.305 0.000 1.098 247 F CA -1.147 56.986 58.000 0.221 0.000 1.258 247 F CB -0.296 38.816 39.000 0.186 0.000 1.061 247 F HN 0.325 nan 8.300 nan 0.000 0.598 248 F N 2.771 123.099 119.950 0.630 0.000 2.518 248 F HA 0.637 5.338 4.527 0.291 0.000 0.323 248 F C -1.290 174.651 175.800 0.234 0.000 1.129 248 F CA -2.259 55.920 58.000 0.299 0.000 0.920 248 F CB 1.509 40.658 39.000 0.247 0.000 1.160 248 F HN 0.113 nan 8.300 nan 0.000 0.440 249 Y N 5.164 124.878 120.300 -0.976 0.000 2.573 249 Y HA 0.707 5.432 4.550 0.291 0.000 0.328 249 Y C -2.630 172.751 175.900 -0.865 0.000 1.170 249 Y CA -1.926 55.667 58.100 -0.845 0.000 1.078 249 Y CB 0.907 39.148 38.460 -0.365 0.000 1.341 249 Y HN 0.464 nan 8.280 nan 0.000 0.459 250 L N 2.317 123.131 121.223 -0.682 0.000 2.482 250 L HA 0.796 5.310 4.340 0.291 0.000 0.263 250 L C -0.756 175.936 176.870 -0.298 0.000 0.957 250 L CA -1.726 52.753 54.840 -0.600 0.000 0.836 250 L CB 1.975 43.671 42.059 -0.605 0.000 1.324 250 L HN 0.903 nan 8.230 nan 0.000 0.406 251 R N 0.646 121.018 120.500 -0.214 0.000 2.854 251 R HA 0.979 5.494 4.340 0.291 0.000 0.271 251 R C -0.792 175.473 176.300 -0.057 0.000 0.996 251 R CA -1.026 55.036 56.100 -0.064 0.000 0.961 251 R CB 2.286 32.576 30.300 -0.017 0.000 1.182 251 R HN 0.610 nan 8.270 nan 0.000 0.479 252 R N 0.891 121.398 120.500 0.012 0.000 3.009 252 R HA 0.121 4.635 4.340 0.291 0.000 0.278 252 R C -1.603 174.729 176.300 0.055 0.000 1.515 252 R CA -0.253 55.852 56.100 0.009 0.000 1.055 252 R CB 1.198 31.483 30.300 -0.025 0.000 1.345 252 R HN 0.945 nan 8.270 nan 0.000 0.421 253 E N 3.029 123.272 120.200 0.072 0.000 2.263 253 E HA 0.513 5.038 4.350 0.291 0.000 0.264 253 E C -1.271 175.368 176.600 0.064 0.000 0.923 253 E CA -1.106 55.345 56.400 0.085 0.000 0.802 253 E CB 2.476 32.246 29.700 0.117 0.000 1.228 253 E HN 0.475 nan 8.360 nan 0.000 0.417 254 Q N 1.773 121.615 119.800 0.070 0.000 2.443 254 Q HA 0.465 4.979 4.340 0.291 0.000 0.258 254 Q C -1.401 174.659 176.000 0.100 0.000 0.967 254 Q CA -0.921 54.925 55.803 0.072 0.000 0.951 254 Q CB 1.841 30.613 28.738 0.057 0.000 1.459 254 Q HN 0.613 nan 8.270 nan 0.000 0.415 255 M N 3.589 123.261 119.600 0.120 0.000 2.578 255 M HA 0.780 5.434 4.480 0.291 0.000 0.276 255 M C -2.153 174.319 176.300 0.287 0.000 1.245 255 M CA -0.579 54.816 55.300 0.157 0.000 0.871 255 M CB 2.351 34.992 32.600 0.069 0.000 1.722 255 M HN 0.971 nan 8.290 nan 0.000 0.473 256 F N 0.818 120.749 119.950 -0.032 0.000 2.745 256 F HA 0.777 5.479 4.527 0.291 0.000 0.316 256 F C -1.228 174.535 175.800 -0.062 0.000 1.155 256 F CA -1.292 56.682 58.000 -0.043 0.000 0.937 256 F CB 0.685 39.658 39.000 -0.046 0.000 1.361 256 F HN 0.417 nan 8.300 nan 0.000 0.472 257 V N 1.527 121.405 119.914 -0.060 0.000 2.446 257 V HA 0.365 4.659 4.120 0.291 0.000 0.276 257 V C 0.894 176.710 176.094 -0.463 0.000 1.030 257 V CA -0.186 61.992 62.300 -0.204 0.000 1.033 257 V CB 0.523 32.319 31.823 -0.044 0.000 0.993 257 V HN 1.036 nan 8.190 nan 0.000 0.477 258 R N 3.713 123.860 120.500 -0.588 0.000 2.048 258 R HA 0.149 4.664 4.340 0.291 0.000 0.224 258 R C 0.618 176.573 176.300 -0.574 0.000 1.163 258 R CA 1.297 57.044 56.100 -0.588 0.000 0.956 258 R CB -0.165 29.844 30.300 -0.485 0.000 0.849 258 R HN 0.876 nan 8.270 nan 0.000 0.435 259 H N -2.045 116.791 119.070 -0.390 0.000 2.812 259 H HA 0.557 5.288 4.556 0.291 0.000 0.355 259 H C -1.356 173.622 175.328 -0.583 0.000 1.207 259 H CA -0.807 54.933 56.048 -0.514 0.000 1.217 259 H CB 1.634 30.926 29.762 -0.784 0.000 1.874 259 H HN -0.038 nan 8.280 nan 0.000 0.581 260 L N 1.981 122.975 121.223 -0.382 0.000 2.406 260 L HA 0.353 4.868 4.340 0.291 0.000 0.270 260 L C -1.286 175.478 176.870 -0.177 0.000 0.982 260 L CA 0.099 54.763 54.840 -0.293 0.000 0.843 260 L CB 0.597 42.583 42.059 -0.123 0.000 1.225 260 L HN 0.457 nan 8.230 nan 0.000 0.412 261 F N 0.898 120.596 119.950 -0.420 0.000 2.556 261 F HA 0.440 5.140 4.527 0.290 0.000 0.327 261 F C 0.496 176.054 175.800 -0.403 0.000 1.059 261 F CA -1.071 56.611 58.000 -0.531 0.000 0.953 261 F CB 2.070 40.465 39.000 -1.007 0.000 1.227 261 F HN 0.416 nan 8.300 nan 0.000 0.478 262 N N 1.494 120.211 118.700 0.030 0.000 2.426 262 N HA 0.180 5.095 4.740 0.291 0.000 0.275 262 N C -0.772 174.850 175.510 0.186 0.000 1.019 262 N CA -0.816 52.259 53.050 0.042 0.000 0.941 262 N CB 0.751 39.229 38.487 -0.014 0.000 1.123 262 N HN 0.397 nan 8.380 nan 0.000 0.486 263 R N 1.855 122.506 120.500 0.251 0.000 2.442 263 R HA 0.213 4.728 4.340 0.291 0.000 0.291 263 R C -0.131 176.181 176.300 0.020 0.000 1.069 263 R CA -0.174 56.018 56.100 0.154 0.000 1.022 263 R CB 0.898 31.247 30.300 0.081 0.000 0.976 263 R HN 0.519 nan 8.270 nan 0.000 0.443 264 A N 1.511 124.328 122.820 -0.005 0.000 2.257 264 A HA 0.735 5.230 4.320 0.291 0.000 0.289 264 A C 0.587 178.144 177.584 -0.045 0.000 1.095 264 A CA 0.369 52.388 52.037 -0.030 0.000 0.836 264 A CB 0.650 19.625 19.000 -0.041 0.000 1.111 264 A HN 0.841 nan 8.150 nan 0.000 0.497 265 G N -1.163 107.611 108.800 -0.043 0.000 2.566 265 G HA2 0.350 4.484 3.960 0.291 0.000 0.599 265 G HA3 0.350 4.484 3.960 0.291 0.000 0.599 265 G C 0.023 174.900 174.900 -0.039 0.000 1.292 265 G CA 0.168 45.241 45.100 -0.045 0.000 0.922 265 G HN 2.199 nan 8.290 nan 0.000 0.514 266 T N -2.030 112.502 114.554 -0.036 0.000 2.904 266 T HA 0.543 5.068 4.350 0.291 0.000 0.290 266 T C 0.699 175.383 174.700 -0.028 0.000 1.018 266 T CA 0.037 62.119 62.100 -0.030 0.000 1.075 266 T CB 1.487 70.339 68.868 -0.026 0.000 0.986 266 T HN 1.575 nan 8.240 nan 0.000 0.523 267 V N 3.915 123.815 119.914 -0.023 0.000 2.420 267 V HA 0.210 4.505 4.120 0.291 0.000 0.274 267 V C 1.859 177.943 176.094 -0.016 0.000 1.003 267 V CA 0.628 62.916 62.300 -0.020 0.000 1.092 267 V CB -0.364 31.451 31.823 -0.012 0.000 1.002 267 V HN 1.209 nan 8.190 nan 0.000 0.473 268 G N 4.473 113.262 108.800 -0.019 0.000 2.422 268 G HA2 -0.077 4.058 3.960 0.291 0.000 0.218 268 G HA3 -0.077 4.058 3.960 0.291 0.000 0.218 268 G C 0.512 175.407 174.900 -0.007 0.000 1.140 268 G CA 0.303 45.394 45.100 -0.015 0.000 0.775 268 G HN 0.653 nan 8.290 nan 0.000 0.545 269 E N -0.642 119.556 120.200 -0.004 0.000 2.304 269 E HA 0.277 4.801 4.350 0.291 0.000 0.277 269 E C -1.484 175.124 176.600 0.014 0.000 0.898 269 E CA -0.671 55.732 56.400 0.005 0.000 0.764 269 E CB 1.541 31.243 29.700 0.003 0.000 1.216 269 E HN 0.116 nan 8.360 nan 0.000 0.419 270 N N 0.423 119.138 118.700 0.024 0.000 2.508 270 N HA 0.275 5.189 4.740 0.291 0.000 0.285 270 N C -0.952 174.598 175.510 0.066 0.000 1.144 270 N CA -0.386 52.688 53.050 0.041 0.000 0.978 270 N CB 1.305 39.819 38.487 0.046 0.000 1.180 