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 1vg0_1_A DATA FIRST_RESID 3 DATA SEQUENCE DNLPSDFDVI VIGTGLPESI IAAACSRSGQ RVLHVDSRSY YGGNWASFSF DATA SEQUENCE SGLLSWLKEY QXXXXXXXXX XMWQEQILEN EEAIPLSSKD KTIQHVEVFC DATA SEQUENCE YASQXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXRI TYSQIIKEGR RFNIDLVSKL LYSRGLLIDL LIKSNVSRYA DATA SEQUENCE EFKNITRILA FREGTVEQVP CSRADVFNSK QLTMVEKRML MKFLTFCVEY DATA SEQUENCE EEHPDEYRAY EGTTFSEYLK TQKLTPNLQY FVLHSIAMXX ETTSCTVDGL DATA SEQUENCE KATKKFLQCL GRYGNTPFLF PLYGQGELPQ CFCRMCAVFG GIYCLRHSVQ DATA SEQUENCE CLVVDKESRK CKAVIDQFGQ RIISKHFIIE DSYLSENTCS RVQYRQISRA DATA SEQUENCE VLITDGSVLR TDADQQVSIL TVPAEEPGSF AVRVIELCSS TMTCMKGTYL DATA SEQUENCE VHLTCMSSKT AREDLERVVQ KLFTPYTEIX XXXXXXEKPR LLWALYFNMR DATA SEQUENCE DSSDISRDCY NDLPSNVYVC SGPDSGLGND NAVKQAETLF QQICPNEDFC DATA SEQUENCE PAPP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.316 176.300 0.026 0.000 2.045 3 D CA 0.000 54.013 54.000 0.022 0.000 0.868 3 D CB 0.000 40.819 40.800 0.032 0.000 0.688 4 N N 0.837 119.558 118.700 0.035 0.000 2.295 4 N HA 0.303 5.043 4.740 -0.000 0.000 0.293 4 N C -1.117 174.435 175.510 0.070 0.000 1.040 4 N CA -0.575 52.502 53.050 0.045 0.000 0.840 4 N CB 2.365 40.871 38.487 0.032 0.000 1.468 4 N HN 0.268 nan 8.380 nan 0.000 0.478 5 L N 4.320 125.605 121.223 0.103 0.000 2.559 5 L HA 0.244 4.584 4.340 -0.000 0.000 0.274 5 L C -1.884 175.067 176.870 0.135 0.000 1.205 5 L CA -0.604 54.325 54.840 0.150 0.000 0.907 5 L CB -0.164 42.004 42.059 0.181 0.000 1.153 5 L HN 0.472 nan 8.230 nan 0.000 0.490 6 P HA 0.081 nan 4.420 nan 0.000 0.268 6 P C 0.109 177.422 177.300 0.022 0.000 1.208 6 P CA 0.039 63.111 63.100 -0.046 0.000 0.777 6 P CB 0.537 32.027 31.700 -0.350 0.000 0.875 7 S N -0.601 115.081 115.700 -0.030 0.000 2.558 7 S HA 0.043 4.513 4.470 -0.000 0.000 0.217 7 S C 0.336 174.948 174.600 0.020 0.000 0.975 7 S CA 0.005 58.225 58.200 0.035 0.000 0.912 7 S CB -0.449 62.767 63.200 0.026 0.000 0.776 7 S HN 0.623 nan 8.310 nan 0.000 0.526 8 D N -0.780 119.540 120.400 -0.132 0.000 2.857 8 D HA 0.537 5.177 4.640 -0.000 0.000 0.227 8 D C -1.367 174.698 176.300 -0.392 0.000 1.192 8 D CA -0.541 53.388 54.000 -0.118 0.000 0.857 8 D CB 1.245 41.992 40.800 -0.088 0.000 1.645 8 D HN 0.141 nan 8.370 nan 0.000 0.482 9 F N -0.085 119.827 119.950 -0.063 0.000 2.650 9 F HA 0.253 4.780 4.527 -0.000 0.000 0.320 9 F C 1.052 176.787 175.800 -0.108 0.000 1.091 9 F CA -0.760 57.191 58.000 -0.081 0.000 0.962 9 F CB 1.948 40.885 39.000 -0.106 0.000 1.363 9 F HN 0.163 nan 8.300 nan 0.000 0.482 10 D N -0.064 120.418 120.400 0.137 0.000 2.201 10 D HA 0.127 4.767 4.640 -0.000 0.000 0.209 10 D C -0.265 176.055 176.300 0.033 0.000 0.961 10 D CA 1.423 55.458 54.000 0.058 0.000 0.861 10 D CB 0.652 41.503 40.800 0.086 0.000 0.997 10 D HN 0.000 nan 8.370 nan 0.000 0.486 11 V N 1.584 121.509 119.914 0.019 0.000 2.686 11 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 11 V C -0.401 175.566 176.094 -0.212 0.000 1.065 11 V CA -0.671 61.576 62.300 -0.090 0.000 0.894 11 V CB 2.748 34.536 31.823 -0.059 0.000 1.004 11 V HN -0.085 nan 8.190 nan 0.000 0.424 12 I N 4.571 124.955 120.570 -0.311 0.000 2.406 12 I HA 0.550 4.720 4.170 -0.000 0.000 0.290 12 I C -0.772 175.226 176.117 -0.199 0.000 0.999 12 I CA -0.837 60.279 61.300 -0.307 0.000 1.124 12 I CB 2.107 39.950 38.000 -0.261 0.000 1.289 12 I HN 0.285 nan 8.210 nan 0.000 0.441 13 V N 7.500 127.273 119.914 -0.234 0.000 2.448 13 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 13 V C -0.047 175.991 176.094 -0.093 0.000 1.025 13 V CA -0.481 61.697 62.300 -0.203 0.000 0.859 13 V CB 1.957 33.487 31.823 -0.489 0.000 0.988 13 V HN 0.473 nan 8.190 nan 0.000 0.431 14 I N 4.474 124.986 120.570 -0.096 0.000 2.359 14 I HA 0.761 4.931 4.170 -0.000 0.000 0.284 14 I C 0.568 176.541 176.117 -0.240 0.000 1.018 14 I CA -0.117 61.040 61.300 -0.239 0.000 1.173 14 I CB 1.379 39.164 38.000 -0.358 0.000 1.326 14 I HN 0.884 nan 8.210 nan 0.000 0.462 15 G N 3.190 111.917 108.800 -0.121 0.000 2.841 15 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.684 15 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.684 15 G C -0.154 174.918 174.900 0.287 0.000 1.273 15 G CA -0.377 44.818 45.100 0.159 0.000 0.811 15 G HN 0.660 nan 8.290 nan 0.000 0.631 16 T N -0.095 114.591 114.554 0.220 0.000 3.269 16 T HA 0.622 4.971 4.350 -0.000 0.000 0.269 16 T C 1.267 176.107 174.700 0.233 0.000 0.993 16 T CA 0.820 63.044 62.100 0.205 0.000 0.909 16 T CB 0.637 69.555 68.868 0.084 0.000 1.115 16 T HN 1.710 nan 8.240 nan 0.000 0.543 17 G N 1.058 109.999 108.800 0.236 0.000 2.683 17 G HA2 0.407 4.366 3.960 -0.000 0.000 0.260 17 G HA3 0.407 4.366 3.960 -0.000 0.000 0.260 17 G C 0.862 175.567 174.900 -0.326 0.000 1.238 17 G CA -0.582 44.585 45.100 0.112 0.000 0.934 17 G HN 0.307 nan 8.290 nan 0.000 0.534 18 L N 1.188 121.718 121.223 -1.155 0.000 1.970 18 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 18 L C 0.092 176.592 176.870 -0.617 0.000 1.071 18 L CA 2.278 56.543 54.840 -0.959 0.000 0.751 18 L CB -1.056 40.062 42.059 -1.568 0.000 0.889 18 L HN 0.382 nan 8.230 nan 0.000 0.432 19 P HA -0.159 nan 4.420 nan 0.000 0.215 19 P C 1.294 178.502 177.300 -0.154 0.000 1.157 19 P CA 1.587 64.533 63.100 -0.256 0.000 0.868 19 P CB -0.034 31.616 31.700 -0.084 0.000 0.788 20 E N 0.000 120.157 120.200 -0.073 0.000 2.085 20 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 20 E C 2.196 178.776 176.600 -0.033 0.000 0.994 20 E CA 1.933 58.322 56.400 -0.017 0.000 0.801 20 E CB -0.926 28.845 29.700 0.118 0.000 0.743 20 E HN 0.343 nan 8.360 nan 0.000 0.453 21 S N 0.253 115.985 115.700 0.054 0.000 2.406 21 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 21 S C 2.067 176.663 174.600 -0.007 0.000 1.020 21 S CA 0.652 58.955 58.200 0.172 0.000 0.965 21 S CB -0.372 62.969 63.200 0.234 0.000 0.798 21 S HN 0.191 nan 8.310 nan 0.000 0.488 22 I N 0.657 121.059 120.570 -0.279 0.000 2.252 22 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 22 I C 2.437 178.431 176.117 -0.206 0.000 1.102 22 I CA 1.001 62.005 61.300 -0.493 0.000 1.385 22 I CB -0.305 37.269 38.000 -0.710 0.000 1.064 22 I HN 0.302 nan 8.210 nan 0.000 0.414 23 I N 0.997 121.500 120.570 -0.113 0.000 2.315 23 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 23 I C 2.492 178.575 176.117 -0.056 0.000 1.117 23 I CA 1.470 62.754 61.300 -0.028 0.000 1.404 23 I CB -0.422 37.562 38.000 -0.027 0.000 1.071 23 I HN 0.122 nan 8.210 nan 0.000 0.419 24 A N 0.615 123.365 122.820 -0.116 0.000 1.877 24 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 24 A C 2.520 180.101 177.584 -0.006 0.000 1.186 24 A CA 1.988 53.947 52.037 -0.130 0.000 0.620 24 A CB -1.401 17.440 19.000 -0.265 0.000 0.822 24 A HN 0.531 nan 8.150 nan 0.000 0.443 25 A N -0.220 122.623 122.820 0.038 0.000 1.902 25 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 25 A C 2.518 180.040 177.584 -0.103 0.000 1.181 25 A CA 2.201 54.269 52.037 0.051 0.000 0.623 25 A CB -1.044 18.054 19.000 0.163 0.000 0.818 25 A HN 1.083 nan 8.150 nan 0.000 0.443 26 A N -1.009 121.687 122.820 -0.208 0.000 1.902 26 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 26 A C 2.313 179.855 177.584 -0.070 0.000 1.181 26 A CA 1.727 53.516 52.037 -0.414 0.000 0.623 26 A CB -1.261 17.310 19.000 -0.715 0.000 0.818 26 A HN 0.606 nan 8.150 nan 0.000 0.443 27 C N -1.426 117.939 119.300 0.108 0.000 2.440 27 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 27 C C 3.287 178.325 174.990 0.079 0.000 1.295 27 C CA 1.279 60.401 59.018 0.173 0.000 1.738 27 C CB -1.039 26.738 27.740 0.061 0.000 1.987 27 C HN 0.664 nan 8.230 nan 0.000 0.492 28 S N 0.385 116.109 115.700 0.040 0.000 2.368 28 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 28 S C 2.121 176.719 174.600 -0.004 0.000 1.029 28 S CA 1.449 59.693 58.200 0.073 0.000 0.988 28 S CB -0.318 62.967 63.200 0.141 0.000 0.838 28 S HN 0.542 nan 8.310 nan 0.000 0.462 29 R N 1.793 122.164 120.500 -0.215 0.000 2.105 29 R HA -0.031 4.309 4.340 -0.000 0.000 0.239 29 R C 2.271 178.388 176.300 -0.306 0.000 1.135 29 R CA 2.322 58.052 56.100 -0.617 0.000 0.967 29 R CB -0.955 28.962 30.300 -0.638 0.000 0.861 29 R HN 0.507 nan 8.270 nan 0.000 0.442 30 S N -1.925 113.729 115.700 -0.077 0.000 2.561 30 S HA 0.165 4.634 4.470 -0.000 0.000 0.225 30 S C 1.306 175.929 174.600 0.039 0.000 0.977 30 S CA 0.528 58.750 58.200 0.036 0.000 0.926 30 S CB 0.217 63.542 63.200 0.208 0.000 0.769 30 S HN 0.632 nan 8.310 nan 0.000 0.533 31 G N -0.067 108.760 108.800 0.045 0.000 2.192 31 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.193 31 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.193 31 G C -0.210 174.730 174.900 0.067 0.000 0.999 31 G CA -0.335 44.806 45.100 0.068 0.000 0.659 31 G HN 0.462 nan 8.290 nan 0.000 0.503 32 Q N 0.440 120.279 119.800 0.065 0.000 2.340 32 Q HA 0.408 4.748 4.340 -0.000 0.000 0.249 32 Q C 0.542 176.596 176.000 0.091 0.000 0.957 32 Q CA -0.104 55.737 55.803 0.065 0.000 0.882 32 Q CB 0.781 29.547 28.738 0.047 0.000 1.235 32 Q HN 0.467 nan 8.270 nan 0.000 0.439 33 R N 0.921 121.484 120.500 0.104 0.000 2.242 33 R HA 0.327 4.666 4.340 -0.000 0.000 0.334 33 R C -0.501 175.949 176.300 0.248 0.000 1.071 33 R CA -0.224 55.975 56.100 0.165 0.000 0.922 33 R CB 0.479 30.843 30.300 0.106 0.000 1.023 33 R HN 0.234 nan 8.270 nan 0.000 0.458 34 V N 4.935 124.960 119.914 0.186 0.000 2.547 34 V HA 0.344 4.464 4.120 -0.000 0.000 0.299 34 V C -0.564 175.413 176.094 -0.195 0.000 1.040 34 V CA -0.949 61.357 62.300 0.011 0.000 0.913 34 V CB 1.796 33.587 31.823 -0.052 0.000 0.992 34 V HN 0.474 nan 8.190 nan 0.000 0.449 35 L N 4.186 125.053 121.223 -0.594 0.000 2.325 35 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 35 L C -0.671 175.879 176.870 -0.534 0.000 1.004 35 L CA 0.054 54.350 54.840 -0.907 0.000 0.823 35 L CB 1.186 42.259 42.059 -1.643 0.000 1.236 35 L HN 0.778 nan 8.230 nan 0.000 0.415 36 H N 4.850 123.521 119.070 -0.665 0.000 2.646 36 H HA 0.691 5.247 4.556 -0.000 0.000 0.328 36 H C -0.999 174.062 175.328 -0.445 0.000 0.998 36 H CA -0.874 54.830 56.048 -0.573 0.000 1.225 36 H CB 1.459 30.732 29.762 -0.815 0.000 1.457 36 H HN 0.637 nan 8.280 nan 0.000 0.505 37 V N 1.905 121.741 119.914 -0.129 0.000 3.019 37 V HA 0.582 4.701 4.120 -0.000 0.000 0.317 37 V C -0.680 175.321 176.094 -0.156 0.000 1.094 37 V CA -0.786 61.404 62.300 -0.184 0.000 1.000 37 V CB 2.223 33.918 31.823 -0.214 0.000 1.060 37 V HN 0.784 nan 8.190 nan 0.000 0.443 38 D N 0.518 120.838 120.400 -0.132 0.000 2.947 38 D HA 0.317 4.957 4.640 -0.000 0.000 0.224 38 D C 0.598 176.891 176.300 -0.012 0.000 1.230 38 D CA 0.301 54.252 54.000 -0.082 0.000 0.871 38 D CB 2.695 43.402 40.800 -0.154 0.000 1.671 38 D HN 0.834 nan 8.370 nan 0.000 0.507 39 S N 2.459 118.228 115.700 0.115 0.000 2.561 39 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 39 S C 0.887 175.484 174.600 -0.005 0.000 0.977 39 S CA 0.013 58.269 58.200 0.093 0.000 0.926 39 S CB 0.217 63.544 63.200 0.211 0.000 0.769 39 S HN 0.324 nan 8.310 nan 0.000 0.533 40 R N 1.670 122.110 120.500 -0.100 0.000 2.546 40 R HA 0.350 4.689 4.340 -0.000 0.000 0.266 40 R C 1.016 177.151 176.300 -0.276 0.000 1.086 40 R CA 0.401 56.335 56.100 -0.277 0.000 1.160 40 R CB 0.368 30.270 30.300 -0.663 0.000 1.138 40 R HN 0.462 nan 8.270 nan 0.000 0.567 41 S N -0.748 114.813 115.700 -0.232 0.000 2.634 41 S HA 0.106 4.576 4.470 -0.000 0.000 0.221 41 S C -0.137 174.463 174.600 0.000 0.000 0.952 41 S CA -0.383 57.782 58.200 -0.057 0.000 0.930 41 S CB -0.475 62.775 63.200 0.083 0.000 0.780 41 S HN 0.574 nan 8.310 nan 0.000 0.498 42 Y N -2.736 117.552 120.300 -0.020 0.000 2.625 42 Y HA 0.740 5.290 4.550 -0.000 0.000 0.338 42 Y C -1.073 174.763 175.900 -0.107 0.000 1.123 42 Y CA -2.565 55.514 58.100 -0.036 0.000 1.046 42 Y CB 0.209 38.689 38.460 0.033 0.000 1.299 42 Y HN -0.057 nan 8.280 nan 0.000 0.464 43 Y N 0.874 121.282 120.300 0.181 0.000 2.301 43 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 43 Y C 1.293 177.310 175.900 0.194 0.000 1.242 43 Y CA 1.247 59.408 58.100 0.103 0.000 1.323 43 Y CB 1.500 39.974 38.460 0.022 0.000 1.266 43 Y HN 1.049 nan 8.280 nan 0.000 0.527 44 G N 0.121 109.120 108.800 0.331 0.000 2.253 44 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.209 44 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.209 44 G C 0.804 175.957 174.900 0.421 0.000 0.997 44 G CA 0.019 45.324 45.100 0.342 0.000 0.640 44 G HN 1.597 nan 8.290 nan 0.000 0.496 45 G N 1.037 110.063 108.800 0.377 0.000 2.634 45 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.309 45 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.309 45 G C 0.698 175.856 174.900 0.431 0.000 1.265 45 G CA 0.996 46.333 45.100 0.396 0.000 0.998 45 G HN 1.171 nan 8.290 nan 0.000 0.551 46 N N 0.786 119.704 118.700 0.363 0.000 2.515 46 N HA 0.074 4.814 4.740 -0.000 0.000 0.191 46 N C 1.133 176.673 175.510 0.049 0.000 1.182 46 N CA 0.909 54.076 53.050 0.195 0.000 0.879 46 N CB -0.176 38.351 38.487 0.066 0.000 0.984 46 N HN 0.557 nan 8.380 nan 0.000 0.453 47 W N 0.502 121.893 121.300 0.152 0.000 3.220 47 W HA 0.488 5.148 4.660 -0.000 0.000 0.328 47 W C 0.833 177.382 176.519 0.049 0.000 1.205 47 W CA -0.634 56.774 57.345 0.104 0.000 1.773 47 W CB -0.209 29.316 29.460 0.109 0.000 1.086 47 W HN -0.128 nan 8.180 nan 0.000 0.622 48 A N 1.040 123.982 122.820 0.203 0.000 2.346 48 A HA 0.556 4.876 4.320 -0.000 0.000 0.252 48 A C 0.631 178.042 177.584 -0.289 0.000 1.089 48 A CA 0.114 52.114 52.037 -0.063 0.000 0.797 48 A CB 0.165 19.067 19.000 -0.164 0.000 1.047 48 A HN 0.104 nan 8.150 nan 0.000 0.494 49 S N -0.881 114.545 115.700 -0.457 0.000 2.648 49 S HA 0.887 5.357 4.470 -0.000 0.000 0.305 49 S C -0.859 173.275 174.600 -0.778 0.000 1.094 49 S CA -0.556 57.433 58.200 -0.351 0.000 0.983 49 S CB 1.056 64.206 63.200 -0.083 0.000 1.101 49 S HN 0.505 nan 8.310 nan 0.000 0.514 50 F N 0.659 120.541 119.950 -0.113 0.000 2.588 50 F HA 0.589 5.116 4.527 -0.000 0.000 0.310 50 F C 0.778 176.561 175.800 -0.029 0.000 1.082 50 F CA -0.718 57.196 58.000 -0.142 0.000 0.929 50 F CB 2.260 41.113 39.000 -0.244 0.000 1.254 50 F HN 0.865 nan 8.300 nan 0.000 0.455 51 S N 1.087 116.888 115.700 0.167 0.000 2.617 51 S HA 0.149 4.619 4.470 -0.000 0.000 0.259 51 S C 0.847 175.529 174.600 0.137 0.000 1.301 51 S CA -0.335 57.969 58.200 0.172 0.000 0.984 51 S CB 0.375 63.651 63.200 0.126 0.000 0.954 51 S HN 0.611 nan 8.310 nan 0.000 0.572 52 F N 1.770 121.707 119.950 -0.022 0.000 2.134 52 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 52 F C 2.781 178.477 175.800 -0.173 0.000 1.097 52 F CA 2.053 59.910 58.000 -0.237 0.000 1.264 52 F CB -0.791 37.917 39.000 -0.487 0.000 1.001 52 F HN 0.748 nan 8.300 nan 0.000 0.479 53 S N -0.474 115.186 115.700 -0.066 0.000 2.383 53 S HA -0.040 4.430 4.470 -0.000 0.000 0.227 53 S C 2.418 176.954 174.600 -0.106 0.000 1.026 53 S CA 0.813 58.951 58.200 -0.104 0.000 0.981 53 S CB -1.536 61.660 63.200 -0.005 0.000 0.818 53 S HN 0.415 nan 8.310 nan 0.000 0.472 54 G N 2.006 110.791 108.800 -0.024 0.000 2.440 54 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.218 54 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.218 54 G C 1.375 176.204 174.900 -0.119 0.000 1.154 54 G CA 1.082 46.216 45.100 0.057 0.000 0.767 54 G HN 0.480 nan 8.290 nan 0.000 0.552 55 L N 0.350 121.437 121.223 -0.226 0.000 2.093 55 L HA 0.170 4.510 4.340 -0.000 0.000 0.208 55 L C 2.681 179.390 176.870 -0.268 0.000 1.085 55 L CA 1.150 55.748 54.840 -0.403 0.000 0.755 55 L CB -0.279 41.574 42.059 -0.343 0.000 0.904 55 L HN 0.200 nan 8.230 nan 0.000 0.435 56 L N -1.453 119.564 121.223 -0.343 0.000 2.083 56 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 56 L C 2.677 179.478 176.870 -0.116 0.000 1.083 56 L CA 1.436 56.145 54.840 -0.219 0.000 0.752 56 L CB -0.745 41.171 42.059 -0.238 0.000 0.899 56 L HN 0.346 nan 8.230 nan 0.000 0.433 57 S N -0.697 114.939 115.700 -0.106 0.000 2.368 57 S HA -0.242 4.227 4.470 -0.000 0.000 0.224 57 S C 1.730 176.295 174.600 -0.058 0.000 1.029 57 S CA 1.142 59.308 58.200 -0.056 0.000 0.988 57 S CB -0.370 62.827 63.200 -0.005 0.000 0.838 57 S HN 0.551 nan 8.310 nan 0.000 0.462 58 W N 1.982 123.076 121.300 -0.344 0.000 2.358 58 W HA -0.044 4.616 4.660 -0.000 0.000 0.303 58 W C 1.692 178.079 176.519 -0.220 0.000 1.208 58 W CA 1.326 58.440 57.345 -0.386 0.000 1.274 58 W CB -0.586 28.306 29.460 -0.946 0.000 1.138 58 W HN 0.284 nan 8.180 nan 0.000 0.515 59 L N 1.054 122.185 121.223 -0.152 0.000 1.963 59 L HA -0.356 3.984 4.340 -0.000 0.000 0.220 59 L C 2.665 179.357 176.870 -0.297 0.000 1.076 59 L CA 2.316 56.999 54.840 -0.260 0.000 0.772 59 L CB -1.231 40.794 42.059 -0.057 0.000 0.892 59 L HN -0.072 nan 8.230 nan 0.000 0.435 60 K N -0.144 120.131 120.400 -0.208 0.000 2.090 60 K HA -0.326 3.994 