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 3p9r_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGGHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PXGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.566 174.600 -0.057 0.000 1.055 28 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 28 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 29 L N 2.818 123.998 121.223 -0.073 0.000 2.556 29 L HA 0.478 4.852 4.340 0.056 0.000 0.226 29 L C 1.407 178.201 176.870 -0.126 0.000 1.089 29 L CA 0.215 55.008 54.840 -0.079 0.000 0.864 29 L CB -0.243 41.781 42.059 -0.058 0.000 1.067 29 L HN 0.693 nan 8.230 nan 0.000 0.477 30 A N 1.804 124.495 122.820 -0.215 0.000 2.425 30 A HA 0.351 4.705 4.320 0.056 0.000 0.242 30 A C -2.008 175.429 177.584 -0.246 0.000 1.077 30 A CA -0.798 50.994 52.037 -0.408 0.000 0.781 30 A CB -0.595 17.895 19.000 -0.850 0.000 1.020 30 A HN -0.004 nan 8.150 nan 0.000 0.494 31 P HA 0.103 nan 4.420 nan 0.000 0.271 31 P C 0.369 177.656 177.300 -0.021 0.000 1.216 31 P CA -0.195 62.874 63.100 -0.052 0.000 0.776 31 P CB 0.912 32.623 31.700 0.018 0.000 0.881 32 E N 2.385 122.578 120.200 -0.010 0.000 2.149 32 E HA -0.258 4.125 4.350 0.056 0.000 0.215 32 E C 1.121 177.741 176.600 0.034 0.000 1.055 32 E CA 2.311 58.715 56.400 0.007 0.000 0.870 32 E CB -0.642 29.060 29.700 0.004 0.000 0.764 32 E HN 0.655 nan 8.360 nan 0.000 0.463 33 D N -1.763 118.664 120.400 0.045 0.000 2.349 33 D HA 0.074 4.748 4.640 0.056 0.000 0.224 33 D C 1.245 177.595 176.300 0.084 0.000 1.029 33 D CA 0.940 54.971 54.000 0.052 0.000 0.879 33 D CB -0.366 40.457 40.800 0.039 0.000 0.906 33 D HN 0.270 nan 8.370 nan 0.000 0.528 34 G N 0.480 109.374 108.800 0.157 0.000 2.175 34 G HA2 -0.390 3.604 3.960 0.056 0.000 0.265 34 G HA3 -0.390 3.604 3.960 0.056 0.000 0.265 34 G C 1.143 176.119 174.900 0.127 0.000 0.979 34 G CA 1.009 46.245 45.100 0.227 0.000 0.663 34 G HN 0.739 nan 8.290 nan 0.000 0.533 35 S N 0.657 116.443 115.700 0.144 0.000 2.595 35 S HA -0.088 4.416 4.470 0.056 0.000 0.235 35 S C 1.980 176.627 174.600 0.078 0.000 0.974 35 S CA 1.290 59.532 58.200 0.070 0.000 0.942 35 S CB -0.601 62.635 63.200 0.060 0.000 0.766 35 S HN 0.976 nan 8.310 nan 0.000 0.536 36 H N 1.027 120.104 119.070 0.012 0.000 2.495 36 H HA 0.206 4.796 4.556 0.056 0.000 0.287 36 H C 0.850 176.190 175.328 0.021 0.000 1.033 36 H CA 0.643 56.700 56.048 0.014 0.000 1.307 36 H CB -0.328 29.441 29.762 0.012 0.000 1.401 36 H HN 0.403 nan 8.280 nan 0.000 0.555 37 R N 2.214 122.399 120.500 -0.525 0.000 2.310 37 R HA 0.376 4.750 4.340 0.056 0.000 0.324 37 R C -2.785 173.416 176.300 -0.165 0.000 0.955 37 R CA -2.126 53.737 56.100 -0.396 0.000 0.830 37 R CB 1.024 30.984 30.300 -0.566 0.000 1.154 37 R HN 0.069 nan 8.270 nan 0.000 0.458 38 P HA 0.171 nan 4.420 nan 0.000 0.271 38 P C -0.913 176.377 177.300 -0.017 0.000 1.216 38 P CA -0.402 62.686 63.100 -0.020 0.000 0.776 38 P CB 1.087 32.801 31.700 0.023 0.000 0.881 39 A N 2.670 125.486 122.820 -0.007 0.000 2.498 39 A HA 0.379 4.733 4.320 0.056 0.000 0.239 39 A C 0.860 178.453 177.584 0.016 0.000 1.068 39 A CA 0.164 52.201 52.037 -0.000 0.000 0.766 39 A CB -0.422 18.580 19.000 0.004 0.000 1.003 39 A HN 0.579 nan 8.150 nan 0.000 0.497 40 A N 2.768 125.598 122.820 0.016 0.000 3.118 40 A HA 0.509 4.863 4.320 0.056 0.000 0.256 40 A C 0.300 177.902 177.584 0.030 0.000 1.667 40 A CA 0.158 52.211 52.037 0.026 0.000 1.338 40 A CB -0.859 18.155 19.000 0.022 0.000 1.127 40 A HN 0.908 nan 8.150 nan 0.000 0.634 41 E N -0.062 120.158 120.200 0.033 0.000 2.407 41 E HA 0.505 4.889 4.350 0.056 0.000 0.279 41 E C -3.292 173.329 176.600 0.035 0.000 1.012 41 E CA -2.284 54.136 56.400 0.034 0.000 0.800 41 E CB 1.384 31.099 29.700 0.024 0.000 1.276 41 E HN 0.112 nan 8.360 nan 0.000 0.452 42 P HA 0.077 nan 4.420 nan 0.000 0.271 42 P C -0.585 176.721 177.300 0.009 0.000 1.216 42 P CA 0.128 63.242 63.100 0.022 0.000 0.771 42 P CB 0.896 32.598 31.700 0.004 0.000 0.864 43 T N 0.011 114.566 114.554 0.002 0.000 2.916 43 T HA 0.570 4.954 4.350 0.056 0.000 0.305 43 T C -2.950 171.714 174.700 -0.061 0.000 1.119 43 T CA -2.438 59.655 62.100 -0.012 0.000 1.008 43 T CB 1.530 70.397 68.868 -0.000 0.000 1.129 43 T HN 0.164 nan 8.240 nan 0.000 0.480 44 P HA 0.347 nan 4.420 nan 0.000 0.272 44 P C -2.744 174.396 177.300 -0.268 0.000 1.240 44 P CA -1.535 61.379 63.100 -0.310 0.000 0.791 44 P CB -1.026 30.527 31.700 -0.245 0.000 0.978 45 P HA 0.029 nan 4.420 nan 0.000 0.262 45 P C 1.032 178.285 177.300 -0.080 0.000 1.182 45 P CA 1.595 64.596 63.100 -0.165 0.000 0.761 45 P CB -0.355 31.258 31.700 -0.145 0.000 0.795 46 G N 2.913 111.697 108.800 -0.027 0.000 2.162 46 G HA2 -0.326 3.668 3.960 0.056 0.000 0.260 46 G HA3 -0.326 3.668 3.960 0.056 0.000 0.260 46 G C 1.042 175.940 174.900 -0.004 0.000 0.976 46 G CA 0.357 45.454 45.100 -0.004 0.000 0.655 46 G HN 0.680 nan 8.290 nan 0.000 0.533 47 A N -1.469 121.343 122.820 -0.014 0.000 2.072 47 A HA 0.473 4.826 4.320 0.056 0.000 0.216 47 A C 1.292 178.878 177.584 0.004 0.000 1.156 47 A CA 1.677 53.711 52.037 -0.006 0.000 0.701 47 A CB 0.102 19.095 19.000 -0.011 0.000 0.816 47 A HN 0.466 nan 8.150 nan 0.000 0.458 48 Q N -0.831 118.975 119.800 0.010 0.000 2.456 48 Q HA 0.429 4.803 4.340 0.056 0.000 0.283 48 Q C -2.989 173.026 176.000 0.026 0.000 1.084 48 Q CA -2.024 53.790 55.803 0.017 0.000 0.801 48 Q CB 1.157 29.909 28.738 0.022 0.000 1.434 48 Q HN 0.037 nan 8.270 nan 0.000 0.419 49 P HA 0.055 nan 4.420 nan 0.000 0.268 49 P C -0.242 177.091 177.300 0.055 0.000 1.205 49 P CA 0.066 63.182 63.100 0.028 0.000 0.771 49 P CB 0.322 32.035 31.700 0.022 0.000 0.858 50 T N -0.213 114.375 114.554 0.057 0.000 2.813 50 T HA 0.580 4.963 4.350 0.056 0.000 0.297 50 T C -0.015 174.778 174.700 0.154 0.000 1.036 50 T CA -0.518 61.668 62.100 0.143 0.000 1.044 50 T CB 0.596 69.506 68.868 0.070 0.000 0.993 50 T HN 0.532 nan 8.240 nan 0.000 0.535 51 A N 1.596 124.608 122.820 0.319 0.000 2.594 51 A HA 0.745 5.099 4.320 0.056 0.000 0.295 51 A C -3.061 174.793 177.584 0.449 0.000 1.071 51 A CA -2.032 50.168 52.037 0.272 0.000 0.685 51 A CB 0.745 19.853 19.000 0.180 0.000 1.285 51 A HN 0.662 nan 8.150 nan 0.000 0.405 52 P HA 0.091 nan 4.420 nan 0.000 0.264 52 P C 1.236 178.686 177.300 0.250 0.000 1.179 52 P CA 0.960 64.282 63.100 0.370 0.000 0.763 52 P CB 0.558 32.396 31.700 0.230 0.000 0.806 53 G N 1.882 110.787 108.800 0.175 0.000 2.450 53 G HA2 -0.233 3.761 3.960 0.056 0.000 0.220 53 G HA3 -0.233 3.761 3.960 0.056 0.000 0.220 53 G C 1.360 176.278 174.900 0.030 0.000 1.130 53 G CA 0.537 45.654 45.100 0.029 0.000 0.760 53 G HN 0.488 nan 8.290 nan 0.000 0.557 54 S N 0.143 115.867 115.700 0.040 0.000 2.461 54 S HA 0.136 4.640 4.470 0.056 0.000 0.228 54 S C 2.107 176.728 174.600 0.036 0.000 1.005 54 S CA 0.336 58.546 58.200 0.016 0.000 0.942 54 S CB -0.011 63.193 63.200 0.007 0.000 0.776 54 S HN 0.315 nan 8.310 nan 0.000 0.514 55 L N 0.436 121.698 121.223 0.064 0.000 2.249 55 L HA 0.157 4.531 4.340 0.056 0.000 0.207 55 L C 2.391 179.297 176.870 0.060 0.000 1.090 55 L CA 0.677 55.554 54.840 0.062 0.000 0.802 55 L CB -0.309 41.795 42.059 0.076 0.000 0.947 55 L HN 0.136 nan 8.230 nan 0.000 0.453 56 K N 1.506 121.952 120.400 0.077 0.000 2.057 56 K HA -0.013 4.341 4.320 0.056 0.000 0.206 56 K C 0.808 177.440 176.600 0.053 0.000 1.050 56 K CA 1.441 57.772 56.287 0.073 0.000 0.935 56 K CB 0.017 32.577 32.500 0.099 0.000 0.715 56 K HN 0.171 nan 8.250 nan 0.000 0.439 57 A N 0.507 123.351 122.820 0.040 0.000 3.355 57 A HA 0.341 4.695 4.320 0.056 0.000 0.290 57 A C -2.153 175.439 177.584 0.013 0.000 0.973 57 A CA -0.984 51.073 52.037 0.034 0.000 0.933 57 A CB 0.537 19.562 19.000 0.043 0.000 1.138 57 A HN 0.141 nan 8.150 nan 0.000 0.490 58 P HA -0.130 nan 4.420 nan 0.000 0.219 58 P C 0.033 177.328 177.300 -0.008 0.000 1.146 58 P CA 1.261 64.363 63.100 0.002 0.000 0.808 58 P CB 0.292 31.997 31.700 0.009 0.000 0.779 59 D N -1.068 119.332 120.400 -0.001 0.000 2.368 59 D HA 0.048 4.722 4.640 0.056 0.000 0.218 59 D C 0.115 176.406 176.300 -0.015 0.000 1.112 59 D CA 0.372 54.367 54.000 -0.008 0.000 0.834 59 D CB -0.184 40.617 40.800 0.002 0.000 0.953 59 D HN 0.087 nan 8.370 nan 0.000 0.505 60 T N 1.767 116.310 114.554 -0.019 0.000 2.723 60 T HA 0.343 4.726 4.350 0.056 0.000 0.297 60 T C 0.544 175.204 174.700 -0.067 0.000 0.925 60 T CA -0.248 61.828 62.100 -0.039 0.000 1.030 60 T CB 1.188 70.034 68.868 -0.037 0.000 0.905 60 T HN -0.102 nan 8.240 nan 0.000 0.502 61 R N 2.943 123.397 120.500 -0.077 0.000 2.854 61 R HA 0.663 5.036 4.340 0.056 0.000 0.271 61 R C -0.530 175.711 176.300 -0.098 0.000 0.994 61 R CA -1.055 54.992 56.100 -0.089 0.000 0.945 61 R CB 1.644 31.899 30.300 -0.075 0.000 1.194 61 R HN 0.750 nan 8.270 nan 0.000 0.476 62 N N -1.474 117.168 118.700 -0.096 0.000 2.825 62 N HA -0.004 4.769 4.740 0.056 0.000 0.253 62 N C 0.034 175.495 175.510 -0.080 0.000 1.426 62 N CA -0.885 52.121 53.050 -0.074 0.000 0.851 62 N CB 0.880 39.357 38.487 -0.017 0.000 1.470 62 N HN 0.629 nan 8.380 nan 0.000 0.517 63 E N -0.192 119.975 120.200 -0.055 0.000 2.118 63 E HA -0.275 4.108 4.350 0.056 0.000 0.195 63 E C 1.005 177.530 176.600 -0.125 0.000 0.992 63 E CA 1.421 57.783 56.400 -0.064 0.000 0.804 63 E CB 0.113 29.800 29.700 -0.022 0.000 0.741 63 E HN 0.502 nan 8.360 nan 0.000 0.458 64 K N 0.717 121.008 120.400 -0.182 0.000 2.031 64 K HA -0.074 4.279 4.320 0.056 0.000 0.205 64 K C 2.103 178.527 176.600 -0.292 0.000 1.049 64 K CA 1.139 57.217 56.287 -0.348 0.000 0.939 64 K CB -0.433 31.707 32.500 -0.599 0.000 0.717 64 K HN 0.173 nan 8.250 nan 0.000 0.438 65 L N 0.892 121.957 121.223 -0.264 0.000 2.042 65 L HA -0.225 4.149 4.340 0.056 0.000 0.210 65 L C 1.906 178.656 176.870 -0.200 0.000 1.076 65 L CA 1.329 55.990 54.840 -0.298 0.000 0.749 65 L CB -0.609 41.269 42.059 -0.302 0.000 0.893 65 L HN 0.273 nan 8.230 nan 0.000 0.432 66 N N -0.250 118.359 118.700 -0.151 0.000 2.120 66 N HA -0.162 4.612 4.740 0.056 0.000 0.188 66 N C 2.049 177.496 175.510 -0.105 0.000 1.024 66 N CA 1.720 54.704 53.050 -0.109 0.000 0.852 66 N CB -0.456 37.980 38.487 -0.084 0.000 1.003 66 N HN 0.366 nan 8.380 nan 0.000 0.424 67 S N 0.311 115.938 115.700 -0.123 0.000 2.474 67 S HA 0.023 4.527 4.470 0.056 0.000 0.235 67 S C 1.801 176.334 174.600 -0.112 0.000 0.997 67 S CA 0.412 58.547 58.200 -0.109 0.000 0.949 67 S CB -0.476 62.653 63.200 -0.117 0.000 0.766 67 S HN 0.245 nan 8.310 nan 0.000 0.517 68 L N 0.805 121.945 121.223 -0.138 0.000 2.610 68 L HA 0.181 4.554 4.340 0.056 0.000 0.232 68 L C 2.592 179.410 176.870 -0.086 0.000 1.149 68 L CA 0.532 55.299 54.840 -0.122 0.000 0.872 68 L CB -0.364 41.602 42.059 -0.154 0.000 0.992 68 L HN 0.263 nan 8.230 nan 0.000 0.447 69 E N 0.989 121.143 120.200 -0.077 0.000 2.204 69 E HA -0.240 4.144 4.350 0.056 0.000 0.195 69 E C 1.674 178.251 176.600 -0.039 0.000 0.990 69 E CA 1.334 57.702 56.400 -0.053 0.000 0.821 69 E CB -0.056 29.616 29.700 -0.047 0.000 0.750 69 E HN 0.564 nan 8.360 nan 0.000 0.477 70 D N -0.581 119.793 120.400 -0.042 0.000 2.264 70 D HA -0.128 4.545 4.640 0.056 0.000 0.208 70 D C 1.560 177.842 176.300 -0.031 0.000 0.966 70 D CA 1.427 55.407 54.000 -0.034 0.000 0.864 70 D CB -0.199 40.580 40.800 -0.035 0.000 0.933 70 D HN 0.288 nan 8.370 nan 0.000 0.499 71 V N -3.651 116.242 119.914 -0.034 0.000 3.556 71 V HA 0.336 4.490 4.120 0.056 0.000 0.287 71 V C 0.844 176.926 176.094 -0.019 0.000 1.422 71 V CA -0.701 61.583 62.300 -0.027 0.000 1.038 71 V CB -0.418 31.388 31.823 -0.027 0.000 0.850 71 V HN -0.167 nan 8.190 nan 0.000 0.437 72 R N 2.266 122.754 120.500 -0.020 0.000 2.489 72 R HA 0.368 4.742 4.340 0.056 0.000 0.287 72 R C -0.144 176.154 176.300 -0.004 0.000 1.053 72 R CA 0.184 56.281 56.100 -0.006 0.000 1.036 72 R CB 0.640 30.936 30.300 -0.007 0.000 0.966 72 R HN 0.396 nan 8.270 nan 0.000 0.432 73 K N 1.521 121.923 120.400 0.003 0.000 2.376 73 K HA 0.319 4.673 4.320 0.056 0.000 0.257 73 K C -0.018 176.592 176.600 0.018 0.000 0.939 73 K CA -0.462 55.816 56.287 -0.016 0.000 0.809 73 K CB 1.741 34.216 32.500 -0.041 0.000 1.121 73 