270 N HN 0.068 nan 8.380 nan 0.000 0.484 271 V N 3.251 123.224 119.914 0.099 0.000 2.508 271 V HA 0.211 4.505 4.120 0.291 0.000 0.281 271 V C -1.886 174.329 176.094 0.201 0.000 1.041 271 V CA -1.165 61.225 62.300 0.151 0.000 1.016 271 V CB 0.720 32.651 31.823 0.179 0.000 0.984 271 V HN 0.669 nan 8.190 nan 0.000 0.478 272 P HA 0.173 nan 4.420 nan 0.000 0.271 272 P C -0.203 177.104 177.300 0.011 0.000 1.216 272 P CA -0.387 62.756 63.100 0.071 0.000 0.776 272 P CB 0.434 32.158 31.700 0.041 0.000 0.881 273 D N 0.365 120.696 120.400 -0.116 0.000 2.332 273 D HA -0.076 4.739 4.640 0.291 0.000 0.244 273 D C 0.146 176.207 176.300 -0.398 0.000 1.136 273 D CA 0.404 54.158 54.000 -0.410 0.000 0.884 273 D CB -0.596 40.045 40.800 -0.265 0.000 0.906 273 D HN 0.350 nan 8.370 nan 0.000 0.520 274 D N -0.135 120.134 120.400 -0.219 0.000 2.469 274 D HA 0.009 4.824 4.640 0.291 0.000 0.213 274 D C 1.432 177.692 176.300 -0.066 0.000 1.135 274 D CA -0.167 53.754 54.000 -0.133 0.000 0.834 274 D CB -0.132 40.631 40.800 -0.062 0.000 1.009 274 D HN 0.263 nan 8.370 nan 0.000 0.507 275 L N 0.045 121.261 121.223 -0.012 0.000 2.629 275 L HA 0.244 4.758 4.340 0.291 0.000 0.230 275 L C 0.050 177.071 176.870 0.250 0.000 1.151 275 L CA -0.153 54.763 54.840 0.127 0.000 0.924 275 L CB -0.744 41.436 42.059 0.200 0.000 1.137 275 L HN 0.083 nan 8.230 nan 0.000 0.457 276 Y N -2.202 118.115 120.300 0.028 0.000 2.952 276 Y HA 0.680 5.405 4.550 0.291 0.000 0.333 276 Y C -1.294 174.622 175.900 0.028 0.000 1.505 276 Y CA -1.990 56.129 58.100 0.032 0.000 1.102 276 Y CB 0.823 39.308 38.460 0.042 0.000 2.289 276 Y HN -0.230 nan 8.280 nan 0.000 0.401 277 I N 1.017 121.805 120.570 0.363 0.000 2.802 277 I HA 0.394 4.739 4.170 0.291 0.000 0.298 277 I C -0.738 175.559 176.117 0.299 0.000 1.176 277 I CA -1.494 59.901 61.300 0.158 0.000 1.025 277 I CB 2.076 40.131 38.000 0.092 0.000 1.243 277 I HN 0.418 nan 8.210 nan 0.000 0.424 278 K N 1.904 122.408 120.400 0.172 0.000 2.229 278 K HA 0.288 4.783 4.320 0.291 0.000 0.250 278 K C 0.422 177.099 176.600 0.129 0.000 1.016 278 K CA 0.212 56.606 56.287 0.179 0.000 0.866 278 K CB 0.646 33.198 32.500 0.087 0.000 1.028 278 K HN 0.951 nan 8.250 nan 0.000 0.514 279 G N -0.403 108.449 108.800 0.087 0.000 3.392 279 G HA2 0.304 4.438 3.960 0.291 0.000 0.185 279 G HA3 0.304 4.438 3.960 0.291 0.000 0.185 279 G C -0.938 173.977 174.900 0.025 0.000 1.206 279 G CA -0.138 44.996 45.100 0.057 0.000 0.776 279 G HN 0.566 nan 8.290 nan 0.000 0.697 280 S N -1.127 114.576 115.700 0.006 0.000 2.575 280 S HA 0.567 5.212 4.470 0.291 0.000 0.278 280 S C 0.891 175.471 174.600 -0.034 0.000 1.139 280 S CA 0.742 58.938 58.200 -0.007 0.000 0.954 280 S CB 1.221 64.424 63.200 0.005 0.000 1.054 280 S HN 2.350 nan 8.310 nan 0.000 0.483 281 G N 4.426 113.202 108.800 -0.039 0.000 2.684 281 G HA2 -0.465 3.670 3.960 0.291 0.000 0.358 281 G HA3 -0.465 3.670 3.960 0.291 0.000 0.358 281 G C 1.427 176.262 174.900 -0.108 0.000 1.164 281 G CA 2.527 47.592 45.100 -0.057 0.000 0.935 281 G HN 2.055 nan 8.290 nan 0.000 0.574 282 S N -0.177 115.459 115.700 -0.108 0.000 2.414 282 S HA -0.297 4.347 4.470 0.291 0.000 0.238 282 S C 2.429 176.782 174.600 -0.412 0.000 1.055 282 S CA 4.118 62.201 58.200 -0.195 0.000 1.174 282 S CB -1.762 61.384 63.200 -0.091 0.000 1.087 282 S HN 2.122 nan 8.310 nan 0.000 0.428 283 T N -0.420 113.974 114.554 -0.267 0.000 3.155 283 T HA 0.367 4.891 4.350 0.291 0.000 0.264 283 T C 1.256 175.861 174.700 -0.158 0.000 1.160 283 T CA 0.699 62.670 62.100 -0.214 0.000 1.075 283 T CB -0.428 68.489 68.868 0.080 0.000 0.921 283 T HN 0.608 nan 8.240 nan 0.000 0.533 284 A N 0.705 123.435 122.820 -0.151 0.000 2.345 284 A HA 0.408 4.903 4.320 0.291 0.000 0.225 284 A C 0.833 178.369 177.584 -0.080 0.000 1.243 284 A CA -0.485 51.513 52.037 -0.066 0.000 0.875 284 A CB -0.129 18.850 19.000 -0.035 0.000 0.929 284 A HN 0.409 nan 8.150 nan 0.000 0.502 285 N N 0.631 119.229 118.700 -0.171 0.000 2.776 285 N HA 0.396 5.310 4.740 0.291 0.000 0.245 285 N C -1.183 174.229 175.510 -0.163 0.000 1.121 285 N CA -0.468 52.495 53.050 -0.144 0.000 0.852 285 N CB 0.285 38.687 38.487 -0.143 0.000 1.142 285 N HN 0.055 nan 8.380 nan 0.000 0.514 286 L N 1.672 122.849 121.223 -0.076 0.000 2.640 286 L HA 0.104 4.618 4.340 0.291 0.000 0.280 286 L C 0.960 177.850 176.870 0.033 0.000 1.229 286 L CA 0.413 55.249 54.840 -0.007 0.000 0.919 286 L CB -0.393 41.629 42.059 -0.061 0.000 1.168 286 L HN 0.465 nan 8.230 nan 0.000 0.496 287 A N 3.015 125.932 122.820 0.161 0.000 2.264 287 A HA 0.474 4.968 4.320 0.291 0.000 0.304 287 A C 0.477 178.069 177.584 0.013 0.000 1.100 287 A CA -0.495 51.617 52.037 0.124 0.000 0.839 287 A CB 0.486 19.657 19.000 0.284 0.000 1.121 287 A HN 0.622 nan 8.150 nan 0.000 0.496 288 S N 0.281 115.962 115.700 -0.032 0.000 2.998 288 S HA -0.013 4.631 4.470 0.291 0.000 0.348 288 S C 1.200 175.653 174.600 -0.246 0.000 1.210 288 S CA 0.700 58.834 58.200 -0.110 0.000 1.118 288 S CB -0.287 62.855 63.200 -0.097 0.000 0.832 288 S HN 0.874 nan 8.310 nan 0.000 0.516 289 S N 4.153 119.713 115.700 -0.233 0.000 2.803 289 S HA 0.151 4.795 4.470 0.291 0.000 0.228 289 S C 0.417 174.732 174.600 -0.476 0.000 0.953 289 S CA -0.358 57.620 58.200 -0.369 0.000 0.983 289 S CB -0.613 62.511 63.200 -0.128 0.000 0.784 289 S HN 0.785 nan 8.310 nan 0.000 0.498 290 N N 1.972 120.435 118.700 -0.395 0.000 3.229 290 N HA 0.181 5.096 4.740 0.291 0.000 0.275 290 N C -1.128 174.268 175.510 -0.190 0.000 1.225 290 N CA -0.319 52.604 53.050 -0.211 0.000 1.119 290 N CB 0.355 38.799 38.487 -0.073 0.000 1.392 290 N HN 0.362 nan 8.380 nan 0.000 0.520 291 Y N 1.199 121.551 120.300 0.087 0.000 2.335 291 Y HA 0.251 4.976 4.550 0.290 0.000 0.348 291 Y C 0.310 176.328 175.900 0.196 0.000 1.280 291 Y CA -0.460 57.690 58.100 0.084 0.000 1.504 291 Y CB 0.265 38.739 38.460 0.024 0.000 1.366 291 Y HN 0.246 nan 8.280 nan 0.000 0.621 292 F N 0.042 120.140 119.950 0.248 0.000 2.639 292 F HA 0.667 5.368 4.527 0.289 0.000 0.320 292 F C -3.715 172.216 175.800 0.218 0.000 1.128 292 F CA -2.814 55.304 58.000 0.197 0.000 1.037 292 F CB 1.481 40.554 39.000 0.122 0.000 1.288 292 F HN 0.177 nan 8.300 nan 0.000 0.463 293 P HA 0.409 nan 4.420 nan 0.000 0.295 293 P C -1.090 176.356 177.300 0.244 0.000 1.319 293 P CA -0.395 62.744 63.100 0.065 0.000 0.940 293 P CB 2.429 34.139 31.700 0.017 0.000 1.192 294 T N 0.058 114.606 114.554 -0.009 0.000 2.909 294 T HA 0.483 5.007 4.350 0.291 0.000 0.289 294 T C -2.048 172.530 174.700 -0.203 0.000 1.005 294 T CA -1.833 60.271 62.100 0.007 0.000 1.084 294 T CB 0.814 69.673 68.868 -0.014 0.000 0.975 294 T HN 0.341 nan 8.240 