4.320 -0.000 0.000 0.218 60 K C 1.953 178.384 176.600 -0.281 0.000 1.055 60 K CA 2.382 58.552 56.287 -0.195 0.000 0.941 60 K CB -0.393 32.019 32.500 -0.148 0.000 0.722 60 K HN 0.242 nan 8.250 nan 0.000 0.458 61 E N -0.196 119.752 120.200 -0.419 0.000 2.114 61 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 61 E C 0.807 176.990 176.600 -0.694 0.000 1.008 61 E CA 1.545 57.575 56.400 -0.617 0.000 0.810 61 E CB -0.171 28.981 29.700 -0.912 0.000 0.739 61 E HN 0.455 nan 8.360 nan 0.000 0.456 62 Y N 0.157 120.220 120.300 -0.395 0.000 2.811 62 Y HA 0.341 4.891 4.550 -0.000 0.000 0.330 62 Y C 0.375 176.128 175.900 -0.245 0.000 1.081 62 Y CA -0.376 57.525 58.100 -0.332 0.000 1.408 62 Y CB 0.119 38.318 38.460 -0.436 0.000 1.235 62 Y HN -0.097 nan 8.280 nan 0.000 0.529 75 W N 0.870 122.167 121.300 -0.004 0.000 2.425 75 W HA 0.039 4.699 4.660 -0.001 0.000 0.277 75 W C 1.344 177.863 176.519 0.000 0.000 1.231 75 W CA 1.548 58.892 57.345 -0.000 0.000 1.248 75 W CB -1.668 27.789 29.460 -0.005 0.000 1.117 75 W HN 0.986 nan 8.180 nan 0.000 0.568 76 Q N 2.131 121.713 119.800 -0.364 0.000 2.224 76 Q HA -0.315 4.025 4.340 -0.000 0.000 0.213 76 Q C 1.978 177.975 176.000 -0.005 0.000 0.998 76 Q CA 2.666 58.361 55.803 -0.181 0.000 0.895 76 Q CB -1.370 27.113 28.738 -0.425 0.000 0.926 76 Q HN 0.518 nan 8.270 nan 0.000 0.417 77 E N 0.121 120.298 120.200 -0.038 0.000 2.160 77 E HA -0.236 4.113 4.350 -0.000 0.000 0.195 77 E C 1.858 178.486 176.600 0.048 0.000 0.991 77 E CA 1.782 58.182 56.400 0.000 0.000 0.810 77 E CB -0.141 29.550 29.700 -0.015 0.000 0.742 77 E HN 0.866 nan 8.360 nan 0.000 0.466 78 Q N -0.188 119.669 119.800 0.095 0.000 2.451 78 Q HA 0.076 4.416 4.340 -0.000 0.000 0.206 78 Q C 0.234 176.292 176.000 0.097 0.000 0.947 78 Q CA -0.114 55.748 55.803 0.098 0.000 0.937 78 Q CB 0.514 29.325 28.738 0.121 0.000 1.025 78 Q HN 0.222 nan 8.270 nan 0.000 0.511 79 I N 2.362 123.002 120.570 0.118 0.000 2.452 79 I HA 0.047 4.216 4.170 -0.000 0.000 0.287 79 I C 0.462 176.617 176.117 0.064 0.000 1.079 79 I CA 0.196 61.557 61.300 0.101 0.000 1.387 79 I CB -0.193 37.891 38.000 0.141 0.000 1.404 79 I HN 0.084 nan 8.210 nan 0.000 0.522 80 L N 6.016 127.268 121.223 0.048 0.000 2.475 80 L HA 0.141 4.480 4.340 -0.000 0.000 0.253 80 L C 1.864 178.752 176.870 0.030 0.000 1.198 80 L CA -0.428 54.432 54.840 0.034 0.000 0.814 80 L CB 0.306 42.382 42.059 0.028 0.000 1.134 80 L HN 0.611 nan 8.230 nan 0.000 0.478 81 E N 0.927 121.141 120.200 0.023 0.000 2.268 81 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 81 E C 0.711 177.321 176.600 0.017 0.000 0.995 81 E CA 1.217 57.628 56.400 0.019 0.000 0.836 81 E CB -0.330 29.378 29.700 0.014 0.000 0.763 81 E HN 0.780 nan 8.360 nan 0.000 0.491 82 N N 1.163 119.872 118.700 0.015 0.000 2.322 82 N HA 0.004 4.744 4.740 -0.000 0.000 0.194 82 N C -0.284 175.232 175.510 0.010 0.000 1.126 82 N CA 0.034 53.091 53.050 0.011 0.000 0.845 82 N CB 0.237 38.730 38.487 0.009 0.000 0.976 82 N HN 0.253 nan 8.380 nan 0.000 0.475 83 E N 0.065 120.274 120.200 0.015 0.000 2.339 83 E HA 0.376 4.726 4.350 -0.000 0.000 0.262 83 E C -0.839 175.773 176.600 0.019 0.000 0.934 83 E CA -0.905 55.502 56.400 0.011 0.000 0.802 83 E CB 1.722 31.430 29.700 0.014 0.000 1.275 83 E HN 0.391 nan 8.360 nan 0.000 0.427 84 E N -0.248 119.957 120.200 0.009 0.000 2.367 84 E HA 0.749 5.099 4.350 -0.000 0.000 0.273 84 E C -1.537 175.067 176.600 0.005 0.000 0.903 84 E CA -1.289 55.124 56.400 0.022 0.000 0.764 84 E CB 1.791 31.496 29.700 0.009 0.000 1.252 84 E HN 0.420 nan 8.360 nan 0.000 0.446 85 A N 2.351 125.196 122.820 0.042 0.000 2.325 85 A HA 0.677 4.997 4.320 -0.000 0.000 0.333 85 A C -0.600 176.941 177.584 -0.071 0.000 1.155 85 A CA -0.888 51.130 52.037 -0.032 0.000 0.814 85 A CB 0.615 19.664 19.000 0.082 0.000 1.206 85 A HN 0.622 nan 8.150 nan 0.000 0.482 86 I N 2.989 123.450 120.570 -0.182 0.000 2.437 86 I HA 0.265 4.435 4.170 -0.000 0.000 0.279 86 I C -2.503 173.476 176.117 -0.230 0.000 1.028 86 I CA -1.971 59.243 61.300 -0.143 0.000 1.142 86 I CB 2.028 39.949 38.000 -0.133 0.000 1.266 86 I HN 0.391 nan 8.210 nan 0.000 0.461 87 P HA 0.228 nan 4.420 nan 0.000 0.272 87 P C -0.515 176.720 177.300 -0.108 0.000 1.223 87 P CA -0.066 62.904 63.100 -0.215 0.000 0.784 87 P CB 0.799 32.529 31.700 0.049 0.000 0.923 88 L N 0.517 121.677 121.223 -0.105 0.000 2.376 88 L HA 0.410 4.750 4.340 -0.000 0.000 0.267 88 L C 1.032 177.926 176.870 0.041 0.000 1.035 88 L CA -0.907 53.924 54.840 -0.016 0.000 0.800 88 L CB 1.027 43.080 42.059 -0.010 0.000 1.290 88 L HN 0.349 nan 8.230 nan 0.000 0.462 89 S N -0.505 115.243 115.700 0.079 0.000 2.568 89 S HA 0.046 4.515 4.470 -0.000 0.000 0.282 89 S C 0.765 175.400 174.600 0.059 0.000 1.338 89 S CA -0.305 57.934 58.200 0.065 0.000 1.045 89 S CB 0.667 63.895 63.200 0.048 0.000 0.873 89 S HN 0.612 nan 8.310 nan 0.000 0.516 90 S N 2.551 118.274 115.700 0.038 0.000 2.559 90 S HA 0.281 4.751 4.470 -0.000 0.000 0.226 90 S C 0.148 174.744 174.600 -0.006 0.000 1.030 90 S CA -0.327 57.889 58.200 0.027 0.000 0.956 90 S CB 0.194 63.415 63.200 0.036 0.000 0.900 90 S HN 0.728 nan 8.310 nan 0.000 0.510 91 K N 2.033 122.423 120.400 -0.017 0.000 2.535 91 K HA 0.170 4.489 4.320 -0.000 0.000 0.250 91 K C -2.176 174.395 176.600 -0.049 0.000 0.948 91 K CA -0.446 55.813 56.287 -0.046 0.000 0.796 91 K CB 1.446 33.921 32.500 -0.042 0.000 1.216 91 K HN -0.056 nan 8.250 nan 0.000 0.432 92 D N 3.647 124.006 120.400 -0.069 0.000 2.383 92 D HA 0.073 4.713 4.640 -0.000 0.000 0.252 92 D C -0.445 175.897 176.300 0.069 0.000 1.166 92 D CA 0.355 54.337 54.000 -0.029 0.000 0.879 92 D CB 0.954 41.750 40.800 -0.007 0.000 1.164 92 D HN 0.530 nan 8.370 nan 0.000 0.462 93 K N 1.977 122.402 120.400 0.042 0.000 2.676 93 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 93 K C 1.176 177.759 176.600 -0.029 0.000 1.084 93 K CA -0.052 56.261 56.287 0.042 0.000 1.057 93 K CB 0.738 33.242 32.500 0.008 0.000 0.791 93 K HN 0.419 nan 8.250 nan 0.000 0.484 94 T N -1.567 112.962 114.554 -0.041 0.000 3.113 94 T HA 0.146 4.496 4.350 -0.000 0.000 0.256 94 T C 0.722 175.322 174.700 -0.165 0.000 1.131 94 T CA 0.178 62.211 62.100 -0.113 0.000 1.074 94 T CB 0.026 68.854 68.868 -0.067 0.000 0.944 94 T HN -0.107 nan 8.240 nan 0.000 0.516 95 I N 1.722 122.086 120.570 -0.343 0.000 2.436 95 I HA 0.533 4.703 4.170 -0.000 0.000 0.289 95 I C -0.291 175.599 176.117 -0.378 0.000 1.010 95 I CA -0.737 60.247 61.300 -0.526 0.000 1.098 95 I CB 1.661 38.780 38.000 -1.467 0.000 1.266 95 I HN 0.282 nan 8.210 nan 0.000 0.434 96 Q N 3.994 123.682 119.800 -0.186 0.000 2.544 96 Q HA 0.441 4.781 4.340 -0.000 0.000 0.291 96 Q C -0.771 175.175 176.000 -0.089 0.000 1.068 96 Q CA -0.861 54.795 55.803 -0.244 0.000 0.785 96 Q CB 2.022 30.517 28.738 -0.406 0.000 1.481 96 Q HN 0.518 nan 8.270 nan 0.000 0.430 97 H N -1.497 117.595 119.070 0.037 0.000 2.626 97 H HA -0.135 4.421 4.556 -0.000 0.000 0.317 97 H C -0.749 174.637 175.328 0.096 0.000 1.140 97 H CA 0.305 56.387 56.048 0.056 0.000 1.134 97 H CB -2.143 27.656 29.762 0.062 0.000 1.486 97 H HN 0.189 nan 8.280 nan 0.000 0.417 98 V N 1.092 121.084 119.914 0.130 0.000 2.521 98 V HA 0.083 4.202 4.120 -0.000 0.000 0.286 98 V C 0.930 177.072 176.094 0.080 0.000 1.034 98 V CA 0.577 62.952 62.300 0.125 0.000 1.045 98 V CB 1.256 33.075 31.823 -0.006 0.000 0.974 98 V HN 0.362 nan 8.190 nan 0.000 0.480 99 E N 3.501 123.770 120.200 0.115 0.000 2.281 99 E HA 0.511 4.861 4.350 -0.000 0.000 0.266 99 E C -1.551 174.976 176.600 -0.122 0.000 0.893 99 E CA -0.506 55.871 56.400 -0.038 0.000 0.798 99 E CB 2.459 32.214 29.700 0.091 0.000 1.245 99 E HN 0.441 nan 8.360 nan 0.000 0.410 100 V N 3.973 123.633 119.914 -0.424 0.000 2.459 100 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 100 V C -0.885 174.714 176.094 -0.826 0.000 1.029 100 V CA -0.615 61.379 62.300 -0.511 0.000 0.874 100 V CB 0.698 32.336 31.823 -0.308 0.000 0.985 100 V HN 0.527 nan 8.190 nan 0.000 0.438 101 F N 3.088 122.713 119.950 -0.542 0.000 2.507 101 F HA 0.530 5.057 4.527 -0.001 0.000 0.325 101 F C 0.043 175.310 175.800 -0.889 0.000 1.116 101 F CA -0.496 57.104 58.000 -0.666 0.000 0.930 101 F CB 1.679 40.260 39.000 -0.698 0.000 1.146 101 F HN 0.476 nan 8.300 nan 0.000 0.447 102 C N 4.741 123.716 119.300 -0.541 0.000 2.271 102 C HA 0.455 4.914 4.460 -0.000 0.000 0.323 102 C C 0.468 175.268 174.990 -0.317 0.000 1.245 102 C CA -0.486 58.346 59.018 -0.309 0.000 1.548 102 C CB -1.120 26.476 27.740 -0.240 0.000 2.214 102 C HN 0.898 nan 8.230 nan 0.000 0.477 103 Y N 3.209 123.545 120.300 0.060 0.000 2.478 103 Y HA 0.354 4.904 4.550 -0.001 0.000 0.261 103 Y C 1.606 177.535 175.900 0.048 0.000 1.127 103 Y CA 0.615 58.729 58.100 0.023 0.000 1.288 103 Y CB -0.469 37.979 38.460 -0.020 0.000 1.084 103 Y HN 0.769 nan 8.280 nan 0.000 0.530 104 A N 0.103 123.050 122.820 0.212 0.000 2.304 104 A HA 0.365 4.685 4.320 -0.000 0.000 0.271 104 A C 0.580 178.251 177.584 0.145 0.000 1.091 104 A CA -0.335 51.813 52.037 0.185 0.000 0.812 104 A CB 0.097 19.224 19.000 0.212 0.000 1.056 104 A HN 0.159 nan 8.150 nan 0.000 0.489 105 S N 0.597 116.380 115.700 0.137 0.000 2.626 105 S HA 0.069 4.539 4.470 -0.000 0.000 0.303 105 S C 0.287 174.966 174.600 0.132 0.000 1.256 105 S CA 0.347 58.617 58.200 0.117 0.000 1.069 105 S CB -0.291 62.972 63.200 0.105 0.000 0.807 105 S HN 0.666 nan 8.310 nan 0.000 0.500 212 I N 4.335 124.942 120.570 0.061 0.000 2.471 212 I HA 0.378 4.548 4.170 -0.000 0.000 0.286 212 I C 0.728 176.889 176.117 0.073 0.000 1.079 212 I CA 0.276 61.611 61.300 0.058 0.000 1.398 212 I CB 1.696 39.734 38.000 0.063 0.000 1.403 212 I HN 0.665 nan 8.210 nan 0.000 0.530 213 T N 1.980 116.570 114.554 0.060 0.000 2.950 213 T HA 0.236 4.586 4.350 -0.000 0.000 0.288 213 T C 0.795 175.548 174.700 0.088 0.000 1.035 213 T CA -0.550 61.603 62.100 0.089 0.000 1.028 213 T CB 1.227 70.141 68.868 0.076 0.000 1.109 213 T HN 0.556 nan 8.240 nan 0.000 0.514 214 Y N 1.214 121.510 120.300 -0.006 0.000 2.207 214 Y HA -0.142 4.408 4.550 -0.000 0.000 0.287 214 Y C 2.902 178.750 175.900 -0.087 0.000 1.156 214 Y CA 2.021 60.090 58.100 -0.052 0.000 1.182 214 Y CB -0.242 38.224 38.460 0.010 0.000 0.979 214 Y HN 0.801 nan 8.280 nan 0.000 0.521 215 S N -0.148 115.522 115.700 -0.050 0.000 2.400 215 S HA -0.277 4.192 4.470 -0.000 0.000 0.232 215 S C 1.723 176.225 174.600 -0.164 0.000 1.025 215 S CA 1.805 59.932 58.200 -0.122 0.000 0.993 215 S CB -0.370 62.820 63.200 -0.016 0.000 0.808 215 S HN 0.715 nan 8.310 nan 0.000 0.478 216 Q N -0.030 119.698 119.800 -0.121 0.000 2.245 216 Q HA 0.175 4.514 4.340 -0.000 0.000 0.201 216 Q C 2.118 178.018 176.000 -0.166 0.000 0.955 216 Q CA 1.289 57.030 55.803 -0.103 0.000 0.870 216 Q CB -0.174 28.537 28.738 -0.045 0.000 0.945 216 Q HN 0.624 nan 8.270 nan 0.000 0.461 217 I N 0.295 120.680 120.570 -0.308 0.000 2.286 217 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 217 I C 1.915 177.689 176.117 -0.572 0.000 1.104 217 I CA 0.673 61.678 61.300 -0.492 0.000 1.397 217 I CB -0.176 37.316 38.000 -0.847 0.000 1.072 217 I HN 0.235 nan 8.210 nan 0.000 0.417 218 I N 1.105 121.315 120.570 -0.601 0.000 2.179 218 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 218 I C 2.537 178.550 176.117 -0.174 0.000 1.088 218 I CA 1.633 62.702 61.300 -0.385 0.000 1.357 218 I CB -1.109 36.672 38.000 -0.364 0.000 1.051 218 I HN 0.292 nan 8.210 nan 0.000 0.409 219 K N 0.873 121.184 120.400 -0.148 0.000 2.063 219 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 219 K C 1.259 177.839 176.600 -0.033 0.000 1.048 219 K CA 1.341 57.586 56.287 -0.071 0.000 0.928 219 K CB 0.144 32.608 32.500 -0.061 0.000 0.713 219 K HN 0.204 nan 8.250 nan 0.000 0.442 220 E N -0.365 119.821 120.200 -0.024 0.000 2.394 220 E HA 0.040 4.389 4.350 -0.000 0.000 0.191 220 E C 1.322 178.009 176.600 0.145 0.000 1.044 220 E CA 0.136 56.560 56.400 0.040 0.000 0.939 220 E CB 0.797 30.520 29.700 0.037 0.000 1.089 220 E HN 0.496 nan 8.360 nan 0.000 0.456 221 G N 1.681 110.536 108.800 0.090 0.000 2.475 221 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 221 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 221 G C 1.631 176.690 174.900 0.265 0.000 1.125 221 G CA 0.281 45.489 45.100 0.180 0.000 0.755 221 G HN 0.121 nan 8.290 nan 0.000 0.565 222 R N 0.068 120.662 120.500 0.157 0.000 2.316 222 R HA 0.100 4.440 4.340 -0.000 0.000 0.202 222 R C 2.168 178.543 176.300 0.124 0.000 1.029 222 R CA 0.108 56.284 56.100 0.126 0.000 1.018 222 R CB -0.175 30.166 30.300 0.069 0.000 0.888 222 R HN 0.289 nan 8.270 nan 0.000 0.471 223 R N -0.571 119.998 120.500 0.116 0.000 2.299 223 R HA 0.107 4.447 4.340 -0.000 0.000 0.197 223 R C 0.028 176.269 176.300 -0.099 0.000 0.971 223 R CA 0.198 56.282 56.100 -0.026 0.000 1.030 223 R CB 0.018 30.222 30.300 -0.160 0.000 0.932 223 R HN 0.006 nan 8.270 nan 0.000 0.477 224 F N 1.033 121.012 119.950 0.048 0.000 2.399 224 F HA 0.321 4.848 4.527 -0.000 0.000 0.334 224 F C 0.633 176.496 175.800 0.106 0.000 1.097 224 F CA -0.604 57.442 58.000 0.076 0.000 1.076 224 F CB 1.037 40.095 39.000 0.098 0.000 1.162 224 F HN -0.229 nan 8.300 nan 0.000 0.495 225 N N 4.382 123.254 118.700 0.287 0.000 2.690 225 N HA 0.314 5.054 4.740 -0.000 0.000 0.255 225 N C -1.226 174.444 175.510 0.268 0.000 1.195 225 N CA -0.133 53.052 53.050 0.225 0.000 0.790 225 N CB 1.502 40.111 38.487 0.203 0.000 1.216 225 N HN 0.462 nan 8.380 nan 0.000 0.528 226 I N 1.222 121.960 120.570 0.280 0.000 2.297 226 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 226 I C 0.114 176.405 176.117 0.290 0.000 1.033 226 I CA -0.528 60.969 61.300 0.328 0.000 1.253 226 I CB 0.810 38.986 38.000 0.293 0.000 1.396 226 I HN 0.069 nan 8.210 nan 0.000 0.476 227 D N 6.579 127.182 120.400 0.338 0.000 2.389 227 D HA 0.130 4.770 4.640 -0.000 0.000 0.247 227 D C 1.101 177.530 176.300 0.216 0.000 1.128 227 D CA -0.046 54.071 54.000 0.194 0.000 0.884 227 D CB 2.218 43.065 40.800 0.078 0.000 1.194 227 D HN 0.469 nan 8.370 nan 0.000 0.441 228 L N 1.243 122.536 121.223 0.117 0.000 2.341 228 L HA 0.017 4.357 4.340 -0.000 0.000 0.214 228 L C 0.652 177.615 176.870 0.156 0.000 1.115 228 L CA 0.551 55.489 54.840 0.164 0.000 0.820 228 L CB 0.235 42.301 42.059 0.012 0.000 0.944 228 L HN 0.090 nan 8.230 nan 0.000 0.452 229 V N -0.295 119.642 119.914 0.037 0.000 2.384 229 V HA 0.186 4.306 4.120 -0.000 0.000 0.287 229 V C 0.021 176.079 176.094 -0.060 0.000 1.020 229 V CA -0.326 61.945 62.300 -0.048 0.000 0.850 229 V CB 1.671 33.426 31.823 -0.114 0.000 0.987 229 V HN 0.061 nan 8.190 nan 0.000 0.436 230 S N 6.345 121.997 115.700 -0.079 0.000 2.434 230 S HA 0.624 5.094 4.470 -0.000 0.000 0.318 230 S C -0.468 174.126 174.600 -0.010 0.000 1.062 230 S CA -0.505 57.625 58.200 -0.116 0.000 1.116 230 S CB -0.121 63.026 63.200 -0.089 0.000 0.977 230 S HN 0.762 nan 8.310 nan 0.000 0.480 231 K N 3.209 123.644 120.400 0.058 0.000 2.495 231 K HA 0.639 4.959 4.320 -0.000 0.000 0.268 231 K C -1.319 175.356 176.600 0.125 0.000 1.008 231 K CA -0.844 55.493 56.287 0.084 0.000 0.882 231 K CB 1.677 34.256 32.500 0.131 0.000 1.443 231 K HN 0.452 nan 8.250 nan 0.000 0.447 232 L N 1.263 122.524 121.223 0.064 0.000 2.301 232 L HA 0.564 4.904 4.340 -0.000 0.000 0.264 232 L C -1.145 175.800 176.870 0.126 0.000 1.016 232 L CA -1.332 53.550 54.840 0.071 0.000 0.821 232 L CB 1.518 43.438 42.059 -0.231 0.000 1.346 232 L HN 0.388 nan 8.230 nan 0.000 0.429 233 L N 0.873 122.190 121.223 0.157 0.000 2.272 233 L HA 0.423 4.762 4.340 -0.000 0.000 0.289 233 L C -0.932 176.048 176.870 0.184 0.000 1.032 233 L CA 0.098 55.029 54.840 0.152 0.000 0.810 233 L CB 0.660 42.731 42.059 0.021 0.000 1.205 233 L HN 0.225 nan 8.230 nan 0.000 0.422 234 Y N 2.788 123.197 120.300 0.182 0.000 2.425 234 Y HA 0.053 4.602 4.550 -0.000 0.000 0.331 234 Y C 1.859 177.754 175.900 -0.008 0.000 1.157 234 Y CA 0.996 59.155 58.100 0.098 0.000 1.372 234 Y CB 1.245 39.754 38.460 0.082 0.000 1.253 234 Y HN 0.840 nan 8.280 nan 0.000 0.536 235 S N 2.923 118.664 115.700 0.068 0.000 2.442 235 S HA -0.025 4.444 4.470 -0.000 0.000 0.236 235 S C 0.499 175.167 174.600 0.113 0.000 1.007 235 S CA 0.649 58.909 58.200 0.101 0.000 0.965 235 S CB -0.024 63.245 63.200 0.115 0.000 0.773 235 S HN 0.645 nan 8.310 nan 0.000 0.504 236 R N 0.461 121.014 120.500 0.088 0.000 2.483 236 R HA 0.660 4.999 4.340 -0.000 0.000 0.303 236 R C -0.214 176.119 176.300 0.054 0.000 0.987 236 R CA -0.016 56.116 56.100 0.052 0.000 0.881 236 R CB 1.892 32.200 30.300 0.012 0.000 1.177 236 R HN 0.383 nan 8.270 nan 0.000 0.451 237 G N 0.924 109.748 108.800 0.040 0.000 2.322 237 G HA2 0.127 4.086 3.960 -0.000 0.000 0.295 237 G HA3 0.127 4.086 3.960 -0.000 0.000 0.295 237 G C 0.221 175.139 174.900 0.029 0.000 1.369 237 G CA -0.932 44.178 45.100 0.018 0.000 0.821 237 G HN 0.414 nan 8.290 nan 0.000 0.536 238 L N -0.274 120.963 