K HN 0.716 nan 8.250 nan 0.000 0.425 74 G N 0.606 109.432 108.800 0.044 0.000 2.504 74 G HA2 0.227 4.221 3.960 0.056 0.000 0.257 74 G HA3 0.227 4.221 3.960 0.056 0.000 0.257 74 G C 0.382 175.382 174.900 0.165 0.000 1.451 74 G CA 0.335 45.516 45.100 0.135 0.000 1.059 74 G HN 0.729 nan 8.290 nan 0.000 0.550 75 S N -2.731 113.157 115.700 0.313 0.000 2.323 75 S HA 0.092 4.595 4.470 0.056 0.000 0.233 75 S C 0.169 174.941 174.600 0.286 0.000 0.898 75 S CA -0.090 58.289 58.200 0.298 0.000 1.321 75 S CB -0.040 63.248 63.200 0.145 0.000 0.921 75 S HN 0.493 nan 8.310 nan 0.000 0.398 76 E N 3.108 123.396 120.200 0.145 0.000 2.415 76 E HA 0.346 4.730 4.350 0.056 0.000 0.263 76 E C -0.194 176.311 176.600 -0.159 0.000 0.995 76 E CA 0.179 56.588 56.400 0.016 0.000 0.915 76 E CB 0.070 29.773 29.700 0.005 0.000 0.951 76 E HN 0.394 nan 8.360 nan 0.000 0.449 77 N N 0.709 119.333 118.700 -0.127 0.000 2.909 77 N HA -0.210 4.564 4.740 0.056 0.000 0.242 77 N C -1.060 174.300 175.510 -0.250 0.000 0.975 77 N CA 1.118 54.045 53.050 -0.205 0.000 0.921 77 N CB -1.281 37.047 38.487 -0.265 0.000 1.112 77 N HN 0.383 nan 8.380 nan 0.000 0.581 78 Y N 0.701 121.007 120.300 0.010 0.000 2.419 78 Y HA 0.627 5.212 4.550 0.057 0.000 0.328 78 Y C 0.940 176.844 175.900 0.006 0.000 1.162 78 Y CA -0.616 57.489 58.100 0.008 0.000 1.174 78 Y CB 0.979 39.444 38.460 0.009 0.000 1.228 78 Y HN 0.116 nan 8.280 nan 0.000 0.473 79 A N 2.634 125.570 122.820 0.194 0.000 2.388 79 A HA 0.388 4.741 4.320 0.056 0.000 0.257 79 A C -0.655 176.978 177.584 0.082 0.000 1.095 79 A CA -0.515 51.584 52.037 0.103 0.000 0.791 79 A CB 0.020 19.068 19.000 0.079 0.000 1.029 79 A HN 0.693 nan 8.150 nan 0.000 0.489 80 L N 3.135 124.388 121.223 0.049 0.000 2.455 80 L HA 0.453 4.827 4.340 0.056 0.000 0.272 80 L C 0.742 177.622 176.870 0.017 0.000 1.174 80 L CA 1.336 56.192 54.840 0.026 0.000 0.869 80 L CB 0.260 42.325 42.059 0.010 0.000 1.130 80 L HN 0.907 nan 8.230 nan 0.000 0.474 81 T N 0.526 115.085 114.554 0.007 0.000 2.901 81 T HA 0.654 5.037 4.350 0.056 0.000 0.293 81 T C 0.205 174.908 174.700 0.005 0.000 1.084 81 T CA -0.173 61.934 62.100 0.011 0.000 1.008 81 T CB 1.092 69.968 68.868 0.014 0.000 1.170 81 T HN 0.828 nan 8.240 nan 0.000 0.509 82 T N 0.635 115.206 114.554 0.028 0.000 2.667 82 T HA 0.170 4.553 4.350 0.056 0.000 0.305 82 T C 1.139 175.857 174.700 0.030 0.000 1.022 82 T CA -0.390 61.735 62.100 0.041 0.000 0.995 82 T CB -0.112 68.823 68.868 0.112 0.000 1.026 82 T HN 0.589 nan 8.240 nan 0.000 0.527 83 N N 0.546 119.267 118.700 0.035 0.000 2.453 83 N HA -0.071 4.703 4.740 0.056 0.000 0.183 83 N C 1.514 177.044 175.510 0.035 0.000 1.041 83 N CA 0.618 53.683 53.050 0.024 0.000 0.900 83 N CB -0.157 38.354 38.487 0.041 0.000 0.961 83 N HN 0.565 nan 8.380 nan 0.000 0.443 84 Q N -0.551 119.282 119.800 0.055 0.000 2.320 84 Q HA 0.196 4.570 4.340 0.056 0.000 0.201 84 Q C 0.801 176.824 176.000 0.038 0.000 0.910 84 Q CA 0.111 55.942 55.803 0.046 0.000 0.946 84 Q CB 0.458 29.230 28.738 0.057 0.000 1.062 84 Q HN 0.386 nan 8.270 nan 0.000 0.503 85 G N 0.583 109.404 108.800 0.035 0.000 2.143 85 G HA2 -0.246 3.748 3.960 0.056 0.000 0.249 85 G HA3 -0.246 3.748 3.960 0.056 0.000 0.249 85 G C 0.145 175.071 174.900 0.043 0.000 0.981 85 G CA 0.197 45.313 45.100 0.026 0.000 0.665 85 G HN 0.235 nan 8.290 nan 0.000 0.528 86 V N 1.714 121.671 119.914 0.071 0.000 2.461 86 V HA 0.344 4.497 4.120 0.056 0.000 0.275 86 V C 1.296 177.430 176.094 0.068 0.000 1.047 86 V CA -0.559 61.794 62.300 0.089 0.000 0.955 86 V CB 1.101 33.024 31.823 0.167 0.000 0.988 86 V HN 0.397 nan 8.190 nan 0.000 0.471 87 R N 4.581 125.114 120.500 0.054 0.000 2.489 87 R HA 0.330 4.704 4.340 0.056 0.000 0.287 87 R C -0.502 175.813 176.300 0.026 0.000 1.053 87 R CA -0.098 56.024 56.100 0.037 0.000 1.036 87 R CB 0.477 30.798 30.300 0.035 0.000 0.966 87 R HN 0.576 nan 8.270 nan 0.000 0.432 88 I N 2.460 123.033 120.570 0.005 0.000 2.342 88 I HA 0.067 4.271 4.170 0.056 0.000 0.291 88 I C 1.149 177.257 176.117 -0.016 0.000 1.010 88 I CA 0.089 61.376 61.300 -0.021 0.000 1.308 88 I CB 1.721 39.698 38.000 -0.038 0.000 1.400 88 I HN 0.774 nan 8.210 nan 0.000 0.488 89 A N 4.376 127.183 122.820 -0.021 0.000 1.903 89 A HA -0.023 4.331 4.320 0.056 0.000 0.213 89 A C 0.761 178.330 177.584 -0.024 0.000 1.185 89 A CA 1.016 53.043 52.037 -0.016 0.000 0.628 89 A CB 0.028 19.021 19.000 -0.011 0.000 0.830 89 A HN 0.692 nan 8.150 nan 0.000 0.446 90 D N -0.703 119.674 120.400 -0.038 0.000 2.421 90 D HA 0.314 4.988 4.640 0.056 0.000 0.254 90 D C -1.300 174.968 176.300 -0.053 0.000 1.238 90 D CA -0.381 53.594 54.000 -0.040 0.000 0.919 90 D CB 1.172 41.948 40.800 -0.039 0.000 1.152 90 D HN 0.069 nan 8.370 nan 0.000 0.552 91 D N 2.026 122.398 120.400 -0.046 0.000 2.395 91 D HA 0.040 4.714 4.640 0.056 0.000 0.226 91 D C 0.719 176.988 176.300 -0.052 0.000 1.146 91 D CA 0.302 54.270 54.000 -0.052 0.000 0.830 91 D CB 0.516 41.290 40.800 -0.043 0.000 0.958 91 D HN 0.236 nan 8.370 nan 0.000 0.501 92 Q N -0.672 119.099 119.800 -0.049 0.000 2.350 92 Q HA 0.250 4.624 4.340 0.056 0.000 0.225 92 Q C -0.100 175.870 176.000 -0.050 0.000 0.878 92 Q CA 0.238 56.013 55.803 -0.047 0.000 0.935 92 Q CB 0.730 29.445 28.738 -0.038 0.000 1.099 92 Q HN 0.186 nan 8.270 nan 0.000 0.527 93 N N 0.213 118.881 118.700 -0.053 0.000 2.264 93 N HA 0.291 5.065 4.740 0.056 0.000 0.288 93 N C -1.013 174.462 175.510 -0.058 0.000 1.094 93 N CA -0.216 52.804 53.050 -0.050 0.000 0.817 93 N CB 2.176 40.639 38.487 -0.041 0.000 1.604 93 N HN -0.160 nan 8.380 nan 0.000 0.473 94 S N 0.786 116.454 115.700 -0.053 0.000 2.603 94 S HA 0.251 4.755 4.470 0.056 0.000 0.268 94 S C 0.189 174.762 174.600 -0.045 0.000 1.317 94 S CA -0.533 57.635 58.200 -0.053 0.000 1.012 94 S CB 0.675 63.850 63.200 -0.042 0.000 0.926 94 S HN 0.391 nan 8.310 nan 0.000 0.539 95 L N 3.347 124.543 121.223 -0.045 0.000 2.319 95 L HA 0.423 4.797 4.340 0.056 0.000 0.280 95 L C 0.095 176.956 176.870 -0.016 0.000 1.099 95 L CA 0.349 55.171 54.840 -0.030 0.000 0.828 95 L CB -0.078 41.965 42.059 -0.027 0.000 1.150 95 L HN 0.734 nan 8.230 nan 0.000 0.442 96 R N 4.190 124.683 120.500 -0.011 0.000 2.808 96 R HA 0.866 5.239 4.340 0.056 0.000 0.272 96 R C -1.109 175.190 176.300 -0.002 0.000 0.995 96 R CA -0.851 55.246 56.100 -0.006 0.000 0.917 96 R CB 1.133 31.427 30.300 -0.010 0.000 1.217 96 R HN 0.597 nan 8.270 nan 0.000 0.471 97 A N 1.396 124.216 122.820 0.001 0.000 2.539 97 A HA 0.563 4.916 4.320 0.056 0.000 0.306 97 A C 0.667 178.251 177.584 -0.000 0.000 1.392 97 A CA 0.393 52.432 52.037 0.002 0.000 1.060 97 A CB -0.974 18.029 19.000 0.004 0.000 1.134 97 A HN 1.248 nan 8.150 nan 0.000 0.542 98 G N 1.429 110.228 108.800 -0.001 0.000 2.705 98 G HA2 0.026 4.019 3.960 0.056 0.000 0.686 98 G HA3 0.026 4.019 3.960 0.056 0.000 0.686 98 G C 0.709 175.606 174.900 -0.005 0.000 1.285 98 G CA 0.180 45.278 45.100 -0.003 0.000 0.800 98 G HN 1.914 nan 8.290 nan 0.000 0.611 99 S N 0.038 115.734 115.700 -0.007 0.000 2.507 99 S HA -0.005 4.499 4.470 0.056 0.000 0.235 99 S C 1.548 176.142 174.600 -0.010 0.000 0.988 99 S CA 1.434 59.629 58.200 -0.009 0.000 0.944 99 S CB 0.087 63.281 63.200 -0.010 0.000 0.762 99 S HN 0.741 nan 8.310 nan 0.000 0.526 100 R N 0.920 121.415 120.500 -0.008 0.000 2.633 100 R HA 0.343 4.717 4.340 0.056 0.000 0.348 100 R C 0.847 177.143 176.300 -0.006 0.000 1.100 100 R CA 0.007 56.102 56.100 -0.008 0.000 1.068 100 R CB 0.735 31.031 30.300 -0.007 0.000 1.351 100 R HN 0.460 nan 8.270 nan 0.000 0.575 101 G N 1.489 110.285 108.800 -0.006 0.000 2.557 101 G HA2 0.378 4.372 3.960 0.056 0.000 0.302 101 G HA3 0.378 4.372 3.960 0.056 0.000 0.302 101 G C -2.397 172.500 174.900 -0.004 0.000 1.311 101 G CA -1.068 44.030 45.100 -0.004 0.000 1.030 101 G HN -0.083 nan 8.290 nan 0.000 0.509 102 P HA 0.221 nan 4.420 nan 0.000 0.275 102 P C -0.166 177.133 177.300 -0.001 0.000 1.228 102 P CA -0.090 63.010 63.100 -0.001 0.000 0.786 102 P CB 0.764 32.465 31.700 0.002 0.000 0.927 103 T N 2.711 117.263 114.554 -0.002 0.000 2.901 103 T HA 0.239 4.623 4.350 0.056 0.000 0.301 103 T C 0.495 175.198 174.700 0.005 0.000 1.012 103 T CA -0.075 62.023 62.100 -0.003 0.000 1.135 103 T CB -0.065 68.799 68.868 -0.007 0.000 0.936 103 T HN 0.186 nan 8.240 nan 0.000 0.539 104 L N 3.682 124.910 121.223 0.008 0.000 2.334 104 L HA 0.299 4.673 4.340 0.056 0.000 0.277 104 L C 1.395 178.282 176.870 0.028 0.000 1.075 104 L CA -0.808 54.043 54.840 0.018 0.000 0.804 104 L CB 0.863 42.935 42.059 0.022 0.000 1.174 104 L HN 0.499 nan 8.230 nan 0.000 0.438 105 L N 2.457 123.700 121.223 0.034 0.000 2.191 105 L HA -0.188 4.186 4.340 0.056 0.000 0.212 105 L C 2.270 179.180 176.870 0.068 0.000 1.103 105 L CA 1.661 56.528 54.840 0.044 0.000 0.769 105 L CB -0.606 41.477 42.059 0.040 0.000 0.908 105 L HN 0.798 nan 8.230 nan 0.000 0.438 106 E N -1.657 118.587 120.200 0.073 0.000 2.511 106 E HA -0.149 4.235 4.350 0.056 0.000 0.196 106 E C 0.200 176.906 176.600 0.177 0.000 1.066 106 E CA 0.143 56.615 56.400 0.120 0.000 0.871 106 E CB -0.466 29.296 29.700 0.103 0.000 0.863 106 E HN 0.346 nan 8.360 nan 0.000 0.520 107 D N 1.279 121.734 120.400 0.092 0.000 2.498 107 D HA -0.046 4.628 4.640 0.056 0.000 0.229 107 D C 0.409 176.724 176.300 0.025 0.000 1.188 107 D CA -0.466 53.540 54.000 0.010 0.000 1.028 107 D CB -0.214 40.563 40.800 -0.038 0.000 1.087 107 D HN 0.322 nan 8.370 nan 0.000 0.510 108 F N 1.737 121.696 119.950 0.015 0.000 2.456 108 F HA 0.094 4.655 4.527 0.056 0.000 0.298 108 F C 1.593 177.406 175.800 0.021 0.000 1.104 108 F CA 0.058 58.070 58.000 0.020 0.000 1.435 108 F CB -0.598 38.413 39.000 0.019 0.000 1.078 108 F HN 0.165 nan 8.300 nan 0.000 0.546 109 I N 0.447 120.595 120.570 -0.703 0.000 2.193 109 I HA -0.205 3.999 4.170 0.056 0.000 0.240 109 I C 2.512 178.523 176.117 -0.176 0.000 1.084 109 I CA 1.102 62.135 61.300 -0.446 0.000 1.365 109 I CB -0.593 37.089 38.000 -0.531 0.000 1.064 109 I HN 0.276 nan 8.210 nan 0.000 0.410 110 L N 1.238 122.366 121.223 -0.157 0.000 1.990 110 L HA -0.238 4.136 4.340 0.056 0.000 0.213 110 L C 2.664 179.524 176.870 -0.016 0.000 1.072 110 L CA 1.945 56.739 54.840 -0.076 0.000 0.755 110 L CB -0.593 41.428 42.059 -0.064 0.000 0.889 110 L HN 0.062 nan 8.230 nan 0.000 0.432 111 R N -0.662 119.847 120.500 0.016 0.000 2.096 111 R HA -0.180 4.194 4.340 0.056 0.000 0.235 111 R C 2.336 178.692 176.300 0.094 0.000 1.127 111 R CA 1.524 57.663 56.100 0.065 0.000 0.968 111 R CB -0.404 29.949 30.300 0.089 0.000 0.861 111 R HN 0.601 nan 8.270 nan 0.000 0.440 112 E N 1.111 121.371 120.200 0.101 0.000 2.077 112 E HA -0.241 4.143 4.350 0.056 0.000 0.193 112 E C 1.927 178.605 176.600 0.129 0.000 0.989 112 E CA 1.264 57.741 56.400 0.128 0.000 0.800 112 E CB 0.112 29.892 29.700 0.134 0.000 0.746 112 E HN 0.163 nan 8.360 nan 0.000 0.452 113 K N 0.286 120.731 120.400 0.076 0.000 2.025 113 K HA -0.135 4.218 4.320 0.056 0.000 0.207 113 K C 2.151 178.826 176.600 0.126 0.000 1.049 113 K CA 1.275 57.605 56.287 0.071 0.000 0.933 113 K CB -0.032 32.468 32.500 0.001 0.000 0.714 113 K HN 0.125 nan 8.250 nan 0.000 0.438 114 I N 1.452 122.077 120.570 0.092 0.000 2.286 114 I HA -0.201 4.003 4.170 0.056 0.000 0.248 114 I C 2.150 178.381 176.117 0.189 0.000 1.115 114 I CA 1.410 62.785 61.300 0.125 0.000 1.392 114 I CB -1.545 36.490 38.000 0.059 0.000 1.065 114 I HN 0.240 nan 8.210 nan 0.000 0.418 115 T N -0.286 114.371 114.554 0.172 0.000 2.720 115 T HA -0.221 4.163 4.350 0.056 0.000 0.268 115 T C 1.958 176.804 174.700 0.244 0.000 1.037 115 T CA 1.436 63.662 62.100 0.210 0.000 1.144 115 T CB -0.425 68.569 68.868 0.210 0.000 0.864 115 T HN 0.351 nan 8.240 nan 0.000 0.444 116 H N -0.012 119.155 119.070 0.162 0.000 2.326 116 H HA -0.056 4.535 4.556 0.057 0.000 0.301 116 H C 2.203 177.588 175.328 0.095 0.000 1.081 116 H CA 1.586 57.712 56.048 0.130 0.000 1.334 116 H CB -0.504 29.315 29.762 0.094 0.000 1.385 116 H HN 0.382 nan 8.280 nan 0.000 0.504 117 F N 2.230 122.255 119.950 0.125 0.000 2.065 117 F HA -0.251 4.312 4.527 0.059 0.000 0.298 117 F C 2.045 177.799 175.800 -0.076 0.000 