nan 0.000 0.509 295 P HA 0.481 nan 4.420 nan 0.000 0.284 295 P C -0.932 176.164 177.300 -0.340 0.000 1.287 295 P CA -0.762 62.158 63.100 -0.299 0.000 0.824 295 P CB 1.643 33.181 31.700 -0.268 0.000 1.180 296 S N -0.851 114.623 115.700 -0.376 0.000 2.689 296 S HA 0.547 5.191 4.470 0.291 0.000 0.274 296 S C -0.548 173.997 174.600 -0.092 0.000 1.176 296 S CA -0.618 57.346 58.200 -0.394 0.000 1.014 296 S CB 0.031 62.615 63.200 -1.027 0.000 1.071 296 S HN 0.613 nan 8.310 nan 0.000 0.478 297 G N 2.867 111.667 108.800 -0.000 0.000 2.404 297 G HA2 0.468 4.603 3.960 0.291 0.000 0.316 297 G HA3 0.468 4.603 3.960 0.291 0.000 0.316 297 G C 0.335 175.303 174.900 0.114 0.000 1.074 297 G CA -0.231 44.921 45.100 0.087 0.000 0.989 297 G HN 0.729 nan 8.290 nan 0.000 0.430 298 S N 3.007 118.819 115.700 0.187 0.000 2.602 298 S HA 0.279 4.924 4.470 0.291 0.000 0.257 298 S C 1.163 175.822 174.600 0.098 0.000 1.250 298 S CA -0.599 57.717 58.200 0.194 0.000 0.986 298 S CB 0.219 63.523 63.200 0.173 0.000 1.040 298 S HN 0.574 nan 8.310 nan 0.000 0.562 299 M N 2.341 121.983 119.600 0.069 0.000 2.274 299 M HA 0.035 4.689 4.480 0.291 0.000 0.377 299 M C -0.392 175.929 176.300 0.034 0.000 1.428 299 M CA -0.114 55.209 55.300 0.039 0.000 0.907 299 M CB 0.060 32.672 32.600 0.020 0.000 1.974 299 M HN 0.536 nan 8.290 nan 0.000 0.479 300 V N 3.441 123.373 119.914 0.031 0.000 2.455 300 V HA 0.491 4.786 4.120 0.291 0.000 0.273 300 V C -0.067 176.040 176.094 0.022 0.000 1.045 300 V CA -0.364 61.955 62.300 0.030 0.000 0.976 300 V CB 1.029 32.872 31.823 0.033 0.000 0.993 300 V HN 0.872 nan 8.190 nan 0.000 0.475 301 T N 2.773 117.339 114.554 0.019 0.000 2.863 301 T HA 0.405 4.929 4.350 0.291 0.000 0.285 301 T C 1.014 175.721 174.700 0.012 0.000 1.009 301 T CA 0.194 62.301 62.100 0.011 0.000 0.989 301 T CB 1.921 70.792 68.868 0.004 0.000 1.004 301 T HN 1.083 nan 8.240 nan 0.000 0.455 302 S N 2.499 118.203 115.700 0.008 0.000 2.428 302 S HA -0.028 4.616 4.470 0.291 0.000 0.230 302 S C 0.922 175.524 174.600 0.004 0.000 1.014 302 S CA 1.169 59.374 58.200 0.009 0.000 0.957 302 S CB -0.610 62.593 63.200 0.005 0.000 0.784 302 S HN 0.827 nan 8.310 nan 0.000 0.499 303 D N 1.264 121.663 120.400 -0.001 0.000 2.489 303 D HA 0.312 5.127 4.640 0.291 0.000 0.264 303 D C 0.664 176.958 176.300 -0.010 0.000 1.294 303 D CA 0.735 54.730 54.000 -0.007 0.000 0.938 303 D CB 0.002 40.797 40.800 -0.009 0.000 0.985 303 D HN 0.441 nan 8.370 nan 0.000 0.492 304 A N -0.484 122.331 122.820 -0.008 0.000 2.699 304 A HA 0.037 4.532 4.320 0.291 0.000 0.242 304 A C 0.558 178.129 177.584 -0.022 0.000 1.142 304 A CA -0.408 51.620 52.037 -0.016 0.000 1.008 304 A CB 0.414 19.410 19.000 -0.007 0.000 1.232 304 A HN -0.024 nan 8.150 nan 0.000 0.574 305 Q N 0.207 120.002 119.800 -0.009 0.000 2.392 305 Q HA 0.228 4.742 4.340 0.291 0.000 0.262 305 Q C 0.747 176.694 176.000 -0.089 0.000 1.003 305 Q CA 0.098 55.903 55.803 0.003 0.000 0.888 305 Q CB 0.895 29.659 28.738 0.043 0.000 1.260 305 Q HN 0.408 nan 8.270 nan 0.000 0.435 306 I N 0.987 121.406 120.570 -0.252 0.000 4.187 306 I HA 0.089 4.433 4.170 0.291 0.000 0.326 306 I C 0.463 176.239 176.117 -0.568 0.000 1.302 306 I CA 0.371 61.384 61.300 -0.479 0.000 1.196 306 I CB -0.059 37.474 38.000 -0.777 0.000 1.095 306 I HN 0.378 nan 8.210 nan 0.000 0.411 307 F N 0.797 120.800 119.950 0.088 0.000 2.377 307 F HA 0.305 5.007 4.527 0.291 0.000 0.335 307 F C 1.541 177.318 175.800 -0.038 0.000 1.099 307 F CA -0.524 57.515 58.000 0.064 0.000 1.072 307 F CB -0.052 38.958 39.000 0.017 0.000 1.417 307 F HN -0.119 nan 8.300 nan 0.000 0.495 308 N N -0.340 118.416 118.700 0.094 0.000 2.690 308 N HA -0.259 4.656 4.740 0.291 0.000 0.249 308 N C -0.731 174.699 175.510 -0.134 0.000 1.125 308 N CA 0.995 54.011 53.050 -0.058 0.000 0.794 308 N CB -0.674 37.804 38.487 -0.015 0.000 1.152 308 N HN 0.443 nan 8.380 nan 0.000 0.571 309 K N 0.168 120.456 120.400 -0.187 0.000 2.259 309 K HA 0.422 4.916 4.320 0.291 0.000 0.252 309 K C -2.690 173.559 176.600 -0.584 0.000 0.936 309 K CA -2.086 54.057 56.287 -0.240 0.000 0.810 309 K CB 1.922 34.375 32.500 -0.079 0.000 1.143 309 K HN -0.131 nan 8.250 nan 0.000 0.427 310 P HA 0.133 nan 4.420 nan 0.000 0.290 310 P C -1.424 175.276 177.300 -1.000 0.000 1.276 310 P CA -0.234 62.243 63.100 -1.038 0.000 0.808 310 P CB 0.469 31.564 31.700 -1.008 0.000 0.966 311 Y N 1.121 120.916 120.300 -0.842 0.000 2.342 311 Y HA 0.298 5.022 4.550 0.290 0.000 0.338 311 Y C 0.238 175.601 175.900 -0.896 0.000 0.965 311 Y CA -0.990 56.619 58.100 -0.819 0.000 1.159 311 Y CB 1.041 38.974 38.460 -0.877 0.000 1.157 311 Y HN 0.316 nan 8.280 nan 0.000 0.486 312 W N 5.721 126.815 121.300 -0.344 0.000 2.357 312 W HA 0.375 5.210 4.660 0.292 0.000 0.317 312 W C -0.172 176.105 176.519 -0.403 0.000 1.101 312 W CA -0.727 56.410 57.345 -0.348 0.000 1.380 312 W CB 0.806 30.143 29.460 -0.205 0.000 1.266 312 W HN 0.522 nan 8.180 nan 0.000 0.419 313 L N 4.707 125.828 121.223 -0.171 0.000 2.805 313 L HA 0.023 4.537 4.340 0.291 0.000 0.237 313 L C 2.113 178.878 176.870 -0.176 0.000 1.252 313 L CA -0.092 54.593 54.840 -0.258 0.000 1.064 313 L CB -0.707 41.144 42.059 -0.347 0.000 1.361 313 L HN 0.598 nan 8.230 nan 0.000 0.474 314 Q N 0.629 120.364 119.800 -0.109 0.000 2.062 314 Q HA -0.188 4.327 4.340 0.291 0.000 0.209 314 Q C 1.094 177.052 176.000 -0.070 0.000 0.996 314 Q CA 1.315 57.068 55.803 -0.084 0.000 0.859 314 Q CB -0.084 28.613 28.738 -0.067 0.000 0.920 314 Q HN 0.493 nan 8.270 nan 0.000 0.415 315 R N -0.396 120.074 120.500 -0.050 0.000 2.943 315 R HA 0.778 5.292 4.340 0.291 0.000 0.246 315 R C -1.633 174.660 176.300 -0.012 0.000 1.201 315 R CA -0.053 56.030 56.100 -0.028 0.000 1.056 315 R CB 2.274 32.570 30.300 -0.007 0.000 1.243 315 R HN 0.330 nan 8.270 nan 0.000 0.498 316 A N 0.650 123.483 122.820 0.021 0.000 2.547 316 A HA 0.153 4.648 4.320 0.291 0.000 0.300 316 A C -0.645 176.989 177.584 0.084 0.000 1.061 316 A CA -0.777 51.310 52.037 0.083 0.000 0.808 316 A CB 1.371 20.425 19.000 0.089 0.000 1.304 316 A HN 0.717 nan 8.150 nan 0.000 0.393 317 Q N 1.365 121.227 119.800 0.104 0.000 2.364 317 Q HA 0.212 4.726 4.340 0.291 0.000 0.207 317 Q C 0.929 176.958 176.000 0.049 0.000 0.970 317 Q CA 1.318 57.157 55.803 0.061 0.000 0.888 317 Q CB -0.425 28.356 28.738 0.072 0.000 0.951 317 Q HN 1.151 nan 8.270 nan 0.000 0.469 318 G N -0.692 108.188 108.800 0.133 0.000 2.444 318 G HA2 0.248 4.383 3.960 0.291 0.000 0.268 318 G HA3 0.248 4.383 3.960 0.291 0.000 0.268 318 G C -0.602 174.410 174.900 0.188 0.000 1.203 318 G CA -0.472 44.745 45.100 0.194 0.000 0.835 318 G HN 0.270 nan 8.290 nan 0.000 0.543 319 