121.223 0.024 0.000 2.017 238 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 238 L C 2.841 179.751 176.870 0.066 0.000 1.073 238 L CA 1.313 56.178 54.840 0.041 0.000 0.745 238 L CB -0.378 41.700 42.059 0.032 0.000 0.894 238 L HN 0.476 nan 8.230 nan 0.000 0.432 239 L N 0.086 121.357 121.223 0.079 0.000 2.027 239 L HA -0.180 4.159 4.340 -0.000 0.000 0.206 239 L C 2.308 179.228 176.870 0.083 0.000 1.074 239 L CA 1.532 56.433 54.840 0.102 0.000 0.745 239 L CB -0.409 41.722 42.059 0.120 0.000 0.898 239 L HN 0.114 nan 8.230 nan 0.000 0.433 240 I N -0.737 119.857 120.570 0.040 0.000 2.286 240 I HA -0.302 3.867 4.170 -0.000 0.000 0.248 240 I C 1.799 177.916 176.117 0.001 0.000 1.115 240 I CA 1.546 62.831 61.300 -0.024 0.000 1.392 240 I CB -0.215 37.753 38.000 -0.053 0.000 1.065 240 I HN 0.337 nan 8.210 nan 0.000 0.418 241 D N 0.467 120.882 120.400 0.026 0.000 2.117 241 D HA -0.188 4.451 4.640 -0.000 0.000 0.197 241 D C 1.952 178.265 176.300 0.022 0.000 0.987 241 D CA 1.198 55.212 54.000 0.023 0.000 0.829 241 D CB -0.281 40.537 40.800 0.029 0.000 0.961 241 D HN 0.316 nan 8.370 nan 0.000 0.460 242 L N 0.488 121.742 121.223 0.052 0.000 2.056 242 L HA -0.063 4.276 4.340 -0.000 0.000 0.207 242 L C 2.107 179.002 176.870 0.041 0.000 1.078 242 L CA 1.280 56.155 54.840 0.060 0.000 0.749 242 L CB -0.464 41.667 42.059 0.120 0.000 0.901 242 L HN -0.003 nan 8.230 nan 0.000 0.433 243 L N -0.941 120.311 121.223 0.049 0.000 2.046 243 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 243 L C 2.479 179.286 176.870 -0.105 0.000 1.077 243 L CA 1.553 56.359 54.840 -0.056 0.000 0.747 243 L CB -0.461 41.575 42.059 -0.039 0.000 0.896 243 L HN 0.282 nan 8.230 nan 0.000 0.432 244 I N -0.408 120.124 120.570 -0.063 0.000 2.233 244 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 244 I C 2.692 178.769 176.117 -0.067 0.000 1.093 244 I CA 1.173 62.437 61.300 -0.059 0.000 1.380 244 I CB -0.282 37.704 38.000 -0.023 0.000 1.067 244 I HN 0.224 nan 8.210 nan 0.000 0.413 245 K N 1.196 121.562 120.400 -0.056 0.000 2.026 245 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 245 K C 2.269 178.810 176.600 -0.098 0.000 1.048 245 K CA 2.063 58.313 56.287 -0.063 0.000 0.929 245 K CB -0.096 32.376 32.500 -0.048 0.000 0.713 245 K HN 0.353 nan 8.250 nan 0.000 0.439 246 S N 0.195 115.818 115.700 -0.129 0.000 2.481 246 S HA -0.064 4.405 4.470 -0.000 0.000 0.231 246 S C 0.816 175.303 174.600 -0.189 0.000 0.996 246 S CA 0.828 58.925 58.200 -0.170 0.000 0.942 246 S CB -0.149 62.939 63.200 -0.187 0.000 0.768 246 S HN 0.471 nan 8.310 nan 0.000 0.520 247 N N -0.514 118.066 118.700 -0.201 0.000 2.948 247 N HA -0.132 4.608 4.740 -0.000 0.000 0.239 247 N C 0.580 175.818 175.510 -0.454 0.000 0.954 247 N CA 0.893 53.794 53.050 -0.248 0.000 0.941 247 N CB -1.775 36.601 38.487 -0.185 0.000 1.101 247 N HN 0.375 nan 8.380 nan 0.000 0.579 248 V N 1.028 120.637 119.914 -0.510 0.000 2.913 248 V HA -0.196 3.924 4.120 -0.000 0.000 0.260 248 V C 2.230 177.961 176.094 -0.605 0.000 1.098 248 V CA 2.090 63.925 62.300 -0.775 0.000 1.121 248 V CB -0.427 30.882 31.823 -0.857 0.000 0.714 248 V HN 0.626 nan 8.190 nan 0.000 0.487 249 S N 0.810 116.298 115.700 -0.352 0.000 2.420 249 S HA -0.276 4.194 4.470 -0.000 0.000 0.237 249 S C 1.940 176.457 174.600 -0.138 0.000 1.023 249 S CA 1.382 59.492 58.200 -0.150 0.000 0.991 249 S CB -0.551 62.595 63.200 -0.090 0.000 0.792 249 S HN 0.639 nan 8.310 nan 0.000 0.488 250 R N -0.023 120.311 120.500 -0.277 0.000 2.237 250 R HA 0.067 4.407 4.340 -0.000 0.000 0.219 250 R C 1.217 177.510 176.300 -0.011 0.000 1.080 250 R CA 1.243 57.245 56.100 -0.165 0.000 0.995 250 R CB -0.365 29.813 30.300 -0.203 0.000 0.875 250 R HN 0.674 nan 8.270 nan 0.000 0.462 251 Y N -0.534 119.698 120.300 -0.114 0.000 2.466 251 Y HA 0.305 4.855 4.550 -0.000 0.000 0.272 251 Y C 0.856 176.663 175.900 -0.155 0.000 1.169 251 Y CA -0.885 57.130 58.100 -0.143 0.000 1.285 251 Y CB 0.520 38.868 38.460 -0.187 0.000 1.078 251 Y HN 0.031 nan 8.280 nan 0.000 0.523 252 A N 0.310 123.120 122.820 -0.017 0.000 2.593 252 A HA 0.695 5.015 4.320 -0.000 0.000 0.290 252 A C -1.139 176.303 177.584 -0.238 0.000 1.126 252 A CA -0.854 51.077 52.037 -0.177 0.000 0.695 252 A CB 1.763 20.572 19.000 -0.319 0.000 1.290 252 A HN 0.179 nan 8.150 nan 0.000 0.414 253 E N -0.754 119.175 120.200 -0.452 0.000 2.392 253 E HA 0.730 5.080 4.350 -0.000 0.000 0.269 253 E C -1.763 174.391 176.600 -0.742 0.000 0.924 253 E CA -0.390 55.807 56.400 -0.338 0.000 0.784 253 E CB 2.188 31.816 29.700 -0.121 0.000 1.292 253 E HN 0.448 nan 8.360 nan 0.000 0.447 254 F N 0.091 120.008 119.950 -0.056 0.000 2.629 254 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 254 F C -0.207 175.584 175.800 -0.015 0.000 1.081 254 F CA -1.124 56.844 58.000 -0.053 0.000 0.954 254 F CB 1.556 40.486 39.000 -0.117 0.000 1.337 254 F HN -0.044 nan 8.300 nan 0.000 0.474 255 K N 1.181 121.719 120.400 0.231 0.000 2.371 255 K HA 0.374 4.694 4.320 -0.000 0.000 0.251 255 K C -1.235 175.470 176.600 0.174 0.000 0.934 255 K CA -0.940 55.442 56.287 0.160 0.000 0.798 255 K CB 1.878 34.460 32.500 0.136 0.000 1.204 255 K HN 0.469 nan 8.250 nan 0.000 0.427 256 N N 1.412 120.187 118.700 0.124 0.000 2.530 256 N HA 0.166 4.906 4.740 -0.000 0.000 0.273 256 N C -0.117 175.463 175.510 0.116 0.000 1.173 256 N CA -0.351 52.769 53.050 0.116 0.000 0.967 256 N CB 0.528 39.072 38.487 0.096 0.000 1.109 256 N HN 0.348 nan 8.380 nan 0.000 0.453 257 I N 1.080 121.731 120.570 0.136 0.000 2.471 257 I HA -0.013 4.157 4.170 -0.000 0.000 0.286 257 I C 1.841 178.017 176.117 0.099 0.000 1.079 257 I CA 0.343 61.717 61.300 0.124 0.000 1.398 257 I CB 0.749 38.857 38.000 0.180 0.000 1.403 257 I HN 0.596 nan 8.210 nan 0.000 0.530 258 T N 3.556 118.155 114.554 0.076 0.000 3.015 258 T HA 0.314 4.664 4.350 -0.000 0.000 0.250 258 T C 0.812 175.550 174.700 0.063 0.000 1.057 258 T CA -0.038 62.100 62.100 0.064 0.000 1.066 258 T CB 0.159 69.058 68.868 0.053 0.000 0.959 258 T HN 0.436 nan 8.240 nan 0.000 0.488 259 R N 0.585 121.125 120.500 0.068 0.000 2.621 259 R HA 0.609 4.949 4.340 -0.000 0.000 0.284 259 R C -1.257 175.096 176.300 0.088 0.000 0.998 259 R CA -0.852 55.287 56.100 0.065 0.000 0.895 259 R CB 1.959 32.282 30.300 0.038 0.000 1.195 259 R HN 0.168 nan 8.270 nan 0.000 0.450 260 I N 4.666 125.301 120.570 0.109 0.000 2.354 260 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 260 I C -0.132 176.039 176.117 0.090 0.000 0.989 260 I CA -0.517 60.871 61.300 0.146 0.000 1.188 260 I CB 1.238 39.379 38.000 0.235 0.000 1.342 260 I HN 0.449 nan 8.210 nan 0.000 0.457 261 L N 5.002 126.264 121.223 0.065 0.000 2.333 261 L HA 0.947 5.287 4.340 -0.000 0.000 0.263 261 L C -0.178 176.711 176.870 0.031 0.000 1.014 261 L CA -0.650 54.200 54.840 0.016 0.000 0.820 261 L CB 2.178 44.200 42.059 -0.063 0.000 1.352 261 L HN 0.727 nan 8.230 nan 0.000 0.421 262 A N 0.436 123.267 122.820 0.019 0.000 2.602 262 A HA 0.775 5.095 4.320 -0.000 0.000 0.290 262 A C -1.819 175.755 177.584 -0.016 0.000 1.114 262 A CA -0.442 51.640 52.037 0.075 0.000 0.683 262 A CB 1.215 20.401 19.000 0.310 0.000 1.281 262 A HN 0.382 nan 8.150 nan 0.000 0.416 263 F N 0.574 120.595 119.950 0.119 0.000 2.411 263 F HA 0.629 5.156 4.527 -0.000 0.000 0.350 263 F C 0.919 176.738 175.800 0.032 0.000 1.114 263 F CA 0.117 58.151 58.000 0.056 0.000 1.135 263 F CB 1.532 40.547 39.000 0.025 0.000 1.120 263 F HN 0.488 nan 8.300 nan 0.000 0.495 264 R N 3.161 123.809 120.500 0.247 0.000 2.664 264 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 264 R C -0.824 175.516 176.300 0.067 0.000 1.383 264 R CA -0.486 55.677 56.100 0.105 0.000 1.563 264 R CB -0.679 29.686 30.300 0.109 0.000 1.131 264 R HN 0.738 nan 8.270 nan 0.000 0.599 265 E N 1.621 121.830 120.200 0.014 0.000 2.267 265 E HA -0.177 4.172 4.350 -0.000 0.000 0.229 265 E C 0.457 177.046 176.600 -0.019 0.000 1.193 265 E CA 0.679 57.060 56.400 -0.031 0.000 0.695 265 E CB -1.303 28.379 29.700 -0.031 0.000 1.219 265 E HN 0.976 nan 8.360 nan 0.000 0.391 266 G N -0.360 108.401 108.800 -0.064 0.000 2.184 266 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 266 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 266 G C 0.322 175.298 174.900 0.126 0.000 0.975 266 G CA 0.783 45.807 45.100 -0.126 0.000 0.642 266 G HN 0.406 nan 8.290 nan 0.000 0.536 267 T N 0.778 115.489 114.554 0.263 0.000 2.792 267 T HA 0.564 4.913 4.350 -0.000 0.000 0.280 267 T C 0.237 175.082 174.700 0.242 0.000 0.990 267 T CA -0.463 61.781 62.100 0.240 0.000 0.960 267 T CB 2.604 71.534 68.868 0.104 0.000 0.939 267 T HN 0.386 nan 8.240 nan 0.000 0.439 268 V N 4.612 124.548 119.914 0.036 0.000 2.555 268 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 268 V C 0.416 176.453 176.094 -0.096 0.000 1.044 268 V CA -0.048 62.100 62.300 -0.252 0.000 1.026 268 V CB 0.391 31.977 31.823 -0.396 0.000 0.981 268 V HN 0.982 nan 8.190 nan 0.000 0.480 269 E N 3.618 123.780 120.200 -0.063 0.000 2.408 269 E HA 0.510 4.860 4.350 -0.000 0.000 0.275 269 E C -0.980 175.622 176.600 0.005 0.000 0.935 269 E CA -1.032 55.365 56.400 -0.005 0.000 0.775 269 E CB 1.778 31.507 29.700 0.049 0.000 1.277 269 E HN 0.540 nan 8.360 nan 0.000 0.455 270 Q N 1.572 121.375 119.800 0.006 0.000 2.314 270 Q HA 0.315 4.655 4.340 -0.000 0.000 0.258 270 Q C -0.447 175.554 176.000 0.002 0.000 0.954 270 Q CA -0.727 55.081 55.803 0.009 0.000 0.890 270 Q CB 1.384 30.127 28.738 0.007 0.000 1.210 270 Q HN 0.528 nan 8.270 nan 0.000 0.410 271 V N 2.246 122.158 119.914 -0.003 0.000 2.532 271 V HA 0.627 4.747 4.120 -0.000 0.000 0.295 271 V C -2.479 173.559 176.094 -0.093 0.000 1.041 271 V CA -2.327 59.908 62.300 -0.108 0.000 0.926 271 V CB 1.017 32.771 31.823 -0.115 0.000 0.992 271 V HN 0.773 nan 8.190 nan 0.000 0.457 272 P HA 0.097 nan 4.420 nan 0.000 0.263 272 P C -0.015 177.278 177.300 -0.013 0.000 1.175 272 P CA 0.228 63.275 63.100 -0.088 0.000 0.761 272 P CB 0.530 32.145 31.700 -0.141 0.000 0.794 273 C N 2.115 121.437 119.300 0.037 0.000 3.657 273 C HA 0.391 4.851 4.460 -0.000 0.000 0.291 273 C C 0.146 175.183 174.990 0.080 0.000 1.572 273 C CA 0.604 59.682 59.018 0.101 0.000 1.818 273 C CB -1.283 26.522 27.740 0.109 0.000 2.903 273 C HN 0.746 nan 8.230 nan 0.000 0.632 274 S N -1.056 114.674 115.700 0.051 0.000 2.615 274 S HA 0.404 4.874 4.470 -0.000 0.000 0.269 274 S C 0.297 174.919 174.600 0.035 0.000 1.161 274 S CA -0.524 57.704 58.200 0.047 0.000 0.817 274 S CB 0.948 64.177 63.200 0.049 0.000 1.131 274 S HN 0.328 nan 8.310 nan 0.000 0.467 275 R N 0.383 120.911 120.500 0.046 0.000 2.083 275 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 275 R C 2.309 178.691 176.300 0.137 0.000 1.137 275 R CA 2.019 58.140 56.100 0.035 0.000 0.951 275 R CB -1.092 29.269 30.300 0.102 0.000 0.851 275 R HN 0.828 nan 8.270 nan 0.000 0.434 276 A N 1.053 123.993 122.820 0.201 0.000 1.940 276 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 276 A C 1.676 179.364 177.584 0.174 0.000 1.176 276 A CA 1.982 54.166 52.037 0.244 0.000 0.631 276 A CB -0.562 18.519 19.000 0.136 0.000 0.814 276 A HN 0.418 nan 8.150 nan 0.000 0.446 277 D N -0.314 120.140 120.400 0.090 0.000 2.097 277 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 277 D C 2.088 178.403 176.300 0.024 0.000 0.989 277 D CA 1.511 55.540 54.000 0.048 0.000 0.827 277 D CB -0.448 40.364 40.800 0.020 0.000 0.966 277 D HN 0.224 nan 8.370 nan 0.000 0.456 278 V N 0.510 120.409 119.914 -0.025 0.000 2.407 278 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 278 V C 2.206 178.256 176.094 -0.074 0.000 1.055 278 V CA 1.227 63.470 62.300 -0.094 0.000 1.049 278 V CB -0.645 31.069 31.823 -0.182 0.000 0.662 278 V HN 0.121 nan 8.190 nan 0.000 0.455 279 F N 0.723 120.678 119.950 0.008 0.000 2.102 279 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 279 F C 2.345 178.149 175.800 0.007 0.000 1.105 279 F CA 1.625 59.631 58.000 0.009 0.000 1.239 279 F CB -0.231 38.775 39.000 0.010 0.000 0.991 279 F HN 0.217 nan 8.300 nan 0.000 0.474 280 N N -0.238 118.584 118.700 0.204 0.000 2.461 280 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 280 N C 0.514 176.065 175.510 0.069 0.000 1.134 280 N CA 0.184 53.303 53.050 0.114 0.000 0.878 280 N CB 0.026 38.565 38.487 0.087 0.000 0.972 280 N HN 0.013 nan 8.380 nan 0.000 0.456 281 S N 0.856 116.588 115.700 0.052 0.000 2.533 281 S HA 0.096 4.566 4.470 -0.000 0.000 0.282 281 S C 0.951 175.570 174.600 0.031 0.000 1.304 281 S CA 0.027 58.241 58.200 0.023 0.000 1.063 281 S CB 0.786 63.982 63.200 -0.007 0.000 0.881 281 S HN 0.120 nan 8.310 nan 0.000 0.493 282 K N 2.881 123.298 120.400 0.028 0.000 2.387 282 K HA 0.169 4.488 4.320 -0.000 0.000 0.203 282 K C 0.829 177.447 176.600 0.030 0.000 1.030 282 K CA -0.051 56.255 56.287 0.030 0.000 1.099 282 K CB 0.365 32.882 32.500 0.028 0.000 0.863 282 K HN 0.457 nan 8.250 nan 0.000 0.529 283 Q N 0.380 120.199 119.800 0.032 0.000 2.282 283 Q HA 0.284 4.624 4.340 -0.000 0.000 0.206 283 Q C -0.605 175.429 176.000 0.057 0.000 0.878 283 Q CA 0.265 56.097 55.803 0.047 0.000 0.944 283 Q CB 0.698 29.473 28.738 0.061 0.000 1.100 283 Q HN 0.135 nan 8.270 nan 0.000 0.509 284 L N 0.607 121.853 121.223 0.039 0.000 2.365 284 L HA 0.490 4.830 4.340 -0.000 0.000 0.273 284 L C 0.114 177.000 176.870 0.027 0.000 1.000 284 L CA -0.963 53.901 54.840 0.040 0.000 0.819 284 L CB 2.001 44.074 42.059 0.023 0.000 1.284 284 L HN 0.010 nan 8.230 nan 0.000 0.418 285 T N -1.211 113.358 114.554 0.025 0.000 2.813 285 T HA 0.131 4.481 4.350 -0.000 0.000 0.297 285 T C 1.312 176.020 174.700 0.014 0.000 1.036 285 T CA -0.689 61.422 62.100 0.018 0.000 1.044 285 T CB 0.863 69.739 68.868 0.013 0.000 0.993 285 T HN 0.443 nan 8.240 nan 0.000 0.535 286 M N 0.987 120.596 119.600 0.015 0.000 2.149 286 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 286 M C 2.426 178.730 176.300 0.006 0.000 1.064 286 M CA 1.171 56.480 55.300 0.015 0.000 1.102 286 M CB -1.506 31.108 32.600 0.023 0.000 1.369 286 M HN 0.717 nan 8.290 nan 0.000 0.408 287 V N 0.200 120.117 119.914 0.005 0.000 2.427 287 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 287 V C 1.971 178.064 176.094 -0.003 0.000 1.051 287 V CA 1.824 64.124 62.300 -0.000 0.000 1.048 287 V CB -0.271 31.549 31.823 -0.004 0.000 0.666 287 V HN 0.478 nan 8.190 nan 0.000 0.456 288 E N -0.149 120.052 120.200 0.001 0.000 2.072 288 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 288 E C 2.260 178.861 176.600 0.002 0.000 0.985 288 E CA 1.488 57.892 56.400 0.006 0.000 0.801 288 E CB -0.130 29.584 29.700 0.023 0.000 0.750 288 E HN 0.624 nan 8.360 nan 0.000 0.452 289 K N 0.565 120.958 120.400 -0.012 0.000 2.057 289 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 289 K C 2.269 178.847 176.600 -0.037 0.000 1.049 289 K CA 1.017 57.278 56.287 -0.043 0.000 0.931 289 K CB -0.142 32.314 32.500 -0.073 0.000 0.714 289 K HN -0.031 nan 8.250 nan 0.000 0.440 290 R N 0.956 121.444 120.500 -0.019 0.000 2.073 290 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 290 R C 2.367 178.675 176.300 0.013 0.000 1.134 290 R CA 1.565 57.661 56.100 -0.006 0.000 0.952 290 R CB -0.093 30.207 30.300 0.001 0.000 0.850 290 R HN 0.155 nan 8.270 nan 0.000 0.433 291 M N 0.316 119.923 119.600 0.012 0.000 2.065 291 M HA -0.245 4.234 4.480 -0.000 0.000 0.259 291 M C 2.409 178.754 176.300 0.075 0.000 1.069 291 M CA 1.663 56.977 55.300 0.023 0.000 1.110 291 M CB -0.474 32.119 32.600 -0.011 0.000 1.328 291 M HN 0.267 nan 8.290 nan 0.000 0.405 292 L N 0.091 121.354 121.223 0.066 0.000 1.989 292 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 292 L C 2.717 179.665 176.870 0.130 0.000 1.071 292 L CA 1.437 56.346 54.840 0.115 0.000 0.749 292 L CB -0.262 41.833 42.059 0.061 0.000 0.890 292 L HN 0.383 nan 8.230 nan 0.000 0.431 293 M N -0.376 119.257 119.600 0.054 0.000 2.080 293 M HA -0.287 4.193 4.480 -0.000 0.000 0.260 293 M C 2.166 178.515 176.300 0.083 0.000 1.068 293 M CA 1.688 57.012 55.300 0.039 0.000 1.109 293 M CB -1.258 31.332 32.600 -0.016 0.000 1.342 293 M HN 0.179 nan 8.290 nan 0.000 0.405 294 K N -0.418 120.038 120.400 0.093 0.000 2.020 294 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 294 K C 2.072 178.788 176.600 0.193 0.000 1.050 294 K CA 1.735 58.090 56.287 0.112 0.000 0.929 294 K CB -0.411 32.141 32.500 0.086 0.000 0.714 294 K HN 0.194 nan 8.250 nan 0.000 0.443 295 F N 1.209 121.212 119.950 0.090 0.000 2.134 295 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 295 F C 1.646 177.593 175.800 0.245 0.000 1.097 295 F CA 1.232 59.340 58.000 0.180 0.000 1.264 295 F CB 0.055 39.122 39.000 0.112 0.000 1.001 295 F HN -0.014 nan 8.300 nan 0.000 0.479 296 L N -0.672 120.602 121.223 0.085 0.000 2.217 296 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 296 L C 2.213 179.059 176.870 -0.041 0.000 1.107 296 L CA 1.261 56.078 54.840 -0.038 0.000 0.783 