1.112 117 F CA 2.038 60.054 58.000 0.026 0.000 1.212 117 F CB -0.419 38.586 39.000 0.009 0.000 0.975 117 F HN 0.098 nan 8.300 nan 0.000 0.476 118 D N -1.180 119.147 120.400 -0.122 0.000 2.265 118 D HA -0.160 4.514 4.640 0.056 0.000 0.208 118 D C 1.260 177.161 176.300 -0.665 0.000 0.977 118 D CA 1.268 55.025 54.000 -0.405 0.000 0.871 118 D CB -0.399 40.150 40.800 -0.420 0.000 0.925 118 D HN 0.514 nan 8.370 nan 0.000 0.485 119 H N -0.459 118.500 119.070 -0.184 0.000 2.475 119 H HA 0.228 4.817 4.556 0.056 0.000 0.276 119 H C 1.003 176.182 175.328 -0.249 0.000 1.126 119 H CA -0.112 55.824 56.048 -0.188 0.000 1.023 119 H CB 0.498 30.168 29.762 -0.153 0.000 1.669 119 H HN 0.267 nan 8.280 nan 0.000 0.573 120 E N 0.656 120.702 120.200 -0.257 0.000 2.150 120 E HA -0.035 4.349 4.350 0.056 0.000 0.193 120 E C 0.510 176.964 176.600 -0.244 0.000 0.985 120 E CA 0.524 56.746 56.400 -0.297 0.000 0.814 120 E CB 0.478 29.975 29.700 -0.338 0.000 0.752 120 E HN 0.154 nan 8.360 nan 0.000 0.466 121 R N 1.168 121.583 120.500 -0.141 0.000 2.410 121 R HA 0.373 4.747 4.340 0.056 0.000 0.288 121 R C 0.401 176.742 176.300 0.069 0.000 1.051 121 R CA -0.274 55.815 56.100 -0.019 0.000 1.021 121 R CB 0.816 31.095 30.300 -0.035 0.000 1.032 121 R HN 0.154 nan 8.270 nan 0.000 0.481 122 I N -1.058 119.614 120.570 0.170 0.000 2.957 122 I HA 0.595 4.799 4.170 0.056 0.000 0.310 122 I C -2.257 173.924 176.117 0.106 0.000 1.063 122 I CA -2.949 58.437 61.300 0.144 0.000 1.033 122 I CB 1.862 39.978 38.000 0.193 0.000 1.230 122 I HN 0.250 nan 8.210 nan 0.000 0.447 123 P HA 0.092 nan 4.420 nan 0.000 0.265 123 P C -0.845 176.488 177.300 0.055 0.000 1.193 123 P CA -0.047 63.083 63.100 0.051 0.000 0.765 123 P CB 0.413 32.133 31.700 0.033 0.000 0.823 124 E N 2.689 122.924 120.200 0.058 0.000 2.376 124 E HA 0.212 4.596 4.350 0.056 0.000 0.254 124 E C -0.440 176.189 176.600 0.049 0.000 1.213 124 E CA -0.859 55.580 56.400 0.064 0.000 0.945 124 E CB 0.596 30.340 29.700 0.075 0.000 1.057 124 E HN 0.254 nan 8.360 nan 0.000 0.479 125 R N 0.418 120.953 120.500 0.058 0.000 2.623 125 R HA 0.017 4.391 4.340 0.056 0.000 0.271 125 R C 1.384 177.722 176.300 0.063 0.000 1.043 125 R CA -0.434 55.698 56.100 0.053 0.000 1.083 125 R CB 0.284 30.633 30.300 0.082 0.000 0.974 125 R HN 0.555 nan 8.270 nan 0.000 0.436 126 I N 1.692 122.294 120.570 0.053 0.000 2.208 126 I HA -0.160 4.044 4.170 0.056 0.000 0.245 126 I C 1.234 177.411 176.117 0.100 0.000 1.097 126 I CA 1.618 62.960 61.300 0.070 0.000 1.363 126 I CB -1.088 36.958 38.000 0.077 0.000 1.051 126 I HN 0.404 nan 8.210 nan 0.000 0.413 127 V N -3.554 116.453 119.914 0.155 0.000 3.102 127 V HA 0.513 4.667 4.120 0.056 0.000 0.312 127 V C 0.430 176.700 176.094 0.292 0.000 1.135 127 V CA -0.833 61.590 62.300 0.204 0.000 1.022 127 V CB 1.835 33.850 31.823 0.321 0.000 1.056 127 V HN 0.440 nan 8.190 nan 0.000 0.436 128 H N 0.236 119.376 119.070 0.117 0.000 2.899 128 H HA -0.224 4.363 4.556 0.052 0.000 0.282 128 H C 1.560 176.939 175.328 0.084 0.000 1.198 128 H CA 0.792 56.901 56.048 0.101 0.000 1.140 128 H CB -1.273 28.536 29.762 0.079 0.000 1.317 128 H HN 1.179 nan 8.280 nan 0.000 0.375 129 A N 0.817 123.729 122.820 0.153 0.000 2.019 129 A HA -0.111 4.243 4.320 0.056 0.000 0.219 129 A C 1.678 179.352 177.584 0.150 0.000 1.164 129 A CA 1.346 53.462 52.037 0.132 0.000 0.644 129 A CB -0.117 18.941 19.000 0.097 0.000 0.805 129 A HN 0.276 nan 8.150 nan 0.000 0.449 130 R N 0.058 120.649 120.500 0.150 0.000 2.207 130 R HA 0.522 4.896 4.340 0.056 0.000 0.334 130 R C -0.099 176.327 176.300 0.209 0.000 1.013 130 R CA 0.708 56.915 56.100 0.179 0.000 0.858 130 R CB 0.386 30.778 30.300 0.154 0.000 1.094 130 R HN 0.303 nan 8.270 nan 0.000 0.457 131 G N 0.761 109.708 108.800 0.245 0.000 2.677 131 G HA2 0.538 4.532 3.960 0.056 0.000 0.291 131 G HA3 0.538 4.532 3.960 0.056 0.000 0.291 131 G C -1.621 173.434 174.900 0.258 0.000 1.435 131 G CA -0.601 44.609 45.100 0.182 0.000 0.826 131 G HN 0.503 nan 8.290 nan 0.000 0.491 132 S N -1.169 114.625 115.700 0.156 0.000 2.548 132 S HA 0.885 5.389 4.470 0.056 0.000 0.276 132 S C -0.246 174.362 174.600 0.013 0.000 1.129 132 S CA -0.102 58.260 58.200 0.271 0.000 0.931 132 S CB 1.753 65.217 63.200 0.440 0.000 1.068 132 S HN 1.636 nan 8.310 nan 0.000 0.480 133 A N 1.430 124.225 122.820 -0.042 0.000 2.527 133 A HA 1.043 5.397 4.320 0.056 0.000 0.293 133 A C -0.958 176.420 177.584 -0.343 0.000 1.117 133 A CA -0.660 51.109 52.037 -0.447 0.000 0.723 133 A CB 1.626 20.166 19.000 -0.768 0.000 1.313 133 A HN 1.434 nan 8.150 nan 0.000 0.411 134 A N 0.363 122.833 122.820 -0.583 0.000 2.610 134 A HA 0.729 5.083 4.320 0.056 0.000 0.291 134 A C -1.169 176.244 177.584 -0.285 0.000 1.086 134 A CA -0.649 51.225 52.037 -0.272 0.000 0.677 134 A CB 0.752 19.679 19.000 -0.120 0.000 1.278 134 A HN 0.881 nan 8.150 nan 0.000 0.414 135 H N -0.448 118.659 119.070 0.061 0.000 2.488 135 H HA 0.704 5.295 4.556 0.058 0.000 0.347 135 H C 0.605 175.938 175.328 0.008 0.000 1.174 135 H CA 0.782 56.918 56.048 0.147 0.000 1.307 135 H CB 1.869 31.709 29.762 0.129 0.000 1.517 135 H HN 1.160 nan 8.280 nan 0.000 0.554 136 G N 0.547 109.450 108.800 0.171 0.000 2.510 136 G HA2 0.342 4.336 3.960 0.056 0.000 0.277 136 G HA3 0.342 4.336 3.960 0.056 0.000 0.277 136 G C -2.023 173.007 174.900 0.217 0.000 1.223 136 G CA -0.575 44.581 45.100 0.093 0.000 0.887 136 G HN 0.624 nan 8.290 nan 0.000 0.485 137 Y N -1.732 118.607 120.300 0.064 0.000 2.597 137 Y HA 0.840 5.424 4.550 0.056 0.000 0.340 137 Y C -1.827 174.214 175.900 0.235 0.000 1.097 137 Y CA -2.016 56.168 58.100 0.141 0.000 1.037 137 Y CB 1.850 40.364 38.460 0.089 0.000 1.305 137 Y HN 0.804 nan 8.280 nan 0.000 0.463 138 F N 2.184 122.306 119.950 0.287 0.000 2.563 138 F HA 0.700 5.263 4.527 0.059 0.000 0.316 138 F C -1.210 174.821 175.800 0.384 0.000 1.076 138 F CA -0.586 57.596 58.000 0.304 0.000 0.921 138 F CB 2.359 41.673 39.000 0.522 0.000 1.209 138 F HN 0.794 nan 8.300 nan 0.000 0.462 139 Q N 7.056 126.338 119.800 -0.864 0.000 2.284 139 Q HA 0.483 4.857 4.340 0.056 0.000 0.269 139 Q C -2.946 172.490 176.000 -0.940 0.000 1.026 139 Q CA -2.309 53.157 55.803 -0.561 0.000 0.831 139 Q CB 2.960 31.658 28.738 -0.068 0.000 1.322 139 Q HN 0.332 nan 8.270 nan 0.000 0.419 140 P HA 0.020 nan 4.420 nan 0.000 0.274 140 P C -0.478 176.758 177.300 -0.106 0.000 1.246 140 P CA 0.176 63.076 63.100 -0.334 0.000 0.795 140 P CB 0.454 32.115 31.700 -0.065 0.000 1.006 141 Y N 0.061 120.311 120.300 -0.083 0.000 2.519 141 Y HA 0.001 4.586 4.550 0.058 0.000 0.287 141 Y C 1.381 177.260 175.900 -0.036 0.000 1.128 141 Y CA 0.085 58.154 58.100 -0.050 0.000 1.282 141 Y CB 0.359 38.797 38.460 -0.037 0.000 1.027 141 Y HN 0.373 nan 8.280 nan 0.000 0.551 142 K N -1.148 119.324 120.400 0.120 0.000 2.642 142 K HA 0.248 4.602 4.320 0.056 0.000 0.290 142 K C -1.181 175.432 176.600 0.021 0.000 1.006 142 K CA -0.838 55.486 56.287 0.062 0.000 0.869 142 K CB 1.173 33.711 32.500 0.062 0.000 1.499 142 K HN -0.244 nan 8.250 nan 0.000 0.403 143 S N 1.207 116.914 115.700 0.012 0.000 2.533 143 S HA 0.182 4.685 4.470 0.056 0.000 0.282 143 S C 0.458 175.051 174.600 -0.012 0.000 1.304 143 S CA -0.633 57.565 58.200 -0.004 0.000 1.063 143 S CB -0.156 63.043 63.200 -0.001 0.000 0.881 143 S HN 0.529 nan 8.310 nan 0.000 0.493 144 L N 4.772 125.976 121.223 -0.032 0.000 2.791 144 L HA 0.144 4.518 4.340 0.056 0.000 0.239 144 L C 1.762 178.614 176.870 -0.029 0.000 1.203 144 L CA -0.182 54.644 54.840 -0.023 0.000 1.002 144 L CB -0.193 41.855 42.059 -0.018 0.000 1.295 144 L HN 0.632 nan 8.230 nan 0.000 0.504 145 S N -0.177 115.505 115.700 -0.031 0.000 2.440 145 S HA -0.173 4.331 4.470 0.056 0.000 0.238 145 S C 1.276 175.858 174.600 -0.030 0.000 1.010 145 S CA 1.162 59.341 58.200 -0.034 0.000 0.972 145 S CB -0.140 63.045 63.200 -0.025 0.000 0.774 145 S HN 0.484 nan 8.310 nan 0.000 0.501 146 D N 1.643 122.031 120.400 -0.020 0.000 2.218 146 D HA -0.039 4.635 4.640 0.056 0.000 0.204 146 D C 1.761 178.043 176.300 -0.030 0.000 0.976 146 D CA 0.987 54.975 54.000 -0.020 0.000 0.853 146 D CB -0.152 40.642 40.800 -0.010 0.000 0.939 146 D HN 0.672 nan 8.370 nan 0.000 0.481 147 I N -4.396 116.157 120.570 -0.029 0.000 4.312 147 I HA 0.224 4.428 4.170 0.056 0.000 0.324 147 I C 0.460 176.532 176.117 -0.074 0.000 1.298 147 I CA 0.004 61.278 61.300 -0.044 0.000 1.231 147 I CB 1.137 39.132 38.000 -0.009 0.000 1.152 147 I HN -0.259 nan 8.210 nan 0.000 0.421 148 T N 1.607 116.120 114.554 -0.068 0.000 2.956 148 T HA 0.317 4.701 4.350 0.056 0.000 0.312 148 T C 0.028 174.671 174.700 -0.096 0.000 1.151 148 T CA -0.715 61.324 62.100 -0.102 0.000 1.024 148 T CB 1.750 70.545 68.868 -0.121 0.000 1.140 148 T HN 0.426 nan 8.240 nan 0.000 0.473 149 K N 2.550 122.892 120.400 -0.098 0.000 2.458 149 K HA 0.532 4.886 4.320 0.056 0.000 0.194 149 K C 0.712 177.269 176.600 -0.071 0.000 1.024 149 K CA -0.291 55.952 56.287 -0.074 0.000 1.108 149 K CB 0.214 32.676 32.500 -0.063 0.000 0.846 149 K HN 0.477 nan 8.250 nan 0.000 0.518 150 A N 2.185 124.938 122.820 -0.111 0.000 2.522 150 A HA -0.048 4.306 4.320 0.056 0.000 0.256 150 A C 0.538 178.082 177.584 -0.066 0.000 1.086 150 A CA 0.090 52.071 52.037 -0.092 0.000 0.763 150 A CB 0.084 18.957 19.000 -0.211 0.000 1.024 150 A HN 0.498 nan 8.150 nan 0.000 0.502 151 D N 2.184 122.627 120.400 0.072 0.000 2.178 151 D HA -0.208 4.466 4.640 0.056 0.000 0.201 151 D C 1.294 177.668 176.300 0.124 0.000 0.980 151 D CA 2.026 56.078 54.000 0.086 0.000 0.842 151 D CB -0.236 40.637 40.800 0.121 0.000 0.948 151 D HN 0.724 nan 8.370 nan 0.000 0.472 152 F N -0.650 119.323 119.950 0.037 0.000 2.699 152 F HA 0.184 4.745 4.527 0.058 0.000 0.298 152 F C 0.903 176.795 175.800 0.154 0.000 1.154 152 F CA 0.298 58.362 58.000 0.106 0.000 1.457 152 F CB -0.209 38.856 39.000 0.108 0.000 1.106 152 F HN -0.075 nan 8.300 nan 0.000 0.585 153 L N 0.902 121.808 121.223 -0.529 0.000 2.872 153 L HA 0.216 4.590 4.340 0.056 0.000 0.245 153 L C 1.731 178.511 176.870 -0.151 0.000 1.211 153 L CA 0.234 54.844 54.840 -0.384 0.000 1.013 153 L CB -0.092 41.624 42.059 -0.571 0.000 1.326 153 L HN 0.308 nan 8.230 nan 0.000 0.525 154 S N -2.285 113.373 115.700 -0.071 0.000 2.524 154 S HA 0.064 4.568 4.470 0.056 0.000 0.216 154 S C 0.299 174.897 174.600 -0.003 0.000 0.987 154 S CA -0.092 58.089 58.200 -0.032 0.000 0.909 154 S CB 0.084 63.279 63.200 -0.008 0.000 0.781 154 S HN 0.417 nan 8.310 nan 0.000 0.521 155 D N 0.321 120.729 120.400 0.013 0.000 2.878 155 D HA 0.318 4.992 4.640 0.056 0.000 0.211 155 D C -2.648 173.672 176.300 0.033 0.000 1.271 155 D CA -1.563 52.452 54.000 0.025 0.000 0.845 155 D CB 1.746 42.567 40.800 0.034 0.000 1.679 155 D HN -0.191 nan 8.370 nan 0.000 0.536 156 P HA -0.049 nan 4.420 nan 0.000 0.225 156 P C 0.186 177.509 177.300 0.039 0.000 1.148 156 P CA 0.896 64.017 63.100 0.035 0.000 0.779 156 P CB 0.109 31.838 31.700 0.049 0.000 0.780 157 N N -0.829 117.895 118.700 0.041 0.000 2.322 157 N HA 0.033 4.807 4.740 0.056 0.000 0.194 157 N C 0.540 176.084 175.510 0.057 0.000 1.126 157 N CA -0.147 52.928 53.050 0.042 0.000 0.845 157 N CB 0.015 38.521 38.487 0.032 0.000 0.976 157 N HN 0.090 nan 8.380 nan 0.000 0.475 158 K N 1.635 122.082 120.400 0.077 0.000 2.285 158 K HA 0.201 4.555 4.320 0.056 0.000 0.286 158 K C -1.047 175.651 176.600 0.163 0.000 1.072 158 K CA -0.387 55.971 56.287 0.119 0.000 0.913 158 K CB 0.407 32.993 32.500 0.142 0.000 1.067 158 K HN -0.085 nan 8.250 nan 0.000 0.479 159 I N 3.496 124.162 120.570 0.161 0.000 2.336 159 I HA 0.172 4.376 4.170 0.056 0.000 0.292 159 I C -0.007 176.279 176.117 0.282 0.000 0.991 159 I CA -0.350 61.074 61.300 0.206 0.000 1.227 159 I CB 1.702 39.756 38.000 0.090 0.000 1.366 159 I HN 0.463 nan 8.210 nan 0.000 0.466 160 T N 8.151 122.962 114.554 0.429 0.000 2.772 160 T HA 0.438 4.822 4.350 0.056 0.000 0.288 160 T C -2.510 172.455 174.700 0.442 0.000 0.994 160 T CA -1.321 61.055 62.100 0.460 0.000 0.951 160 T CB 1.421 70.675 68.868 0.642 0.000 0.933 160 T HN 0.220 nan 8.240 nan 0.000 0.447 161 P HA 0.267 nan 4.420 nan 0.000 0.269 