H N 0.212 119.408 119.070 0.209 0.000 2.353 319 H HA -0.074 4.657 4.556 0.291 0.000 0.300 319 H C 1.716 177.208 175.328 0.274 0.000 1.090 319 H CA 1.278 57.465 56.048 0.231 0.000 1.327 319 H CB 0.144 30.063 29.762 0.262 0.000 1.383 319 H HN 0.453 nan 8.280 nan 0.000 0.508 320 N N 0.871 119.857 118.700 0.476 0.000 2.479 320 N HA -0.102 4.812 4.740 0.291 0.000 0.257 320 N C 0.185 175.849 175.510 0.257 0.000 1.232 320 N CA 0.358 53.643 53.050 0.392 0.000 0.920 320 N CB 0.648 39.420 38.487 0.475 0.000 1.105 320 N HN 0.272 nan 8.380 nan 0.000 0.444 321 N N 0.699 119.439 118.700 0.066 0.000 2.143 321 N HA 0.248 5.162 4.740 0.291 0.000 0.229 321 N C 0.042 175.369 175.510 -0.306 0.000 1.294 321 N CA 0.372 53.369 53.050 -0.088 0.000 0.883 321 N CB 0.448 38.901 38.487 -0.056 0.000 1.148 321 N HN 0.711 nan 8.380 nan 0.000 0.511 322 G N -0.138 108.481 108.800 -0.302 0.000 3.732 322 G HA2 0.020 4.155 3.960 0.291 0.000 0.220 322 G HA3 0.020 4.155 3.960 0.291 0.000 0.220 322 G C -0.661 174.142 174.900 -0.163 0.000 0.903 322 G CA -0.435 44.478 45.100 -0.312 0.000 0.896 322 G HN 0.089 nan 8.290 nan 0.000 0.685 323 I N 2.394 122.805 120.570 -0.264 0.000 2.294 323 I HA 0.235 4.580 4.170 0.291 0.000 0.295 323 I C 0.662 176.504 176.117 -0.458 0.000 1.098 323 I CA -0.848 60.106 61.300 -0.576 0.000 1.277 323 I CB -0.011 37.247 38.000 -1.237 0.000 1.434 323 I HN 0.097 nan 8.210 nan 0.000 0.498 324 C N 5.732 124.942 119.300 -0.150 0.000 3.424 324 C HA 0.077 4.711 4.460 0.291 0.000 0.577 324 C C 0.731 175.751 174.990 0.050 0.000 1.086 324 C CA -1.080 57.948 59.018 0.015 0.000 1.153 324 C CB -2.452 25.365 27.740 0.128 0.000 1.411 324 C HN 0.637 nan 8.230 nan 0.000 0.636 325 W N 1.194 122.524 121.300 0.050 0.000 2.797 325 W HA 0.334 5.169 4.660 0.291 0.000 0.371 325 W C 1.319 177.774 176.519 -0.106 0.000 1.334 325 W CA 0.911 58.223 57.345 -0.054 0.000 1.333 325 W CB -0.178 29.243 29.460 -0.065 0.000 1.445 325 W HN 0.910 nan 8.180 nan 0.000 0.579 326 G N 2.240 111.119 108.800 0.132 0.000 2.218 326 G HA2 -0.343 3.791 3.960 0.291 0.000 0.216 326 G HA3 -0.343 3.791 3.960 0.291 0.000 0.216 326 G C 0.392 175.306 174.900 0.024 0.000 0.994 326 G CA -0.161 44.948 45.100 0.016 0.000 0.637 326 G HN 0.600 nan 8.290 nan 0.000 0.505 327 N N -0.476 118.255 118.700 0.052 0.000 2.818 327 N HA -0.146 4.768 4.740 0.291 0.000 0.250 327 N C 0.154 175.619 175.510 -0.075 0.000 1.108 327 N CA 1.774 54.830 53.050 0.010 0.000 0.745 327 N CB -1.316 37.188 38.487 0.027 0.000 1.104 327 N HN 0.841 nan 8.380 nan 0.000 0.557 328 Q N 0.065 119.807 119.800 -0.097 0.000 2.235 328 Q HA 0.735 5.250 4.340 0.291 0.000 0.256 328 Q C -0.387 175.482 176.000 -0.219 0.000 0.951 328 Q CA -0.405 55.256 55.803 -0.237 0.000 0.890 328 Q CB 2.136 30.674 28.738 -0.334 0.000 1.279 328 Q HN 0.244 nan 8.270 nan 0.000 0.444 329 L N 2.706 123.753 121.223 -0.293 0.000 2.464 329 L HA 0.491 5.006 4.340 0.291 0.000 0.266 329 L C -1.673 175.166 176.870 -0.052 0.000 0.965 329 L CA -0.444 54.342 54.840 -0.090 0.000 0.833 329 L CB 1.547 43.613 42.059 0.011 0.000 1.296 329 L HN 0.704 nan 8.230 nan 0.000 0.405 330 F N 4.426 124.369 119.950 -0.012 0.000 2.366 330 F HA 0.359 5.061 4.527 0.291 0.000 0.366 330 F C -0.084 175.744 175.800 0.047 0.000 1.096 330 F CA -1.021 56.943 58.000 -0.059 0.000 1.060 330 F CB 1.884 40.758 39.000 -0.209 0.000 1.282 330 F HN 0.061 nan 8.300 nan 0.000 0.450 331 V N 2.973 123.092 119.914 0.341 0.000 2.348 331 V HA 0.220 4.514 4.120 0.291 0.000 0.270 331 V C -0.029 176.257 176.094 0.321 0.000 1.037 331 V CA -0.432 62.056 62.300 0.313 0.000 0.872 331 V CB 1.199 33.204 31.823 0.303 0.000 1.002 331 V HN 0.660 nan 8.190 nan 0.000 0.464 332 T N 3.948 118.633 114.554 0.219 0.000 2.756 332 T HA 0.638 5.162 4.350 0.291 0.000 0.290 332 T C -0.311 174.549 174.700 0.267 0.000 0.985 332 T CA -0.545 61.679 62.100 0.206 0.000 0.955 332 T CB 1.438 70.374 68.868 0.113 0.000 0.930 332 T HN 0.263 nan 8.240 nan 0.000 0.451 333 V N 3.644 123.743 119.914 0.309 0.000 2.555 333 V HA 0.597 4.891 4.120 0.291 0.000 0.302 333 V C -0.321 175.889 176.094 0.194 0.000 1.038 333 V CA -0.784 61.700 62.300 0.306 0.000 0.887 333 V CB 2.073 34.102 31.823 0.342 0.000 0.991 333 V HN 0.753 nan 8.190 nan 0.000 0.434 334 V N 3.289 123.293 119.914 0.149 0.000 2.483 334 V HA 0.516 4.810 4.120 0.291 0.000 0.297 334 V C -1.139 175.013 176.094 0.096 0.000 1.027 334 V CA -0.378 61.925 62.300 0.005 0.000 0.855 334 V CB 1.913 33.637 31.823 -0.166 0.000 0.995 334 V HN 0.997 nan 8.190 nan 0.000 0.424 335 D N 2.325 122.743 120.400 0.031 0.000 2.402 335 D HA 0.332 5.146 4.640 0.291 0.000 0.252 335 D C 0.911 177.232 176.300 0.036 0.000 1.294 335 D CA 0.202 54.208 54.000 0.011 0.000 0.948 335 D CB 1.939 42.592 40.800 -0.246 0.000 1.202 335 D HN 0.603 nan 8.370 nan 0.000 0.561 336 T N -0.867 113.731 114.554 0.075 0.000 3.035 336 T HA -0.099 4.426 4.350 0.291 0.000 0.259 336 T C 1.780 176.519 174.700 0.065 0.000 1.078 336 T CA 1.146 63.292 62.100 0.077 0.000 1.132 336 T CB -0.404 68.516 68.868 0.087 0.000 0.900 336 T HN 0.319 nan 8.240 nan 0.000 0.480 337 T N 0.652 115.248 114.554 0.070 0.000 3.026 337 T HA -0.040 4.485 4.350 0.291 0.000 0.271 337 T C 1.085 175.806 174.700 0.036 0.000 1.149 337 T CA 0.613 62.746 62.100 0.056 0.000 1.088 337 T CB -0.536 68.375 68.868 0.071 0.000 0.857 337 T HN 0.527 nan 8.240 nan 0.000 0.551 338 R N 0.435 120.955 120.500 0.034 0.000 2.647 338 R HA 0.275 4.789 4.340 0.291 0.000 0.295 338 R C 0.725 177.091 176.300 0.111 0.000 1.267 338 R CA 0.111 56.233 56.100 0.036 0.000 1.386 338 R CB 0.799 31.090 30.300 -0.014 0.000 1.309 338 R HN 0.411 nan 8.270 nan 0.000 0.692 339 S N -1.449 114.291 115.700 0.066 0.000 2.517 339 S HA -0.005 4.639 4.470 0.291 0.000 0.214 339 S C 0.928 175.336 174.600 -0.320 0.000 0.991 339 S CA -0.204 57.979 58.200 -0.028 0.000 0.906 339 S CB 0.318 63.499 63.200 -0.032 0.000 0.789 339 S HN 0.131 nan 8.310 nan 0.000 0.513 340 T N 5.247 119.720 114.554 -0.135 0.000 2.656 340 T HA 0.038 4.562 4.350 0.291 0.000 0.263 340 T C -0.152 174.407 174.700 -0.235 0.000 1.017 340 T CA 0.338 62.352 62.100 -0.144 0.000 1.216 340 T CB -0.761 68.084 68.868 -0.038 0.000 0.989 340 T HN 0.695 nan 8.240 nan 0.000 0.507 341 N N 3.358 121.884 118.700 -0.290 0.000 2.372 341 N HA 0.506 5.420 4.740 0.291 0.000 0.291 341 N C -0.194 175.259 175.510 -0.095 0.000 1.024 341 N CA -1.086 51.815 53.050 -0.249 0.000 0.873 341 N CB 0.897 39.153 38.487 -0.386 0.000 1.206 341 N HN 0.542 nan 8.380 nan 0.000 0.486 342 M N -0.533 119.048 119.600 -0.032 0.000 2.318 342 M HA 0.577 5.231 4.480 0.291 0.000 0.347 342 M C -0.906 175.401 176.300 0.012 