296 L CB -1.048 41.046 42.059 0.059 0.000 0.919 296 L HN 0.112 nan 8.230 nan 0.000 0.442 297 T N 0.104 114.678 114.554 0.032 0.000 2.777 297 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 297 T C 1.577 176.312 174.700 0.059 0.000 1.040 297 T CA 1.481 63.611 62.100 0.049 0.000 1.141 297 T CB -0.297 68.618 68.868 0.077 0.000 0.868 297 T HN 0.322 nan 8.240 nan 0.000 0.444 298 F N 1.566 121.475 119.950 -0.068 0.000 2.113 298 F HA -0.094 4.432 4.527 -0.000 0.000 0.297 298 F C 2.373 178.159 175.800 -0.023 0.000 1.103 298 F CA 0.371 58.342 58.000 -0.050 0.000 1.248 298 F CB -1.079 37.851 39.000 -0.116 0.000 0.999 298 F HN 0.131 nan 8.300 nan 0.000 0.475 299 C N 0.420 119.275 119.300 -0.742 0.000 2.401 299 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 299 C C 2.893 177.708 174.990 -0.292 0.000 1.233 299 C CA 1.263 59.858 59.018 -0.707 0.000 1.753 299 C CB -1.368 26.070 27.740 -0.503 0.000 2.029 299 C HN 0.487 nan 8.230 nan 0.000 0.478 300 V N 1.411 121.226 119.914 -0.165 0.000 2.332 300 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 300 V C 1.762 177.825 176.094 -0.052 0.000 1.055 300 V CA 2.376 64.641 62.300 -0.058 0.000 1.038 300 V CB -0.705 31.103 31.823 -0.026 0.000 0.651 300 V HN 0.800 nan 8.190 nan 0.000 0.450 301 E N -0.612 119.549 120.200 -0.065 0.000 2.815 301 E HA 0.086 4.436 4.350 -0.000 0.000 0.211 301 E C 1.219 177.773 176.600 -0.076 0.000 1.004 301 E CA -0.327 56.034 56.400 -0.066 0.000 1.173 301 E CB -0.364 29.350 29.700 0.023 0.000 1.163 301 E HN 0.705 nan 8.360 nan 0.000 0.449 302 Y N 1.832 121.963 120.300 -0.283 0.000 2.165 302 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 302 Y C 1.831 177.774 175.900 0.073 0.000 1.155 302 Y CA 1.756 59.652 58.100 -0.340 0.000 1.164 302 Y CB -0.413 37.623 38.460 -0.706 0.000 0.978 302 Y HN 0.176 nan 8.280 nan 0.000 0.513 303 E N 0.787 120.380 120.200 -1.012 0.000 2.510 303 E HA -0.152 4.198 4.350 -0.000 0.000 0.202 303 E C 0.829 177.322 176.600 -0.180 0.000 1.072 303 E CA 1.087 57.162 56.400 -0.541 0.000 0.883 303 E CB -0.410 28.859 29.700 -0.718 0.000 0.818 303 E HN 0.754 nan 8.360 nan 0.000 0.548 304 E N 0.357 120.438 120.200 -0.198 0.000 2.501 304 E HA 0.066 4.416 4.350 -0.000 0.000 0.201 304 E C -0.250 176.074 176.600 -0.459 0.000 1.016 304 E CA -0.056 56.152 56.400 -0.320 0.000 0.920 304 E CB 0.439 29.886 29.700 -0.421 0.000 1.023 304 E HN 0.363 nan 8.360 nan 0.000 0.474 305 H N -0.881 118.326 119.070 0.228 0.000 2.511 305 H HA 0.162 4.718 4.556 -0.000 0.000 0.228 305 H C -2.150 173.274 175.328 0.161 0.000 1.424 305 H CA -1.799 54.402 56.048 0.255 0.000 1.321 305 H CB 0.790 30.825 29.762 0.454 0.000 1.720 305 H HN 0.048 nan 8.280 nan 0.000 0.512 306 P HA -0.224 nan 4.420 nan 0.000 0.213 306 P C 1.179 178.241 177.300 -0.396 0.000 1.176 306 P CA 1.949 64.879 63.100 -0.284 0.000 0.919 306 P CB 0.232 31.859 31.700 -0.121 0.000 0.791 307 D N -0.999 119.328 120.400 -0.121 0.000 2.309 307 D HA -0.189 4.451 4.640 -0.000 0.000 0.212 307 D C 1.722 178.034 176.300 0.020 0.000 0.968 307 D CA 0.686 54.654 54.000 -0.053 0.000 0.882 307 D CB -0.861 39.943 40.800 0.006 0.000 0.918 307 D HN 0.163 nan 8.370 nan 0.000 0.503 308 E N -0.260 119.984 120.200 0.073 0.000 2.204 308 E HA -0.210 4.139 4.350 -0.000 0.000 0.195 308 E C 0.969 177.777 176.600 0.346 0.000 0.990 308 E CA 1.106 57.618 56.400 0.187 0.000 0.821 308 E CB -0.146 29.727 29.700 0.287 0.000 0.750 308 E HN 0.792 nan 8.360 nan 0.000 0.477 309 Y N -3.699 116.806 120.300 0.341 0.000 2.540 309 Y HA 0.464 5.013 4.550 -0.000 0.000 0.257 309 Y C 1.557 177.646 175.900 0.315 0.000 1.090 309 Y CA -0.534 57.770 58.100 0.340 0.000 1.242 309 Y CB -0.416 38.127 38.460 0.138 0.000 1.325 309 Y HN -0.196 nan 8.280 nan 0.000 0.544 310 R N 1.973 122.395 120.500 -0.131 0.000 2.134 310 R HA -0.235 4.105 4.340 -0.000 0.000 0.248 310 R C 1.972 178.308 176.300 0.061 0.000 1.143 310 R CA 2.009 58.065 56.100 -0.073 0.000 0.957 310 R CB -0.560 29.669 30.300 -0.118 0.000 0.867 310 R HN 0.552 nan 8.270 nan 0.000 0.441 311 A N -0.405 122.461 122.820 0.077 0.000 2.067 311 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 311 A C 0.722 178.160 177.584 -0.243 0.000 1.158 311 A CA 0.909 52.869 52.037 -0.127 0.000 0.661 311 A CB -0.231 18.603 19.000 -0.276 0.000 0.801 311 A HN 0.472 nan 8.150 nan 0.000 0.452 312 Y N 0.045 120.443 120.300 0.162 0.000 2.756 312 Y HA 0.275 4.825 4.550 -0.000 0.000 0.300 312 Y C 1.421 177.406 175.900 0.141 0.000 1.113 312 Y CA -0.484 57.725 58.100 0.181 0.000 1.291 312 Y CB -0.216 38.434 38.460 0.318 0.000 1.175 312 Y HN 0.406 nan 8.280 nan 0.000 0.534 313 E N 0.136 120.467 120.200 0.218 0.000 2.112 313 E HA -0.053 4.296 4.350 -0.000 0.000 0.190 313 E C 1.991 178.668 176.600 0.130 0.000 0.979 313 E CA 0.866 57.376 56.400 0.183 0.000 0.814 313 E CB 0.000 29.797 29.700 0.161 0.000 0.762 313 E HN 0.547 nan 8.360 nan 0.000 0.460 314 G N 0.887 109.748 108.800 0.103 0.000 3.314 314 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.238 314 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.238 314 G C 0.149 175.106 174.900 0.096 0.000 1.184 314 G CA 0.020 45.168 45.100 0.081 0.000 0.806 314 G HN 0.033 nan 8.290 nan 0.000 0.536 315 T N -0.165 114.475 114.554 0.143 0.000 2.930 315 T HA 0.541 4.891 4.350 -0.000 0.000 0.290 315 T C 0.556 175.366 174.700 0.183 0.000 1.052 315 T CA -0.073 62.127 62.100 0.167 0.000 1.017 315 T CB 1.344 70.355 68.868 0.238 0.000 1.137 315 T HN 0.147 nan 8.240 nan 0.000 0.511 316 T N 1.558 116.214 114.554 0.169 0.000 2.898 316 T HA 0.226 4.575 4.350 -0.000 0.000 0.301 316 T C 1.068 175.921 174.700 0.255 0.000 1.049 316 T CA -0.519 61.688 62.100 0.179 0.000 1.095 316 T CB 0.291 69.240 68.868 0.136 0.000 0.976 316 T HN 0.504 nan 8.240 nan 0.000 0.539 317 F N 1.813 121.812 119.950 0.082 0.000 2.126 317 F HA -0.071 4.455 4.527 -0.000 0.000 0.299 317 F C 2.712 178.584 175.800 0.120 0.000 1.096 317 F CA 1.853 59.917 58.000 0.106 0.000 1.255 317 F CB -0.946 38.079 39.000 0.041 0.000 0.997 317 F HN 0.696 nan 8.300 nan 0.000 0.479 318 S N -0.400 115.330 115.700 0.050 0.000 2.370 318 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 318 S C 2.077 176.621 174.600 -0.093 0.000 1.033 318 S CA 1.631 59.770 58.200 -0.103 0.000 1.011 318 S CB -0.458 62.726 63.200 -0.027 0.000 0.852 318 S HN 0.510 nan 8.310 nan 0.000 0.457 319 E N -0.017 120.195 120.200 0.020 0.000 2.072 319 E HA -0.115 4.234 4.350 -0.000 0.000 0.191 319 E C 1.722 178.340 176.600 0.030 0.000 0.985 319 E CA 1.378 57.805 56.400 0.045 0.000 0.801 319 E CB -0.642 29.130 29.700 0.121 0.000 0.750 319 E HN 0.721 nan 8.360 nan 0.000 0.452 320 Y N 0.842 121.109 120.300 -0.055 0.000 2.081 320 Y HA -0.222 4.328 4.550 -0.000 0.000 0.280 320 Y C 1.855 177.571 175.900 -0.306 0.000 1.163 320 Y CA 1.981 59.984 58.100 -0.162 0.000 1.135 320 Y CB -0.526 37.915 38.460 -0.033 0.000 0.970 320 Y HN 0.053 nan 8.280 nan 0.000 0.498 321 L N 0.315 121.229 121.223 -0.514 0.000 2.189 321 L HA -0.271 4.068 4.340 -0.000 0.000 0.214 321 L C 2.310 178.862 176.870 -0.531 0.000 1.097 321 L CA 1.724 56.158 54.840 -0.676 0.000 0.764 321 L CB -0.548 41.131 42.059 -0.633 0.000 0.900 321 L HN 0.209 nan 8.230 nan 0.000 0.436 322 K N -0.618 119.565 120.400 -0.361 0.000 2.362 322 K HA -0.092 4.227 4.320 -0.000 0.000 0.200 322 K C 1.702 178.146 176.600 -0.260 0.000 1.046 322 K CA 1.539 57.674 56.287 -0.252 0.000 0.952 322 K CB -0.125 32.289 32.500 -0.144 0.000 0.753 322 K HN 0.421 nan 8.250 nan 0.000 0.466 323 T N -1.575 112.761 114.554 -0.364 0.000 3.145 323 T HA 0.131 4.480 4.350 -0.000 0.000 0.255 323 T C 0.398 174.844 174.700 -0.423 0.000 1.039 323 T CA -0.460 61.442 62.100 -0.330 0.000 0.928 323 T CB 0.282 68.944 68.868 -0.343 0.000 1.029 323 T HN -0.155 nan 8.240 nan 0.000 0.554 324 Q N 1.056 120.557 119.800 -0.499 0.000 2.252 324 Q HA 0.437 4.777 4.340 -0.000 0.000 0.256 324 Q C -0.454 175.344 176.000 -0.337 0.000 1.020 324 Q CA -0.684 54.832 55.803 -0.479 0.000 0.913 324 Q CB 1.567 29.885 28.738 -0.701 0.000 1.286 324 Q HN 0.339 nan 8.270 nan 0.000 0.480 325 K N 1.326 121.568 120.400 -0.264 0.000 2.278 325 K HA 0.346 4.666 4.320 -0.000 0.000 0.237 325 K C -0.579 175.905 176.600 -0.194 0.000 1.229 325 K CA 0.161 56.342 56.287 -0.177 0.000 1.155 325 K CB -0.307 32.130 32.500 -0.104 0.000 1.590 325 K HN 0.223 nan 8.250 nan 0.000 0.290 326 L N 0.396 121.478 121.223 -0.236 0.000 2.505 326 L HA 0.260 4.599 4.340 -0.000 0.000 0.259 326 L C 0.297 177.065 176.870 -0.171 0.000 0.952 326 L CA -1.051 53.656 54.840 -0.222 0.000 0.840 326 L CB 2.298 44.132 42.059 -0.375 0.000 1.358 326 L HN 0.319 nan 8.230 nan 0.000 0.409 327 T N -2.003 112.486 114.554 -0.109 0.000 2.813 327 T HA 0.234 4.584 4.350 -0.000 0.000 0.297 327 T C -1.684 172.958 174.700 -0.096 0.000 1.036 327 T CA -1.277 60.771 62.100 -0.086 0.000 1.044 327 T CB 0.924 69.763 68.868 -0.047 0.000 0.993 327 T HN 0.481 nan 8.240 nan 0.000 0.535 328 P HA -0.136 nan 4.420 nan 0.000 0.218 328 P C 1.306 178.558 177.300 -0.079 0.000 1.149 328 P CA 1.251 64.299 63.100 -0.086 0.000 0.817 328 P CB -0.032 31.621 31.700 -0.077 0.000 0.785 329 N N 0.432 119.079 118.700 -0.088 0.000 2.069 329 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 329 N C 1.988 177.459 175.510 -0.065 0.000 1.031 329 N CA 1.337 54.308 53.050 -0.131 0.000 0.852 329 N CB -1.059 37.391 38.487 -0.061 0.000 1.018 329 N HN 0.048 nan 8.380 nan 0.000 0.423 330 L N -0.060 121.190 121.223 0.045 0.000 2.046 330 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 330 L C 2.471 179.372 176.870 0.052 0.000 1.077 330 L CA 1.254 56.177 54.840 0.138 0.000 0.747 330 L CB -0.564 41.522 42.059 0.046 0.000 0.896 330 L HN 0.392 nan 8.230 nan 0.000 0.432 331 Q N -1.151 118.605 119.800 -0.074 0.000 2.084 331 Q HA -0.267 4.072 4.340 -0.000 0.000 0.202 331 Q C 2.059 177.997 176.000 -0.104 0.000 0.978 331 Q CA 1.925 57.633 55.803 -0.158 0.000 0.844 331 Q CB -0.313 28.303 28.738 -0.203 0.000 0.898 331 Q HN 0.447 nan 8.270 nan 0.000 0.426 332 Y N 0.300 120.483 120.300 -0.194 0.000 2.097 332 Y HA -0.292 4.257 4.550 -0.001 0.000 0.282 332 Y C 1.788 177.620 175.900 -0.113 0.000 1.152 332 Y CA 1.609 59.601 58.100 -0.180 0.000 1.136 332 Y CB -0.212 38.107 38.460 -0.234 0.000 0.975 332 Y HN 0.006 nan 8.280 nan 0.000 0.498 333 F N -0.802 119.273 119.950 0.209 0.000 2.095 333 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 333 F C 2.450 178.252 175.800 0.004 0.000 1.104 333 F CA 1.534 59.606 58.000 0.121 0.000 1.232 333 F CB -1.370 37.692 39.000 0.104 0.000 0.987 333 F HN -0.090 nan 8.300 nan 0.000 0.475 334 V N -0.247 119.774 119.914 0.179 0.000 2.261 334 V HA -0.284 3.835 4.120 -0.000 0.000 0.246 334 V C 2.388 178.527 176.094 0.076 0.000 1.047 334 V CA 1.763 64.135 62.300 0.120 0.000 1.015 334 V CB -0.815 31.083 31.823 0.124 0.000 0.642 334 V HN 0.256 nan 8.190 nan 0.000 0.446 335 L N -0.585 120.589 121.223 -0.082 0.000 1.989 335 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 335 L C 2.526 179.245 176.870 -0.252 0.000 1.071 335 L CA 2.131 56.855 54.840 -0.193 0.000 0.749 335 L CB -0.710 41.011 42.059 -0.563 0.000 0.890 335 L HN 0.433 nan 8.230 nan 0.000 0.431 336 H N -2.377 116.625 119.070 -0.113 0.000 2.486 336 H HA 0.219 4.775 4.556 -0.000 0.000 0.287 336 H C 2.226 177.563 175.328 0.016 0.000 1.010 336 H CA 1.178 57.158 56.048 -0.113 0.000 1.324 336 H CB 0.083 29.631 29.762 -0.358 0.000 1.446 336 H HN 0.327 nan 8.280 nan 0.000 0.537 337 S N -0.124 115.678 115.700 0.170 0.000 2.483 337 S HA 0.154 4.624 4.470 -0.000 0.000 0.221 337 S C 2.122 176.702 174.600 -0.034 0.000 1.030 337 S CA 0.109 58.404 58.200 0.158 0.000 0.925 337 S CB 0.592 63.940 63.200 0.248 0.000 0.795 337 S HN 0.180 nan 8.310 nan 0.000 0.511 338 I N 0.943 121.390 120.570 -0.205 0.000 2.962 338 I HA 0.162 4.331 4.170 -0.000 0.000 0.246 338 I C 2.589 178.523 176.117 -0.305 0.000 1.091 338 I CA 0.712 61.584 61.300 -0.713 0.000 1.469 338 I CB -0.476 37.173 38.000 -0.585 0.000 1.324 338 I HN 0.206 nan 8.210 nan 0.000 0.461 339 A N 0.600 123.385 122.820 -0.059 0.000 1.898 339 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 339 A C 1.285 178.920 177.584 0.085 0.000 1.181 339 A CA 0.600 52.647 52.037 0.016 0.000 0.620 339 A CB -0.352 18.669 19.000 0.036 0.000 0.819 339 A HN 0.423 nan 8.150 nan 0.000 0.442 344 T N -1.062 113.576 114.554 0.140 0.000 2.985 344 T HA 0.092 4.442 4.350 -0.000 0.000 0.254 344 T C 1.521 176.283 174.700 0.103 0.000 1.021 344 T CA 1.046 63.214 62.100 0.113 0.000 0.957 344 T CB 0.189 69.107 68.868 0.083 0.000 1.047 344 T HN 0.211 nan 8.240 nan 0.000 0.511 345 T N -0.329 114.287 114.554 0.103 0.000 3.086 345 T HA 0.271 4.621 4.350 -0.000 0.000 0.250 345 T C 0.750 175.511 174.700 0.101 0.000 1.074 345 T CA -0.355 61.802 62.100 0.095 0.000 0.988 345 T CB -0.409 68.508 68.868 0.081 0.000 0.988 345 T HN 0.178 nan 8.240 nan 0.000 0.530 346 S N 2.503 118.266 115.700 0.105 0.000 2.558 346 S HA 0.211 4.681 4.470 -0.000 0.000 0.293 346 S C 1.266 175.923 174.600 0.094 0.000 1.292 346 S CA -0.402 57.846 58.200 0.080 0.000 1.063 346 S CB -0.510 62.722 63.200 0.053 0.000 0.831 346 S HN 0.851 nan 8.310 nan 0.000 0.499 347 C N 3.394 122.729 119.300 0.059 0.000 2.700 347 C HA 0.258 4.717 4.460 -0.000 0.000 0.397 347 C C 2.167 177.187 174.990 0.050 0.000 1.301 347 C CA -0.501 58.559 59.018 0.071 0.000 2.219 347 C CB -0.735 27.034 27.740 0.047 0.000 2.699 347 C HN 0.875 nan 8.230 nan 0.000 0.669 348 T N 1.945 116.564 114.554 0.108 0.000 2.624 348 T HA -0.184 4.165 4.350 -0.000 0.000 0.268 348 T C 1.819 176.409 174.700 -0.183 0.000 1.041 348 T CA 2.339 64.494 62.100 0.092 0.000 1.159 348 T CB -0.345 68.534 68.868 0.018 0.000 0.863 348 T HN 0.703 nan 8.240 nan 0.000 0.434 349 V N 1.759 121.564 119.914 -0.180 0.000 2.407 349 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 349 V C 2.346 178.220 176.094 -0.366 0.000 1.055 349 V CA 1.688 63.803 62.300 -0.309 0.000 1.049 349 V CB -0.590 31.175 31.823 -0.095 0.000 0.662 349 V HN 0.426 nan 8.190 nan 0.000 0.455 350 D N 0.793 121.039 120.400 -0.257 0.000 2.117 350 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 350 D C 2.227 178.253 176.300 -0.457 0.000 0.987 350 D CA 1.680 55.524 54.000 -0.259 0.000 0.829 350 D CB -0.528 40.184 40.800 -0.145 0.000 0.961 350 D HN 0.478 nan 8.370 nan 0.000 0.460 351 G N 0.414 108.763 108.800 -0.752 0.000 2.408 351 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.217 351 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.217 351 G C 1.794 175.927 174.900 -1.279 0.000 1.150 351 G CA 0.158 44.333 45.100 -1.543 0.000 0.776 351 G HN 0.246 nan 8.290 nan 0.000 0.542 352 L N -0.174 120.451 121.223 -0.996 0.000 2.072 352 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 352 L C 2.810 179.159 176.870 -0.868 0.000 1.079 352 L CA 1.209 55.481 54.840 -0.947 0.000 0.752 352 L CB -0.309 40.888 42.059 -1.436 0.000 0.906 352 L HN 0.186 nan 8.230 nan 0.000 0.436 353 K N 0.342 120.315 120.400 -0.711 0.000 2.026 353 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 353 K C 2.155 178.629 176.600 -0.210 0.000 1.048 353 K CA 1.397 57.495 56.287 -0.315 0.000 0.929 353 K CB -0.068 32.323 32.500 -0.181 0.000 0.713 353 K HN 0.266 nan 8.250 nan 0.000 0.439 354 A N 0.499 123.168 122.820 -0.252 0.000 1.877 354 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 354 A C 2.192 179.746 177.584 -0.050 0.000 1.186 354 A CA 2.253 54.214 52.037 -0.126 0.000 0.620 354 A CB -1.084 17.828 19.000 -0.145 0.000 0.822 354 A HN 0.413 nan 8.150 nan 0.000 0.443 355 T N -0.303 114.161 114.554 -0.151 0.000 2.720 355 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 355 T C 1.990 176.689 174.700 -0.001 0.000 1.037 355 T CA 1.715 63.778 62.100 -0.062 0.000 1.144 355 T CB -0.201 68.626 68.868 -0.068 0.000 0.864 355 T HN 0.613 nan 8.240 nan 0.000 0.444 356 K N 1.233 121.594 120.400 -0.066 0.000 2.026 356 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 356 K C 2.404 179.033 176.600 0.049 0.000 1.048 356 K CA 1.454 57.740 56.287 -0.001 0.000 0.929 356 K CB -0.160 32.369 32.500 0.048 0.000 0.713 356 K HN 0.206 nan 8.250 nan 0.000 0.439 357 K N -0.021 120.403 120.400 0.041 0.000 2.074 357 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 357 K C 2.061 178.733 176.600 0.120 0.000 1.048 357 K CA 1.740 58.051 56.287 0.041 0.000 0.926 357 K CB -0.320 32.165 32.500 -0.025 0.000 0.713 357 K HN 0.196 nan 8.250 nan 0.000 0.444 358 F N 1.547 121.514 119.950 0.029 0.000 2.069 358 F HA -0.214 4.312 4.527 -0.000 0.000 0.298 358 F C 1.834 177.622 175.800 -0.021 0.000 1.113 358 F CA 1.494 59.514 58.000 0.033 0.000 1.214 358 F CB -0.131 38.912 39.000 0.072 0.000 0.978 358 F HN -0.025 nan 8.300 nan 0.000 0.474 359 L N -0.047 121.375 121.223 0.332 0.000 2.042 359 L HA -0.273 4.066 4.340 -0.000 0.000 0.210 359 L C 2.499 179.397 176.870 