161 P C -0.651 176.894 177.300 0.409 0.000 1.215 161 P CA -0.417 62.879 63.100 0.326 0.000 0.780 161 P CB 0.530 32.338 31.700 0.180 0.000 0.898 162 V N -0.695 119.407 119.914 0.313 0.000 3.130 162 V HA 0.747 4.901 4.120 0.056 0.000 0.310 162 V C -1.400 174.870 176.094 0.292 0.000 1.158 162 V CA -0.946 61.444 62.300 0.150 0.000 1.029 162 V CB 2.265 33.955 31.823 -0.221 0.000 1.057 162 V HN 0.337 nan 8.190 nan 0.000 0.436 163 F N 1.899 121.839 119.950 -0.016 0.000 2.539 163 F HA 0.846 5.405 4.527 0.053 0.000 0.318 163 F C -0.952 174.753 175.800 -0.157 0.000 1.135 163 F CA -0.823 57.110 58.000 -0.112 0.000 0.915 163 F CB 2.037 40.999 39.000 -0.063 0.000 1.176 163 F HN 0.520 nan 8.300 nan 0.000 0.440 164 V N 6.810 126.266 119.914 -0.763 0.000 2.448 164 V HA 0.546 4.700 4.120 0.056 0.000 0.295 164 V C -0.612 174.796 176.094 -1.143 0.000 1.025 164 V CA -0.782 60.992 62.300 -0.877 0.000 0.859 164 V CB 1.842 33.103 31.823 -0.937 0.000 0.988 164 V HN 0.745 nan 8.190 nan 0.000 0.431 165 R N 4.001 123.821 120.500 -1.133 0.000 2.437 165 R HA 0.630 5.004 4.340 0.056 0.000 0.310 165 R C -1.515 174.155 176.300 -1.050 0.000 0.955 165 R CA -0.425 55.096 56.100 -0.965 0.000 0.851 165 R CB 1.130 31.031 30.300 -0.665 0.000 1.161 165 R HN 0.537 nan 8.270 nan 0.000 0.446 166 F N 1.817 121.353 119.950 -0.691 0.000 2.432 166 F HA 0.502 5.064 4.527 0.058 0.000 0.329 166 F C 0.461 175.917 175.800 -0.573 0.000 1.076 166 F CA -0.244 57.240 58.000 -0.860 0.000 1.018 166 F CB 2.136 40.103 39.000 -1.722 0.000 1.201 166 F HN 0.609 nan 8.300 nan 0.000 0.489 167 S N -1.006 114.634 115.700 -0.100 0.000 2.588 167 S HA 0.635 5.139 4.470 0.056 0.000 0.269 167 S C -0.573 174.168 174.600 0.235 0.000 1.157 167 S CA -0.848 57.426 58.200 0.123 0.000 0.824 167 S CB 1.373 64.685 63.200 0.187 0.000 1.126 167 S HN 0.720 nan 8.310 nan 0.000 0.464 168 T N -1.353 113.334 114.554 0.222 0.000 2.924 168 T HA 0.695 5.079 4.350 0.056 0.000 0.301 168 T C 0.769 175.443 174.700 -0.043 0.000 1.120 168 T CA -0.013 62.177 62.100 0.151 0.000 0.940 168 T CB 0.197 69.158 68.868 0.155 0.000 1.591 168 T HN 0.689 nan 8.240 nan 0.000 0.578 169 V N -0.319 119.529 119.914 -0.110 0.000 3.103 169 V HA 0.152 4.306 4.120 0.056 0.000 0.229 169 V C 2.626 178.661 176.094 -0.099 0.000 1.304 169 V CA 0.204 62.315 62.300 -0.315 0.000 1.298 169 V CB -0.016 31.698 31.823 -0.181 0.000 1.093 169 V HN 0.835 nan 8.190 nan 0.000 0.489 170 Q N 1.136 120.912 119.800 -0.041 0.000 2.123 170 Q HA 0.090 4.464 4.340 0.056 0.000 0.196 170 Q C 1.226 177.212 176.000 -0.024 0.000 0.958 170 Q CA 1.357 57.134 55.803 -0.042 0.000 0.841 170 Q CB -0.041 28.655 28.738 -0.069 0.000 0.915 170 Q HN 0.585 nan 8.270 nan 0.000 0.455 171 G N -0.151 108.647 108.800 -0.002 0.000 2.539 171 G HA2 0.430 4.424 3.960 0.056 0.000 0.258 171 G HA3 0.430 4.424 3.960 0.056 0.000 0.258 171 G C 0.134 175.046 174.900 0.021 0.000 1.202 171 G CA 0.047 45.149 45.100 0.002 0.000 0.851 171 G HN 0.316 nan 8.290 nan 0.000 0.556 172 G N -0.907 107.900 108.800 0.012 0.000 2.631 172 G HA2 0.457 4.451 3.960 0.056 0.000 0.271 172 G HA3 0.457 4.451 3.960 0.056 0.000 0.271 172 G C 1.356 176.290 174.900 0.056 0.000 1.302 172 G CA 0.443 45.561 45.100 0.029 0.000 1.002 172 G HN 1.062 nan 8.290 nan 0.000 0.519 173 A N -0.906 121.957 122.820 0.072 0.000 2.015 173 A HA 0.143 4.497 4.320 0.056 0.000 0.219 173 A C 2.278 179.906 177.584 0.074 0.000 1.163 173 A CA 1.945 54.045 52.037 0.105 0.000 0.646 173 A CB -0.425 18.654 19.000 0.132 0.000 0.806 173 A HN 1.083 nan 8.150 nan 0.000 0.448 174 G N -0.131 108.694 108.800 0.041 0.000 3.141 174 G HA2 0.307 4.301 3.960 0.056 0.000 0.218 174 G HA3 0.307 4.301 3.960 0.056 0.000 0.218 174 G C 0.751 175.656 174.900 0.009 0.000 1.170 174 G CA 0.658 45.767 45.100 0.014 0.000 0.769 174 G HN 0.651 nan 8.290 nan 0.000 0.546 175 S N -0.265 115.448 115.700 0.022 0.000 2.661 175 S HA 0.751 5.255 4.470 0.056 0.000 0.265 175 S C 0.412 175.027 174.600 0.026 0.000 1.225 175 S CA -0.145 58.063 58.200 0.014 0.000 0.986 175 S CB 1.599 64.808 63.200 0.015 0.000 1.008 175 S HN 0.507 nan 8.310 nan 0.000 0.565 176 A N 0.057 122.887 122.820 0.017 0.000 2.286 176 A HA 0.460 4.814 4.320 0.056 0.000 0.286 176 A C 0.545 178.151 177.584 0.037 0.000 1.097 176 A CA -0.596 51.448 52.037 0.011 0.000 0.821 176 A CB -0.036 18.952 19.000 -0.021 0.000 1.076 176 A HN 0.852 nan 8.150 nan 0.000 0.490 177 D N 0.313 120.724 120.400 0.019 0.000 2.120 177 D HA -0.058 4.616 4.640 0.056 0.000 0.202 177 D C 1.653 177.932 176.300 -0.034 0.000 0.972 177 D CA 2.227 56.253 54.000 0.043 0.000 0.837 177 D CB -0.272 40.520 40.800 -0.012 0.000 0.989 177 D HN 0.675 nan 8.370 nan 0.000 0.469 178 T N -0.027 114.421 114.554 -0.177 0.000 3.406 178 T HA 0.251 4.635 4.350 0.056 0.000 0.244 178 T C 0.855 175.533 174.700 -0.037 0.000 0.949 178 T CA -0.538 61.444 62.100 -0.196 0.000 0.926 178 T CB -1.046 67.631 68.868 -0.319 0.000 1.089 178 T HN -0.074 nan 8.240 nan 0.000 0.604 179 V N -1.245 118.701 119.914 0.053 0.000 3.185 179 V HA 0.420 4.574 4.120 0.056 0.000 0.305 179 V C 0.726 176.957 176.094 0.228 0.000 1.090 179 V CA -1.439 60.941 62.300 0.134 0.000 1.107 179 V CB 0.390 32.282 31.823 0.115 0.000 1.061 179 V HN 0.548 nan 8.190 nan 0.000 0.480 180 R N 1.757 122.457 120.500 0.333 0.000 2.248 180 R HA 0.435 4.809 4.340 0.056 0.000 0.328 180 R C -0.938 175.440 176.300 0.129 0.000 1.067 180 R CA 0.007 56.245 56.100 0.230 0.000 0.924 180 R CB 0.079 30.439 30.300 0.100 0.000 1.013 180 R HN 1.054 nan 8.270 nan 0.000 0.454 181 D N 3.296 123.784 120.400 0.147 0.000 2.710 181 D HA 0.191 4.865 4.640 0.056 0.000 0.276 181 D C -0.605 175.806 176.300 0.184 0.000 1.267 181 D CA -0.615 53.465 54.000 0.132 0.000 0.772 181 D CB 1.201 42.072 40.800 0.118 0.000 1.299 181 D HN 0.222 nan 8.370 nan 0.000 0.421 182 I N 1.382 122.079 120.570 0.211 0.000 2.779 182 I HA 0.214 4.418 4.170 0.056 0.000 0.285 182 I C 0.859 177.112 176.117 0.227 0.000 1.134 182 I CA 0.003 61.438 61.300 0.224 0.000 1.398 182 I CB 0.045 38.209 38.000 0.272 0.000 1.404 182 I HN 0.247 nan 8.210 nan 0.000 0.587 183 R N 2.706 123.362 120.500 0.260 0.000 2.711 183 R HA 0.580 4.954 4.340 0.056 0.000 0.284 183 R C -0.051 176.440 176.300 0.319 0.000 0.968 183 R CA -0.748 55.524 56.100 0.286 0.000 0.924 183 R CB 1.510 32.001 30.300 0.318 0.000 1.162 183 R HN 0.804 nan 8.270 nan 0.000 0.465 184 G N 0.618 109.629 108.800 0.352 0.000 2.476 184 G HA2 0.520 4.514 3.960 0.056 0.000 0.286 184 G HA3 0.520 4.514 3.960 0.056 0.000 0.286 184 G C -1.303 173.699 174.900 0.169 0.000 1.177 184 G CA -0.048 45.237 45.100 0.310 0.000 0.870 184 G HN 0.350 nan 8.290 nan 0.000 0.528 185 F N 1.116 120.974 119.950 -0.153 0.000 3.361 185 F HA 0.602 5.162 4.527 0.054 0.000 0.390 185 F C -0.339 175.180 175.800 -0.469 0.000 1.251 185 F CA -1.696 56.116 58.000 -0.313 0.000 1.260 185 F CB 0.874 39.815 39.000 -0.098 0.000 1.847 185 F HN 0.688 nan 8.300 nan 0.000 0.673 186 A N 3.269 125.822 122.820 -0.445 0.000 2.303 186 A HA 0.794 5.148 4.320 0.056 0.000 0.320 186 A C -0.590 176.557 177.584 -0.728 0.000 1.192 186 A CA -0.438 51.175 52.037 -0.707 0.000 0.821 186 A CB 0.843 19.081 19.000 -1.269 0.000 1.188 186 A HN 0.511 nan 8.150 nan 0.000 0.492 187 T N 2.335 116.620 114.554 -0.449 0.000 2.812 187 T HA 0.403 4.787 4.350 0.056 0.000 0.282 187 T C -0.304 174.193 174.700 -0.338 0.000 0.990 187 T CA -0.499 61.328 62.100 -0.455 0.000 0.960 187 T CB 1.102 69.603 68.868 -0.612 0.000 0.948 187 T HN 0.657 nan 8.240 nan 0.000 0.438 188 K N 3.512 123.799 120.400 -0.187 0.000 2.253 188 K HA 0.445 4.799 4.320 0.056 0.000 0.277 188 K C -1.308 174.942 176.600 -0.584 0.000 1.053 188 K CA -0.580 55.491 56.287 -0.361 0.000 0.892 188 K CB 0.357 32.579 32.500 -0.464 0.000 1.102 188 K HN 0.388 nan 8.250 nan 0.000 0.469 189 F N 4.359 124.002 119.950 -0.511 0.000 2.391 189 F HA 0.240 4.799 4.527 0.054 0.000 0.359 189 F C -0.467 175.116 175.800 -0.361 0.000 1.122 189 F CA -0.605 57.165 58.000 -0.383 0.000 1.120 189 F CB 0.719 39.387 39.000 -0.554 0.000 1.142 189 F HN 0.449 nan 8.300 nan 0.000 0.483 190 Y N 1.955 122.307 120.300 0.087 0.000 2.632 190 Y HA 0.229 4.814 4.550 0.059 0.000 0.336 190 Y C 1.038 176.991 175.900 0.089 0.000 1.237 190 Y CA -0.835 57.300 58.100 0.059 0.000 1.595 190 Y CB -0.229 38.256 38.460 0.042 0.000 1.508 190 Y HN 0.555 nan 8.280 nan 0.000 0.480 191 T N -2.592 112.059 114.554 0.162 0.000 2.862 191 T HA 0.207 4.591 4.350 0.056 0.000 0.276 191 T C 0.956 175.753 174.700 0.161 0.000 0.974 191 T CA -0.726 61.476 62.100 0.170 0.000 0.966 191 T CB 1.121 70.061 68.868 0.121 0.000 1.072 191 T HN 0.614 nan 8.240 nan 0.000 0.538 192 E N -0.220 120.079 120.200 0.166 0.000 2.427 192 E HA -0.004 4.379 4.350 0.056 0.000 0.196 192 E C 0.946 177.615 176.600 0.116 0.000 1.028 192 E CA 0.567 57.046 56.400 0.132 0.000 0.864 192 E CB 0.146 29.921 29.700 0.125 0.000 0.813 192 E HN 0.701 nan 8.360 nan 0.000 0.514 193 E N 0.134 120.406 120.200 0.120 0.000 2.734 193 E HA 0.256 4.640 4.350 0.056 0.000 0.211 193 E C -0.046 176.608 176.600 0.089 0.000 0.991 193 E CA -0.294 56.170 56.400 0.106 0.000 1.065 193 E CB 1.337 31.103 29.700 0.110 0.000 1.047 193 E HN 0.181 nan 8.360 nan 0.000 0.470 194 G N 1.141 109.987 108.800 0.077 0.000 2.406 194 G HA2 -0.111 3.882 3.960 0.056 0.000 0.680 194 G HA3 -0.111 3.882 3.960 0.056 0.000 0.680 194 G C -0.873 174.037 174.900 0.017 0.000 1.338 194 G CA -1.108 44.014 45.100 0.037 0.000 0.941 194 G HN 0.036 nan 8.290 nan 0.000 0.633 195 I N 0.962 121.505 120.570 -0.046 0.000 2.533 195 I HA 0.316 4.520 4.170 0.056 0.000 0.284 195 I C 0.132 176.251 176.117 0.003 0.000 1.109 195 I CA 0.043 61.284 61.300 -0.099 0.000 1.412 195 I CB 0.701 38.575 38.000 -0.209 0.000 1.396 195 I HN 0.454 nan 8.210 nan 0.000 0.543 196 F N 7.141 126.981 119.950 -0.183 0.000 2.411 196 F HA 0.428 4.988 4.527 0.055 0.000 0.352 196 F C -0.451 175.311 175.800 -0.063 0.000 1.123 196 F CA -1.155 56.738 58.000 -0.179 0.000 1.044 196 F CB 0.667 39.413 39.000 -0.423 0.000 1.135 196 F HN 0.341 nan 8.300 nan 0.000 0.461 197 D N 6.906 127.085 120.400 -0.368 0.000 2.349 197 D HA 0.229 4.903 4.640 0.056 0.000 0.232 197 D C -0.990 174.858 176.300 -0.754 0.000 1.071 197 D CA -0.150 53.584 54.000 -0.442 0.000 0.832 197 D CB 2.017 42.758 40.800 -0.098 0.000 1.086 197 D HN 0.458 nan 8.370 nan 0.000 0.504 198 L N 4.104 124.826 121.223 -0.837 0.000 2.264 198 L HA 0.307 4.681 4.340 0.056 0.000 0.287 198 L C -1.126 175.527 176.870 -0.363 0.000 1.039 198 L CA -0.701 53.737 54.840 -0.670 0.000 0.829 198 L CB 1.052 42.738 42.059 -0.622 0.000 1.211 198 L HN 0.062 nan 8.230 nan 0.000 0.427 199 V N 6.141 125.886 119.914 -0.282 0.000 2.275 199 V HA 0.756 4.910 4.120 0.056 0.000 0.272 199 V C 0.751 176.749 176.094 -0.161 0.000 1.028 199 V CA -0.087 62.052 62.300 -0.269 0.000 0.810 199 V CB 0.415 32.028 31.823 -0.350 0.000 1.043 199 V HN 0.887 nan 8.190 nan 0.000 0.453 200 G N 3.292 112.012 108.800 -0.133 0.000 2.788 200 G HA2 0.671 4.665 3.960 0.056 0.000 0.293 200 G HA3 0.671 4.665 3.960 0.056 0.000 0.293 200 G C -0.962 173.967 174.900 0.049 0.000 1.305 200 G CA -0.606 44.472 45.100 -0.036 0.000 1.005 200 G HN 0.469 nan 8.290 nan 0.000 0.496 201 N N -0.931 117.843 118.700 0.124 0.000 2.701 201 N HA 0.248 5.022 4.740 0.056 0.000 0.290 201 N C 0.353 176.044 175.510 0.301 0.000 1.338 201 N CA -0.749 52.433 53.050 0.221 0.000 0.799 201 N CB 1.424 40.031 38.487 0.200 0.000 1.491 201 N HN 0.544 nan 8.380 nan 0.000 0.540 202 N N -1.307 117.587 118.700 0.323 0.000 2.314 202 N HA -0.010 4.764 4.740 0.056 0.000 0.200 202 N C -0.407 175.360 175.510 0.429 0.000 1.135 202 N CA -0.096 53.200 53.050 0.410 0.000 0.835 202 N CB -0.178 38.526 38.487 0.362 0.000 0.989 202 N HN 0.545 nan 8.380 nan 0.000 0.478 203 T N -3.638 110.978 114.554 0.103 0.000 2.916 203 T HA 0.478 4.862 4.350 0.056 0.000 0.292 203 T C -2.632 171.406 174.700 -1.103 0.000 1.055 203 T CA -1.600 60.088 62.100 -0.687 0.000 1.009 203 T CB 2.993 71.367 68.868 -0.823 0.000 1.118 203 T HN -0.218 nan 8.240 nan 0.000 0.497 204 P HA 0.241 nan 4.420 nan 0.000 