0.000 1.175 342 M CA -0.669 54.630 55.300 -0.001 0.000 1.075 342 M CB 1.396 34.009 32.600 0.021 0.000 1.614 342 M HN 0.472 nan 8.290 nan 0.000 0.456 343 S N 4.570 120.287 115.700 0.028 0.000 2.541 343 S HA 0.819 5.463 4.470 0.291 0.000 0.283 343 S C -0.327 174.321 174.600 0.081 0.000 1.196 343 S CA -1.043 57.192 58.200 0.058 0.000 1.062 343 S CB 1.251 64.485 63.200 0.058 0.000 1.009 343 S HN 0.782 nan 8.310 nan 0.000 0.502 344 L N -0.123 121.178 121.223 0.130 0.000 2.386 344 L HA 0.939 5.453 4.340 0.291 0.000 0.271 344 L C -0.569 176.449 176.870 0.248 0.000 0.993 344 L CA -1.029 53.902 54.840 0.152 0.000 0.819 344 L CB 1.368 43.495 42.059 0.113 0.000 1.294 344 L HN 0.915 nan 8.230 nan 0.000 0.414 345 C N 1.224 120.660 119.300 0.226 0.000 2.563 345 C HA 1.023 5.657 4.460 0.291 0.000 0.314 345 C C 0.195 175.364 174.990 0.298 0.000 1.199 345 C CA -0.087 59.105 59.018 0.290 0.000 1.564 345 C CB 0.791 28.674 27.740 0.239 0.000 2.173 345 C HN 1.273 nan 8.230 nan 0.000 0.485 346 A N 2.218 125.225 122.820 0.310 0.000 2.374 346 A HA 0.960 5.455 4.320 0.291 0.000 0.317 346 A C -0.035 177.626 177.584 0.129 0.000 1.094 346 A CA 0.014 52.173 52.037 0.203 0.000 0.765 346 A CB 1.192 20.299 19.000 0.178 0.000 1.268 346 A HN 2.254 nan 8.150 nan 0.000 0.438 347 A N 0.529 123.330 122.820 -0.033 0.000 2.264 347 A HA 0.617 5.111 4.320 0.291 0.000 0.304 347 A C 0.664 178.122 177.584 -0.211 0.000 1.100 347 A CA -0.318 51.507 52.037 -0.354 0.000 0.839 347 A CB 0.279 18.960 19.000 -0.532 0.000 1.121 347 A HN 1.264 nan 8.150 nan 0.000 0.496 348 I N 0.232 120.631 120.570 -0.286 0.000 2.876 348 I HA 0.068 4.412 4.170 0.291 0.000 0.264 348 I C 0.496 176.527 176.117 -0.144 0.000 1.204 348 I CA 1.525 62.727 61.300 -0.164 0.000 1.485 348 I CB 0.043 37.951 38.000 -0.154 0.000 1.103 348 I HN 0.706 nan 8.210 nan 0.000 0.446 349 S N -2.156 113.424 115.700 -0.200 0.000 2.583 349 S HA 0.139 4.783 4.470 0.291 0.000 0.294 349 S C 0.349 174.853 174.600 -0.159 0.000 1.121 349 S CA -0.173 57.941 58.200 -0.145 0.000 0.910 349 S CB 0.096 63.233 63.200 -0.105 0.000 1.102 349 S HN 0.180 nan 8.310 nan 0.000 0.451 350 T N -0.007 114.489 114.554 -0.097 0.000 3.284 350 T HA 0.151 4.675 4.350 0.291 0.000 0.252 350 T C 1.269 175.946 174.700 -0.039 0.000 1.144 350 T CA 0.781 62.843 62.100 -0.063 0.000 1.021 350 T CB -0.553 68.299 68.868 -0.027 0.000 0.984 350 T HN 0.508 nan 8.240 nan 0.000 0.545 351 S N 1.285 116.955 115.700 -0.050 0.000 2.309 351 S HA 0.075 4.720 4.470 0.291 0.000 0.206 351 S C 0.516 175.107 174.600 -0.015 0.000 1.028 351 S CA 0.004 58.188 58.200 -0.027 0.000 0.972 351 S CB -0.478 62.704 63.200 -0.031 0.000 0.961 351 S HN 0.554 nan 8.310 nan 0.000 0.449 352 E N 1.425 121.611 120.200 -0.024 0.000 3.414 352 E HA -0.129 4.396 4.350 0.291 0.000 0.300 352 E C 0.734 177.353 176.600 0.030 0.000 0.862 352 E CA 1.048 57.448 56.400 -0.000 0.000 0.998 352 E CB 0.096 29.788 29.700 -0.013 0.000 0.990 352 E HN 0.586 nan 8.360 nan 0.000 0.516 353 T N -1.691 112.887 114.554 0.040 0.000 3.054 353 T HA 0.152 4.677 4.350 0.291 0.000 0.255 353 T C 0.300 175.046 174.700 0.077 0.000 1.035 353 T CA 0.140 62.273 62.100 0.055 0.000 0.941 353 T CB 0.069 68.960 68.868 0.040 0.000 1.026 353 T HN 0.464 nan 8.240 nan 0.000 0.533 354 T N -0.446 114.160 114.554 0.086 0.000 2.916 354 T HA 0.535 5.060 4.350 0.291 0.000 0.298 354 T C -0.852 173.940 174.700 0.153 0.000 1.031 354 T CA -0.965 61.204 62.100 0.116 0.000 0.993 354 T CB 1.471 70.392 68.868 0.089 0.000 1.045 354 T HN 0.181 nan 8.240 nan 0.000 0.454 355 Y N 2.486 122.839 120.300 0.089 0.000 2.811 355 Y HA 0.275 4.614 4.550 -0.352 0.000 0.334 355 Y C 0.166 176.144 175.900 0.131 0.000 1.247 355 Y CA 0.524 58.693 58.100 0.115 0.000 1.526 355 Y CB 0.417 38.884 38.460 0.011 0.000 1.284 355 Y HN 0.603 nan 8.280 nan 0.000 0.586 356 K N 5.735 125.836 120.400 -0.498 0.000 2.601 356 K HA 0.086 4.581 4.320 0.291 0.000 0.249 356 K C 0.192 176.595 176.600 -0.329 0.000 0.966 356 K CA -0.759 55.371 56.287 -0.263 0.000 0.827 356 K CB 1.521 33.977 32.500 -0.073 0.000 1.178 356 K HN 0.700 nan 8.250 nan 0.000 0.437 357 N N 0.752 119.372 118.700 -0.133 0.000 2.187 357 N HA -0.180 4.734 4.740 0.291 0.000 0.194 357 N C 0.725 176.240 175.510 0.010 0.000 1.002 357 N CA 1.998 55.051 53.050 0.007 0.000 0.882 357 N CB 0.110 38.666 38.487 0.116 0.000 1.003 357 N HN 0.600 nan 8.380 nan 0.000 0.443 358 T N -3.442 111.106 114.554 -0.010 0.000 3.269 358 T HA 0.242 4.766 4.350 0.291 0.000 0.269 358 T C 0.511 175.189 174.700 -0.037 0.000 0.993 358 T CA -0.543 61.554 62.100 -0.004 0.000 0.909 358 T CB -0.098 68.764 68.868 -0.010 0.000 1.115 358 T HN 0.065 nan 8.240 nan 0.000 0.543 359 N N 0.789 119.462 118.700 -0.046 0.000 2.187 359 N HA 0.263 5.178 4.740 0.291 0.000 0.212 359 N C -1.099 174.102 175.510 -0.516 0.000 1.152 359 N CA -0.660 52.253 53.050 -0.229 0.000 0.872 359 N CB 0.201 38.529 38.487 -0.264 0.000 1.025 359 N HN 0.369 nan 8.380 nan 0.000 0.514 360 F N 0.107 120.000 119.950 -0.095 0.000 2.588 360 F HA 0.430 5.348 4.527 0.651 0.000 0.314 360 F C -0.146 175.633 175.800 -0.035 0.000 1.134 360 F CA -0.943 57.031 58.000 -0.043 0.000 0.961 360 F CB 1.678 40.656 39.000 -0.036 0.000 1.239 360 F HN -0.356 nan 8.300 nan 0.000 0.448 361 K N 2.238 122.714 120.400 0.128 0.000 2.130 361 K HA 0.472 4.967 4.320 0.291 0.000 0.268 361 K C -0.661 175.892 176.600 -0.078 0.000 0.983 361 K CA -0.887 55.370 56.287 -0.050 0.000 0.893 361 K CB 1.415 33.870 32.500 -0.076 0.000 1.066 361 K HN 0.467 nan 8.250 nan 0.000 0.450 362 E N 2.390 122.429 120.200 -0.269 0.000 2.176 362 E HA 0.281 4.805 4.350 0.291 0.000 0.267 362 E C -1.277 175.190 176.600 -0.221 0.000 0.893 362 E CA -0.505 55.823 56.400 -0.121 0.000 0.761 362 E CB 1.415 31.103 29.700 -0.020 0.000 1.133 362 E HN 0.417 nan 8.360 nan 0.000 0.409 363 Y N 1.066 121.423 120.300 0.095 0.000 2.512 363 Y HA 0.447 5.173 4.550 0.294 0.000 0.348 363 Y C 0.033 175.961 175.900 0.046 0.000 0.990 363 Y CA -0.841 57.316 58.100 0.096 0.000 1.033 363 Y CB 1.846 40.360 38.460 0.091 0.000 1.259 363 Y HN 0.258 nan 8.280 nan 0.000 0.461 364 L N 4.045 125.352 121.223 0.140 0.000 2.317 364 L HA 0.669 5.183 4.340 0.291 0.000 0.281 364 L C -0.535 176.233 176.870 -0.170 0.000 1.024 364 L CA -0.880 53.917 54.840 -0.072 0.000 0.810 364 L CB 1.245 43.181 42.059 -0.205 0.000 1.240 364 L HN 0.600 nan 8.230 nan 0.000 0.427 365 R N 1.497 121.937 120.500 -0.100 0.000 2.774 365 R HA 0.523 5.037 4.340 0.291 0.000 0.272 365 R C -1.374 174.940 176.300 0.022 0.000 1.000 365 R CA -0.846 55.220 56.100 -0.056 0.000 0.906 365 R CB 2.242 32.543 30.300 0.001 0.000 1.227 365 R HN 