0.046 0.000 1.076 359 L CA 1.585 56.537 54.840 0.186 0.000 0.749 359 L CB -0.966 41.169 42.059 0.127 0.000 0.893 359 L HN 0.256 nan 8.230 nan 0.000 0.432 360 Q N -0.990 118.826 119.800 0.027 0.000 2.170 360 Q HA -0.198 4.142 4.340 -0.000 0.000 0.203 360 Q C 2.415 178.386 176.000 -0.049 0.000 0.976 360 Q CA 1.589 57.385 55.803 -0.012 0.000 0.858 360 Q CB -0.239 28.494 28.738 -0.009 0.000 0.907 360 Q HN 0.591 nan 8.270 nan 0.000 0.433 361 C N 0.483 119.733 119.300 -0.083 0.000 2.448 361 C HA 0.059 4.519 4.460 -0.000 0.000 0.280 361 C C 1.205 176.087 174.990 -0.179 0.000 1.398 361 C CA -0.424 58.513 59.018 -0.135 0.000 1.774 361 C CB -0.779 26.839 27.740 -0.203 0.000 1.888 361 C HN 0.377 nan 8.230 nan 0.000 0.519 362 L N 1.424 122.534 121.223 -0.188 0.000 2.578 362 L HA 0.206 4.545 4.340 -0.000 0.000 0.279 362 L C 1.511 178.320 176.870 -0.102 0.000 1.227 362 L CA 1.270 56.014 54.840 -0.160 0.000 0.900 362 L CB -0.295 41.712 42.059 -0.086 0.000 1.144 362 L HN 0.593 nan 8.230 nan 0.000 0.496 363 G N 2.437 111.183 108.800 -0.090 0.000 2.168 363 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.263 363 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.263 363 G C 1.264 176.098 174.900 -0.109 0.000 0.977 363 G CA 0.768 45.825 45.100 -0.072 0.000 0.659 363 G HN 0.790 nan 8.290 nan 0.000 0.533 364 R N -1.176 119.243 120.500 -0.135 0.000 2.073 364 R HA 0.088 4.428 4.340 -0.000 0.000 0.229 364 R C 1.835 177.854 176.300 -0.469 0.000 1.120 364 R CA 1.940 57.874 56.100 -0.275 0.000 0.967 364 R CB -0.081 30.073 30.300 -0.243 0.000 0.862 364 R HN 0.554 nan 8.270 nan 0.000 0.436 365 Y N -2.203 118.062 120.300 -0.059 0.000 2.441 365 Y HA 0.419 4.969 4.550 -0.000 0.000 0.266 365 Y C 0.767 176.652 175.900 -0.025 0.000 1.093 365 Y CA 0.172 58.249 58.100 -0.039 0.000 1.246 365 Y CB 1.623 40.057 38.460 -0.042 0.000 1.262 365 Y HN 0.166 nan 8.280 nan 0.000 0.518 366 G N -0.286 108.570 108.800 0.093 0.000 2.682 366 G HA2 0.176 4.136 3.960 -0.000 0.000 0.303 366 G HA3 0.176 4.136 3.960 -0.000 0.000 0.303 366 G C -0.454 174.450 174.900 0.006 0.000 1.341 366 G CA -0.371 44.761 45.100 0.054 0.000 0.784 366 G HN 0.048 nan 8.290 nan 0.000 0.497 367 N N -0.846 117.859 118.700 0.008 0.000 2.381 367 N HA 0.004 4.744 4.740 -0.000 0.000 0.182 367 N C 1.218 176.702 175.510 -0.042 0.000 1.025 367 N CA 1.651 54.697 53.050 -0.006 0.000 0.888 367 N CB -0.241 38.256 38.487 0.017 0.000 0.965 367 N HN 0.690 nan 8.380 nan 0.000 0.438 368 T N -3.870 110.648 114.554 -0.060 0.000 2.922 368 T HA 0.417 4.767 4.350 -0.000 0.000 0.281 368 T C -2.134 172.358 174.700 -0.346 0.000 1.005 368 T CA -1.908 60.092 62.100 -0.166 0.000 0.982 368 T CB 2.081 70.931 68.868 -0.030 0.000 1.158 368 T HN -0.156 nan 8.240 nan 0.000 0.566 369 P HA 0.269 nan 4.420 nan 0.000 0.255 369 P C -0.612 176.169 177.300 -0.866 0.000 1.248 369 P CA -0.058 62.489 63.100 -0.923 0.000 0.807 369 P CB -0.172 30.697 31.700 -1.385 0.000 1.150 370 F N -0.382 119.458 119.950 -0.184 0.000 2.538 370 F HA 0.520 5.046 4.527 -0.000 0.000 0.325 370 F C 0.378 176.151 175.800 -0.044 0.000 1.066 370 F CA -1.380 56.532 58.000 -0.146 0.000 0.946 370 F CB 1.252 40.149 39.000 -0.172 0.000 1.199 370 F HN -0.380 nan 8.300 nan 0.000 0.473 371 L N 1.527 122.860 121.223 0.183 0.000 2.309 371 L HA 0.615 4.955 4.340 -0.000 0.000 0.261 371 L C -1.457 175.586 176.870 0.288 0.000 1.021 371 L CA -0.688 54.240 54.840 0.148 0.000 0.823 371 L CB 2.225 44.231 42.059 -0.089 0.000 1.366 371 L HN 0.560 nan 8.230 nan 0.000 0.423 372 F N 3.015 123.084 119.950 0.198 0.000 2.574 372 F HA 0.646 5.172 4.527 -0.000 0.000 0.313 372 F C -2.523 173.425 175.800 0.247 0.000 1.130 372 F CA -1.990 56.127 58.000 0.194 0.000 0.936 372 F CB 2.207 41.261 39.000 0.090 0.000 1.219 372 F HN 0.205 nan 8.300 nan 0.000 0.445 373 P HA 0.090 nan 4.420 nan 0.000 0.271 373 P C -0.564 176.511 177.300 -0.375 0.000 1.220 373 P CA -0.164 62.618 63.100 -0.529 0.000 0.768 373 P CB 1.373 32.763 31.700 -0.518 0.000 0.848 374 L N 5.965 127.003 121.223 -0.308 0.000 2.540 374 L HA -0.038 4.301 4.340 -0.000 0.000 0.276 374 L C 0.688 177.494 176.870 -0.106 0.000 1.212 374 L CA 0.831 55.543 54.840 -0.214 0.000 0.893 374 L CB -1.274 40.631 42.059 -0.255 0.000 1.138 374 L HN 0.452 nan 8.230 nan 0.000 0.491 375 Y N 1.640 121.930 120.300 -0.017 0.000 4.936 375 Y HA -0.139 4.410 4.550 -0.000 0.000 0.266 375 Y C 1.013 176.919 175.900 0.009 0.000 0.909 375 Y CA 1.009 59.100 58.100 -0.014 0.000 1.828 375 Y CB -1.835 36.582 38.460 -0.071 0.000 1.283 375 Y HN 1.141 nan 8.280 nan 0.000 0.511 376 G N -0.437 108.408 108.800 0.075 0.000 2.612 376 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.686 376 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.686 376 G C -0.011 174.757 174.900 -0.220 0.000 1.274 376 G CA -0.259 44.830 45.100 -0.019 0.000 0.849 376 G HN 0.015 nan 8.290 nan 0.000 0.595 377 Q N 0.018 119.676 119.800 -0.236 0.000 2.234 377 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 377 Q C 2.777 178.785 176.000 0.013 0.000 0.980 377 Q CA 2.221 57.954 55.803 -0.117 0.000 0.869 377 Q CB -0.631 28.107 28.738 -0.000 0.000 0.912 377 Q HN 1.234 nan 8.270 nan 0.000 0.436 378 G N 1.160 109.973 108.800 0.021 0.000 2.501 378 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.220 378 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.220 378 G C 1.234 176.138 174.900 0.006 0.000 1.114 378 G CA 0.507 45.623 45.100 0.028 0.000 0.757 378 G HN 0.266 nan 8.290 nan 0.000 0.559 379 E N 0.382 120.566 120.200 -0.027 0.000 2.152 379 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 379 E C 2.676 179.257 176.600 -0.031 0.000 0.983 379 E CA 0.121 56.486 56.400 -0.059 0.000 0.818 379 E CB -0.277 29.367 29.700 -0.092 0.000 0.758 379 E HN 0.468 nan 8.360 nan 0.000 0.467 380 L N 0.861 122.097 121.223 0.021 0.000 2.012 380 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 380 L C -0.408 176.563 176.870 0.168 0.000 1.073 380 L CA 1.553 56.453 54.840 0.100 0.000 0.748 380 L CB -1.905 40.247 42.059 0.156 0.000 0.891 380 L HN 0.108 nan 8.230 nan 0.000 0.431 381 P HA -0.185 nan 4.420 nan 0.000 0.215 381 P C 1.523 178.869 177.300 0.077 0.000 1.153 381 P CA 1.295 64.460 63.100 0.108 0.000 0.853 381 P CB -0.001 31.747 31.700 0.081 0.000 0.788 382 Q N -1.548 118.226 119.800 -0.044 0.000 2.226 382 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 382 Q C 2.079 177.953 176.000 -0.210 0.000 0.975 382 Q CA 1.165 56.815 55.803 -0.255 0.000 0.866 382 Q CB -0.697 27.851 28.738 -0.318 0.000 0.915 382 Q HN 0.266 nan 8.270 nan 0.000 0.440 383 C N -0.495 118.753 119.300 -0.087 0.000 2.446 383 C HA -0.095 4.364 4.460 -0.000 0.000 0.277 383 C C 2.184 177.144 174.990 -0.051 0.000 1.275 383 C CA 0.498 59.484 59.018 -0.054 0.000 1.727 383 C CB -0.889 26.784 27.740 -0.111 0.000 2.010 383 C HN 0.462 nan 8.230 nan 0.000 0.486 384 F N -0.116 119.845 119.950 0.018 0.000 2.293 384 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 384 F C 2.561 178.389 175.800 0.047 0.000 1.089 384 F CA 1.102 59.117 58.000 0.024 0.000 1.377 384 F CB -0.662 38.326 39.000 -0.020 0.000 1.051 384 F HN 0.209 nan 8.300 nan 0.000 0.511 385 C N -0.186 119.208 119.300 0.157 0.000 2.422 385 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 385 C C 2.861 177.775 174.990 -0.128 0.000 1.305 385 C CA 0.904 59.968 59.018 0.078 0.000 1.757 385 C CB -1.127 26.487 27.740 -0.210 0.000 1.962 385 C HN 0.432 nan 8.230 nan 0.000 0.499 386 R N 0.724 121.103 120.500 -0.202 0.000 2.075 386 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 386 R C 2.280 178.585 176.300 0.008 0.000 1.126 386 R CA 1.667 57.615 56.100 -0.253 0.000 0.963 386 R CB -0.430 29.549 30.300 -0.535 0.000 0.858 386 R HN 0.563 nan 8.270 nan 0.000 0.435 387 M N 0.136 119.848 119.600 0.187 0.000 2.108 387 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 387 M C 2.430 178.927 176.300 0.328 0.000 1.066 387 M CA 2.040 57.518 55.300 0.298 0.000 1.107 387 M CB -0.409 32.316 32.600 0.210 0.000 1.356 387 M HN 0.446 nan 8.290 nan 0.000 0.406 388 C N 0.750 120.218 119.300 0.279 0.000 2.413 388 C HA -0.120 4.340 4.460 -0.000 0.000 0.276 388 C C 2.913 178.123 174.990 0.367 0.000 1.236 388 C CA 1.514 60.730 59.018 0.330 0.000 1.735 388 C CB -1.393 26.600 27.740 0.422 0.000 2.031 388 C HN 0.714 nan 8.230 nan 0.000 0.474 389 A N -0.094 122.926 122.820 0.333 0.000 1.883 389 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 389 A C 2.349 180.010 177.584 0.128 0.000 1.186 389 A CA 2.311 54.494 52.037 0.243 0.000 0.624 389 A CB -1.024 17.985 19.000 0.014 0.000 0.822 389 A HN 0.504 nan 8.150 nan 0.000 0.444 390 V N -1.534 118.427 119.914 0.079 0.000 2.453 390 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 390 V C 1.694 177.657 176.094 -0.218 0.000 1.068 390 V CA 1.697 63.953 62.300 -0.072 0.000 1.070 390 V CB -0.852 30.919 31.823 -0.086 0.000 0.664 390 V HN 0.563 nan 8.190 nan 0.000 0.461 391 F N 0.160 120.148 119.950 0.064 0.000 2.663 391 F HA 0.484 5.011 4.527 -0.000 0.000 0.299 391 F C 1.614 177.456 175.800 0.070 0.000 1.143 391 F CA 0.646 58.681 58.000 0.057 0.000 1.387 391 F CB 0.122 39.152 39.000 0.051 0.000 1.019 391 F HN 0.217 nan 8.300 nan 0.000 0.523 392 G N -0.277 108.615 108.800 0.152 0.000 2.176 392 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.232 392 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.232 392 G C 0.760 175.767 174.900 0.178 0.000 0.986 392 G CA -0.346 44.839 45.100 0.141 0.000 0.643 392 G HN 0.736 nan 8.290 nan 0.000 0.522 393 G N -0.200 108.729 108.800 0.216 0.000 2.491 393 G HA2 0.467 4.427 3.960 -0.000 0.000 0.238 393 G HA3 0.467 4.427 3.960 -0.000 0.000 0.238 393 G C 0.126 175.132 174.900 0.176 0.000 1.277 393 G CA -0.068 45.140 45.100 0.179 0.000 0.851 393 G HN 0.665 nan 8.290 nan 0.000 0.573 394 I N 1.068 121.662 120.570 0.039 0.000 2.377 394 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 394 I C -0.857 175.143 176.117 -0.194 0.000 0.987 394 I CA -0.584 60.743 61.300 0.044 0.000 1.185 394 I CB 1.484 39.558 38.000 0.124 0.000 1.341 394 I HN 0.370 nan 8.210 nan 0.000 0.455 395 Y N 4.637 124.959 120.300 0.036 0.000 2.335 395 Y HA 0.408 4.958 4.550 -0.000 0.000 0.338 395 Y C -0.312 175.577 175.900 -0.018 0.000 0.977 395 Y CA -0.408 57.706 58.100 0.024 0.000 1.114 395 Y CB 1.668 40.189 38.460 0.101 0.000 1.182 395 Y HN 0.454 nan 8.280 nan 0.000 0.463 396 C N 5.982 125.276 119.300 -0.010 0.000 2.455 396 C HA 0.491 4.950 4.460 -0.000 0.000 0.321 396 C C 0.110 175.091 174.990 -0.014 0.000 1.102 396 C CA -1.363 57.649 59.018 -0.011 0.000 1.413 396 C CB -0.986 26.661 27.740 -0.154 0.000 1.952 396 C HN 0.761 nan 8.230 nan 0.000 0.428 397 L N 2.133 123.343 121.223 -0.021 0.000 2.490 397 L HA 0.449 4.789 4.340 -0.000 0.000 0.245 397 L C 1.059 177.943 176.870 0.023 0.000 1.185 397 L CA -0.389 54.389 54.840 -0.103 0.000 0.813 397 L CB 0.263 42.208 42.059 -0.189 0.000 1.233 397 L HN 0.702 nan 8.230 nan 0.000 0.489 398 R N -0.372 120.125 120.500 -0.006 0.000 3.405 398 R HA -0.244 4.096 4.340 -0.000 0.000 0.258 398 R C -0.637 175.736 176.300 0.123 0.000 1.030 398 R CA 0.535 56.663 56.100 0.046 0.000 0.691 398 R CB -1.981 28.356 30.300 0.062 0.000 1.093 398 R HN 0.556 nan 8.270 nan 0.000 0.448 399 H N -0.382 118.686 119.070 -0.003 0.000 3.177 399 H HA 0.304 4.860 4.556 -0.000 0.000 0.314 399 H C -0.286 174.996 175.328 -0.077 0.000 1.059 399 H CA -0.044 56.001 56.048 -0.005 0.000 1.515 399 H CB 0.817 30.608 29.762 0.047 0.000 1.672 399 H HN 0.283 nan 8.280 nan 0.000 0.514 400 S N 2.712 118.386 115.700 -0.043 0.000 2.707 400 S HA 0.639 5.108 4.470 -0.000 0.000 0.276 400 S C -0.433 174.146 174.600 -0.036 0.000 1.179 400 S CA -0.768 57.424 58.200 -0.014 0.000 0.992 400 S CB 2.025 65.215 63.200 -0.017 0.000 1.030 400 S HN 0.252 nan 8.310 nan 0.000 0.554 401 V N 1.743 121.632 119.914 -0.042 0.000 2.495 401 V HA 0.337 4.457 4.120 -0.000 0.000 0.298 401 V C 0.692 176.723 176.094 -0.105 0.000 1.031 401 V CA -0.565 61.694 62.300 -0.069 0.000 0.871 401 V CB 1.375 33.150 31.823 -0.079 0.000 0.988 401 V HN 1.018 nan 8.190 nan 0.000 0.432 402 Q N 1.946 121.644 119.800 -0.169 0.000 2.123 402 Q HA 0.097 4.437 4.340 -0.000 0.000 0.196 402 Q C 0.629 176.337 176.000 -0.486 0.000 0.958 402 Q CA 1.315 56.966 55.803 -0.253 0.000 0.841 402 Q CB 0.618 29.214 28.738 -0.236 0.000 0.915 402 Q HN 0.965 nan 8.270 nan 0.000 0.455 403 C N -2.540 116.420 119.300 -0.567 0.000 3.306 403 C HA 0.661 5.121 4.460 -0.000 0.000 0.335 403 C C -1.510 173.231 174.990 -0.414 0.000 1.382 403 C CA -1.486 57.157 59.018 -0.627 0.000 1.254 403 C CB 0.293 27.299 27.740 -1.224 0.000 1.555 403 C HN 0.088 nan 8.230 nan 0.000 0.463 404 L N 1.710 122.712 121.223 -0.367 0.000 2.334 404 L HA 0.730 5.069 4.340 -0.000 0.000 0.275 404 L C 0.016 176.709 176.870 -0.296 0.000 1.036 404 L CA -0.373 54.263 54.840 -0.341 0.000 0.807 404 L CB 1.775 43.621 42.059 -0.355 0.000 1.231 404 L HN 0.727 nan 8.230 nan 0.000 0.438 405 V N 3.771 123.528 119.914 -0.262 0.000 2.347 405 V HA 0.487 4.606 4.120 -0.000 0.000 0.280 405 V C -0.262 175.731 176.094 -0.168 0.000 1.021 405 V CA -0.709 61.494 62.300 -0.162 0.000 0.847 405 V CB 1.696 33.467 31.823 -0.086 0.000 0.990 405 V HN 0.426 nan 8.190 nan 0.000 0.444 406 V N 3.970 123.810 119.914 -0.124 0.000 2.459 406 V HA 0.326 4.445 4.120 -0.000 0.000 0.295 406 V C 0.213 176.273 176.094 -0.057 0.000 1.029 406 V CA -0.700 61.536 62.300 -0.108 0.000 0.874 406 V CB 1.906 33.665 31.823 -0.106 0.000 0.985 406 V HN 0.904 nan 8.190 nan 0.000 0.438 407 D N 3.814 124.187 120.400 -0.045 0.000 2.401 407 D HA 0.007 4.647 4.640 -0.000 0.000 0.254 407 D C 0.961 177.249 176.300 -0.020 0.000 1.192 407 D CA 0.084 54.071 54.000 -0.022 0.000 0.885 407 D CB 0.923 41.714 40.800 -0.015 0.000 1.147 407 D HN 0.579 nan 8.370 nan 0.000 0.478 408 K N 3.265 123.658 120.400 -0.011 0.000 2.147 408 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 408 K C 1.641 178.237 176.600 -0.007 0.000 1.049 408 K CA 0.980 57.262 56.287 -0.008 0.000 0.936 408 K CB 0.238 32.738 32.500 -0.000 0.000 0.722 408 K HN 0.539 nan 8.250 nan 0.000 0.446 409 E N -0.132 120.065 120.200 -0.005 0.000 2.011 409 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 409 E C 1.858 178.454 176.600 -0.006 0.000 0.979 409 E CA 1.341 57.738 56.400 -0.004 0.000 0.822 409 E CB -0.035 29.664 29.700 -0.001 0.000 0.782 409 E HN 0.318 nan 8.360 nan 0.000 0.459 410 S N -0.161 115.535 115.700 -0.007 0.000 2.442 410 S HA -0.127 4.342 4.470 -0.000 0.000 0.236 410 S C 0.979 175.571 174.600 -0.014 0.000 1.007 410 S CA 0.997 59.192 58.200 -0.008 0.000 0.965 410 S CB -0.096 63.101 63.200 -0.005 0.000 0.773 410 S HN 0.294 nan 8.310 nan 0.000 0.504 411 R N -0.408 120.080 120.500 -0.020 0.000 3.840 411 R HA -0.076 4.264 4.340 -0.000 0.000 0.464 411 R C -0.649 175.624 176.300 -0.044 0.000 0.986 411 R CA 1.342 57.424 56.100 -0.030 0.000 1.305 411 R CB -2.356 27.929 30.300 -0.024 0.000 1.950 411 R HN 0.586 nan 8.270 nan 0.000 0.526 412 K N 0.549 120.926 120.400 -0.037 0.000 2.144 412 K HA 0.310 4.630 4.320 -0.000 0.000 0.270 412 K C 0.423 176.981 176.600 -0.070 0.000 1.005 412 K CA -0.268 55.995 56.287 -0.041 0.000 0.932 412 K CB 1.619 34.114 32.500 -0.010 0.000 1.021 412 K HN 0.156 nan 8.250 nan 0.000 0.462 413 C N 3.123 122.353 119.300 -0.116 0.000 2.632 413 C HA 0.108 4.568 4.460 -0.000 0.000 0.415 413 C C 1.052 175.973 174.990 -0.115 0.000 1.332 413 C CA -0.070 58.782 59.018 -0.277 0.000 1.874 413 C CB -0.708 26.646 27.740 -0.642 0.000 2.596 413 C HN 0.830 nan 8.230 nan 0.000 0.590 414 K N 3.736 124.071 120.400 -0.108 0.000 2.313 414 K HA 0.487 4.807 4.320 -0.000 0.000 0.197 414 K C 0.459 177.189 176.600 0.216 0.000 1.061 414 K CA 0.740 57.069 56.287 0.070 0.000 0.980 414 K CB 0.253 32.768 32.500 0.025 0.000 0.888 414 K HN 0.756 nan 8.250 nan 0.000 0.502 415 A N 0.541 123.397 122.820 0.061 0.000 2.511 415 A HA 0.550 4.870 4.320 -0.000 0.000 0.293 415 A C -1.570 176.017 177.584 0.006 0.000 1.098 415 A CA -0.710 51.452 52.037 0.208 0.000 0.643 415 A CB 0.770 19.857 19.000 0.144 0.000 1.302 415 A HN -0.022 nan 8.150 nan 0.000 0.446 416 V N -1.779 118.205 119.914 0.117 0.000 3.046 416 V HA 0.892 5.012 4.120 -0.000 0.000 0.316 416 V C -0.667 175.429 176.094 0.003 0.000 1.104 416 V CA -0.840 61.462 62.300 0.003 0.000 1.006 416 V CB 1.700 33.558 31.823 0.057 0.000 1.058 416 V HN 0.787 nan 8.190 nan 0.000 0.440 417 I N 3.059 123.588 120.570 -0.068 0.000 2.410 417 I HA 0.417 4.587 4.170 -0.000 0.000 0.286 417 I C -0.539 175.552 176.117 -0.044 0.000 1.009 417 I CA -0.455 60.829 61.300 -0.027 0.000 1.111 417 I CB 1.594 39.573 38.000 -0.034 0.000 1.262 417 I HN 0.998 nan 8.210 nan 0.000 0.443 418 D N 4.601 125.019 120.400 0.030 0.000 2.447 418 D HA 0.003 4.643 4.640 -0.000 0.000 0.265 418 D C 1.000 177.216 176.300 -0.139 0.000 1.250 418 D CA -0.461 53.533 54.000 -0.010 0.000 1.046 418 D CB 0.516 41.424 40.800 0.179 0.000 1.095 418 D HN 0.640 nan 8.370 nan 0.000 0.555 419 Q N -1.025 118.539 119.800 -0.393 0.000 2.439 419 Q HA -0.084 4.256 4.340 -0.000 0.000 0.211 419 Q C 0.621 176.261 176.000 -0.600 0.000 0.978 419 Q CA 1.138 56.618 55.803 -0.538 0.000 0.897 419 Q CB -0.531 27.764 28.738 -0.738 0.000 0.956 419 Q HN 0.551 nan 8.270 nan 0.000 0.483 420 F N -0.092 119.831 119.950 -0.045 0.000 2.641 420 F HA 0.446 4.973 4.527 -0.000 0.000 0.302 420 F C 1.307 177.129 175.800 0.036 0.000 1.098 420 F CA -0.095 57.896 58.000 -0.015 0.000 1.318 420 F CB 0.996 39.973 39.000 -0.038 0.000 1.035 420 F HN 0.208 nan 8.300 nan 0.000 0.551 421 G N 1.092 109.975 108.800 0.138 0.000 2.155 421 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 421 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 421 G C 0.138 175.127 174.900 0.147 0.000 0.983 421 G CA 0.007 45.195 45.100 0.146 0.000 0.676 421 G HN 0.447 nan 8.290 nan 0.000 0.528 422 Q N -0.130 119.772 119.800 0.170 0.000 2.286 422 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 422 Q C 0.520 176.601 176.000 0.135 0.000 0.941 422 Q CA -0.747 55.154 55.803 0.162 0.000 0.912 422 Q CB 0.466 29.329 28.738 0.208 0.000 1.192 422 Q HN 0.424 nan 8.270 nan 0.000 0.410 423 R N 4.907 125.476 120.500 0.115 0.000 2.202 423 R HA 0.395 4.735 4.340 -0.000 0.000 0.334 423 R C -1.090 175.280 176.300 0.116 0.000 1.036 423 R CA -0.205 55.955 56.100 0.100 0.000 0.878 423 R CB 0.435 30.785 30.300 0.084 0.000 1.067 423 R HN 0.619 nan 8.270 nan 0.000 0.457 424 I N 6.241 126.892 120.570 0.135 0.000 2.406 424 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 424 I C 0.021 176.253 176.117 0.192 0.000 0.999 424 I CA -0.840 60.562 61.300 0.171 0.000 1.124 424 I CB 2.004 40.124 38.000 0.199 0.000 1.289 424 I HN 0.518 nan 8.210 nan 0.000 0.441 425 I N 4.485 125.155 120.570 0.166 0.000 2.532 425 I HA 0.374 4.543 4.170 -0.000 0.000 0.292 425 I C 0.425 176.615 176.117 0.123 0.000 1.014 425 I CA 0.277 61.670 61.300 0.155 0.000 1.340 425 I CB 1.586 39.637 38.000 0.085 0.000 1.422 425 I HN 0.564 nan 8.210 nan 0.000 0.528 426 S N 3.293 119.031 115.700 0.063 0.000 2.588 426 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 426 S C 0.018 174.452 174.600 -0.276 0.000 1.157 426 S CA -0.751 57.312 58.200 -0.229 0.000 0.824 426 S CB 1.722 64.497 63.200 -0.708 0.000 1.126 426 S HN 0.634 nan 8.310 nan 0.000 0.464 427 K N 0.438 120.619 120.400 -0.364 0.000 2.242 427 K HA 0.214 4.534 4.320 -0.000 0.000 0.200 427 K C 0.004 176.222 176.600 -0.638 0.000 1.050 427 K CA 0.444 56.457 56.287 -0.456 0.000 0.981 427 K CB 0.049 32.190 32.500 -0.599 0.000 0.795 427 K HN 0.569 nan 8.250 nan 0.000 0.477 428 H N -0.866 118.050 119.070 -0.256 0.000 2.768 428 H HA 0.318 4.874 4.556 -0.000 0.000 0.371 428 H C -1.183 173.906 175.328 -0.400 0.000 1.151 428 H CA -0.736 55.283 56.048 -0.049 0.000 1.165 428 H CB 1.375 31.165 29.762 0.047 0.000 1.722 428 H HN -0.136 nan 8.280 nan 0.000 0.543 429 F N 1.997 122.129 119.950 0.302 0.000 2.553 429 F HA 0.386 4.913 4.527 -0.000 0.000 0.335 429 F C 0.060 175.978 175.800 0.198 0.000 1.148 429 F CA -0.585 57.499 58.000 0.141 0.000 0.963 429 F CB 1.504 40.526 39.000 0.036 0.000 1.217 429 F HN 0.221 nan 8.300 nan 0.000 0.441 430 I N 5.294 125.995 120.570 0.217 0.000 2.321 430 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 430 I C -0.545 175.623 176.117 0.085 0.000 0.998 430 I CA -0.501 60.895 61.300 0.162 0.000 1.227 430 I CB 1.256 39.274 38.000 0.031 0.000 1.368 430 I HN 0.465 nan 8.210 nan 0.000 0.466 431 I N 5.459 126.082 120.570 0.089 0.000 2.466 431 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 431 I C 0.110 176.286 176.117 0.099 0.000 1.026 431 I CA -0.745 60.588 61.300 0.055 0.000 1.078 431 I CB 2.046 40.064 38.000 0.031 0.000 1.249 431 I HN 0.542 nan 8.210 nan 0.000 0.429 432 E N 6.120 126.427 120.200 0.178 0.000 2.338 432 E HA -0.056 4.294 4.350 -0.000 0.000 0.272 432 E C 0.642 177.395 176.600 0.256 0.000 1.029 432 E CA 0.157 56.707 56.400 0.251 0.000 0.872 432 E CB 1.071 30.985 29.700 0.356 0.000 1.015 432 E HN 0.757 nan 8.360 nan 0.000 0.417 433 D N 3.145 123.662 120.400 0.194 0.000 2.170 433 D HA -0.261 4.379 4.640 -0.000 0.000 0.193 433 D C 1.322 177.728 176.300 0.176 0.000 1.004 433 D CA 2.082 56.195 54.000 0.187 0.000 0.860 433 D CB 0.177 41.149 40.800 0.288 0.000 0.931 433 D HN 0.452 nan 8.370 nan 0.000 0.448 434 S N -1.155 114.616 115.700 0.119 0.000 2.469 434 S HA -0.170 4.299 4.470 -0.000 0.000 0.238 434 S C 1.813 176.361 174.600 -0.087 0.000 0.998 434 S CA 0.520 58.708 58.200 -0.021 0.000 0.957 434 S CB -0.815 62.322 63.200 -0.105 0.000 0.764 434 S HN 0.425 nan 8.310 nan 0.000 0.514 435 Y N 1.262 121.602 120.300 0.067 0.000 2.511 435 Y HA 0.447 4.997 4.550 -0.000 0.000 0.279 435 Y C 0.856 176.774 175.900 0.028 0.000 1.157 435 Y CA -0.423 57.702 58.100 0.042 0.000 1.300 435 Y CB -0.013 38.467 38.460 0.033 0.000 1.052 435 Y HN 0.199 nan 8.280 nan 0.000 0.529 436 L N 0.600 121.925 121.223 0.169 0.000 2.371 436 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 436 L C 0.863 177.805 176.870 0.119 0.000 1.124 436 L CA -0.694 54.216 54.840 0.118 0.000 0.816 436 L CB 0.802 42.920 42.059 0.098 0.000 1.129 436 L HN 0.075 nan 8.230 nan 0.000 0.448 437 S N 0.830 116.587 115.700 0.094 0.000 2.589 437 S HA 0.041 4.510 4.470 -0.000 0.000 0.265 437 S C 0.777 175.444 174.600 0.112 0.000 1.342 437 S CA -0.515 57.739 58.200 0.089 0.000 1.005 437 S CB 1.023 64.264 63.200 0.069 0.000 0.909 437 S HN 0.646 nan 8.310 nan 0.000 0.555 438 E N 0.905 121.162 120.200 0.096 0.000 2.204 438 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 438 E C 1.825 178.481 176.600 0.093 0.000 0.990 438 E CA 1.197 57.658 56.400 0.102 0.000 0.821 438 E CB -0.287 29.460 29.700 0.078 0.000 0.750 438 E HN 0.748 nan 8.360 nan 0.000 0.477 439 N N -0.421 118.327 118.700 0.080 0.000 2.106 439 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 439 N C 1.480 177.038 175.510 0.080 0.000 1.029 439 N CA 1.724 54.814 53.050 0.068 0.000 0.848 439 N CB -0.277 38.246 38.487 0.060 0.000 1.007 439 N HN 0.012 nan 8.380 nan 0.000 0.423 440 T N -0.864 113.749 114.554 0.098 0.000 2.803 440 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 440 T C 1.428 176.245 174.700 0.194 0.000 1.052 440 T CA 1.190 63.367 62.100 0.129 0.000 1.136 440 T CB -0.384 68.560 68.868 0.126 0.000 0.864 440 T HN 0.382 nan 8.240 nan 0.000 0.467 441 C N 2.119 121.534 119.300 0.191 0.000 2.688 441 C HA 0.244 4.704 4.460 -0.000 0.000 0.297 441 C C 2.699 177.716 174.990 0.045 0.000 1.308 441 C CA -0.390 58.730 59.018 0.169 0.000 1.726 441 C CB -1.647 26.274 27.740 0.302 0.000 1.982 441 C HN 0.692 nan 8.230 nan 0.000 0.604 442 S N 1.646 117.371 115.700 0.041 0.000 2.420 442 S HA -0.190 4.280 4.470 -0.000 0.000 0.237 442 S C 1.651 176.231 174.600 -0.033 0.000 1.023 442 S CA 1.198 59.407 58.200 0.015 0.000 0.991 442 S CB -0.334 62.879 63.200 0.022 0.000 0.792 442 S HN 0.749 nan 8.310 nan 0.000 0.488 443 R N 0.312 120.766 120.500 -0.077 0.000 2.334 443 R HA 0.321 4.660 4.340 -0.000 0.000 0.212 443 R C -0.297 175.883 176.300 -0.200 0.000 0.897 443 R CA -0.050 55.984 56.100 -0.110 0.000 1.056 443 R CB 0.283 30.526 30.300 -0.095 0.000 1.046 443 R HN 0.270 nan 8.270 nan 0.000 0.513 444 V N 2.494 122.224 119.914 -0.308 0.000 2.655 444 V HA -0.021 4.099 4.120 -0.000 0.000 0.300 444 V C 0.287 176.076 176.094 -0.508 0.000 1.044 444 V CA 0.397 62.382 62.300 -0.525 0.000 1.095 444 V CB 1.105 32.425 31.823 -0.839 0.000 0.952 444 V HN 0.226 nan 8.190 nan 0.000 0.485 445 Q N 4.007 123.551 119.800 -0.427 0.000 2.372 445 Q HA 0.447 4.787 4.340 -0.000 0.000 0.259 445 Q C -1.281 174.563 176.000 -0.260 0.000 0.993 445 Q CA -0.273 55.375 55.803 -0.259 0.000 0.854 445 Q CB 1.428 30.091 28.738 -0.126 0.000 1.231 445 Q HN 0.712 nan 8.270 nan 0.000 0.462 446 Y N 0.644 120.945 120.300 0.001 0.000 2.374 446 Y HA 0.435 4.985 4.550 -0.000 0.000 0.322 446 Y C 0.780 176.692 175.900 0.020 0.000 1.275 446 Y CA -0.668 57.442 58.100 0.017 0.000 1.307 446 Y CB 1.135 39.614 38.460 0.031 0.000 1.282 446 Y HN 0.378 nan 8.280 nan 0.000 0.509 447 R N 0.278 120.903 120.500 0.209 0.000 2.893 447 R HA 0.487 4.827 4.340 -0.000 0.000 0.245 447 R C -1.030 175.328 176.300 0.096 0.000 1.192 447 R CA -1.110 55.055 56.100 0.108 0.000 1.077 447 R CB 1.216 31.548 30.300 0.053 0.000 1.253 447 R HN 0.529 nan 8.270 nan 0.000 0.505 448 Q N 0.632 120.461 119.800 0.049 0.000 2.423 448 Q HA 0.479 4.819 4.340 -0.000 0.000 0.278 448 Q C -0.988 175.007 176.000 -0.008 0.000 1.097 448 Q CA -0.609 55.216 55.803 0.037 0.000 0.809 448 Q CB 2.841 31.621 28.738 0.069 0.000 1.391 448 Q HN 0.476 nan 8.270 nan 0.000 0.428 449 I N 0.779 121.341 120.570 -0.014 0.000 2.433 449 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 449 I C -0.114 175.970 176.117 -0.056 0.000 1.001 449 I CA -0.516 60.753 61.300 -0.051 0.000 1.119 449 I CB 1.999 39.959 38.000 -0.066 0.000 1.289 449 I HN 0.286 nan 8.210 nan 0.000 0.438 450 S N 6.243 121.910 115.700 -0.055 0.000 2.475 450 S HA 0.533 5.002 4.470 -0.000 0.000 0.281 450 S C -0.291 174.226 174.600 -0.139 0.000 1.198 450 S CA -0.715 57.450 58.200 -0.058 0.000 1.063 450 S CB 0.635 63.844 63.200 0.015 0.000 0.972 450 S HN 0.393 nan 8.310 nan 0.000 0.486 451 R N 1.379 121.696 120.500 -0.306 0.000 2.750 451 R HA 0.816 5.156 4.340 -0.000 0.000 0.281 451 R C -1.009 175.096 176.300 -0.325 0.000 0.972 451 R CA -0.747 55.092 56.100 -0.436 0.000 0.912 451 R CB 2.029 31.743 30.300 -0.977 0.000 1.187 451 R HN 0.651 nan 8.270 nan 0.000 0.464 452 A N 1.349 124.062 122.820 -0.179 0.000 2.486 452 A HA 0.654 4.974 4.320 -0.000 0.000 0.300 452 A C -1.289 176.223 177.584 -0.121 0.000 1.048 452 A CA -0.597 51.315 52.037 -0.209 0.000 0.696 452 A CB 1.942 20.804 19.000 -0.230 0.000 1.278 452 A HN 0.313 nan 8.150 nan 0.000 0.405 453 V N 2.849 122.686 119.914 -0.128 0.000 2.483 453 V HA 0.520 4.640 4.120 -0.000 0.000 0.297 453 V C -0.634 175.419 176.094 -0.069 0.000 1.027 453 V CA -0.239 62.015 62.300 -0.076 0.000 0.855 453 V CB 1.204 33.103 31.823 0.128 0.000 0.995 453 V HN 0.748 nan 8.190 nan 0.000 0.424 454 L N 5.578 126.743 121.223 -0.095 0.000 2.346 454 L HA 0.671 5.011 4.340 -0.000 0.000 0.274 454 L C -0.694 176.201 176.870 0.041 0.000 1.007 454 L CA -0.640 54.163 54.840 -0.062 0.000 0.818 454 L CB 2.330 44.236 42.059 -0.254 0.000 1.284 454 L HN 0.430 nan 8.230 nan 0.000 0.424 455 I N 2.269 122.933 120.570 0.157 0.000 2.330 455 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 455 I C 0.251 176.417 176.117 0.081 0.000 1.001 455 I CA -0.114 61.299 61.300 0.188 0.000 1.193 455 I CB 1.755 39.894 38.000 0.232 0.000 1.345 455 I HN 0.722 nan 8.210 nan 0.000 0.461 456 T N 0.240 114.831 114.554 0.061 0.000 2.926 456 T HA 0.357 4.707 4.350 -0.000 0.000 0.289 456 T C 0.056 174.857 174.700 0.169 0.000 1.054 456 T CA -0.703 61.408 62.100 0.019 0.000 1.015 456 T CB 2.127 70.919 68.868 -0.126 0.000 1.167 456 T HN 0.612 nan 8.240 nan 0.000 0.526 457 D N -1.284 119.222 120.400 0.177 0.000 2.440 457 D HA 0.344 4.984 4.640 -0.000 0.000 0.216 457 D C 0.551 177.002 176.300 0.252 0.000 1.150 457 D CA -0.301 53.821 54.000 0.203 0.000 0.832 457 D CB 0.037 40.924 40.800 0.144 0.000 0.992 457 D HN 0.993 nan 8.370 nan 0.000 0.502 458 G N -0.789 108.165 108.800 0.256 0.000 2.632 458 G HA2 0.373 4.333 3.960 -0.000 0.000 0.292 458 G HA3 0.373 4.333 3.960 -0.000 0.000 0.292 458 G C -1.366 173.399 174.900 -0.224 0.000 1.465 458 G CA -0.623 44.562 45.100 0.141 0.000 0.824 458 G HN 0.070 nan 8.290 nan 0.000 0.509 459 S N -1.194 114.212 115.700 -0.490 0.000 2.593 459 S HA 0.250 4.720 4.470 -0.000 0.000 0.269 459 S C 1.890 176.336 174.600 -0.257 0.000 1.334 459 S CA 0.095 57.914 58.200 -0.636 0.000 1.015 459 S CB 1.137 64.050 63.200 -0.477 0.000 0.912 459 S HN 1.614 nan 8.310 nan 0.000 0.541 460 V N 2.149 121.927 119.914 -0.227 0.000 2.970 460 V HA 0.274 4.393 4.120 -0.000 0.000 0.260 460 V C 0.472 176.461 176.094 -0.176 0.000 1.100 460 V CA 0.767 62.936 62.300 -0.218 0.000 1.122 460 V CB -0.805 30.874 31.823 -0.240 0.000 0.721 460 V HN 0.561 nan 8.190 nan 0.000 0.483 461 L N 3.235 124.371 121.223 -0.145 0.000 2.442 461 L HA 0.546 4.885 4.340 -0.000 0.000 0.261 461 L C -0.053 176.777 176.870 -0.067 0.000 1.000 461 L CA -1.137 53.645 54.840 -0.096 0.000 0.882 461 L CB 1.168 43.178 42.059 -0.081 0.000 1.207 461 L HN 0.415 nan 8.230 nan 0.000 0.443 462 R N 2.297 122.768 120.500 -0.048 0.000 2.537 462 R HA 0.645 4.985 4.340 -0.000 0.000 0.280 462 R C -0.686 175.615 176.300 0.001 0.000 1.058 462 R CA 0.159 56.249 56.100 -0.017 0.000 1.057 462 R CB -0.253 30.045 30.300 -0.004 0.000 0.973 462 R HN 0.675 nan 8.270 nan 0.000 0.438 463 T N -2.262 112.304 114.554 0.019 0.000 2.762 463 T HA 0.186 4.536 4.350 -0.000 0.000 0.301 463 T C 0.616 175.336 174.700 0.033 0.000 1.299 463 T CA -0.370 61.745 62.100 0.023 0.000 1.005 463 T CB 1.456 70.338 68.868 0.023 0.000 1.377 463 T HN 0.505 nan 8.240 nan 0.000 0.504 464 D N 1.475 121.892 120.400 0.028 0.000 2.078 464 D HA -0.058 4.582 4.640 -0.000 0.000 0.193 464 D C 1.173 177.493 176.300 0.034 0.000 0.990 464 D CA 0.974 54.991 54.000 0.028 0.000 0.827 464 D CB -0.892 39.921 40.800 0.022 0.000 0.975 464 D HN 0.853 nan 8.370 nan 0.000 0.451 465 A N 1.886 124.727 122.820 0.034 0.000 2.438 465 A HA 0.091 4.410 4.320 -0.000 0.000 0.280 465 A C 1.022 178.641 177.584 0.058 0.000 1.160 465 A CA -0.171 51.889 52.037 0.038 0.000 0.821 465 A CB 0.073 19.092 19.000 0.032 0.000 1.101 465 A HN 0.365 nan 8.150 nan 0.000 0.515 466 D N 2.248 122.688 120.400 0.068 0.000 2.240 466 D HA -0.094 4.546 4.640 -0.000 0.000 0.206 466 D C -0.056 176.325 176.300 0.136 0.000 0.963 466 D CA 0.366 54.441 54.000 0.125 0.000 0.863 466 D CB -0.043 40.827 40.800 0.116 0.000 0.973 466 D HN 0.533 nan 8.370 nan 0.000 0.501 467 Q N 1.618 121.449 119.800 0.051 0.000 3.151 467 Q HA 0.111 4.451 4.340 -0.000 0.000 0.277 467 Q C -0.137 175.896 176.000 0.055 0.000 1.343 467 Q CA 0.482 56.297 55.803 0.021 0.000 0.925 467 Q CB -0.057 28.670 28.738 -0.018 0.000 1.771 467 Q HN 0.393 nan 8.270 nan 0.000 0.514 468 Q N 0.308 120.176 119.800 0.114 0.000 2.245 468 Q HA 0.465 4.805 4.340 -0.000 0.000 0.256 468 Q C -0.440 175.615 176.000 0.092 0.000 0.942 468 Q CA -0.671 55.186 55.803 0.091 0.000 0.896 468 Q CB 2.461 31.249 28.738 0.084 0.000 1.272 468 Q HN 0.067 nan 8.270 nan 0.000 0.442 469 V N 1.837 121.781 119.914 0.051 0.000 2.378 469 V HA 0.502 4.622 4.120 -0.000 0.000 0.288 469 V C -0.391 175.714 176.094 0.018 0.000 1.016 469 V CA -0.435 61.874 62.300 0.016 0.000 0.840 469 V CB 1.462 33.277 31.823 -0.013 0.000 0.994 469 V HN 0.720 nan 8.190 nan 0.000 0.431 470 S N 4.903 120.605 115.700 0.003 0.000 2.599 470 S HA 0.787 5.257 4.470 -0.000 0.000 0.287 470 S C -0.683 173.908 174.600 -0.015 0.000 1.105 470 S CA -0.631 57.572 58.200 0.006 0.000 0.899 470 S CB 2.583 65.782 63.200 -0.001 0.000 1.100 470 S HN 0.708 nan 8.310 nan 0.000 0.482 471 I N 2.190 122.758 120.570 -0.004 0.000 2.447 471 I HA 0.630 4.800 4.170 -0.000 0.000 0.287 471 I C -1.819 174.302 176.117 0.007 0.000 1.023 471 I CA -1.062 60.223 61.300 -0.024 0.000 1.083 471 I CB 1.144 39.089 38.000 -0.092 0.000 1.245 471 I HN 0.586 nan 8.210 nan 0.000 0.434 472 L N 8.006 129.226 121.223 -0.006 0.000 2.341 472 L HA 0.679 5.019 4.340 -0.000 0.000 0.278 472 L C -0.417 176.465 176.870 0.020 0.000 1.005 472 L CA 0.126 54.954 54.840 -0.021 0.000 0.818 472 L CB 1.956 43.957 42.059 -0.097 0.000 1.259 472 L HN 0.717 nan 8.230 nan 0.000 0.418 473 T N 1.913 116.499 114.554 0.054 0.000 2.829 473 T HA 0.726 5.076 4.350 -0.000 0.000 0.282 473 T C -0.489 174.274 174.700 0.104 0.000 0.990 473 T CA -0.719 61.432 62.100 0.084 0.000 1.028 473 T CB 1.463 70.400 68.868 0.114 0.000 0.951 473 T HN 0.409 nan 8.240 nan 0.000 0.460 474 V N 4.638 124.619 119.914 0.111 0.000 2.357 474 V HA 0.361 4.481 4.120 -0.000 0.000 0.281 474 V C -2.426 173.698 176.094 0.051 0.000 1.015 474 V CA -1.921 60.472 62.300 0.155 0.000 0.827 474 V CB 0.958 32.908 31.823 0.212 0.000 1.018 474 V HN 0.790 nan 8.190 nan 0.000 0.432 475 P HA 0.195 nan 4.420 nan 0.000 0.269 475 P C 0.032 177.294 177.300 -0.064 0.000 1.215 475 P CA 0.072 63.060 63.100 -0.187 0.000 0.780 475 P CB 0.590 31.955 31.700 -0.558 0.000 0.898 476 A N 2.241 125.039 122.820 -0.037 0.000 2.531 476 A HA -0.026 4.294 4.320 -0.000 0.000 0.236 476 A C 1.313 178.878 177.584 -0.033 0.000 1.062 476 A CA 0.220 52.245 52.037 -0.019 0.000 0.760 476 A CB -0.296 18.688 19.000 -0.027 0.000 0.995 476 A HN 0.634 nan 8.150 nan 0.000 0.501 477 E N 0.955 121.135 120.200 -0.034 0.000 2.046 477 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 477 E C 0.073 176.651 176.600 -0.036 0.000 0.982 477 E CA 1.002 57.377 56.400 -0.041 0.000 0.800 477 E CB 0.139 29.808 29.700 -0.053 0.000 0.756 477 E HN 0.823 nan 8.360 nan 0.000 0.449 478 E N 0.777 120.952 120.200 -0.040 0.000 2.288 478 E HA 0.269 4.619 4.350 -0.000 0.000 0.268 478 E C -2.525 174.042 176.600 -0.055 0.000 0.885 478 E CA -2.246 54.129 56.400 -0.042 0.000 0.767 478 E CB 1.852 31.527 29.700 -0.042 0.000 1.220 478 E HN -0.019 nan 8.360 nan 0.000 0.427 479 P HA -0.001 nan 4.420 nan 0.000 0.267 479 P C 0.564 177.803 177.300 -0.102 0.000 1.200 479 P CA 0.598 63.653 63.100 -0.075 0.000 0.772 479 P CB 0.747 32.416 31.700 -0.052 0.000 0.855 480 G N 0.806 109.508 108.800 -0.163 0.000 2.307 480 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.210 480 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.210 480 G C 0.173 174.909 174.900 -0.272 0.000 1.005 480 G CA 0.251 45.242 45.100 -0.181 0.000 0.634 480 G HN 0.923 nan 8.290 nan 0.000 0.496 481 S N 0.018 115.565 115.700 -0.254 0.000 2.704 481 S HA 0.866 5.336 4.470 -0.000 0.000 0.305 481 S C -0.387 174.008 174.600 -0.342 0.000 1.107 481 S CA -0.909 57.146 58.200 -0.242 0.000 0.993 481 S CB 2.025 65.186 63.200 -0.065 0.000 1.110 481 S HN 0.382 nan 8.310 nan 0.000 0.534 482 F N 0.559 120.523 119.950 0.023 0.000 2.408 482 F HA 0.687 5.213 4.527 -0.000 0.000 0.325 482 F C 1.044 176.863 175.800 0.031 0.000 1.082 482 F CA -0.699 57.320 58.000 0.032 0.000 1.032 482 F CB 0.925 39.947 39.000 0.036 0.000 1.259 482 F HN 0.862 nan 8.300 nan 0.000 0.503 483 A N 1.010 123.984 122.820 0.256 0.000 2.445 483 A HA 0.505 4.824 4.320 -0.000 0.000 0.242 483 A C -0.620 177.049 177.584 0.143 0.000 1.075 483 A CA -0.350 51.776 52.037 0.149 0.000 0.777 483 A CB 0.097 19.181 19.000 0.141 0.000 1.013 483 A HN 0.516 nan 8.150 nan 0.000 0.493 484 V N 3.325 123.304 119.914 0.108 0.000 2.513 484 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 484 V C 0.354 176.503 176.094 0.091 0.000 1.035 484 V CA -0.539 61.822 62.300 0.102 0.000 0.889 484 V CB 1.494 33.381 31.823 0.106 0.000 0.988 484 V HN 0.949 nan 8.190 nan 0.000 0.440 485 R N 2.797 123.343 120.500 0.077 0.000 2.460 485 R HA 0.766 5.106 4.340 -0.000 0.000 0.303 485 R C -1.474 174.866 176.300 0.067 0.000 0.968 485 R CA -0.614 55.523 56.100 0.061 0.000 0.889 485 R CB 2.118 32.442 30.300 0.039 0.000 1.123 485 R HN 0.503 nan 8.270 nan 0.000 0.455 486 V N 5.269 125.218 119.914 0.058 0.000 2.443 486 V HA 0.418 4.537 4.120 -0.000 0.000 0.293 486 V C -0.279 175.843 176.094 0.046 0.000 1.021 486 V CA -0.608 61.736 62.300 0.073 0.000 0.848 486 V CB 1.723 33.594 31.823 0.080 0.000 0.998 486 V HN 0.648 nan 8.190 nan 0.000 0.424 487 I N 3.855 124.466 120.570 0.067 0.000 2.362 487 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 487 I C 0.002 176.152 176.117 0.055 0.000 0.994 487 I CA -0.333 60.984 61.300 0.027 0.000 1.158 487 I CB 1.921 39.922 38.000 0.002 0.000 1.315 487 I HN 0.660 nan 8.210 nan 0.000 0.451 488 E N 7.702 127.913 120.200 0.018 0.000 2.113 488 E HA 0.498 4.847 4.350 -0.000 0.000 0.273 488 E C -1.472 175.145 176.600 0.027 0.000 0.924 488 E CA -0.586 55.844 56.400 0.051 0.000 0.764 488 E CB 1.062 30.781 29.700 0.032 0.000 1.104 488 E HN 0.514 nan 8.360 nan 0.000 0.406 489 L N 5.106 126.353 121.223 0.039 0.000 2.307 489 L HA 0.468 4.808 4.340 -0.000 0.000 0.284 489 L C 0.180 177.078 176.870 0.046 0.000 1.023 489 L CA -1.176 53.624 54.840 -0.066 0.000 0.810 489 L CB 1.011 42.963 42.059 -0.179 0.000 1.231 489 L HN 0.702 nan 8.230 nan 0.000 0.423 490 C N -0.089 119.194 119.300 -0.029 0.000 2.347 490 C HA 0.395 4.855 4.460 -0.000 0.000 0.366 490 C C 1.987 176.825 174.990 -0.252 0.000 1.241 490 C CA -0.199 58.690 59.018 -0.214 0.000 2.360 490 C CB 1.156 28.819 27.740 -0.129 0.000 2.290 490 C HN 0.961 nan 8.230 nan 0.000 0.587 491 S N 0.869 116.359 115.700 -0.350 0.000 2.442 491 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 491 S C 1.546 176.018 174.600 -0.213 0.000 1.007 491 S CA 1.499 59.528 58.200 -0.284 0.000 0.965 491 S CB -1.061 61.960 63.200 -0.298 0.000 0.773 491 S HN 1.285 nan 8.310 nan 0.000 0.504 492 S N 1.662 117.257 115.700 -0.175 0.000 2.555 492 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 492 S C 1.719 176.235 174.600 -0.140 0.000 0.978 492 S CA 0.906 59.022 58.200 -0.139 0.000 0.934 492 S CB -1.233 61.911 63.200 -0.094 0.000 0.766 492 S HN 0.810 nan 8.310 nan 0.000 0.533 493 T N -1.055 113.423 114.554 -0.128 0.000 3.148 493 T HA 0.203 4.553 4.350 -0.000 0.000 0.253 493 T C 0.825 175.423 174.700 -0.170 0.000 1.134 493 T CA 0.140 62.195 62.100 -0.075 0.000 1.051 493 T CB -0.603 68.255 68.868 -0.016 0.000 0.959 493 T HN 0.254 nan 8.240 nan 0.000 0.525 494 M N 1.560 121.012 119.600 -0.248 0.000 2.653 494 M HA -0.151 4.329 4.480 -0.000 0.000 0.203 494 M C 0.861 177.066 176.300 -0.158 0.000 0.502 494 M CA 1.404 56.507 55.300 -0.328 0.000 0.601 494 M CB -3.412 28.685 32.600 -0.839 0.000 2.228 494 M HN 0.736 nan 8.290 nan 0.000 0.711 495 T N -3.304 111.194 114.554 -0.094 0.000 3.003 495 T HA 0.411 4.761 4.350 -0.000 0.000 0.261 495 T C 0.632 175.263 174.700 -0.116 0.000 1.003 495 T CA 0.482 62.591 62.100 0.015 0.000 0.917 495 T CB 0.322 69.280 68.868 0.151 0.000 1.084 495 T HN 0.850 nan 8.240 nan 0.000 0.522 496 C N 1.375 120.452 119.300 -0.372 0.000 3.239 496 C HA 0.845 5.305 4.460 -0.000 0.000 0.317 496 C C -0.008 174.478 174.990 -0.840 0.000 1.310 496 C CA -1.756 56.715 59.018 -0.913 0.000 1.371 496 C CB 1.046 28.506 27.740 -0.467 0.000 1.714 496 C HN 0.683 nan 8.230 nan 0.000 0.473 497 M N 1.280 120.213 119.600 -1.112 0.000 2.240 497 M HA 0.586 5.066 4.480 -0.000 0.000 0.333 497 M C 0.334 176.444 176.300 -0.316 0.000 1.110 497 M CA 0.201 55.191 55.300 -0.517 0.000 1.173 497 M CB 0.042 32.457 32.600 -0.309 0.000 1.458 497 M HN 1.072 nan 8.290 nan 0.000 0.458 498 K N 1.564 121.834 120.400 -0.215 0.000 2.524 498 K HA 0.399 4.718 4.320 -0.000 0.000 0.279 498 K C 1.091 177.614 176.600 -0.129 0.000 0.993 498 K CA 0.464 56.649 56.287 -0.169 0.000 1.030 498 K CB -1.051 31.378 32.500 -0.118 0.000 0.891 498 K HN 1.386 nan 8.250 nan 0.000 0.488 499 G N 0.252 108.977 108.800 -0.126 0.000 2.213 499 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.236 499 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.236 499 G C 0.580 175.463 174.900 -0.028 0.000 0.991 499 G CA 1.267 46.334 45.100 -0.055 0.000 0.629 499 G HN 2.029 nan 8.290 nan 0.000 0.517 500 T N -2.282 112.212 114.554 -0.100 0.000 2.888 500 T HA 0.780 5.130 4.350 -0.000 0.000 0.288 500 T C -0.803 173.807 174.700 -0.149 0.000 1.063 500 T CA -0.907 61.190 62.100 -0.004 0.000 1.010 500 T CB 2.703 71.618 68.868 0.078 0.000 1.214 500 T HN 0.524 nan 8.240 nan 0.000 0.533 501 Y N -0.622 119.689 120.300 0.018 0.000 2.545 501 Y HA 0.712 5.262 4.550 -0.000 0.000 0.348 501 Y C -0.766 175.151 175.900 0.027 0.000 1.002 501 Y CA -1.382 56.722 58.100 0.007 0.000 1.039 501 Y CB 2.057 40.534 38.460 0.028 0.000 1.271 501 Y HN 0.681 nan 8.280 nan 0.000 0.467 502 L N 3.020 124.346 121.223 0.172 0.000 2.287 502 L HA 0.737 5.076 4.340 -0.000 0.000 0.287 502 L C -1.352 175.538 176.870 0.034 0.000 1.022 502 L CA -0.638 54.265 54.840 0.105 0.000 0.814 502 L CB 1.046 43.177 42.059 0.119 0.000 1.217 502 L HN 0.416 nan 8.230 nan 0.000 0.420 503 V N 4.864 124.744 119.914 -0.057 0.000 2.448 503 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 503 V C -0.417 175.589 176.094 -0.147 0.000 1.025 503 V CA -0.703 61.575 62.300 -0.036 0.000 0.859 503 V CB 1.304 33.133 31.823 0.011 0.000 0.988 503 V HN 0.627 nan 8.190 nan 0.000 0.431 504 H N 5.050 124.153 119.070 0.055 0.000 2.476 504 H HA 0.594 5.150 4.556 -0.000 0.000 0.328 504 H C -1.082 174.267 175.328 0.036 0.000 1.073 504 H CA -0.509 55.566 56.048 0.046 0.000 1.229 504 H CB 2.187 31.982 29.762 0.054 0.000 1.432 504 H HN 0.356 nan 8.280 nan 0.000 0.477 505 L N 2.555 123.851 121.223 0.122 0.000 2.346 505 L HA 0.413 4.753 4.340 -0.000 0.000 0.276 505 L C 0.214 177.117 176.870 0.054 0.000 1.006 505 L CA -0.242 54.653 54.840 0.092 0.000 0.817 505 L CB 2.139 44.254 42.059 0.093 0.000 1.272 505 L HN 0.603 nan 8.230 nan 0.000 0.421 506 T N 0.822 115.404 114.554 0.048 0.000 2.956 506 T HA 0.685 5.035 4.350 -0.000 0.000 0.312 506 T C -1.211 173.504 174.700 0.026 0.000 1.151 506 T CA -0.730 61.377 62.100 0.012 0.000 1.024 506 T CB 1.649 70.518 68.868 0.001 0.000 1.140 506 T HN 0.864 nan 8.240 nan 0.000 0.473 507 C N 2.263 121.566 119.300 0.006 0.000 3.302 507 C HA 0.696 5.155 4.460 -0.000 0.000 0.347 507 C C -0.526 174.433 174.990 -0.051 0.000 1.218 507 C CA -1.252 57.777 59.018 0.018 0.000 1.234 507 C CB 0.011 27.808 27.740 0.094 0.000 1.551 507 C HN 1.001 nan 8.230 nan 0.000 0.501 508 M N 3.427 122.916 119.600 -0.184 0.000 2.251 508 M HA 0.199 4.679 4.480 -0.000 0.000 0.343 508 M C 0.812 177.012 176.300 -0.167 0.000 1.245 508 M CA 0.965 56.026 55.300 -0.398 0.000 1.061 508 M CB 0.613 32.565 32.600 -1.081 0.000 1.723 508 M HN 0.851 nan 8.290 nan 0.000 0.449 509 S N 1.599 117.261 115.700 -0.062 0.000 2.580 509 S HA 0.170 4.640 4.470 -0.000 0.000 0.274 509 S C 0.674 175.402 174.600 0.213 0.000 1.329 509 S CA -0.759 57.491 58.200 0.083 0.000 1.036 509 S CB 1.424 64.661 63.200 0.062 0.000 0.919 509 S HN 0.738 nan 8.310 nan 0.000 0.515 510 S N 1.834 117.655 115.700 0.201 0.000 2.811 510 S HA 0.225 4.694 4.470 -0.000 0.000 0.237 510 S C 0.726 175.377 174.600 0.085 0.000 1.038 510 S CA 0.162 58.466 58.200 0.173 0.000 0.881 510 S CB 0.204 63.477 63.200 0.121 0.000 0.815 510 S HN 0.571 nan 8.310 nan 0.000 0.582 511 K N 0.649 121.076 120.400 0.045 0.000 1.828 511 K HA 0.382 4.701 4.320 -0.000 0.000 0.268 511 K C -0.117 176.457 176.600 -0.044 0.000 0.973 511 K CA -0.368 55.913 56.287 -0.010 0.000 1.093 511 K CB -0.412 32.067 32.500 -0.036 0.000 2.798 511 K HN 0.306 nan 8.250 nan 0.000 1.015 512 T N -1.165 113.309 114.554 -0.133 0.000 2.860 512 T HA 0.223 4.572 4.350 -0.000 0.000 0.299 512 T C 1.217 175.893 174.700 -0.039 0.000 1.045 512 T CA -0.061 61.934 62.100 -0.176 0.000 1.071 512 T CB 1.199 69.887 68.868 -0.300 0.000 0.985 512 T HN 0.528 nan 8.240 nan 0.000 0.537 513 A N 1.359 124.201 122.820 0.036 0.000 1.902 513 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 513 A C 2.488 180.108 177.584 0.060 0.000 1.181 513 A CA 1.761 53.847 52.037 0.082 0.000 0.623 513 A CB -0.850 18.228 19.000 0.130 0.000 0.818 513 A HN 0.966 nan 8.150 nan 0.000 0.443 514 R N -0.166 120.286 120.500 -0.080 0.000 2.081 514 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 514 R C 1.984 178.117 176.300 -0.279 0.000 1.131 514 R CA 1.735 57.531 56.100 -0.507 0.000 0.960 514 R CB -0.302 29.616 30.300 -0.636 0.000 0.856 514 R HN 0.676 nan 8.270 nan 0.000 0.436 515 E N 0.101 120.206 120.200 -0.159 0.000 2.110 515 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 515 E C 1.354 177.920 176.600 -0.056 0.000 0.988 515 E CA 1.431 57.767 56.400 -0.107 0.000 0.804 515 E CB 0.016 29.663 29.700 -0.088 0.000 0.745 515 E HN 0.421 nan 8.360 nan 0.000 0.458 516 D N -0.250 120.139 120.400 -0.018 0.000 2.277 516 D HA -0.030 4.609 4.640 -0.000 0.000 0.208 516 D C 1.625 177.955 176.300 0.050 0.000 0.962 516 D CA 0.784 54.801 54.000 0.028 0.000 0.865 516 D CB 0.309 41.148 40.800 0.064 0.000 0.939 516 D HN 0.202 nan 8.370 nan 0.000 0.510 517 L N -0.435 120.824 121.223 0.061 0.000 2.717 517 L HA 0.180 4.520 4.340 -0.000 0.000 0.239 517 L C 2.079 179.044 176.870 0.157 0.000 1.086 517 L CA -0.013 54.913 54.840 0.143 0.000 0.897 517 L CB 0.331 42.545 42.059 0.259 0.000 1.214 517 L HN -0.163 nan 8.230 nan 0.000 0.508 518 E N 0.948 121.167 120.200 0.030 0.000 2.118 518 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 518 E C 2.220 178.832 176.600 0.020 0.000 0.992 518 E CA 1.190 57.589 56.400 -0.003 0.000 0.804 518 E CB 0.245 29.811 29.700 -0.223 0.000 0.741 518 E HN 0.243 nan 8.360 nan 0.000 0.458 519 R N 0.020 120.519 120.500 -0.003 0.000 2.083 519 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 519 R C 2.408 178.720 176.300 0.020 0.000 1.137 519 R CA 1.355 57.449 56.100 -0.010 0.000 0.951 519 R CB -0.755 29.531 30.300 -0.023 0.000 0.851 519 R HN 0.211 nan 8.270 nan 0.000 0.434 520 V N 0.724 120.676 119.914 0.062 0.000 2.358 520 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 520 V C 2.568 178.748 176.094 0.142 0.000 1.047 520 V CA 1.397 63.756 62.300 0.099 0.000 1.035 520 V CB -0.422 31.484 31.823 0.137 0.000 0.658 520 V HN 0.049 nan 8.190 nan 0.000 0.452 521 V N -0.336 119.689 119.914 0.185 0.000 2.343 521 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 521 V C 2.466 178.680 176.094 0.200 0.000 1.051 521 V CA 2.043 64.507 62.300 0.274 0.000 1.036 521 V CB -0.748 31.237 31.823 0.271 0.000 0.654 521 V HN 0.591 nan 8.190 nan 0.000 0.451 522 Q N 0.311 120.160 119.800 0.083 0.000 2.181 522 Q HA -0.232 4.108 4.340 -0.000 0.000 0.205 522 Q C 2.158 178.158 176.000 0.001 0.000 0.980 522 Q CA 1.719 57.532 55.803 0.017 0.000 0.862 522 Q CB -0.182 28.540 28.738 -0.026 0.000 0.905 522 Q HN 0.777 nan 8.270 nan 0.000 0.429 523 K N -0.352 120.044 120.400 -0.007 0.000 2.426 523 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 523 K C 1.431 178.000 176.600 -0.051 0.000 1.028 523 K CA 0.446 56.706 56.287 -0.044 0.000 1.047 523 K CB 0.353 32.788 32.500 -0.107 0.000 0.821 523 K HN 0.153 nan 8.250 nan 0.000 0.513 524 L N -0.289 120.857 121.223 -0.129 0.000 2.425 524 L HA 0.331 4.671 4.340 -0.000 0.000 0.215 524 L C 0.034 176.429 176.870 -0.791 0.000 1.065 524 L CA -0.041 54.505 54.840 -0.491 0.000 0.842 524 L CB 0.321 41.936 42.059 -0.741 0.000 1.033 524 L HN 0.004 nan 8.230 nan 0.000 0.474 525 F N -1.715 118.242 119.950 0.012 0.000 2.620 525 F HA 0.451 4.978 4.527 -0.001 0.000 0.320 525 F C 0.246 176.019 175.800 -0.045 0.000 1.069 525 F CA -0.914 57.079 58.000 -0.012 0.000 0.953 525 F CB 1.710 40.700 39.000 -0.016 0.000 1.322 525 F HN -0.460 nan 8.300 nan 0.000 0.479 526 T N 2.065 116.715 114.554 0.160 0.000 2.855 526 T HA 0.432 4.782 4.350 -0.000 0.000 0.281 526 T C -2.182 172.487 174.700 -0.052 0.000 1.007 526 T CA -2.295 59.836 62.100 0.053 0.000 1.009 526 T CB 1.612 70.544 68.868 0.107 0.000 0.983 526 T HN 0.431 nan 8.240 nan 0.000 0.455 527 P HA 0.173 nan 4.420 nan 0.000 0.255 527 P C -0.698 176.384 177.300 -0.364 0.000 1.248 527 P CA -0.080 62.709 63.100 -0.518 0.000 0.807 527 P CB 0.006 31.066 31.700 -1.067 0.000 1.150 528 Y N -0.900 119.382 120.300 -0.029 0.000 2.496 528 Y HA 0.293 4.843 4.550 -0.001 0.000 0.331 528 Y C 2.176 178.100 175.900 0.039 0.000 1.140 528 Y CA -0.233 57.876 58.100 0.016 0.000 1.166 528 Y CB 0.632 39.096 38.460 0.007 0.000 1.249 528 Y HN -0.355 nan 8.280 nan 0.000 0.479 529 T N -0.565 114.140 114.554 0.251 0.000 2.894 529 T HA 0.002 4.352 4.350 -0.000 0.000 0.258 529 T C 0.121 174.893 174.700 0.119 0.000 1.043 529 T CA 0.725 62.918 62.100 0.154 0.000 1.141 529 T CB -0.018 68.927 68.868 0.128 0.000 0.873 529 T HN 0.401 nan 8.240 nan 0.000 0.449 530 E N 1.040 121.300 120.200 0.102 0.000 2.283 530 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 530 E C 0.606 177.218 176.600 0.021 0.000 1.027 530 E CA -0.236 56.185 56.400 0.035 0.000 0.843 530 E CB 0.883 30.573 29.700 -0.017 0.000 1.062 530 E HN 0.376 nan 8.360 nan 0.000 0.401 540 K N 1.932 122.336 120.400 0.008 0.000 2.412 540 K HA 0.434 4.753 4.320 -0.000 0.000 0.281 540 K C -2.468 174.169 176.600 0.061 0.000 1.027 540 K CA -1.211 55.075 56.287 -0.001 0.000 0.989 540 K CB 1.140 33.643 32.500 0.004 0.000 0.935 540 K HN 0.196 nan 8.250 nan 0.000 0.475 541 P HA 0.084 nan 4.420 nan 0.000 0.274 541 P C -0.885 176.590 177.300 0.291 0.000 1.237 541 P CA -0.415 62.807 63.100 0.203 0.000 0.793 541 P CB 0.594 32.458 31.700 0.273 0.000 0.977 542 R N 1.818 122.446 120.500 0.212 0.000 2.308 542 R HA 0.345 4.685 4.340 -0.000 0.000 0.305 542 R C -0.699 175.668 176.300 0.111 0.000 1.053 542 R CA -0.729 55.468 56.100 0.162 0.000 0.957 542 R CB 0.013 30.389 30.300 0.127 0.000 1.022 542 R HN 0.328 nan 8.270 nan 0.000 0.461 543 L N 6.325 127.578 121.223 0.051 0.000 2.278 543 L HA 0.194 4.533 4.340 -0.000 0.000 0.287 543 L C -0.036 176.900 176.870 0.109 0.000 1.072 543 L CA 0.383 55.192 54.840 -0.053 0.000 0.819 543 L CB 1.025 43.020 42.059 -0.106 0.000 1.176 543 L HN 0.841 nan 8.230 nan 0.000 0.435 544 L N 3.996 125.312 121.223 0.155 0.000 2.316 544 L HA 0.260 4.600 4.340 -0.000 0.000 0.207 544 L C -0.242 176.853 176.870 0.376 0.000 1.070 544 L CA 0.038 55.027 54.840 0.249 0.000 0.820 544 L CB -0.043 42.135 42.059 0.198 0.000 0.992 544 L HN 0.597 nan 8.230 nan 0.000 0.466 545 W N 0.040 121.406 121.300 0.111 0.000 3.256 545 W HA 0.639 5.299 4.660 -0.000 0.000 0.324 545 W C -1.493 175.073 176.519 0.079 0.000 1.196 545 W CA -0.779 56.622 57.345 0.093 0.000 1.206 545 W CB 1.591 31.111 29.460 0.101 0.000 1.385 545 W HN -0.193 nan 8.180 nan 0.000 0.522 546 A N 5.063 127.536 