0.255 204 P C 0.296 177.072 177.300 -0.874 0.000 1.248 204 P CA -0.035 62.141 63.100 -1.540 0.000 0.807 204 P CB -0.006 30.721 31.700 -1.622 0.000 1.150 205 I N -4.248 115.787 120.570 -0.891 0.000 3.343 205 I HA 0.560 4.764 4.170 0.056 0.000 0.315 205 I C -1.371 174.476 176.117 -0.449 0.000 1.153 205 I CA -1.981 58.951 61.300 -0.613 0.000 0.952 205 I CB 1.333 38.945 38.000 -0.648 0.000 1.287 205 I HN -0.246 nan 8.210 nan 0.000 0.472 206 F N 0.271 119.940 119.950 -0.468 0.000 2.613 206 F HA 0.509 5.075 4.527 0.065 0.000 0.342 206 F C 0.457 176.024 175.800 -0.388 0.000 1.066 206 F CA -0.726 57.036 58.000 -0.396 0.000 1.002 206 F CB 1.852 40.746 39.000 -0.176 0.000 1.319 206 F HN 0.381 nan 8.300 nan 0.000 0.495 207 F N 2.062 121.238 119.950 -1.290 0.000 2.293 207 F HA 0.029 4.587 4.527 0.052 0.000 0.300 207 F C 0.641 176.154 175.800 -0.479 0.000 1.086 207 F CA 0.818 58.250 58.000 -0.947 0.000 1.375 207 F CB -0.137 37.894 39.000 -1.616 0.000 1.045 207 F HN 0.129 nan 8.300 nan 0.000 0.516 208 I N -3.648 116.910 120.570 -0.020 0.000 3.042 208 I HA 0.363 4.567 4.170 0.056 0.000 0.310 208 I C 0.359 176.616 176.117 0.234 0.000 1.117 208 I CA -0.875 60.515 61.300 0.150 0.000 1.003 208 I CB 1.833 39.982 38.000 0.248 0.000 1.228 208 I HN -0.198 nan 8.210 nan 0.000 0.443 209 Q N 0.274 120.211 119.800 0.228 0.000 2.259 209 Q HA 0.126 4.500 4.340 0.056 0.000 0.201 209 Q C -0.281 175.892 176.000 0.287 0.000 0.938 209 Q CA 0.757 56.732 55.803 0.287 0.000 0.872 209 Q CB 0.448 29.420 28.738 0.390 0.000 0.971 209 Q HN 0.639 nan 8.270 nan 0.000 0.494 210 D N -1.178 119.367 120.400 0.242 0.000 2.649 210 D HA 0.298 4.972 4.640 0.056 0.000 0.249 210 D C 0.013 176.441 176.300 0.213 0.000 1.112 210 D CA -0.201 53.914 54.000 0.192 0.000 0.850 210 D CB 1.822 42.711 40.800 0.148 0.000 1.399 210 D HN 0.043 nan 8.370 nan 0.000 0.503 211 A N 3.431 126.347 122.820 0.160 0.000 2.032 211 A HA -0.258 4.096 4.320 0.056 0.000 0.221 211 A C 1.798 179.504 177.584 0.204 0.000 1.165 211 A CA 1.802 53.929 52.037 0.151 0.000 0.645 211 A CB -0.785 18.245 19.000 0.049 0.000 0.807 211 A HN 0.815 nan 8.150 nan 0.000 0.453 212 H N 0.011 119.142 119.070 0.102 0.000 2.457 212 H HA -0.021 4.571 4.556 0.059 0.000 0.297 212 H C 1.560 176.968 175.328 0.134 0.000 1.092 212 H CA 1.896 57.996 56.048 0.087 0.000 1.309 212 H CB 0.055 29.846 29.762 0.047 0.000 1.382 212 H HN 0.403 nan 8.280 nan 0.000 0.535 213 K N -0.622 119.899 120.400 0.203 0.000 2.444 213 K HA -0.038 4.316 4.320 0.056 0.000 0.193 213 K C 1.383 178.120 176.600 0.230 0.000 1.024 213 K CA 0.003 56.408 56.287 0.198 0.000 1.077 213 K CB 0.053 32.723 32.500 0.283 0.000 0.833 213 K HN 0.295 nan 8.250 nan 0.000 0.517 214 F N 2.942 122.946 119.950 0.091 0.000 2.102 214 F HA -0.125 4.421 4.527 0.031 0.000 0.298 214 F C -1.018 174.797 175.800 0.026 0.000 1.105 214 F CA 1.283 59.362 58.000 0.133 0.000 1.239 214 F CB -0.451 38.611 39.000 0.105 0.000 0.991 214 F HN 0.014 nan 8.300 nan 0.000 0.474 215 P HA -0.136 nan 4.420 nan 0.000 0.218 215 P C 0.979 177.968 177.300 -0.518 0.000 1.149 215 P CA 1.696 64.565 63.100 -0.385 0.000 0.817 215 P CB -0.060 31.423 31.700 -0.362 0.000 0.785 216 D N -1.238 119.005 120.400 -0.262 0.000 2.084 216 D HA -0.151 4.523 4.640 0.056 0.000 0.196 216 D C 1.800 177.821 176.300 -0.465 0.000 0.985 216 D CA 1.028 54.912 54.000 -0.192 0.000 0.826 216 D CB -0.866 40.000 40.800 0.110 0.000 0.978 216 D HN 0.153 nan 8.370 nan 0.000 0.456 217 F N 1.823 121.371 119.950 -0.671 0.000 2.095 217 F HA -0.229 4.326 4.527 0.046 0.000 0.298 217 F C 2.237 177.645 175.800 -0.653 0.000 1.104 217 F CA 1.149 58.546 58.000 -1.005 0.000 1.232 217 F CB -0.139 38.509 39.000 -0.587 0.000 0.987 217 F HN -0.246 nan 8.300 nan 0.000 0.475 218 V N 0.174 119.701 119.914 -0.644 0.000 2.358 218 V HA -0.315 3.839 4.120 0.056 0.000 0.246 218 V C 2.262 178.151 176.094 -0.341 0.000 1.047 218 V CA 2.371 64.330 62.300 -0.568 0.000 1.035 218 V CB -0.998 30.505 31.823 -0.533 0.000 0.658 218 V HN 0.457 nan 8.190 nan 0.000 0.452 219 H N -0.157 118.699 119.070 -0.357 0.000 2.387 219 H HA -0.172 4.419 4.556 0.059 0.000 0.299 219 H C 2.318 177.496 175.328 -0.251 0.000 1.099 219 H CA 1.109 57.017 56.048 -0.233 0.000 1.315 219 H CB 0.021 29.696 29.762 -0.146 0.000 1.380 219 H HN 0.491 nan 8.280 nan 0.000 0.513 220 A N 0.407 123.044 122.820 -0.306 0.000 1.898 220 A HA -0.112 4.242 4.320 0.056 0.000 0.216 220 A C 2.523 179.950 177.584 -0.262 0.000 1.181 220 A CA 1.418 53.266 52.037 -0.315 0.000 0.620 220 A CB -0.704 17.973 19.000 -0.539 0.000 0.819 220 A HN 0.303 nan 8.150 nan 0.000 0.442 221 V N -0.211 119.426 119.914 -0.461 0.000 2.649 221 V HA -0.004 4.150 4.120 0.056 0.000 0.248 221 V C 0.933 177.003 176.094 -0.040 0.000 1.054 221 V CA 0.858 62.967 62.300 -0.318 0.000 1.073 221 V CB -0.462 30.977 31.823 -0.639 0.000 0.699 221 V HN 0.337 nan 8.190 nan 0.000 0.463 222 K N 0.910 121.252 120.400 -0.097 0.000 2.187 222 K HA 0.211 4.565 4.320 0.056 0.000 0.247 222 K C -2.273 174.285 176.600 -0.070 0.000 1.019 222 K CA -1.572 54.671 56.287 -0.073 0.000 0.893 222 K CB -0.392 32.059 32.500 -0.081 0.000 1.025 222 K HN 0.170 nan 8.250 nan 0.000 0.500 223 P HA -0.015 nan 4.420 nan 0.000 0.266 223 P C -0.525 176.720 177.300 -0.091 0.000 1.195 223 P CA 0.409 63.378 63.100 -0.217 0.000 0.768 223 P CB 0.381 31.960 31.700 -0.201 0.000 0.838 224 E N 5.073 125.269 120.200 -0.008 0.000 2.383 224 E HA 0.010 4.393 4.350 0.056 0.000 0.264 224 E C -1.283 175.411 176.600 0.157 0.000 1.050 224 E CA -1.332 55.175 56.400 0.179 0.000 0.896 224 E CB 0.139 30.075 29.700 0.394 0.000 0.982 224 E HN 0.420 nan 8.360 nan 0.000 0.424 225 P HA -0.185 nan 4.420 nan 0.000 0.222 225 P C 0.989 178.363 177.300 0.124 0.000 1.153 225 P CA 1.301 64.449 63.100 0.080 0.000 0.798 225 P CB 0.047 31.769 31.700 0.036 0.000 0.796 226 H N -0.692 118.426 119.070 0.080 0.000 2.326 226 H HA -0.085 4.504 4.556 0.055 0.000 0.301 226 H C 1.373 176.811 175.328 0.184 0.000 1.081 226 H CA 1.466 57.549 56.048 0.058 0.000 1.334 226 H CB -1.320 28.406 29.762 -0.060 0.000 1.385 226 H HN 0.305 nan 8.280 nan 0.000 0.504 227 W N -0.207 120.711 121.300 -0.637 0.000 2.714 227 W HA 0.707 5.399 4.660 0.054 0.000 0.353 227 W C 0.454 176.807 176.519 -0.276 0.000 0.999 227 W CA -1.215 55.893 57.345 -0.396 0.000 1.629 227 W CB -0.763 28.435 29.460 -0.437 0.000 1.106 227 W HN 0.436 nan 8.180 nan 0.000 0.545 228 A N 1.247 124.033 122.820 -0.056 0.000 2.667 228 A HA -0.155 4.199 4.320 0.056 0.000 0.298 228 A C -0.407 176.935 177.584 -0.403 0.000 1.483 228 A CA 1.464 53.394 52.037 -0.179 0.000 0.738 228 A CB -2.399 16.528 19.000 -0.123 0.000 1.067 228 A HN 0.471 nan 8.150 nan 0.000 0.451 229 I N 0.344 120.513 120.570 -0.668 0.000 2.730 229 I HA 0.563 4.766 4.170 0.056 0.000 0.298 229 I C -2.448 173.357 176.117 -0.519 0.000 1.089 229 I CA -2.526 58.296 61.300 -0.796 0.000 1.041 229 I CB 2.900 39.932 38.000 -1.614 0.000 1.235 229 I HN 0.180 nan 8.210 nan 0.000 0.423 230 P HA 0.304 nan 4.420 nan 0.000 0.292 230 P C -1.571 175.562 177.300 -0.280 0.000 1.300 230 P CA -0.852 62.027 63.100 -0.369 0.000 0.900 230 P CB 1.422 32.981 31.700 -0.235 0.000 1.139 231 Q N 0.837 120.520 119.800 -0.194 0.000 2.286 231 Q HA 0.480 4.854 4.340 0.056 0.000 0.257 231 Q C 1.118 177.077 176.000 -0.069 0.000 0.941 231 Q CA 1.068 56.795 55.803 -0.127 0.000 0.912 231 Q CB -0.341 28.334 28.738 -0.105 0.000 1.192 231 Q HN 0.821 nan 8.270 nan 0.000 0.410 232 G N 3.247 112.018 108.800 -0.049 0.000 2.160 232 G HA2 -0.287 3.706 3.960 0.056 0.000 0.251 232 G HA3 -0.287 3.706 3.960 0.056 0.000 0.251 232 G C -0.369 174.542 174.900 0.019 0.000 1.008 232 G CA 0.465 45.563 45.100 -0.005 0.000 0.724 232 G HN 0.543 nan 8.290 nan 0.000 0.514 233 Q N -0.797 119.001 119.800 -0.004 0.000 2.305 233 Q HA 0.541 4.915 4.340 0.056 0.000 0.271 233 Q C 0.847 176.857 176.000 0.017 0.000 1.046 233 Q CA -0.085 55.743 55.803 0.042 0.000 0.798 233 Q CB 1.783 30.584 28.738 0.106 0.000 1.286 233 Q HN 0.423 nan 8.270 nan 0.000 0.435 234 S N -0.258 115.345 115.700 -0.162 0.000 2.603 234 S HA 0.134 4.638 4.470 0.056 0.000 0.220 234 S C 0.954 175.487 174.600 -0.112 0.000 0.967 234 S CA 0.044 57.917 58.200 -0.546 0.000 0.920 234 S CB 0.229 62.542 63.200 -1.479 0.000 0.773 234 S HN 0.591 nan 8.310 nan 0.000 0.529 235 A N 2.323 125.283 122.820 0.234 0.000 3.063 235 A HA 0.513 4.867 4.320 0.056 0.000 0.263 235 A C 0.119 177.957 177.584 0.423 0.000 1.736 235 A CA -0.599 51.664 52.037 0.376 0.000 1.408 235 A CB -1.225 17.957 19.000 0.304 0.000 1.108 235 A HN 0.891 nan 8.150 nan 0.000 0.621 236 H N -3.625 115.641 119.070 0.327 0.000 3.037 236 H HA 0.477 5.066 4.556 0.054 0.000 0.336 236 H C -0.270 175.251 175.328 0.322 0.000 1.323 236 H CA -0.738 55.467 56.048 0.262 0.000 1.159 236 H CB 0.244 30.118 29.762 0.187 0.000 1.882 236 H HN 0.066 nan 8.280 nan 0.000 0.535 237 D N 0.369 120.939 120.400 0.282 0.000 2.106 237 D HA -0.228 4.446 4.640 0.056 0.000 0.191 237 D C 2.176 178.537 176.300 0.102 0.000 0.997 237 D CA 3.268 57.372 54.000 0.173 0.000 0.834 237 D CB -0.424 40.458 40.800 0.138 0.000 0.956 237 D HN 0.795 nan 8.370 nan 0.000 0.448 238 T N -1.562 113.055 114.554 0.106 0.000 2.788 238 T HA -0.224 4.160 4.350 0.056 0.000 0.268 238 T C 1.920 176.551 174.700 -0.115 0.000 1.044 238 T CA 0.849 62.969 62.100 0.034 0.000 1.139 238 T CB -0.738 68.198 68.868 0.113 0.000 0.867 238 T HN 0.153 nan 8.240 nan 0.000 0.454 239 F N 0.795 120.422 119.950 -0.538 0.000 2.075 239 F HA 0.075 4.633 4.527 0.052 0.000 0.297 239 F C 1.907 177.427 175.800 -0.468 0.000 1.113 239 F CA 0.770 58.367 58.000 -0.672 0.000 1.218 239 F CB -0.658 37.736 39.000 -1.011 0.000 0.984 239 F HN 0.169 nan 8.300 nan 0.000 0.472 240 W N 0.494 121.732 121.300 -0.103 0.000 2.467 240 W HA -0.098 4.600 4.660 0.063 0.000 0.275 240 W C 2.305 178.750 176.519 -0.123 0.000 1.239 240 W CA 0.926 58.206 57.345 -0.108 0.000 1.266 240 W CB -0.550 28.929 29.460 0.031 0.000 1.112 240 W HN 0.076 nan 8.180 nan 0.000 0.576 241 D N -0.604 119.837 120.400 0.069 0.000 2.084 241 D HA -0.285 4.389 4.640 0.056 0.000 0.194 241 D C 1.880 178.191 176.300 0.019 0.000 0.990 241 D CA 1.452 55.477 54.000 0.043 0.000 0.826 241 D CB -0.583 40.250 40.800 0.056 0.000 0.971 241 D HN 0.168 nan 8.370 nan 0.000 0.453 242 Y N 0.506 120.699 120.300 -0.178 0.000 2.097 242 Y HA -0.231 4.354 4.550 0.059 0.000 0.282 242 Y C 2.302 178.065 175.900 -0.228 0.000 1.152 242 Y CA 1.673 59.651 58.100 -0.203 0.000 1.136 242 Y CB -0.457 37.845 38.460 -0.264 0.000 0.975 242 Y HN -0.104 nan 8.280 nan 0.000 0.498 243 V N 0.084 119.893 119.914 -0.174 0.000 2.287 243 V HA -0.356 3.798 4.120 0.056 0.000 0.248 243 V C 2.603 178.656 176.094 -0.068 0.000 1.053 243 V CA 2.256 64.445 62.300 -0.185 0.000 1.027 243 V CB -1.300 30.307 31.823 -0.360 0.000 0.646 243 V HN 0.668 nan 8.190 nan 0.000 0.447 244 S N -0.265 115.438 115.700 0.004 0.000 2.442 244 S HA -0.079 4.425 4.470 0.056 0.000 0.236 244 S C 1.655 176.232 174.600 -0.038 0.000 1.007 244 S CA 1.444 59.663 58.200 0.033 0.000 0.965 244 S CB -0.453 62.789 63.200 0.071 0.000 0.773 244 S HN 0.571 nan 8.310 nan 0.000 0.504 245 L N -0.093 121.060 121.223 -0.116 0.000 2.640 245 L HA 0.355 4.729 4.340 0.056 0.000 0.230 245 L C 0.467 177.177 176.870 -0.267 0.000 1.123 245 L CA 0.035 54.779 54.840 -0.159 0.000 0.900 245 L CB 0.128 42.096 42.059 -0.152 0.000 1.146 245 L HN 0.234 nan 8.230 nan 0.000 0.484 246 Q N 0.260 119.864 119.800 -0.326 0.000 3.429 246 Q HA 0.223 4.597 4.340 0.056 0.000 0.237 246 Q C -1.962 173.824 176.000 -0.357 0.000 0.932 246 Q CA -1.351 54.207 55.803 -0.409 0.000 0.731 246 Q CB 1.434 29.800 28.738 -0.619 0.000 1.383 246 Q HN -0.014 nan 8.270 nan 0.000 0.446 247 P HA -0.225 nan 4.420 nan 0.000 0.223 247 P C 1.001 178.004 177.300 -0.496 0.000 1.144 247 P CA 1.131 64.000 63.100 -0.384 0.000 0.783 247 P CB 0.248 31.719 31.700 -0.382 0.000 0.771 248 E N 0.692 120.445 120.200 -0.744 0.000 2.209 248 E HA -0.188 4.196 4.350 0.056 0.000 0.196 248 E C 1.516 178.064 176.600 -0.086 0.000 0.993 248 E CA 1.908 58.118 56.400 -0.318 