0.667 nan 8.270 nan 0.000 0.468 366 H N -0.745 118.271 119.070 -0.091 0.000 2.865 366 H HA 0.553 5.283 4.556 0.291 0.000 0.362 366 H C -0.956 174.362 175.328 -0.017 0.000 1.114 366 H CA -0.681 55.330 56.048 -0.061 0.000 1.208 366 H CB 2.378 32.085 29.762 -0.093 0.000 1.727 366 H HN 0.766 nan 8.280 nan 0.000 0.534 367 G N 2.197 110.917 108.800 -0.134 0.000 2.454 367 G HA2 0.448 4.583 3.960 0.291 0.000 0.329 367 G HA3 0.448 4.583 3.960 0.291 0.000 0.329 367 G C -1.158 173.582 174.900 -0.268 0.000 1.177 367 G CA -0.534 44.481 45.100 -0.140 0.000 0.951 367 G HN 0.575 nan 8.290 nan 0.000 0.485 368 E N 0.481 120.612 120.200 -0.115 0.000 2.334 368 E HA 0.123 4.647 4.350 0.291 0.000 0.280 368 E C -1.315 175.297 176.600 0.020 0.000 0.899 368 E CA -0.397 55.955 56.400 -0.079 0.000 0.813 368 E CB 2.570 32.302 29.700 0.053 0.000 1.318 368 E HN 0.661 nan 8.360 nan 0.000 0.399 369 E N 3.180 123.328 120.200 -0.086 0.000 2.115 369 E HA 0.307 4.832 4.350 0.291 0.000 0.282 369 E C -1.184 175.332 176.600 -0.141 0.000 0.987 369 E CA -0.306 56.071 56.400 -0.039 0.000 0.797 369 E CB 0.784 30.450 29.700 -0.056 0.000 1.086 369 E HN 0.368 nan 8.360 nan 0.000 0.397 370 Y N 2.216 122.484 120.300 -0.055 0.000 2.549 370 Y HA 0.336 5.061 4.550 0.291 0.000 0.339 370 Y C -0.152 175.634 175.900 -0.190 0.000 1.053 370 Y CA -0.662 57.343 58.100 -0.158 0.000 1.105 370 Y CB 1.877 40.210 38.460 -0.211 0.000 1.258 370 Y HN 0.443 nan 8.280 nan 0.000 0.478 371 D N 3.010 123.403 120.400 -0.012 0.000 2.763 371 D HA 0.275 5.090 4.640 0.291 0.000 0.235 371 D C -1.723 174.438 176.300 -0.231 0.000 1.334 371 D CA -0.182 53.751 54.000 -0.113 0.000 0.950 371 D CB 1.330 42.080 40.800 -0.084 0.000 1.433 371 D HN 0.491 nan 8.370 nan 0.000 0.580 372 L N 2.271 123.323 121.223 -0.284 0.000 2.344 372 L HA 0.466 4.980 4.340 0.291 0.000 0.272 372 L C -0.086 176.540 176.870 -0.406 0.000 1.035 372 L CA -0.716 53.861 54.840 -0.438 0.000 0.807 372 L CB 1.821 43.679 42.059 -0.335 0.000 1.237 372 L HN 0.306 nan 8.230 nan 0.000 0.442 373 Q N 2.604 121.941 119.800 -0.772 0.000 2.331 373 Q HA 0.596 5.111 4.340 0.291 0.000 0.272 373 Q C -1.493 173.925 176.000 -0.970 0.000 1.062 373 Q CA -0.399 55.012 55.803 -0.654 0.000 0.806 373 Q CB 3.019 31.431 28.738 -0.544 0.000 1.312 373 Q HN 0.337 nan 8.270 nan 0.000 0.431 374 F N 1.104 120.621 119.950 -0.721 0.000 2.626 374 F HA 0.597 5.299 4.527 0.291 0.000 0.311 374 F C -0.452 174.843 175.800 -0.840 0.000 1.088 374 F CA -0.995 56.512 58.000 -0.821 0.000 0.949 374 F CB 1.492 39.921 39.000 -0.951 0.000 1.322 374 F HN 0.236 nan 8.300 nan 0.000 0.461 375 I N 2.246 122.467 120.570 -0.581 0.000 2.534 375 I HA 0.413 4.757 4.170 0.291 0.000 0.288 375 I C -1.249 174.635 176.117 -0.389 0.000 1.077 375 I CA -1.335 59.759 61.300 -0.344 0.000 1.051 375 I CB 1.520 39.318 38.000 -0.336 0.000 1.234 375 I HN 0.404 nan 8.210 nan 0.000 0.425 376 F N 3.848 123.835 119.950 0.062 0.000 2.540 376 F HA 0.464 5.165 4.527 0.291 0.000 0.317 376 F C 0.409 176.535 175.800 0.543 0.000 1.104 376 F CA -0.679 57.445 58.000 0.208 0.000 0.913 376 F CB 1.890 40.931 39.000 0.068 0.000 1.170 376 F HN 0.339 nan 8.300 nan 0.000 0.450 377 Q N 3.706 123.919 119.800 0.688 0.000 2.340 377 Q HA 0.394 4.909 4.340 0.291 0.000 0.259 377 Q C -1.157 174.986 176.000 0.238 0.000 0.964 377 Q CA -1.143 54.909 55.803 0.415 0.000 0.900 377 Q CB 1.478 30.406 28.738 0.316 0.000 1.228 377 Q HN 0.703 nan 8.270 nan 0.000 0.449 378 L N 4.325 125.559 121.223 0.017 0.000 2.410 378 L HA 0.225 4.739 4.340 0.291 0.000 0.273 378 L C -1.135 175.525 176.870 -0.351 0.000 1.152 378 L CA 0.464 55.053 54.840 -0.417 0.000 0.855 378 L CB 0.507 42.239 42.059 -0.546 0.000 1.129 378 L HN 0.797 nan 8.230 nan 0.000 0.463 379 C N 4.027 123.126 119.300 -0.334 0.000 2.822 379 C HA 0.805 5.440 4.460 0.291 0.000 0.341 379 C C -0.392 174.479 174.990 -0.198 0.000 1.301 379 C CA -0.938 57.949 59.018 -0.218 0.000 1.706 379 C CB 2.158 29.827 27.740 -0.119 0.000 2.178 379 C HN 0.913 nan 8.230 nan 0.000 0.481 380 K N 0.497 120.846 120.400 -0.086 0.000 2.469 380 K HA 0.824 5.319 4.320 0.291 0.000 0.254 380 K C -1.849 174.789 176.600 0.065 0.000 0.939 380 K CA -0.440 55.838 56.287 -0.014 0.000 0.812 380 K CB 1.503 34.021 32.500 0.029 0.000 1.301 380 K HN 0.574 nan 8.250 nan 0.000 0.433 381 I N 2.304 122.934 120.570 0.100 0.000 2.448 381 I HA 0.122 4.466 4.170 0.291 0.000 0.281 381 I C -0.330 175.819 176.117 0.053 0.000 1.027 381 I CA -0.759 60.628 61.300 0.145 0.000 1.111 381 I CB 2.124 40.314 38.000 0.316 0.000 1.236 381 I HN 0.738 nan 8.210 nan 0.000 0.452 382 T N 4.323 118.914 114.554 0.061 0.000 2.834 382 T HA 0.444 4.968 4.350 0.291 0.000 0.298 382 T C -0.266 174.448 174.700 0.023 0.000 0.966 382 T CA -0.559 61.553 62.100 0.021 0.000 1.141 382 T CB 0.715 69.603 68.868 0.032 0.000 0.905 382 T HN 0.190 nan 8.240 nan 0.000 0.535 383 L N 4.646 125.856 121.223 -0.021 0.000 2.283 383 L HA 0.404 4.919 4.340 0.291 0.000 0.287 383 L C 1.261 178.140 176.870 0.014 0.000 1.073 383 L CA 0.050 54.889 54.840 -0.002 0.000 0.822 383 L CB 0.691 42.722 42.059 -0.046 0.000 1.186 383 L HN 1.085 nan 8.230 nan 0.000 0.436 384 T N -0.022 114.554 114.554 0.036 0.000 2.780 384 T HA 0.724 5.249 4.350 0.291 0.000 0.263 384 T C 1.089 175.806 174.700 0.029 0.000 0.993 384 T CA 0.064 62.180 62.100 0.027 0.000 1.010 384 T CB 0.951 69.837 68.868 0.030 0.000 1.642 384 T HN 0.346 nan 8.240 nan 0.000 0.587 385 A N 0.737 123.570 122.820 0.022 0.000 1.835 385 A HA 0.114 4.609 4.320 0.291 0.000 0.213 385 A C 1.920 179.520 177.584 0.026 0.000 1.210 385 A CA 1.459 53.507 52.037 0.018 0.000 0.605 385 A CB -1.273 17.733 19.000 0.010 0.000 0.860 385 A HN 0.827 nan 8.150 nan 0.000 0.447 386 D N -0.241 120.172 120.400 0.021 0.000 2.264 386 D HA -0.031 4.783 4.640 0.291 0.000 0.208 386 D C 1.896 178.210 176.300 0.023 0.000 0.966 386 D CA 0.925 54.936 54.000 0.019 0.000 0.864 386 D CB -0.376 40.422 40.800 -0.003 0.000 0.933 386 D HN 0.198 nan 8.370 nan 0.000 0.499 387 V N 0.935 120.868 119.914 0.032 0.000 2.227 387 V HA -0.276 4.019 4.120 0.291 0.000 0.238 387 V C 2.477 178.633 176.094 0.103 0.000 1.039 387 V CA 1.758 64.090 62.300 0.053 0.000 0.990 387 V CB -0.642 31.245 31.823 0.107 0.000 0.635 387 V HN 0.128 nan 8.190 nan 0.000 0.453 388 M N 0.835 120.498 119.600 0.106 0.000 2.152 388 M HA -0.330 4.325 4.480 0.291 0.000 0.251 388 M C 2.292 178.665 176.300 0.121 0.000 1.080 388 M CA 3.193 58.565 55.300 0.121 0.000 1.079 388 M CB -0.688 31.956 32.600 0.074 0.000 1.317 388 M HN 0.707 nan 8.290 nan 0.000 0.404 389 T N -1.985 112.619 114.554 0.084 0.000 2.684 389 T HA -0.254 4.271 4.350 0.291 