122.820 -0.578 0.000 2.422 546 A HA 0.775 5.094 4.320 -0.000 0.000 0.302 546 A C -2.501 174.586 177.584 -0.828 0.000 1.041 546 A CA -0.649 51.083 52.037 -0.508 0.000 0.708 546 A CB 1.574 20.501 19.000 -0.122 0.000 1.257 546 A HN 0.936 nan 8.150 nan 0.000 0.414 547 L N 1.824 122.644 121.223 -0.672 0.000 2.385 547 L HA 0.860 5.199 4.340 -0.000 0.000 0.273 547 L C -1.934 174.771 176.870 -0.274 0.000 0.990 547 L CA -0.467 54.145 54.840 -0.381 0.000 0.821 547 L CB 1.289 43.285 42.059 -0.106 0.000 1.279 547 L HN 0.610 nan 8.230 nan 0.000 0.412 548 Y N 5.569 125.967 120.300 0.164 0.000 2.462 548 Y HA 0.767 5.317 4.550 -0.000 0.000 0.346 548 Y C -0.551 175.537 175.900 0.314 0.000 0.976 548 Y CA -0.538 57.665 58.100 0.171 0.000 1.044 548 Y CB 1.939 40.487 38.460 0.146 0.000 1.230 548 Y HN 0.624 nan 8.280 nan 0.000 0.455 549 F N -0.688 119.411 119.950 0.248 0.000 2.719 549 F HA 0.620 5.146 4.527 -0.000 0.000 0.309 549 F C -2.117 173.773 175.800 0.151 0.000 1.138 549 F CA -1.354 56.756 58.000 0.183 0.000 0.943 549 F CB 1.239 40.346 39.000 0.178 0.000 1.304 549 F HN 0.314 nan 8.300 nan 0.000 0.445 550 N N 2.252 121.136 118.700 0.308 0.000 2.399 550 N HA 0.625 5.365 4.740 -0.000 0.000 0.295 550 N C -1.346 174.300 175.510 0.225 0.000 1.048 550 N CA -0.740 52.413 53.050 0.171 0.000 0.886 550 N CB 1.972 40.580 38.487 0.201 0.000 1.185 550 N HN 0.834 nan 8.380 nan 0.000 0.487 551 M N 1.666 121.353 119.600 0.146 0.000 2.383 551 M HA 0.372 4.852 4.480 -0.000 0.000 0.325 551 M C -0.354 175.963 176.300 0.029 0.000 1.092 551 M CA -0.873 54.509 55.300 0.135 0.000 0.961 551 M CB 1.351 34.063 32.600 0.187 0.000 1.672 551 M HN 0.504 nan 8.290 nan 0.000 0.438 552 R N 2.992 123.477 120.500 -0.025 0.000 2.538 552 R HA -0.019 4.320 4.340 -0.000 0.000 0.282 552 R C -1.076 175.200 176.300 -0.040 0.000 1.009 552 R CA 0.343 56.396 56.100 -0.079 0.000 1.063 552 R CB 0.355 30.512 30.300 -0.237 0.000 0.945 552 R HN 0.642 nan 8.270 nan 0.000 0.414 553 D N 2.792 123.202 120.400 0.017 0.000 2.427 553 D HA 0.069 4.709 4.640 -0.000 0.000 0.226 553 D C -0.203 176.193 176.300 0.159 0.000 1.076 553 D CA -0.429 53.604 54.000 0.055 0.000 0.849 553 D CB 1.219 42.042 40.800 0.039 0.000 1.052 553 D HN 0.558 nan 8.370 nan 0.000 0.515 554 S N 1.397 117.205 115.700 0.181 0.000 2.574 554 S HA 0.156 4.626 4.470 -0.000 0.000 0.242 554 S C 0.592 175.346 174.600 0.257 0.000 0.982 554 S CA -0.623 57.775 58.200 0.329 0.000 0.977 554 S CB -0.465 62.959 63.200 0.373 0.000 0.814 554 S HN 0.335 nan 8.310 nan 0.000 0.464 555 S N 1.254 117.064 115.700 0.184 0.000 2.603 555 S HA 0.363 4.833 4.470 -0.000 0.000 0.268 555 S C -0.139 174.539 174.600 0.131 0.000 1.317 555 S CA -0.313 57.983 58.200 0.160 0.000 1.012 555 S CB 0.033 63.312 63.200 0.132 0.000 0.926 555 S HN 0.271 nan 8.310 nan 0.000 0.539 556 D N -0.387 120.084 120.400 0.117 0.000 2.772 556 D HA -0.139 4.501 4.640 -0.000 0.000 0.233 556 D C -0.706 175.643 176.300 0.082 0.000 1.143 556 D CA 0.918 54.971 54.000 0.088 0.000 0.700 556 D CB -1.641 39.198 40.800 0.065 0.000 1.076 556 D HN 0.659 nan 8.370 nan 0.000 0.430 557 I N 0.849 121.488 120.570 0.115 0.000 2.354 557 I HA 0.127 4.297 4.170 -0.000 0.000 0.292 557 I C 0.888 177.077 176.117 0.120 0.000 0.989 557 I CA -0.650 60.699 61.300 0.081 0.000 1.188 557 I CB 1.506 39.552 38.000 0.077 0.000 1.342 557 I HN -0.039 nan 8.210 nan 0.000 0.457 558 S N 5.695 121.432 115.700 0.061 0.000 2.565 558 S HA 0.294 4.764 4.470 -0.000 0.000 0.276 558 S C 1.107 175.790 174.600 0.138 0.000 1.326 558 S CA -0.644 57.605 58.200 0.083 0.000 1.045 558 S CB 1.399 64.622 63.200 0.038 0.000 0.918 558 S HN 0.626 nan 8.310 nan 0.000 0.505 559 R N 1.157 121.763 120.500 0.178 0.000 2.119 559 R HA -0.159 4.180 4.340 -0.000 0.000 0.246 559 R C 1.075 177.495 176.300 0.199 0.000 1.146 559 R CA 2.082 58.323 56.100 0.235 0.000 0.962 559 R CB -0.584 29.789 30.300 0.122 0.000 0.863 559 R HN 0.699 nan 8.270 nan 0.000 0.442 560 D N -0.132 120.322 120.400 0.090 0.000 2.311 560 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 560 D C 1.606 177.905 176.300 -0.002 0.000 0.972 560 D CA 0.852 54.877 54.000 0.042 0.000 0.887 560 D CB -0.314 40.496 40.800 0.017 0.000 0.915 560 D HN 0.328 nan 8.370 nan 0.000 0.497 561 C N -0.077 119.184 119.300 -0.065 0.000 2.446 561 C HA -0.044 4.416 4.460 -0.000 0.000 0.279 561 C C 1.023 175.840 174.990 -0.289 0.000 1.366 561 C CA -0.298 58.586 59.018 -0.223 0.000 1.763 561 C CB -1.068 26.450 27.740 -0.370 0.000 1.929 561 C HN 0.211 nan 8.230 nan 0.000 0.509 562 Y N 1.653 121.946 120.300 -0.012 0.000 2.307 562 Y HA 0.272 4.822 4.550 -0.000 0.000 0.324 562 Y C 0.627 176.524 175.900 -0.005 0.000 1.238 562 Y CA -0.268 57.831 58.100 -0.002 0.000 1.280 562 Y CB 0.325 38.795 38.460 0.015 0.000 1.248 562 Y HN 0.154 nan 8.280 nan 0.000 0.508 563 N N 2.819 121.613 118.700 0.158 0.000 2.479 563 N HA 0.053 4.793 4.740 -0.000 0.000 0.285 563 N C -0.754 174.795 175.510 0.066 0.000 1.075 563 N CA -0.152 52.947 53.050 0.082 0.000 0.967 563 N CB 0.713 39.233 38.487 0.055 0.000 1.137 563 N HN 0.660 nan 8.380 nan 0.000 0.472 564 D N 0.351 120.773 120.400 0.036 0.000 2.692 564 D HA -0.204 4.436 4.640 -0.000 0.000 0.233 564 D C -0.342 175.953 176.300 -0.008 0.000 1.172 564 D CA 0.517 54.523 54.000 0.010 0.000 0.636 564 D CB -0.818 39.984 40.800 0.003 0.000 1.028 564 D HN 0.281 nan 8.370 nan 0.000 0.419 565 L N 0.831 122.053 121.223 -0.002 0.000 2.360 565 L HA 0.276 4.616 4.340 -0.000 0.000 0.276 565 L C -1.613 175.213 176.870 -0.073 0.000 1.121 565 L CA -1.102 53.712 54.840 -0.043 0.000 0.845 565 L CB 0.259 42.300 42.059 -0.031 0.000 1.143 565 L HN -0.154 nan 8.230 nan 0.000 0.452 566 P HA 0.131 nan 4.420 nan 0.000 0.272 566 P C 0.461 177.677 177.300 -0.141 0.000 1.223 566 P CA -0.178 62.855 63.100 -0.112 0.000 0.784 566 P CB 0.609 32.225 31.700 -0.141 0.000 0.923 567 S N 0.778 116.407 115.700 -0.117 0.000 2.474 567 S HA -0.140 4.329 4.470 -0.000 0.000 0.235 567 S C 1.048 175.483 174.600 -0.275 0.000 0.997 567 S CA 0.904 59.014 58.200 -0.149 0.000 0.949 567 S CB -0.877 62.282 63.200 -0.068 0.000 0.766 567 S HN 0.595 nan 8.310 nan 0.000 0.517 568 N N 0.892 119.465 118.700 -0.212 0.000 2.320 568 N HA 0.159 4.899 4.740 -0.000 0.000 0.237 568 N C -0.715 174.654 175.510 -0.235 0.000 1.129 568 N CA -0.296 52.636 53.050 -0.197 0.000 0.854 568 N CB 0.348 38.902 38.487 0.113 0.000 1.083 568 N HN 0.289 nan 8.380 nan 0.000 0.504 569 V N 1.818 121.474 119.914 -0.430 0.000 2.378 569 V HA 0.378 4.497 4.120 -0.000 0.000 0.288 569 V C -1.138 174.714 176.094 -0.403 0.000 1.016 569 V CA -0.728 61.443 62.300 -0.216 0.000 0.840 569 V CB 0.459 32.193 31.823 -0.149 0.000 0.994 569 V HN 0.099 nan 8.190 nan 0.000 0.431 570 Y N 3.192 123.525 120.300 0.056 0.000 2.377 570 Y HA 0.672 5.222 4.550 -0.000 0.000 0.339 570 Y C 0.055 175.948 175.900 -0.011 0.000 1.011 570 Y CA -1.148 56.963 58.100 0.019 0.000 1.093 570 Y CB 1.853 40.327 38.460 0.023 0.000 1.201 570 Y HN 0.326 nan 8.280 nan 0.000 0.455 571 V N 2.901 122.867 119.914 0.087 0.000 2.398 571 V HA 0.317 4.437 4.120 -0.000 0.000 0.286 571 V C -0.237 175.906 176.094 0.081 0.000 1.026 571 V CA -0.824 61.479 62.300 0.005 0.000 0.868 571 V CB 1.005 32.705 31.823 -0.205 0.000 0.982 571 V HN 0.910 nan 8.190 nan 0.000 0.443 572 C N 3.952 123.314 119.300 0.103 0.000 2.366 572 C HA 0.708 5.168 4.460 -0.000 0.000 0.345 572 C C 1.075 176.177 174.990 0.187 0.000 1.209 572 C CA -0.403 58.697 59.018 0.136 0.000 2.050 572 C CB 1.452 29.268 27.740 0.126 0.000 2.359 572 C HN 1.037 nan 8.230 nan 0.000 0.527 573 S N 1.949 117.781 115.700 0.221 0.000 2.694 573 S HA 0.800 5.270 4.470 -0.000 0.000 0.278 573 S C 0.230 175.028 174.600 0.330 0.000 1.152 573 S CA -0.086 58.272 58.200 0.263 0.000 1.010 573 S CB 1.010 64.360 63.200 0.250 0.000 1.104 573 S HN 1.015 nan 8.310 nan 0.000 0.547 574 G N -0.453 108.523 108.800 0.294 0.000 2.606 574 G HA2 0.618 4.578 3.960 -0.000 0.000 0.262 574 G HA3 0.618 4.578 3.960 -0.000 0.000 0.262 574 G C -3.029 172.009 174.900 0.229 0.000 1.394 574 G CA -2.042 43.245 45.100 0.312 0.000 1.044 574 G HN 0.579 nan 8.290 nan 0.000 0.553 575 P HA 0.118 nan 4.420 nan 0.000 0.266 575 P C -0.574 176.631 177.300 -0.158 0.000 1.195 575 P CA 0.059 62.779 63.100 -0.633 0.000 0.768 575 P CB 0.653 31.789 31.700 -0.940 0.000 0.838 576 D N 0.091 120.466 120.400 -0.041 0.000 2.440 576 D HA 0.097 4.736 4.640 -0.000 0.000 0.258 576 D C 0.509 176.796 176.300 -0.022 0.000 1.092 576 D CA -0.516 53.498 54.000 0.022 0.000 1.016 576 D CB 0.878 41.736 40.800 0.096 0.000 1.141 576 D HN 0.299 nan 8.370 nan 0.000 0.552 577 S N -1.278 114.414 115.700 -0.014 0.000 2.593 577 S HA 0.198 4.668 4.470 -0.000 0.000 0.217 577 S C 1.249 175.853 174.600 0.007 0.000 0.966 577 S CA -0.231 57.951 58.200 -0.030 0.000 0.914 577 S CB -0.483 62.676 63.200 -0.068 0.000 0.776 577 S HN 0.697 nan 8.310 nan 0.000 0.523 578 G N 1.325 110.152 108.800 0.044 0.000 2.664 578 G HA2 0.372 4.332 3.960 -0.000 0.000 0.242 578 G HA3 0.372 4.332 3.960 -0.000 0.000 0.242 578 G C 0.580 175.545 174.900 0.109 0.000 1.225 578 G CA -0.372 44.779 45.100 0.085 0.000 0.849 578 G HN 0.289 nan 8.290 nan 0.000 0.581 579 L N 1.118 122.433 121.223 0.154 0.000 2.072 579 L HA 0.251 4.590 4.340 -0.000 0.000 0.205 579 L C 1.734 178.736 176.870 0.220 0.000 1.079 579 L CA 2.086 57.013 54.840 0.146 0.000 0.752 579 L CB -0.867 41.280 42.059 0.147 0.000 0.906 579 L HN 0.607 nan 8.230 nan 0.000 0.436 580 G N -1.542 107.482 108.800 0.372 0.000 2.568 580 G HA2 0.142 4.102 3.960 -0.000 0.000 0.293 580 G HA3 0.142 4.102 3.960 -0.000 0.000 0.293 580 G C -0.054 175.008 174.900 0.270 0.000 1.347 580 G CA -0.435 44.911 45.100 0.410 0.000 1.039 580 G HN 0.174 nan 8.290 nan 0.000 0.523 581 N N -0.306 118.541 118.700 0.245 0.000 2.389 581 N HA 0.095 4.835 4.740 -0.000 0.000 0.260 581 N C 0.294 175.887 175.510 0.137 0.000 1.191 581 N CA -0.176 52.999 53.050 0.209 0.000 0.885 581 N CB 0.943 39.550 38.487 0.201 0.000 1.162 581 N HN 0.330 nan 8.380 nan 0.000 0.512 582 D N 0.394 120.858 120.400 0.108 0.000 2.144 582 D HA -0.137 4.502 4.640 -0.000 0.000 0.199 582 D C 1.683 178.019 176.300 0.061 0.000 0.984 582 D CA 0.845 54.879 54.000 0.057 0.000 0.834 582 D CB 0.088 40.900 40.800 0.020 0.000 0.955 582 D HN 0.327 nan 8.370 nan 0.000 0.465 583 N N 0.482 119.240 118.700 0.096 0.000 2.120 583 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 583 N C 1.663 177.235 175.510 0.102 0.000 1.024 583 N CA 1.439 54.551 53.050 0.104 0.000 0.852 583 N CB 0.092 38.663 38.487 0.140 0.000 1.003 583 N HN 0.097 nan 8.380 nan 0.000 0.424 584 A N 0.803 123.695 122.820 0.121 0.000 1.873 584 A HA -0.033 4.286 4.320 -0.000 0.000 0.215 584 A C 2.543 180.103 177.584 -0.041 0.000 1.186 584 A CA 1.271 53.325 52.037 0.028 0.000 0.616 584 A CB -0.786 18.151 19.000 -0.106 0.000 0.823 584 A HN 0.175 nan 8.150 nan 0.000 0.442 585 V N 0.239 120.137 119.914 -0.026 0.000 2.343 585 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 585 V C 2.456 178.529 176.094 -0.036 0.000 1.051 585 V CA 2.409 64.695 62.300 -0.023 0.000 1.036 585 V CB -0.737 31.098 31.823 0.019 0.000 0.654 585 V HN 0.534 nan 8.190 nan 0.000 0.451 586 K N 0.301 120.683 120.400 -0.031 0.000 2.026 586 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 586 K C 2.347 178.903 176.600 -0.073 0.000 1.048 586 K CA 1.874 58.123 56.287 -0.062 0.000 0.929 586 K CB -0.278 32.206 32.500 -0.026 0.000 0.713 586 K HN 0.748 nan 8.250 nan 0.000 0.439 587 Q N 0.508 120.293 119.800 -0.025 0.000 2.124 587 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 587 Q C 2.037 178.011 176.000 -0.043 0.000 0.977 587 Q CA 1.506 57.303 55.803 -0.010 0.000 0.850 587 Q CB -0.275 28.488 28.738 0.041 0.000 0.901 587 Q HN 0.217 nan 8.270 nan 0.000 0.429 588 A N 1.495 124.282 122.820 -0.055 0.000 1.902 588 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 588 A C 2.013 179.514 177.584 -0.139 0.000 1.181 588 A CA 1.568 53.584 52.037 -0.036 0.000 0.623 588 A CB -0.674 18.336 19.000 0.016 0.000 0.818 588 A HN 0.619 nan 8.150 nan 0.000 0.443 589 E N -0.856 119.086 120.200 -0.430 0.000 2.110 589 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 589 E C 1.906 178.280 176.600 -0.376 0.000 0.988 589 E CA 1.564 57.410 56.400 -0.923 0.000 0.804 589 E CB -0.121 28.967 29.700 -1.020 0.000 0.745 589 E HN 0.558 nan 8.360 nan 0.000 0.458 590 T N 0.935 115.364 114.554 -0.209 0.000 2.777 590 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 590 T C 1.618 176.266 174.700 -0.087 0.000 1.040 590 T CA 0.804 62.836 62.100 -0.113 0.000 1.141 590 T CB -0.116 68.717 68.868 -0.059 0.000 0.868 590 T HN 0.064 nan 8.240 nan 0.000 0.444 591 L N 0.488 121.665 121.223 -0.077 0.000 2.046 591 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 591 L C 2.005 178.769 176.870 -0.177 0.000 1.077 591 L CA 1.401 56.167 54.840 -0.122 0.000 0.747 591 L CB -1.160 40.832 42.059 -0.111 0.000 0.896 591 L HN 0.238 nan 8.230 nan 0.000 0.432 592 F N 0.189 120.005 119.950 -0.223 0.000 2.171 592 F HA -0.271 4.256 4.527 -0.000 0.000 0.300 592 F C 2.608 178.303 175.800 -0.174 0.000 1.090 592 F CA 1.584 59.482 58.000 -0.170 0.000 1.293 592 F CB -0.194 38.798 39.000 -0.013 0.000 1.013 592 F HN 0.126 nan 8.300 nan 0.000 0.486 593 Q N -0.121 119.576 119.800 -0.172 0.000 2.170 593 Q HA -0.223 4.116 4.340 -0.000 0.000 0.203 593 Q C 2.224 178.077 176.000 -0.246 0.000 0.976 593 Q CA 1.963 57.637 55.803 -0.216 0.000 0.858 593 Q CB -0.125 28.547 28.738 -0.109 0.000 0.907 593 Q HN 0.572 nan 8.270 nan 0.000 0.433 594 Q N -0.648 119.022 119.800 -0.218 0.000 2.137 594 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 594 Q C 1.849 177.687 176.000 -0.269 0.000 0.960 594 Q CA 0.942 56.650 55.803 -0.158 0.000 0.847 594 Q CB 0.190 28.911 28.738 -0.028 0.000 0.915 594 Q HN 0.431 nan 8.270 nan 0.000 0.448 595 I N -0.764 119.507 120.570 -0.499 0.000 2.584 595 I HA -0.107 4.063 4.170 -0.000 0.000 0.255 595 I C 0.675 176.436 176.117 -0.593 0.000 1.145 595 I CA 0.342 61.225 61.300 -0.695 0.000 1.462 595 I CB 0.577 38.057 38.000 -0.867 0.000 1.102 595 I HN 0.089 nan 8.210 nan 0.000 0.433 596 C N 2.674 121.553 119.300 -0.701 0.000 3.276 596 C HA 0.341 4.800 4.460 -0.000 0.000 0.226 596 C C -2.190 172.458 174.990 -0.571 0.000 1.502 596 C CA -1.503 57.104 59.018 -0.685 0.000 1.488 596 C CB -0.822 26.271 27.740 -1.078 0.000 2.014 596 C HN 0.164 nan 8.230 nan 0.000 0.492 597 P HA 0.066 nan 4.420 nan 0.000 0.267 597 P C 0.218 177.433 177.300 -0.140 0.000 1.200 597 P CA 1.018 63.995 63.100 -0.205 0.000 0.772 597 P CB 0.474 32.097 31.700 -0.127 0.000 0.855 598 N N -1.483 117.166 118.700 -0.085 0.000 2.800 598 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 598 N C -0.155 175.352 175.510 -0.005 0.000 1.078 598 N CA 1.197 54.227 53.050 -0.033 0.000 0.804 598 N CB -1.011 37.458 38.487 -0.030 0.000 1.135 598 N HN 0.590 nan 8.380 nan 0.000 0.565 599 E N 0.632 120.832 120.200 0.001 0.000 2.212 599 E HA 0.265 4.615 4.350 -0.000 0.000 0.270 599 E C -0.227 176.540 176.600 0.278 0.000 0.956 599 E CA -0.594 55.873 56.400 0.110 0.000 0.825 599 E CB 1.393 31.150 29.700 0.096 0.000 1.167 599 E HN 0.024 nan 8.360 nan 0.000 0.400 600 D N 0.933 121.470 120.400 0.228 0.000 2.345 600 D HA 0.038 4.678 4.640 -0.000 0.000 0.247 600 D C -0.972 175.454 176.300 0.210 0.000 1.108 600 D CA -0.245 53.867 54.000 0.186 0.000 0.894 600 D CB 0.255 41.097 40.800 0.071 0.000 1.203 600 D HN 0.154 nan 8.370 nan 0.000 0.430 601 F N 4.744 124.651 119.950 -0.071 0.000 2.405 601 F HA 0.185 4.712 4.527 -0.000 0.000 0.358 601 F C 0.250 175.834 175.800 -0.361 0.000 1.151 601 F CA -0.936 56.804 58.000 -0.432 0.000 1.161 601 F CB -0.503 38.336 39.000 -0.269 0.000 1.245 601 F HN 0.490 nan 8.300 nan 0.000 0.545 602 C N 5.783 124.605 119.300 -0.797 0.000 4.209 602 C HA -0.145 4.315 4.460 -0.000 0.000 0.305 602 C C -2.098 172.682 174.990 -0.350 0.000 1.339 602 C CA -0.476 58.160 59.018 -0.637 0.000 2.062 602 C CB -2.786 24.460 27.740 -0.824 0.000 1.307 602 C HN 0.636 nan 8.230 nan 0.000 0.706 603 P HA 0.388 nan 4.420 nan 0.000 0.272 603 P C 0.253 177.463 177.300 -0.150 0.000 1.223 603 P CA 0.665 63.674 63.100 -0.152 0.000 0.784 603 P CB 0.690 32.328 31.700 -0.103 0.000 0.923 604 A N 4.736 127.498 122.820 -0.098 0.000 2.507 604 A HA 0.282 4.602 4.320 -0.000 0.000 0.235 604 A C -1.786 175.785 177.584 -0.021 0.000 1.070 604 A CA -0.811 51.185 52.037 -0.069 0.000 0.768 604 A CB -1.506 17.464 19.000 -0.050 0.000 1.011 604 A HN 0.467 nan 8.150 nan 0.000 0.502 605 P HA 0.261 nan 4.420 nan 0.000 0.274 605 P C -2.175 175.196 177.300 0.118 0.000 1.231 605 P CA -0.806 62.420 63.100 0.209 0.000 0.790 605 P CB -0.305 31.598 31.700 0.338 0.000 0.951 606 P HA 0.000 nan 4.420 nan 0.000 0.216 606 P CA 0.000 63.142 63.100 0.071 0.000 0.800 606 P CB 0.000 31.746 31.700 0.077 0.000 0.726