0.000 0.819 248 E CB -1.396 28.190 29.700 -0.190 0.000 0.745 248 E HN 0.290 nan 8.360 nan 0.000 0.477 249 T N -0.532 113.978 114.554 -0.073 0.000 3.051 249 T HA -0.019 4.364 4.350 0.056 0.000 0.269 249 T C 1.940 176.721 174.700 0.135 0.000 1.127 249 T CA 0.557 62.692 62.100 0.057 0.000 1.107 249 T CB -0.329 68.593 68.868 0.091 0.000 0.898 249 T HN 0.155 nan 8.240 nan 0.000 0.517 250 L N -0.147 121.153 121.223 0.129 0.000 2.141 250 L HA -0.046 4.328 4.340 0.056 0.000 0.209 250 L C 2.841 179.887 176.870 0.292 0.000 1.094 250 L CA 1.665 56.651 54.840 0.243 0.000 0.763 250 L CB -0.699 41.510 42.059 0.250 0.000 0.908 250 L HN 0.478 nan 8.230 nan 0.000 0.437 251 H N 0.028 119.150 119.070 0.086 0.000 2.270 251 H HA -0.208 4.383 4.556 0.057 0.000 0.299 251 H C 2.170 177.499 175.328 0.002 0.000 1.077 251 H CA 1.810 57.901 56.048 0.072 0.000 1.294 251 H CB 0.218 29.980 29.762 -0.000 0.000 1.371 251 H HN 0.347 nan 8.280 nan 0.000 0.491 252 N N -0.101 118.432 118.700 -0.278 0.000 2.223 252 N HA -0.139 4.635 4.740 0.056 0.000 0.185 252 N C 1.966 177.310 175.510 -0.277 0.000 1.016 252 N CA 0.868 53.528 53.050 -0.651 0.000 0.863 252 N CB 0.229 37.842 38.487 -1.457 0.000 0.983 252 N HN 0.130 nan 8.380 nan 0.000 0.429 253 V N 1.783 121.769 119.914 0.121 0.000 2.343 253 V HA -0.261 3.893 4.120 0.056 0.000 0.247 253 V C 2.507 178.753 176.094 0.254 0.000 1.051 253 V CA 1.276 63.797 62.300 0.369 0.000 1.036 253 V CB -0.368 31.730 31.823 0.457 0.000 0.654 253 V HN 0.385 nan 8.190 nan 0.000 0.451 254 M N -1.526 118.259 119.600 0.310 0.000 2.082 254 M HA -0.238 4.276 4.480 0.056 0.000 0.258 254 M C 2.102 178.412 176.300 0.017 0.000 1.069 254 M CA 2.037 57.512 55.300 0.293 0.000 1.102 254 M CB -1.295 31.515 32.600 0.350 0.000 1.336 254 M HN 0.468 nan 8.290 nan 0.000 0.404 255 W N 0.593 121.635 121.300 -0.429 0.000 2.335 255 W HA -0.139 4.558 4.660 0.060 0.000 0.311 255 W C 2.865 179.315 176.519 -0.115 0.000 1.213 255 W CA 1.988 59.056 57.345 -0.462 0.000 1.274 255 W CB -1.185 27.925 29.460 -0.583 0.000 1.148 255 W HN 0.316 nan 8.180 nan 0.000 0.498 256 A N -0.750 122.148 122.820 0.130 0.000 1.933 256 A HA -0.181 4.173 4.320 0.056 0.000 0.218 256 A C 1.947 179.575 177.584 0.074 0.000 1.175 256 A CA 1.765 53.883 52.037 0.134 0.000 0.628 256 A CB -0.579 18.546 19.000 0.208 0.000 0.814 256 A HN 0.119 nan 8.150 nan 0.000 0.444 257 M N 0.568 120.173 119.600 0.008 0.000 2.447 257 M HA 0.027 4.541 4.480 0.056 0.000 0.264 257 M C 1.469 177.802 176.300 0.054 0.000 1.095 257 M CA 0.782 56.020 55.300 -0.104 0.000 1.125 257 M CB -1.322 30.954 32.600 -0.540 0.000 1.389 257 M HN 0.543 nan 8.290 nan 0.000 0.459 258 S N 0.298 116.092 115.700 0.157 0.000 2.634 258 S HA 0.078 4.581 4.470 0.056 0.000 0.261 258 S C 0.715 175.434 174.600 0.198 0.000 1.271 258 S CA -0.395 57.934 58.200 0.215 0.000 0.985 258 S CB 0.933 64.305 63.200 0.287 0.000 0.968 258 S HN 0.175 nan 8.310 nan 0.000 0.568 259 D N 0.238 120.775 120.400 0.228 0.000 2.378 259 D HA 0.015 4.689 4.640 0.056 0.000 0.222 259 D C 1.897 178.334 176.300 0.229 0.000 0.980 259 D CA 0.355 54.509 54.000 0.258 0.000 0.907 259 D CB -0.150 40.864 40.800 0.358 0.000 0.899 259 D HN 0.382 nan 8.370 nan 0.000 0.527 260 R N 0.154 120.782 120.500 0.213 0.000 2.127 260 R HA -0.072 4.302 4.340 0.056 0.000 0.238 260 R C 2.078 178.530 176.300 0.253 0.000 1.134 260 R CA 1.136 57.389 56.100 0.254 0.000 0.975 260 R CB -0.863 29.646 30.300 0.348 0.000 0.865 260 R HN 0.193 nan 8.270 nan 0.000 0.447 261 G N 1.274 110.208 108.800 0.224 0.000 2.776 261 G HA2 -0.020 3.974 3.960 0.056 0.000 0.209 261 G HA3 -0.020 3.974 3.960 0.056 0.000 0.209 261 G C 1.035 176.071 174.900 0.227 0.000 1.145 261 G CA 0.098 45.323 45.100 0.209 0.000 0.791 261 G HN 0.423 nan 8.290 nan 0.000 0.530 262 I N -2.275 118.439 120.570 0.241 0.000 2.948 262 I HA 0.354 4.558 4.170 0.056 0.000 0.308 262 I C -2.906 173.364 176.117 0.255 0.000 1.478 262 I CA -2.527 58.923 61.300 0.251 0.000 0.843 262 I CB 1.616 39.766 38.000 0.250 0.000 2.100 262 I HN -0.270 nan 8.210 nan 0.000 0.625 263 P HA 0.067 nan 4.420 nan 0.000 0.268 263 P C 0.601 178.052 177.300 0.252 0.000 1.208 263 P CA -0.124 63.089 63.100 0.188 0.000 0.777 263 P CB 1.002 32.741 31.700 0.064 0.000 0.875 264 R N 1.668 122.298 120.500 0.216 0.000 2.115 264 R HA 0.043 4.417 4.340 0.056 0.000 0.226 264 R C 0.292 176.744 176.300 0.253 0.000 1.100 264 R CA 1.384 57.659 56.100 0.293 0.000 0.980 264 R CB -0.391 30.049 30.300 0.234 0.000 0.875 264 R HN 0.527 nan 8.270 nan 0.000 0.445 265 S N -2.430 113.223 115.700 -0.079 0.000 2.543 265 S HA 0.207 4.711 4.470 0.056 0.000 0.274 265 S C -0.279 174.013 174.600 -0.513 0.000 1.149 265 S CA -0.859 57.129 58.200 -0.354 0.000 0.866 265 S CB 0.099 63.209 63.200 -0.150 0.000 1.111 265 S HN 0.098 nan 8.310 nan 0.000 0.457 266 Y N 2.550 122.463 120.300 -0.646 0.000 2.315 266 Y HA -0.003 4.582 4.550 0.058 0.000 0.288 266 Y C 2.369 177.890 175.900 -0.631 0.000 1.154 266 Y CA 1.313 58.900 58.100 -0.856 0.000 1.229 266 Y CB -0.399 37.152 38.460 -1.515 0.000 0.980 266 Y HN 0.596 nan 8.280 nan 0.000 0.540 267 R N -0.531 119.816 120.500 -0.256 0.000 2.237 267 R HA -0.045 4.329 4.340 0.056 0.000 0.219 267 R C 1.068 177.317 176.300 -0.085 0.000 1.080 267 R CA 1.516 57.523 56.100 -0.155 0.000 0.995 267 R CB -0.464 29.746 30.300 -0.150 0.000 0.875 267 R HN 0.348 nan 8.270 nan 0.000 0.462 268 T N -1.794 112.728 114.554 -0.054 0.000 3.308 268 T HA 0.370 4.754 4.350 0.056 0.000 0.270 268 T C 0.134 174.870 174.700 0.060 0.000 0.992 268 T CA -0.691 61.409 62.100 0.000 0.000 0.931 268 T CB -0.084 68.770 68.868 -0.022 0.000 1.142 268 T HN 0.100 nan 8.240 nan 0.000 0.525 269 M N -1.108 118.567 119.600 0.126 0.000 2.619 269 M HA 0.733 5.247 4.480 0.056 0.000 0.297 269 M C -1.288 175.189 176.300 0.294 0.000 1.229 269 M CA -0.821 54.594 55.300 0.190 0.000 0.860 269 M CB 2.272 34.973 32.600 0.167 0.000 1.741 269 M HN -0.137 nan 8.290 nan 0.000 0.462 270 E N 0.473 120.848 120.200 0.292 0.000 2.314 270 E HA 0.666 5.050 4.350 0.056 0.000 0.262 270 E C -0.329 176.362 176.600 0.152 0.000 1.093 270 E CA -0.576 55.940 56.400 0.193 0.000 0.908 270 E CB 1.748 31.501 29.700 0.088 0.000 1.091 270 E HN 0.858 nan 8.360 nan 0.000 0.425 271 G N 0.713 109.445 108.800 -0.113 0.000 2.519 271 G HA2 0.646 4.640 3.960 0.056 0.000 0.307 271 G HA3 0.646 4.640 3.960 0.056 0.000 0.307 271 G C -1.466 173.043 174.900 -0.653 0.000 1.266 271 G CA -0.468 44.541 45.100 -0.151 0.000 0.970 271 G HN 0.299 nan 8.290 nan 0.000 0.481 272 F N -0.453 119.436 119.950 -0.101 0.000 2.608 272 F HA 0.457 5.016 4.527 0.054 0.000 0.309 272 F C 1.140 176.841 175.800 -0.165 0.000 1.103 272 F CA -0.467 57.389 58.000 -0.240 0.000 0.954 272 F CB 2.415 41.227 39.000 -0.314 0.000 1.267 272 F HN 0.629 nan 8.300 nan 0.000 0.444 273 G N 0.706 109.552 108.800 0.077 0.000 2.471 273 G HA2 0.280 4.274 3.960 0.056 0.000 0.219 273 G HA3 0.280 4.274 3.960 0.056 0.000 0.219 273 G C 1.382 176.328 174.900 0.076 0.000 1.125 273 G CA 0.858 46.063 45.100 0.174 0.000 0.775 273 G HN 1.387 nan 8.290 nan 0.000 0.548 274 G N -0.037 108.723 108.800 -0.066 0.000 3.909 274 G HA2 -0.303 3.691 3.960 0.056 0.000 0.218 274 G HA3 -0.303 3.691 3.960 0.056 0.000 0.218 274 G C 0.534 175.249 174.900 -0.309 0.000 1.404 274 G CA 0.441 45.351 45.100 -0.316 0.000 0.905 274 G HN 0.684 nan 8.290 nan 0.000 0.589 275 H N 1.567 120.649 119.070 0.020 0.000 2.505 275 H HA 0.495 5.084 4.556 0.055 0.000 0.355 275 H C 0.099 175.378 175.328 -0.082 0.000 1.179 275 H CA 0.547 56.525 56.048 -0.117 0.000 1.343 275 H CB 0.547 30.101 29.762 -0.348 0.000 1.501 275 H HN 0.266 nan 8.280 nan 0.000 0.569 276 T N 3.457 117.988 114.554 -0.038 0.000 2.799 276 T HA 0.173 4.557 4.350 0.056 0.000 0.296 276 T C 0.192 174.819 174.700 -0.121 0.000 0.947 276 T CA 0.225 62.284 62.100 -0.068 0.000 1.141 276 T CB -0.328 68.447 68.868 -0.156 0.000 0.891 276 T HN 0.229 nan 8.240 nan 0.000 0.533 277 F N 1.410 121.319 119.950 -0.069 0.000 2.629 277 F HA 0.658 5.217 4.527 0.052 0.000 0.386 277 F C 1.037 176.807 175.800 -0.049 0.000 1.135 277 F CA -1.283 56.706 58.000 -0.018 0.000 1.116 277 F CB 1.349 40.315 39.000 -0.056 0.000 1.426 277 F HN 0.202 nan 8.300 nan 0.000 0.501 278 R N 0.569 121.148 120.500 0.130 0.000 2.686 278 R HA 0.627 5.000 4.340 0.056 0.000 0.286 278 R C -1.625 174.571 176.300 -0.175 0.000 0.969 278 R CA -0.883 55.156 56.100 -0.102 0.000 0.898 278 R CB 1.995 32.165 30.300 -0.217 0.000 1.183 278 R HN 0.416 nan 8.270 nan 0.000 0.456 279 L N 3.367 124.436 121.223 -0.258 0.000 2.325 279 L HA 0.523 4.896 4.340 0.056 0.000 0.279 279 L C -0.337 176.374 176.870 -0.264 0.000 1.054 279 L CA -0.911 53.780 54.840 -0.248 0.000 0.804 279 L CB 1.058 42.971 42.059 -0.243 0.000 1.200 279 L HN 0.349 nan 8.230 nan 0.000 0.436 280 I N 2.391 122.826 120.570 -0.224 0.000 2.436 280 I HA 0.282 4.486 4.170 0.056 0.000 0.289 280 I C -0.245 175.780 176.117 -0.153 0.000 1.010 280 I CA -0.732 60.440 61.300 -0.213 0.000 1.098 280 I CB 1.352 39.233 38.000 -0.199 0.000 1.266 280 I HN 0.636 nan 8.210 nan 0.000 0.434 281 N N 4.879 123.502 118.700 -0.127 0.000 2.476 281 N HA 0.398 5.172 4.740 0.056 0.000 0.287 281 N C 0.852 176.318 175.510 -0.074 0.000 1.262 281 N CA -0.314 52.681 53.050 -0.092 0.000 0.980 281 N CB 0.505 38.947 38.487 -0.076 0.000 1.163 281 N HN 0.518 nan 8.380 nan 0.000 0.592 282 A N -0.466 122.320 122.820 -0.056 0.000 1.972 282 A HA -0.121 4.233 4.320 0.056 0.000 0.219 282 A C 1.629 179.191 177.584 -0.038 0.000 1.169 282 A CA 1.374 53.384 52.037 -0.044 0.000 0.635 282 A CB -0.868 18.113 19.000 -0.033 0.000 0.810 282 A HN 0.801 nan 8.150 nan 0.000 0.446 283 E N -1.500 118.679 120.200 -0.035 0.000 2.482 283 E HA 0.260 4.644 4.350 0.056 0.000 0.196 283 E C 1.202 177.790 176.600 -0.020 0.000 1.047 283 E CA 0.676 57.060 56.400 -0.026 0.000 0.869 283 E CB -0.081 29.605 29.700 -0.023 0.000 0.836 283 E HN 0.751 nan 8.360 nan 0.000 0.520 284 G N 1.522 110.306 108.800 -0.027 0.000 2.157 284 G HA2 -0.348 3.645 3.960 0.056 0.000 0.239 284 G HA3 -0.348 3.645 3.960 0.056 0.000 0.239 284 G C 0.205 175.120 174.900 0.025 0.000 0.982 284 G CA 0.210 45.313 45.100 0.005 0.000 0.650 284 G HN 0.264 nan 8.290 nan 0.000 0.527 285 K N 0.735 121.111 120.400 -0.040 0.000 2.350 285 K HA 0.646 5.000 4.320 0.056 0.000 0.279 285 K C 0.533 176.993 176.600 -0.233 0.000 1.027 285 K CA 0.239 56.474 56.287 -0.088 0.000 0.969 285 K CB 0.562 33.014 32.500 -0.079 0.000 0.954 285 K HN 0.662 nan 8.250 nan 0.000 0.474 286 A N 3.372 125.941 122.820 -0.419 0.000 2.305 286 A HA 0.462 4.816 4.320 0.056 0.000 0.322 286 A C -0.874 176.389 177.584 -0.535 0.000 1.187 286 A CA -0.602 51.035 52.037 -0.667 0.000 0.825 286 A CB 1.304 19.470 19.000 -1.391 0.000 1.164 286 A HN 0.734 nan 8.150 nan 0.000 0.498 287 T N 2.197 116.473 114.554 -0.462 0.000 2.848 287 T HA 0.527 4.911 4.350 0.056 0.000 0.285 287 T C -0.709 173.780 174.700 -0.351 0.000 0.995 287 T CA -0.128 61.755 62.100 -0.361 0.000 0.970 287 T CB 0.470 69.217 68.868 -0.201 0.000 0.976 287 T HN 0.333 nan 8.240 nan 0.000 0.441 288 F N 2.168 122.024 119.950 -0.157 0.000 2.484 288 F HA 0.485 5.045 4.527 0.055 0.000 0.360 288 F C 0.550 176.237 175.800 -0.189 0.000 1.101 288 F CA -0.480 57.426 58.000 -0.157 0.000 1.251 288 F CB 0.609 39.540 39.000 -0.115 0.000 1.132 288 F HN 0.182 nan 8.300 nan 0.000 0.570 289 V N 5.313 125.192 119.914 -0.058 0.000 2.760 289 V HA 0.594 4.748 4.120 0.056 0.000 0.309 289 V C -0.841 175.035 176.094 -0.363 0.000 1.077 289 V CA -0.750 61.358 62.300 -0.320 0.000 0.910 289 V CB 1.960 33.380 31.823 -0.673 0.000 1.008 289 V HN 0.746 nan 8.190 nan 0.000 0.424 290 R N 4.835 125.172 120.500 -0.271 0.000 2.562 290 R HA 0.545 4.919 4.340 0.056 0.000 0.298 290 R C -1.561 174.642 176.300 -0.162 0.000 0.961 290 R CA -0.480 55.483 56.100 -0.228 0.000 0.881 290 R CB 2.058 32.350 30.300 -0.013 0.000 1.159 290 R HN 0.578 nan 8.270 nan 0.000 0.450 291 F N 1.981 121.962 119.950 0.053 0.000 2.385 291 F HA 0.362 4.921 4.527 0.054 0.000 0.336 291 F C 0.972 176.677 175.800 -0.158 0.000 1.100 291 F CA -0.023 57.970 58.000 -0.011 0.000 1.116 291 F CB 0.844 39.730 39.000 -0.191 0.000 1.166 291 F HN 0.193 nan 8.300 nan 0.000 0.511 292 H N 0.835 119.887 119.070 -0.030 0.000 2.806 292 H HA 0.219 4.810 4.556 0.058 0.000 0.367 292 H C -1.615 173.490 175.328 -0.371 0.000 1.136 292 H CA -1.001 54.926 56.048 -0.203 0.000 1.178 292 H CB 1.905 31.635 29.762 -0.054 0.000 1.718 292 H HN 0.684 nan 8.280 nan 0.000 0.540 293 W N 2.693 123.881 121.300 -0.187 0.000 2.471 293 W HA 0.300 4.992 4.660 0.053 0.000 0.318 293 W C -0.036 176.520 176.519 0.061 0.000 1.034 293 W CA -0.765 56.528 57.345 -0.086 0.000 1.224 293 W CB 1.690 30.913 29.460 -0.395 0.000 1.335 293 W HN 0.272 nan 8.180 nan 0.000 0.452 294 K N 6.052 126.721 120.400 0.449 0.000 2.240 294 K HA 0.366 4.720 4.320 0.056 0.000 0.271 294 K C -2.421 174.415 176.600 0.394 0.000 1.018 294 K CA -1.837 54.653 56.287 0.338 0.000 0.874 294 K CB 1.375 34.018 32.500 0.239 0.000 1.098 294 K HN 0.049 nan 8.250 nan 0.000 0.458 295 P HA 0.061 nan 4.420 nan 0.000 0.282 295 P C 0.399 177.707 177.300 0.013 0.000 1.274 295 P CA -0.143 63.035 63.100 0.130 0.000 0.770 295 P CB 0.827 32.617 31.700 0.150 0.000 0.867 296 L N 2.686 123.861 121.223 -0.080 0.000 2.465 296 L HA -0.075 4.299 4.340 0.056 0.000 0.224 296 L C 2.136 178.985 176.870 -0.035 0.000 1.145 296 L CA 1.070 55.898 54.840 -0.020 0.000 0.834 296 L CB -0.540 41.514 42.059 -0.009 0.000 0.944 296 L HN 0.356 nan 8.230 nan 0.000 0.451 297 A N -0.042 122.728 122.820 -0.083 0.000 2.251 297 A HA 0.426 4.780 4.320 0.056 0.000 0.209 297 A C 1.245 178.823 177.584 -0.011 0.000 1.187 297 A CA 0.608 52.614 52.037 -0.052 0.000 0.823 297 A CB -0.415 18.535 19.000 -0.083 0.000 0.846 297 A HN 0.440 nan 8.150 nan 0.000 0.486 298 G N -0.558 108.251 108.800 0.015 0.000 2.756 298 G HA2 -0.146 3.848 3.960 0.056 0.000 0.678 298 G HA3 -0.146 3.848 3.960 0.056 0.000 0.678 298 G C -0.610 174.317 174.900 0.046 0.000 1.349 298 G CA -0.386 44.742 45.100 0.047 0.000 0.847 298 G HN 0.478 nan 8.290 nan 0.000 0.548 299 K N 0.092 120.524 120.400 0.055 0.000 2.156 299 K HA 0.744 5.098 4.320 0.056 0.000 0.271 299 K C 0.195 176.789 176.600 -0.009 0.000 0.995 299 K CA 0.164 56.469 56.287 0.030 0.000 0.890 299 K CB 1.835 34.342 32.500 0.011 0.000 1.073 299 K HN 1.485 nan 8.250 nan 0.000 0.454 300 A N 1.604 124.409 122.820 -0.025 0.000 2.566 300 A HA 0.615 4.969 4.320 0.056 0.000 0.297 300 A C -1.204 176.430 177.584 0.084 0.000 1.059 300 A CA -0.681 51.302 52.037 -0.090 0.000 0.691 300 A CB 1.706 20.446 19.000 -0.434 0.000 1.282 300 A HN 0.511 nan 8.150 nan 0.000 0.401 301 S N 0.441 116.352 115.700 0.352 0.000 2.627 301 S HA 0.745 5.249 4.470 0.056 0.000 0.283 301 S C -0.098 174.827 174.600 0.542 0.000 1.127 301 S CA -0.633 57.808 58.200 0.403 0.000 0.863 301 S CB 1.220 64.640 63.200 0.367 0.000 1.121 301 S HN 0.664 nan 8.310 nan 0.000 0.479 302 L N 1.269 122.697 121.223 0.341 0.000 2.505 302 L HA 0.528 4.902 4.340 0.056 0.000 0.226 302 L C 0.082 177.069 176.870 0.195 0.000 1.211 302 L CA -0.721 54.239 54.840 0.201 0.000 0.828 302 L CB 0.083 42.170 42.059 0.048 0.000 1.331 302 L HN 0.503 nan 8.230 nan 0.000 0.513 303 V N -3.300 116.621 119.914 0.012 0.000 2.881 303 V HA 0.192 4.346 4.120 0.056 0.000 0.316 303 V C 0.631 176.657 176.094 -0.115 0.000 1.070 303 V CA -0.827 61.444 62.300 -0.048 0.000 0.976 303 V CB 1.635 33.399 31.823 -0.098 0.000 1.038 303 V HN 0.935 nan 8.190 nan 0.000 0.446 304 W N 1.629 122.777 121.300 -0.253 0.000 2.335 304 W HA -0.217 4.477 4.660 0.055 0.000 0.311 304 W C 1.793 178.142 176.519 -0.283 0.000 1.213 304 W CA 2.545 59.739 57.345 -0.251 0.000 1.274 304 W CB -0.101 29.197 29.460 -0.271 0.000 1.148 304 W HN 1.007 nan 8.180 nan 0.000 0.498 305 D N 0.259 120.363 120.400 -0.493 0.000 2.133 305 D HA -0.306 4.368 4.640 0.056 0.000 0.195 305 D C 2.136 178.065 176.300 -0.618 0.000 0.997 305 D CA 2.286 55.962 54.000 -0.540 0.000 0.840 305 D CB -0.477 40.248 40.800 -0.124 0.000 0.947 305 D HN 0.421 nan 8.370 nan 0.000 0.452 306 E N -0.398 119.317 120.200 -0.808 0.000 2.028 306 E HA -0.161 4.223 4.350 0.056 0.000 0.190 306 E C 2.081 178.348 176.600 -0.555 0.000 0.984 306 E CA 0.945 56.842 56.400 -0.838 0.000 0.800 306 E CB -0.258 28.831 29.700 -1.019 0.000 0.758 306 E HN 0.271 nan 8.360 nan 0.000 0.448 307 A N 1.425 123.934 122.820 -0.518 0.000 1.873 307 A HA -0.303 4.051 4.320 0.056 0.000 0.218 307 A C 2.228 179.476 177.584 -0.560 0.000 1.193 307 A CA 2.044 53.815 52.037 -0.444 0.000 0.629 307 A CB -0.880 17.964 19.000 -0.261 0.000 0.826 307 A HN 0.490 nan 8.150 nan 0.000 0.447 308 Q N -0.641 118.612 119.800 -0.912 0.000 2.084 308 Q HA -0.204 4.170 4.340 0.056 0.000 0.202 308 Q C 2.207 177.923 176.000 -0.472 0.000 0.978 308 Q CA 1.895 57.184 55.803 -0.856 0.000 0.844 308 Q CB -0.153 27.782 28.738 -1.338 0.000 0.898 308 Q HN 0.688 nan 8.270 nan 0.000 0.426 309 K N -0.012 120.135 120.400 -0.422 0.000 2.097 309 K HA -0.153 4.201 4.320 0.056 0.000 0.205 309 K C 2.066 178.525 176.600 -0.235 0.000 1.050 309 K CA 0.741 56.876 56.287 -0.254 0.000 0.938 309 K CB -0.043 32.356 32.500 -0.168 0.000 0.718 309 K HN 0.175 nan 8.250 nan 0.000 0.442 310 L N 1.442 122.482 121.223 -0.305 0.000 2.141 310 L HA -0.141 4.233 4.340 0.056 0.000 0.209 310 L C 2.260 178.990 176.870 -0.233 0.000 1.094 310 L CA 2.227 56.882 54.840 -0.309 0.000 0.763 310 L CB -0.998 40.786 42.059 -0.458 0.000 0.908 310 L HN 0.361 nan 8.230 nan 0.000 0.437 311 T N -4.141 110.279 114.554 -0.223 0.000 2.803 311 T HA -0.119 4.265 4.350 0.056 0.000 0.269 311 T C 1.879 176.515 174.700 -0.107 0.000 1.052 311 T CA 1.156 63.169 62.100 -0.146 0.000 1.136 311 T CB -1.066 67.727 68.868 -0.125 0.000 0.864 311 T HN 0.384 nan 8.240 nan 0.000 0.467 312 G N 1.001 109.732 108.800 -0.115 0.000 2.411 312 G HA2 -0.008 3.986 3.960 0.056 0.000 0.213 312 G HA3 -0.008 3.986 3.960 0.056 0.000 0.213 312 G C 1.919 176.777 174.900 -0.071 0.000 1.166 312 G CA -0.196 44.855 45.100 -0.083 0.000 0.802 312 G HN 0.311 nan 8.290 nan 0.000 0.533 313 R N 0.241 120.689 120.500 -0.087 0.000 2.090 313 R HA 0.052 4.426 4.340 0.056 0.000 0.228 313 R C -0.145 176.130 176.300 -0.042 0.000 1.110 313 R CA 0.788 56.849 56.100 -0.064 0.000 0.973 313 R CB -0.246 30.006 30.300 -0.080 0.000 0.869 313 R HN 0.338 nan 8.270 nan 0.000 0.440 314 D N -0.545 119.823 120.400 -0.054 0.000 2.411 314 D HA 0.158 4.832 4.640 0.056 0.000 0.239 314 D C -2.170 174.132 176.300 0.004 0.000 1.307 314 D CA -1.794 52.208 54.000 0.004 0.000 0.930 314 D CB 1.386 42.237 40.800 0.085 0.000 1.395 314 D HN -0.146 nan 8.370 nan 0.000 0.536 315 P HA 0.040 nan 4.420 nan 0.000 0.230 315 P C 0.069 177.378 177.300 0.014 0.000 1.158 315 P CA 0.580 63.671 63.100 -0.016 0.000 0.769 315 P CB 0.454 32.141 31.700 -0.021 0.000 0.807 316 D N -1.448 118.973 120.400 0.034 0.000 2.427 316 D HA 0.072 4.746 4.640 0.056 0.000 0.224 316 D C 1.210 177.556 176.300 0.078 0.000 1.157 316 D CA -0.405 53.622 54.000 0.045 0.000 0.828 316 D CB -0.514 40.288 40.800 0.004 0.000 0.974 316 D HN 0.127 nan 8.370 nan 0.000 0.498 317 F N 1.366 121.266 119.950 -0.084 0.000 2.095 317 F HA -0.255 4.305 4.527 0.056 0.000 0.298 317 F C 2.105 177.891 175.800 -0.023 0.000 1.104 317 F CA 1.878 59.825 58.000 -0.088 0.000 1.232 317 F CB 0.045 38.940 39.000 -0.176 0.000 0.987 317 F HN 0.108 nan 8.300 nan 0.000 0.475 318 H N -1.039 117.957 119.070 -0.123 0.000 2.357 318 H HA -0.126 4.463 4.556 0.056 0.000 0.301 318 H C 2.402 177.641 175.328 -0.147 0.000 1.082 318 H CA 1.014 56.848 56.048 -0.357 0.000 1.342 318 H CB -0.169 29.237 29.762 -0.594 0.000 1.389 318 H HN 0.179 nan 8.280 nan 0.000 0.511 319 R N 1.253 121.863 120.500 0.183 0.000 2.091 319 R HA -0.156 4.218 4.340 0.056 0.000 0.238 319 R C 2.445 178.847 176.300 0.170 0.000 1.136 319 R CA 1.529 57.778 56.100 0.248 0.000 0.959 319 R CB -0.064 30.364 30.300 0.213 0.000 0.856 319 R HN 0.207 nan 8.270 nan 0.000 0.437 320 R N 0.150 120.673 120.500 0.039 0.000 2.073 320 R HA -0.112 4.262 4.340 0.056 0.000 0.229 320 R C 2.126 178.420 176.300 -0.009 0.000 1.120 320 R CA 1.450 57.555 56.100 0.008 0.000 0.967 320 R CB -0.167 30.106 30.300 -0.045 0.000 0.862 320 R HN 0.258 nan 8.270 nan 0.000 0.436 321 E N 0.729 120.821 120.200 -0.180 0.000 2.106 321 E HA -0.188 4.196 4.350 0.056 0.000 0.192 321 E C 1.960 178.535 176.600 -0.042 0.000 0.984 321 E CA 0.912 57.175 56.400 -0.229 0.000 0.806 321 E CB -0.011 29.372 29.700 -0.529 0.000 0.750 321 E HN 0.257 nan 8.360 nan 0.000 0.458 322 L N 0.668 121.915 121.223 0.041 0.000 2.027 322 L HA -0.119 4.255 4.340 0.056 0.000 0.206 322 L C 2.239 179.222 176.870 0.189 0.000 1.074 322 L CA 1.740 56.653 54.840 0.122 0.000 0.745 322 L CB -0.918 41.283 42.059 0.237 0.000 0.898 322 L HN 0.287 nan 8.230 nan 0.000 0.433 323 W N 0.958 122.300 121.300 0.070 0.000 2.358 323 W HA -0.198 4.495 4.660 0.054 0.000 0.303 323 W C 2.162 178.718 176.519 0.061 0.000 1.208 323 W CA 2.065 59.463 57.345 0.089 0.000 1.274 323 W CB -0.111 29.402 29.460 0.089 0.000 1.138 323 W HN 0.355 nan 8.180 nan 0.000 0.515 324 E N 0.060 120.445 120.200 0.309 0.000 2.150 324 E HA -0.149 4.235 4.350 0.056 0.000 0.193 324 E C 2.363 179.005 176.600 0.071 0.000 0.985 324 E CA 1.183 57.683 56.400 0.167 0.000 0.814 324 E CB -0.335 29.416 29.700 0.085 0.000 0.752 324 E HN 0.192 nan 8.360 nan 0.000 0.466 325 A N 1.177 124.036 122.820 0.065 0.000 1.898 325 A HA -0.158 4.196 4.320 0.056 0.000 0.216 325 A C 2.155 179.773 177.584 0.056 0.000 1.181 325 A CA 1.011 53.078 52.037 0.050 0.000 0.620 325 A CB -0.494 18.530 19.000 0.041 0.000 0.819 325 A HN 0.129 nan 8.150 nan 0.000 0.442 326 I N -0.424 120.202 120.570 0.093 0.000 2.315 326 I HA -0.222 3.982 4.170 0.056 0.000 0.248 326 I C 2.371 178.570 176.117 0.137 0.000 1.117 326 I CA 1.338 62.746 61.300 0.181 0.000 1.404 326 I CB -0.385 37.656 38.000 0.068 0.000 1.071 326 I HN 0.408 nan 8.210 nan 0.000 0.419 327 E N 0.810 121.037 120.200 0.045 0.000 2.268 327 E HA -0.138 4.246 4.350 0.056 0.000 0.195 327 E C 2.072 178.689 176.600 0.028 0.000 0.995 327 E CA 1.060 57.493 56.400 0.055 0.000 0.836 327 E CB -0.025 29.736 29.700 0.102 0.000 0.763 327 E HN 0.494 nan 8.360 nan 0.000 0.491 328 A N 0.095 122.908 122.820 -0.011 0.000 2.218 328 A HA 0.257 4.611 4.320 0.056 0.000 0.209 328 A C 1.717 179.229 177.584 -0.120 0.000 1.168 328 A CA 0.831 52.837 52.037 -0.052 0.000 0.804 328 A CB -0.015 18.943 19.000 -0.069 0.000 0.834 328 A HN 0.307 nan 8.150 nan 0.000 0.482 329 G N -0.280 108.359 108.800 -0.267 0.000 2.157 329 G HA2 -0.202 3.792 3.960 0.056 0.000 0.248 329 G HA3 -0.202 3.792 3.960 0.056 0.000 0.248 329 G C -0.209 174.171 174.900 -0.867 0.000 0.979 329 G CA 0.250 44.874 45.100 -0.793 0.000 0.650 329 G HN 0.439 nan 8.290 nan 0.000 0.529 330 D N 0.902 121.069 120.400 -0.388 0.000 2.994 330 D HA 0.263 4.937 4.640 0.056 0.000 0.240 330 D C 0.871 177.114 176.300 -0.096 0.000 1.195 330 D CA -0.190 53.690 54.000 -0.201 0.000 0.957 330 D CB -0.703 40.080 40.800 -0.027 0.000 1.105 330 D HN 0.455 nan 8.370 nan 0.000 0.477 331 F N 1.306 121.256 119.950 0.001 0.000 2.623 331 F HA 0.051 4.612 4.527 0.057 0.000 0.383 331 F C -1.361 174.405 175.800 -0.056 0.000 1.077 331 F CA -1.753 56.239 58.000 -0.015 0.000 1.268 331 F CB -0.046 38.955 39.000 0.001 0.000 1.053 331 F HN -0.107 nan 8.300 nan 0.000 0.571 332 P HA 0.042 nan 4.420 nan 0.000 0.267 332 P C -1.104 176.123 177.300 -0.122 0.000 1.209 332 P CA 0.321 63.395 63.100 -0.042 0.000 0.763 332 P CB 0.489 32.256 31.700 0.112 0.000 0.816 333 E N 2.537 122.523 120.200 -0.358 0.000 2.248 333 E HA 0.473 4.857 4.350 0.056 0.000 0.267 333 E C -1.057 175.248 176.600 -0.492 0.000 0.877 333 E CA -0.581 55.676 56.400 -0.238 0.000 0.759 333 E CB 1.603 31.267 29.700 -0.060 0.000 1.182 333 E HN 0.375 nan 8.360 nan 0.000 0.418 334 Y N 0.225 120.598 120.300 0.122 0.000 2.492 334 Y HA 0.270 4.855 4.550 0.059 0.000 0.346 334 Y C -0.246 175.884 175.900 0.384 0.000 0.997 334 Y CA -0.995 57.255 58.100 0.249 0.000 1.025 334 Y CB 2.089 40.678 38.460 0.214 0.000 1.263 334 Y HN 0.473 nan 8.280 nan 0.000 0.454 335 E N 2.287 122.817 