0.000 0.267 389 T C 1.634 176.427 174.700 0.155 0.000 1.036 389 T CA 1.719 63.873 62.100 0.090 0.000 1.148 389 T CB -1.155 67.749 68.868 0.061 0.000 0.863 389 T HN 0.596 nan 8.240 nan 0.000 0.436 390 Y N 2.251 122.530 120.300 -0.035 0.000 2.070 390 Y HA 0.042 4.766 4.550 0.291 0.000 0.280 390 Y C 2.218 178.057 175.900 -0.102 0.000 1.148 390 Y CA 0.916 58.965 58.100 -0.087 0.000 1.125 390 Y CB -0.640 37.662 38.460 -0.263 0.000 0.975 390 Y HN 0.211 nan 8.280 nan 0.000 0.492 391 I N -0.071 120.516 120.570 0.027 0.000 2.908 391 I HA -0.333 4.012 4.170 0.291 0.000 0.271 391 I C 2.320 178.364 176.117 -0.122 0.000 1.275 391 I CA 1.466 62.705 61.300 -0.102 0.000 1.446 391 I CB -0.478 37.587 38.000 0.108 0.000 1.092 391 I HN 0.437 nan 8.210 nan 0.000 0.482 392 H N 0.034 119.033 119.070 -0.119 0.000 2.406 392 H HA 0.072 4.803 4.556 0.291 0.000 0.304 392 H C 2.231 177.461 175.328 -0.163 0.000 1.042 392 H CA 0.976 56.954 56.048 -0.117 0.000 1.360 392 H CB 0.342 30.079 29.762 -0.042 0.000 1.448 392 H HN 0.100 nan 8.280 nan 0.000 0.553 393 S N 0.654 116.368 115.700 0.024 0.000 2.465 393 S HA -0.124 4.520 4.470 0.291 0.000 0.241 393 S C 2.066 176.516 174.600 -0.249 0.000 1.000 393 S CA 1.395 59.566 58.200 -0.048 0.000 0.964 393 S CB -0.103 63.114 63.200 0.027 0.000 0.763 393 S HN 0.474 nan 8.310 nan 0.000 0.512 394 M N 0.467 119.769 119.600 -0.497 0.000 2.530 394 M HA 0.178 4.833 4.480 0.291 0.000 0.245 394 M C 0.044 175.913 176.300 -0.717 0.000 1.198 394 M CA 1.050 55.790 55.300 -0.933 0.000 1.225 394 M CB 0.475 32.436 32.600 -1.065 0.000 1.232 394 M HN 0.115 nan 8.290 nan 0.000 0.494 395 N N -0.125 118.201 118.700 -0.623 0.000 2.747 395 N HA 0.116 5.030 4.740 0.291 0.000 0.262 395 N C 0.339 175.562 175.510 -0.478 0.000 1.261 395 N CA 0.078 52.814 53.050 -0.524 0.000 0.809 395 N CB 1.055 39.201 38.487 -0.568 0.000 1.450 395 N HN 0.322 nan 8.380 nan 0.000 0.560 396 S N 0.814 116.244 115.700 -0.451 0.000 2.368 396 S HA -0.314 4.331 4.470 0.291 0.000 0.226 396 S C 2.147 176.585 174.600 -0.270 0.000 1.044 396 S CA 2.271 60.210 58.200 -0.435 0.000 1.062 396 S CB -1.182 61.746 63.200 -0.453 0.000 0.931 396 S HN 0.753 nan 8.310 nan 0.000 0.440 397 T N 1.438 115.845 114.554 -0.245 0.000 2.751 397 T HA -0.149 4.376 4.350 0.291 0.000 0.268 397 T C 1.753 176.319 174.700 -0.223 0.000 1.045 397 T CA 1.473 63.461 62.100 -0.186 0.000 1.142 397 T CB -0.913 67.859 68.868 -0.161 0.000 0.851 397 T HN 0.367 nan 8.240 nan 0.000 0.474 398 I N 1.648 122.002 120.570 -0.361 0.000 2.127 398 I HA -0.101 4.244 4.170 0.291 0.000 0.241 398 I C 2.630 178.451 176.117 -0.493 0.000 1.075 398 I CA 1.320 62.242 61.300 -0.631 0.000 1.334 398 I CB -1.273 36.195 38.000 -0.887 0.000 1.040 398 I HN 0.347 nan 8.210 nan 0.000 0.405 399 L N 0.389 121.558 121.223 -0.091 0.000 2.005 399 L HA -0.181 4.334 4.340 0.291 0.000 0.207 399 L C 2.565 179.582 176.870 0.246 0.000 1.072 399 L CA 1.431 56.471 54.840 0.333 0.000 0.744 399 L CB -0.799 41.421 42.059 0.268 0.000 0.895 399 L HN 0.235 nan 8.230 nan 0.000 0.433 400 E N 0.269 120.525 120.200 0.092 0.000 2.031 400 E HA -0.213 4.312 4.350 0.291 0.000 0.193 400 E C 1.802 178.451 176.600 0.083 0.000 0.994 400 E CA 1.337 57.785 56.400 0.081 0.000 0.800 400 E CB -0.332 29.383 29.700 0.024 0.000 0.752 400 E HN 0.456 nan 8.360 nan 0.000 0.447 401 D N 0.361 120.772 120.400 0.019 0.000 2.172 401 D HA -0.172 4.643 4.640 0.291 0.000 0.196 401 D C 0.216 176.602 176.300 0.143 0.000 0.999 401 D CA 0.696 54.713 54.000 0.028 0.000 0.856 401 D CB -0.278 40.484 40.800 -0.062 0.000 0.934 401 D HN 0.166 nan 8.370 nan 0.000 0.453 402 W N 2.375 123.708 121.300 0.055 0.000 2.591 402 W HA 0.134 4.969 4.660 0.291 0.000 0.330 402 W C 0.951 177.510 176.519 0.067 0.000 1.435 402 W CA -0.191 57.198 57.345 0.073 0.000 1.350 402 W CB -0.874 28.636 29.460 0.083 0.000 1.434 402 W HN -0.089 nan 8.180 nan 0.000 0.553 439 D N 1.781 122.201 120.400 0.033 0.000 2.317 439 D HA 0.304 5.118 4.640 0.291 0.000 0.234 439 D C -1.505 174.847 176.300 0.085 0.000 1.112 439 D CA -2.195 51.842 54.000 0.060 0.000 0.840 439 D CB 1.625 42.471 40.800 0.076 0.000 1.078 439 D HN 0.084 nan 8.370 nan 0.000 0.486 440 P HA -0.071 nan 4.420 nan 0.000 0.223 440 P C 0.612 178.061 177.300 0.248 0.000 1.151 440 P CA 0.695 63.869 63.100 0.124 0.000 0.787 440 P CB 0.171 31.914 31.700 0.072 0.000 0.788 441 L N -1.059 120.328 121.223 0.275 0.000 3.001 441 L HA 0.319 4.833 4.340 0.291 0.000 0.234 441 L C 1.864 178.912 176.870 0.296 0.000 1.321 441 L CA -0.206 54.904 54.840 0.451 0.000 1.138 441 L CB -0.292 42.091 42.059 0.540 0.000 1.503 441 L HN -0.178 nan 8.230 nan 0.000 0.487 442 K N 1.332 121.832 120.400 0.167 0.000 2.202 442 K HA 0.030 4.525 4.320 0.291 0.000 0.201 442 K C 1.777 178.344 176.600 -0.056 0.000 1.051 442 K CA 0.762 57.081 56.287 0.053 0.000 0.977 442 K CB 0.379 32.891 32.500 0.020 0.000 0.792 442 K HN 0.085 nan 8.250 nan 0.000 0.469 443 K N 0.219 120.526 120.400 -0.154 0.000 2.551 443 K HA 0.019 4.514 4.320 0.291 0.000 0.192 443 K C -0.334 175.799 176.600 -0.779 0.000 1.027 443 K CA 0.305 56.322 56.287 -0.450 0.000 1.059 443 K CB -0.190 32.001 32.500 -0.516 0.000 0.831 443 K HN 0.124 nan 8.250 nan 0.000 0.508 444 Y N 0.357 120.543 120.300 -0.190 0.000 2.598 444 Y HA 0.334 5.059 4.550 0.291 0.000 0.340 444 Y C 0.264 175.741 175.900 -0.704 0.000 1.038 444 Y CA -1.032 56.799 58.100 -0.447 0.000 1.100 444 Y CB 1.908 40.108 38.460 -0.434 0.000 1.281 444 Y HN -0.235 nan 8.280 nan 0.000 0.488 445 T N 2.374 116.470 114.554 -0.763 0.000 2.809 445 T HA 0.661 5.186 4.350 0.291 0.000 0.284 445 T C -1.088 173.096 174.700 -0.860 0.000 0.992 445 T CA -0.713 60.984 62.100 -0.672 0.000 0.957 445 T CB 0.243 68.901 68.868 -0.350 0.000 0.942 445 T HN 0.359 nan 8.240 nan 0.000 0.439 446 F N -0.036 119.931 119.950 0.028 0.000 2.664 446 F HA 0.589 5.290 4.527 0.291 0.000 0.329 446 F C -0.469 175.376 175.800 0.075 0.000 1.090 446 F CA -1.598 56.408 58.000 0.009 0.000 0.978 446 F CB 1.216 40.232 39.000 0.026 0.000 1.378 446 F HN 0.457 nan 8.300 nan 0.000 0.495 447 W N 3.496 124.825 121.300 0.049 0.000 2.433 447 W HA 0.255 5.089 4.660 0.290 0.000 0.331 447 W C -0.494 176.097 176.519 0.121 0.000 1.110 447 W CA -0.761 56.553 57.345 -0.051 0.000 1.450 447 W CB 0.092 29.330 29.460 -0.370 0.000 1.348 447 W HN 0.453 nan 8.180 nan 0.000 0.415 448 E N 4.184 124.669 120.200 0.476 0.000 2.415 448 E HA 0.081 4.605 4.350 0.291 0.000 0.260 448 E C -0.392 176.508 176.600 0.500 0.000 1.016 448 E CA 0.178 56.855 56.400 0.463 0.000 0.924 448 E CB 1.265 31.179 29.700 0.356 0.000 0.961 448 E HN 0.139 nan 8.360 nan 0.000 0.459 449 V N 4.135 124.283 119.914 0.391 0.000 2.540 449 V HA 0.253 4.548 4.120 0.291 0.000 0.302 449 V C 0.313 176.580 176.094 0.288 0.000 1.035 449 V CA -0.958 61.518 62.300 0.293 0.000 0.873 449 V CB 1.863 33.789 31.823 0.172 0.000 0.992 449 V HN 0.541 nan 8.190 nan 0.000 0.428 450 N N 4.394 123.230 118.700 0.227 0.000 2.518 450 N HA 0.412 5.326 4.740 0.291 0.000 0.254 450 N C -0.003 175.566 175.510 0.099 0.000 0.979 450 N CA -0.383 52.775 53.050 0.180 0.000 0.930 450 N CB 1.814 40.373 38.487 0.120 0.000 1.152 450 N HN 0.680 nan 8.380 nan 0.000 0.505 451 L N 3.211 124.469 121.223 0.058 0.000 2.590 451 L HA 0.140 4.655 4.340 0.291 0.000 0.227 451 L C 2.117 179.016 176.870 0.048 0.000 1.099 451 L CA -0.023 54.847 54.840 0.049 0.000 0.872 451 L CB 0.120 42.183 42.059 0.006 0.000 1.088 451 L HN 0.447 nan 8.230 nan 0.000 0.479 452 K N 0.890 121.246 120.400 -0.074 0.000 2.071 452 K HA -0.254 4.241 4.320 0.291 0.000 0.217 452 K C 0.760 177.286 176.600 -0.123 0.000 1.054 452 K CA 1.740 57.900 56.287 -0.211 0.000 0.937 452 K CB -0.127 32.303 32.500 -0.117 0.000 0.719 452 K HN 0.127 nan 8.250 nan 0.000 0.454 453 E N 0.055 120.253 120.200 -0.003 0.000 2.320 453 E HA 0.045 4.570 4.350 0.291 0.000 0.234 453 E C 0.281 176.941 176.600 0.100 0.000 1.290 453 E CA 0.141 56.572 56.400 0.051 0.000 1.545 453 E CB 0.455 30.188 29.700 0.056 0.000 1.379 453 E HN 0.106 nan 8.360 nan 0.000 0.437 454 K N -0.954 119.528 120.400 0.136 0.000 2.658 454 K HA 0.143 4.637 4.320 0.291 0.000 0.202 454 K C 0.008 176.742 176.600 0.223 0.000 1.563 454 K CA -0.098 56.286 56.287 0.161 0.000 1.129 454 K CB 0.155 32.722 32.500 0.111 0.000 1.507 454 K HN 0.055 nan 8.250 nan 0.000 0.581 455 F N 2.390 122.270 119.950 -0.116 0.000 2.646 455 F HA 0.045 4.747 4.527 0.291 0.000 0.363 455 F C 0.952 176.893 175.800 0.235 0.000 1.143 455 F CA 0.700 58.649 58.000 -0.083 0.000 1.356 455 F CB 0.376 39.038 39.000 -0.563 0.000 1.055 455 F HN -0.208 nan 8.300 nan 0.000 0.606 456 S N 1.329 117.436 115.700 0.678 0.000 2.626 456 S HA 0.595 5.240 4.470 0.291 0.000 0.275 456 S C 0.317 175.272 174.600 0.593 0.000 1.175 456 S CA -0.183 58.422 58.200 0.676 0.000 0.982 456 S CB 1.112 64.667 63.200 0.592 0.000 1.093 456 S HN 0.819 nan 8.310 nan 0.000 0.472 457 A N 2.944 125.979 122.820 0.358 0.000 1.877 457 A HA 0.026 4.520 4.320 0.291 0.000 0.216 457 A C 0.615 178.184 177.584 -0.025 0.000 1.186 457 A CA 1.569 53.401 52.037 -0.341 0.000 0.620 457 A CB -0.601 18.247 19.000 -0.253 0.000 0.822 457 A HN 0.881 nan 8.150 nan 0.000 0.443 458 D N 0.608 121.068 120.400 0.099 0.000 2.365 458 D HA 0.285 5.100 4.640 0.291 0.000 0.237 458 D C 0.686 177.037 176.300 0.086 0.000 1.190 458 D CA -0.367 53.663 54.000 0.051 0.000 0.867 458 D CB 0.611 41.412 40.800 0.002 0.000 1.050 458 D HN 0.345 nan 8.370 nan 0.000 0.491 459 L N 1.027 122.321 121.223 0.120 0.000 2.456 459 L HA -0.112 4.402 4.340 0.291 0.000 0.224 459 L C 0.735 177.644 176.870 0.064 0.000 1.148 459 L CA 0.794 55.750 54.840 0.194 0.000 0.825 459 L CB -0.387 41.774 42.059 0.170 0.000 0.937 459 L HN 0.201 nan 8.230 nan 0.000 0.450 460 D N -0.363 120.021 120.400 -0.027 0.000 2.378 460 D HA -0.117 4.697 4.640 0.291 0.000 0.222 460 D C 1.517 177.730 176.300 -0.146 0.000 0.980 460 D CA 0.594 54.553 54.000 -0.069 0.000 0.907 460 D CB 0.096 40.858 40.800 -0.064 0.000 0.899 460 D HN 0.252 nan 8.370 nan 0.000 0.527 461 Q N -0.492 119.134 119.800 -0.289 0.000 2.155 461 Q HA 0.276 4.791 4.340 0.291 0.000 0.220 461 Q C -0.668 174.850 176.000 -0.803 0.000 0.819 461 Q CA -0.037 55.433 55.803 -0.556 0.000 1.032 461 Q CB 0.732 29.056 28.738 -0.691 0.000 1.151 461 Q HN 0.288 nan 8.270 nan 0.000 0.487 462 F N 0.473 120.352 119.950 -0.117 0.000 2.641 462 F HA 0.275 4.977 4.527 0.291 0.000 0.308 462 F C -1.740 174.031 175.800 -0.048 0.000 1.105 462 F CA -1.836 56.063 58.000 -0.168 0.000 0.964 462 F CB 2.535 41.239 39.000 -0.493 0.000 1.294 462 F HN -0.249 nan 8.300 nan 0.000 0.442 463 P HA -0.112 nan 4.420 nan 0.000 0.220 463 P C 1.596 178.976 177.300 0.134 0.000 1.152 463 P CA 1.194 64.360 63.100 0.111 0.000 0.812 463 P CB 0.980 32.722 31.700 0.070 0.000 0.792 464 L N -0.218 121.116 121.223 0.185 0.000 2.044 464 L HA -0.005 4.509 4.340 0.291 0.000 0.205 464 L C 2.620 179.669 176.870 0.299 0.000 1.075 464 L CA 1.922 56.853 54.840 0.153 0.000 0.747 464 L CB -1.246 40.836 42.059 0.038 0.000 0.903 464 L HN -0.009 nan 8.230 nan 0.000 0.435 465 G N -0.185 108.843 108.800 0.379 0.000 2.480 465 G HA2 -0.306 3.829 3.960 0.291 0.000 0.216 465 G HA3 -0.306 3.829 3.960 0.291 0.000 0.216 465 G C 1.558 176.577 174.900 0.199 0.000 1.200 465 G CA 0.829 46.137 45.100 0.347 0.000 0.782 465 G HN 0.327 nan 8.290 nan 0.000 0.554 466 R N 0.319 120.905 120.500 0.144 0.000 2.117 466 R HA -0.071 4.444 4.340 0.291 0.000 0.243 466 R C 2.636 178.980 176.300 0.073 0.000 1.143 466 R CA 1.610 57.748 56.100 0.064 0.000 0.968 466 R CB -0.190 30.134 30.300 0.041 0.000 0.863 466 R HN 0.335 nan 8.270 nan 0.000 0.444 467 K N -0.250 120.244 120.400 0.156 0.000 1.991 467 K HA -0.105 4.389 4.320 0.291 0.000 0.207 467 K C 1.829 178.576 176.600 0.245 0.000 1.045 467 K CA 1.213 57.627 56.287 0.213 0.000 0.937 467 K CB -0.342 32.342 32.500 0.306 0.000 0.720 467 K HN 0.002 nan 8.250 nan 0.000 0.438 468 F N 2.119 122.186 119.950 0.195 0.000 2.111 468 F HA -0.267 4.434 4.527 0.291 0.000 0.300 468 F C 1.831 177.432 175.800 -0.332 0.000 1.088 468 F CA 1.361 59.241 58.000 -0.200 0.000 1.243 468 F CB -0.585 38.373 39.000 -0.070 0.000 0.996 468 F HN -0.037 nan 8.300 nan 0.000 0.483 469 L N -0.253 120.675 121.223 -0.493 0.000 2.141 469 L HA -0.068 4.447 4.340 0.291 0.000 0.209 469 L C 1.955 178.619 176.870 -0.342 0.000 1.094 469 L CA 1.283 55.799 54.840 -0.540 0.000 0.763 469 L CB -0.511 41.380 42.059 -0.278 0.000 0.908 469 L HN 0.258 nan 8.230 nan 0.000 0.437 470 L N -0.955 120.144 121.223 -0.206 0.000 2.645 470 L HA 0.034 4.549 4.340 0.291 0.000 0.234 470 L C 1.579 178.345 176.870 -0.174 0.000 1.165 470 L CA 0.062 54.810 54.840 -0.153 0.000 0.944 470 L CB -0.124 41.894 42.059 -0.068 0.000 1.149 470 L HN 0.434 nan 8.230 nan 0.000 0.446 471 Q N -0.513 119.112 119.800 -0.291 0.000 2.243 471 Q HA 0.214 4.729 4.340 0.291 0.000 0.167 471 Q C 0.657 176.449 176.000 -0.345 0.000 0.619 471 Q CA -0.190 55.421 55.803 -0.320 0.000 0.745 471 Q CB 0.347 28.778 28.738 -0.512 0.000 1.071 471 Q HN 0.158 nan 8.270 nan 0.000 0.502 472 L N 0.000 120.976 121.223 -0.411 0.000 2.949 472 L HA 0.000 4.515 4.340 0.291 0.000 0.249 472 L CA 0.000 54.689 54.840 -0.252 0.000 0.813 472 L CB 0.000 41.855 42.059 -0.339 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502