120.200 0.550 0.000 2.174 335 E HA 0.410 4.794 4.350 0.056 0.000 0.282 335 E C -1.482 175.392 176.600 0.457 0.000 0.992 335 E CA -0.947 55.711 56.400 0.430 0.000 0.803 335 E CB 1.065 30.951 29.700 0.310 0.000 1.090 335 E HN 0.565 nan 8.360 nan 0.000 0.396 336 L N 4.087 125.489 121.223 0.298 0.000 2.380 336 L HA 0.496 4.870 4.340 0.056 0.000 0.273 336 L C -0.082 176.685 176.870 -0.172 0.000 1.138 336 L CA 0.503 55.221 54.840 -0.203 0.000 0.832 336 L CB 1.069 42.961 42.059 -0.279 0.000 1.124 336 L HN 0.558 nan 8.230 nan 0.000 0.454 337 G N 4.664 113.391 108.800 -0.122 0.000 2.542 337 G HA2 0.552 4.546 3.960 0.056 0.000 0.311 337 G HA3 0.552 4.546 3.960 0.056 0.000 0.311 337 G C -1.480 173.549 174.900 0.216 0.000 1.298 337 G CA -0.478 44.604 45.100 -0.030 0.000 0.973 337 G HN 0.474 nan 8.290 nan 0.000 0.487 338 F N 0.359 120.320 119.950 0.020 0.000 2.482 338 F HA 0.396 4.958 4.527 0.057 0.000 0.331 338 F C 0.454 176.245 175.800 -0.015 0.000 1.115 338 F CA -0.960 57.053 58.000 0.023 0.000 0.955 338 F CB 2.559 41.558 39.000 -0.002 0.000 1.136 338 F HN 0.119 nan 8.300 nan 0.000 0.452 339 Q N 4.294 124.209 119.800 0.192 0.000 2.340 339 Q HA 0.484 4.858 4.340 0.056 0.000 0.259 339 Q C -1.083 174.959 176.000 0.070 0.000 0.964 339 Q CA -0.523 55.339 55.803 0.097 0.000 0.900 339 Q CB 2.110 30.913 28.738 0.108 0.000 1.228 339 Q HN 0.555 nan 8.270 nan 0.000 0.449 340 L N 4.321 125.593 121.223 0.082 0.000 2.322 340 L HA 0.573 4.947 4.340 0.056 0.000 0.281 340 L C -0.779 176.145 176.870 0.089 0.000 1.014 340 L CA -0.761 54.115 54.840 0.060 0.000 0.815 340 L CB 1.217 43.318 42.059 0.071 0.000 1.247 340 L HN 0.513 nan 8.230 nan 0.000 0.421 341 I N 4.581 125.218 120.570 0.112 0.000 2.468 341 I HA 0.385 4.589 4.170 0.056 0.000 0.285 341 I C -2.308 173.910 176.117 0.169 0.000 1.039 341 I CA -1.726 59.683 61.300 0.182 0.000 1.074 341 I CB 1.911 40.057 38.000 0.244 0.000 1.228 341 I HN 0.301 nan 8.210 nan 0.000 0.436 342 P HA 0.041 nan 4.420 nan 0.000 0.268 342 P C 0.751 178.085 177.300 0.057 0.000 1.208 342 P CA -0.121 62.997 63.100 0.029 0.000 0.777 342 P CB 0.838 32.554 31.700 0.026 0.000 0.875 343 E N 1.181 121.319 120.200 -0.103 0.000 2.118 343 E HA -0.270 4.114 4.350 0.056 0.000 0.195 343 E C 0.938 177.596 176.600 0.096 0.000 0.992 343 E CA 1.464 57.792 56.400 -0.121 0.000 0.804 343 E CB -0.015 29.549 29.700 -0.226 0.000 0.741 343 E HN 0.428 nan 8.360 nan 0.000 0.458 344 E N 0.517 120.755 120.200 0.063 0.000 2.409 344 E HA -0.131 4.253 4.350 0.056 0.000 0.198 344 E C 0.776 177.425 176.600 0.082 0.000 1.024 344 E CA 0.990 57.438 56.400 0.079 0.000 0.861 344 E CB 0.078 29.806 29.700 0.047 0.000 0.788 344 E HN 0.236 nan 8.360 nan 0.000 0.521 345 D N -0.081 120.371 120.400 0.085 0.000 2.340 345 D HA -0.016 4.658 4.640 0.056 0.000 0.217 345 D C 1.231 177.539 176.300 0.013 0.000 1.081 345 D CA 0.065 54.086 54.000 0.036 0.000 0.842 345 D CB 0.055 40.886 40.800 0.052 0.000 0.934 345 D HN 0.257 nan 8.370 nan 0.000 0.511 346 E N -0.204 119.982 120.200 -0.024 0.000 2.114 346 E HA -0.211 4.172 4.350 0.056 0.000 0.199 346 E C 0.460 176.718 176.600 -0.570 0.000 1.008 346 E CA 1.163 57.343 56.400 -0.366 0.000 0.810 346 E CB -0.001 29.337 29.700 -0.603 0.000 0.739 346 E HN 0.283 nan 8.360 nan 0.000 0.456 347 F N -0.573 119.374 119.950 -0.006 0.000 2.647 347 F HA 0.276 4.837 4.527 0.056 0.000 0.300 347 F C 1.419 177.133 175.800 -0.143 0.000 1.106 347 F CA -0.275 57.693 58.000 -0.053 0.000 1.313 347 F CB 0.565 39.547 39.000 -0.030 0.000 1.007 347 F HN -0.186 nan 8.300 nan 0.000 0.536 348 K N -0.020 120.263 120.400 -0.194 0.000 2.487 348 K HA 0.104 4.458 4.320 0.056 0.000 0.192 348 K C -0.168 175.994 176.600 -0.730 0.000 1.027 348 K CA 0.386 56.390 56.287 -0.472 0.000 1.054 348 K CB 0.195 32.356 32.500 -0.565 0.000 0.824 348 K HN 0.126 nan 8.250 nan 0.000 0.510 349 F N 0.299 120.101 119.950 -0.247 0.000 2.509 349 F HA 0.113 4.675 4.527 0.058 0.000 0.334 349 F C 1.074 176.701 175.800 -0.288 0.000 1.060 349 F CA -1.242 56.527 58.000 -0.385 0.000 0.997 349 F CB 0.696 39.104 39.000 -0.986 0.000 1.271 349 F HN -0.029 nan 8.300 nan 0.000 0.488 350 D N -0.543 119.895 120.400 0.063 0.000 2.325 350 D HA 0.090 4.764 4.640 0.056 0.000 0.225 350 D C -0.518 175.898 176.300 0.195 0.000 1.096 350 D CA 0.061 54.134 54.000 0.121 0.000 0.844 350 D CB -0.845 40.045 40.800 0.151 0.000 0.925 350 D HN 0.253 nan 8.370 nan 0.000 0.513 351 F N -1.792 118.247 119.950 0.149 0.000 2.611 351 F HA 0.536 5.096 4.527 0.055 0.000 0.324 351 F C -0.282 175.525 175.800 0.012 0.000 1.061 351 F CA -1.700 56.313 58.000 0.021 0.000 0.954 351 F CB 1.037 40.008 39.000 -0.049 0.000 1.301 351 F HN -0.335 nan 8.300 nan 0.000 0.482 352 D N 1.799 122.213 120.400 0.023 0.000 2.308 352 D HA 0.200 4.874 4.640 0.056 0.000 0.251 352 D C 0.980 177.222 176.300 -0.098 0.000 1.127 352 D CA -0.066 53.903 54.000 -0.051 0.000 0.876 352 D CB 1.514 42.325 40.800 0.018 0.000 1.176 352 D HN 0.756 nan 8.370 nan 0.000 0.446 353 L N 3.414 124.510 121.223 -0.212 0.000 2.265 353 L HA -0.115 4.259 4.340 0.056 0.000 0.215 353 L C 1.912 178.652 176.870 -0.216 0.000 1.117 353 L CA 0.648 55.345 54.840 -0.238 0.000 0.782 353 L CB -0.073 41.707 42.059 -0.464 0.000 0.914 353 L HN 0.442 nan 8.230 nan 0.000 0.441 354 L N -1.007 120.113 121.223 -0.170 0.000 2.592 354 L HA 0.094 4.468 4.340 0.056 0.000 0.227 354 L C 0.394 177.198 176.870 -0.111 0.000 1.127 354 L CA -0.165 54.637 54.840 -0.064 0.000 0.884 354 L CB -0.181 41.942 42.059 0.106 0.000 1.065 354 L HN 0.086 nan 8.230 nan 0.000 0.457 355 D N 2.252 122.353 120.400 -0.498 0.000 2.339 355 D HA 0.105 4.779 4.640 0.056 0.000 0.241 355 D C -1.616 174.451 176.300 -0.388 0.000 1.183 355 D CA -2.181 51.242 54.000 -0.962 0.000 0.859 355 D CB 1.521 41.528 40.800 -1.323 0.000 1.067 355 D HN -0.038 nan 8.370 nan 0.000 0.484 356 P HA -0.000 nan 4.420 nan 0.000 0.253 356 P C 0.709 177.912 177.300 -0.163 0.000 1.260 356 P CA 0.381 63.409 63.100 -0.121 0.000 0.800 356 P CB -0.033 31.692 31.700 0.040 0.000 1.162 357 T N -4.213 110.233 114.554 -0.180 0.000 3.086 357 T HA 0.179 4.562 4.350 0.056 0.000 0.250 357 T C 0.685 175.295 174.700 -0.149 0.000 1.074 357 T CA -0.153 61.855 62.100 -0.153 0.000 0.988 357 T CB -0.137 68.687 68.868 -0.073 0.000 0.988 357 T HN -0.144 nan 8.240 nan 0.000 0.530 358 K N 2.056 122.284 120.400 -0.287 0.000 2.270 358 K HA 0.584 4.938 4.320 0.056 0.000 0.255 358 K C -0.393 176.042 176.600 -0.275 0.000 0.936 358 K CA -0.860 55.146 56.287 -0.468 0.000 0.809 358 K CB 2.291 34.397 32.500 -0.657 0.000 1.131 358 K HN 0.285 nan 8.250 nan 0.000 0.427 359 L N -0.485 120.690 121.223 -0.079 0.000 2.387 359 L HA 0.654 5.028 4.340 0.056 0.000 0.266 359 L C -0.076 176.616 176.870 -0.297 0.000 1.059 359 L CA -0.466 54.285 54.840 -0.148 0.000 0.801 359 L CB 0.338 42.375 42.059 -0.037 0.000 1.223 359 L HN 0.456 nan 8.230 nan 0.000 0.456 360 I N 1.574 122.057 120.570 -0.144 0.000 2.330 360 I HA 0.374 4.578 4.170 0.056 0.000 0.286 360 I C -2.126 173.990 176.117 -0.001 0.000 1.025 360 I CA -1.676 59.578 61.300 -0.077 0.000 1.197 360 I CB 1.155 39.136 38.000 -0.032 0.000 1.358 360 I HN 0.453 nan 8.210 nan 0.000 0.467 361 P HA 0.023 nan 4.420 nan 0.000 0.264 361 P C 0.321 177.673 177.300 0.086 0.000 1.193 361 P CA 0.108 63.237 63.100 0.048 0.000 0.763 361 P CB 0.574 32.295 31.700 0.036 0.000 0.810 362 E N 1.960 122.222 120.200 0.104 0.000 2.204 362 E HA -0.198 4.186 4.350 0.056 0.000 0.195 362 E C 1.321 177.969 176.600 0.079 0.000 0.990 362 E CA 0.801 57.252 56.400 0.084 0.000 0.821 362 E CB -0.051 29.698 29.700 0.082 0.000 0.750 362 E HN 0.523 nan 8.360 nan 0.000 0.477 363 E N 0.446 120.694 120.200 0.080 0.000 2.204 363 E HA -0.137 4.247 4.350 0.056 0.000 0.195 363 E C 2.045 178.705 176.600 0.101 0.000 0.990 363 E CA 0.719 57.166 56.400 0.077 0.000 0.821 363 E CB 0.074 29.813 29.700 0.065 0.000 0.750 363 E HN 0.384 nan 8.360 nan 0.000 0.477 364 L N -0.297 121.006 121.223 0.133 0.000 2.200 364 L HA 0.051 4.425 4.340 0.056 0.000 0.200 364 L C 0.702 177.689 176.870 0.196 0.000 1.072 364 L CA 0.478 55.439 54.840 0.200 0.000 0.787 364 L CB 0.370 42.610 42.059 0.301 0.000 0.957 364 L HN -0.190 nan 8.230 nan 0.000 0.459 365 V N 1.561 121.563 119.914 0.147 0.000 2.380 365 V HA 0.314 4.468 4.120 0.056 0.000 0.286 365 V C -2.334 173.805 176.094 0.074 0.000 1.015 365 V CA -1.581 60.793 62.300 0.122 0.000 0.834 365 V CB 1.276 33.165 31.823 0.109 0.000 1.009 365 V HN -0.009 nan 8.190 nan 0.000 0.428 366 P HA 0.153 nan 4.420 nan 0.000 0.272 366 P C -0.277 177.022 177.300 -0.001 0.000 1.223 366 P CA -0.039 63.080 63.100 0.033 0.000 0.784 366 P CB 0.971 32.695 31.700 0.040 0.000 0.923 367 V N 3.141 123.021 119.914 -0.055 0.000 2.427 367 V HA 0.080 4.234 4.120 0.056 0.000 0.268 367 V C 0.888 176.967 176.094 -0.025 0.000 1.046 367 V CA 0.081 62.311 62.300 -0.116 0.000 0.970 367 V CB -0.044 31.620 31.823 -0.264 0.000 1.001 367 V HN 0.540 nan 8.190 nan 0.000 0.476 368 Q N 5.646 125.452 119.800 0.010 0.000 2.279 368 Q HA 0.342 4.716 4.340 0.056 0.000 0.256 368 Q C -0.211 175.772 176.000 -0.028 0.000 0.937 368 Q CA -0.599 55.213 55.803 0.016 0.000 0.933 368 Q CB 0.707 29.469 28.738 0.039 0.000 1.189 368 Q HN 0.641 nan 8.270 nan 0.000 0.417 369 R N 2.831 123.345 120.500 0.023 0.000 2.265 369 R HA 0.202 4.575 4.340 0.056 0.000 0.314 369 R C 0.170 176.490 176.300 0.034 0.000 1.053 369 R CA -0.253 55.883 56.100 0.059 0.000 0.931 369 R CB 1.231 31.659 30.300 0.213 0.000 1.024 369 R HN 0.496 nan 8.270 nan 0.000 0.457 370 V N 1.523 121.304 119.914 -0.222 0.000 3.612 370 V HA 0.342 4.496 4.120 0.056 0.000 0.268 370 V C 0.538 176.314 176.094 -0.530 0.000 1.365 370 V CA 0.891 62.979 62.300 -0.353 0.000 1.044 370 V CB 1.159 32.538 31.823 -0.740 0.000 0.820 370 V HN 1.011 nan 8.190 nan 0.000 0.444 371 G N -0.196 108.092 108.800 -0.854 0.000 2.349 371 G HA2 0.456 4.450 3.960 0.056 0.000 0.294 371 G HA3 0.456 4.450 3.960 0.056 0.000 0.294 371 G C -1.790 172.746 174.900 -0.606 0.000 1.380 371 G CA -0.568 43.910 45.100 -1.037 0.000 0.811 371 G HN 0.010 nan 8.290 nan 0.000 0.519 372 K N -0.386 119.769 120.400 -0.408 0.000 2.427 372 K HA 0.701 5.055 4.320 0.056 0.000 0.252 372 K C -0.830 175.852 176.600 0.136 0.000 0.931 372 K CA -0.809 55.507 56.287 0.048 0.000 0.793 372 K CB 2.067 34.643 32.500 0.127 0.000 1.211 372 K HN 0.680 nan 8.250 nan 0.000 0.426 373 M N 4.418 124.218 119.600 0.334 0.000 2.456 373 M HA 0.481 4.995 4.480 0.056 0.000 0.324 373 M C -1.781 174.502 176.300 -0.030 0.000 1.124 373 M CA -0.693 54.720 55.300 0.188 0.000 0.959 373 M CB 1.828 34.551 32.600 0.206 0.000 1.692 373 M HN 0.358 nan 8.290 nan 0.000 0.444 374 V N 5.317 125.052 119.914 -0.299 0.000 2.577 374 V HA 0.464 4.618 4.120 0.056 0.000 0.303 374 V C -1.169 174.763 176.094 -0.272 0.000 1.042 374 V CA -0.807 61.314 62.300 -0.299 0.000 0.872 374 V CB 1.950 33.448 31.823 -0.541 0.000 0.998 374 V HN 0.687 nan 8.190 nan 0.000 0.423 375 L N 5.765 126.925 121.223 -0.106 0.000 2.262 375 L HA 0.520 4.894 4.340 0.056 0.000 0.288 375 L C 0.615 177.382 176.870 -0.170 0.000 1.035 375 L CA 0.095 54.883 54.840 -0.085 0.000 0.820 375 L CB 1.048 43.121 42.059 0.023 0.000 1.204 375 L HN 0.884 nan 8.230 nan 0.000 0.424 376 N N 2.131 120.649 118.700 -0.303 0.000 2.194 376 N HA 0.158 4.931 4.740 0.056 0.000 0.231 376 N C 0.058 175.391 175.510 -0.294 0.000 1.247 376 N CA -0.263 52.357 53.050 -0.717 0.000 0.884 376 N CB 0.803 38.528 38.487 -1.270 0.000 1.146 376 N HN 0.394 nan 8.380 nan 0.000 0.516 377 R N 0.118 120.553 120.500 -0.109 0.000 2.566 377 R HA 0.326 4.700 4.340 0.056 0.000 0.271 377 R C -1.344 174.921 176.300 -0.058 0.000 1.071 377 R CA -0.557 55.502 56.100 -0.068 0.000 0.915 377 R CB 1.367 31.635 30.300 -0.053 0.000 1.228 377 R HN 0.048 nan 8.270 nan 0.000 0.449 378 N N 2.700 121.250 118.700 -0.250 0.000 2.463 378 N HA 0.362 5.136 4.740 0.056 0.000 0.270 378 N C -2.342 173.101 175.510 -0.111 0.000 1.205 378 N CA -1.442 51.311 53.050 -0.495 0.000 0.974 378 N CB 0.737 38.296 38.487 -1.547 0.000 1.197 378 N HN 0.295 nan 8.380 nan 0.000 0.504 379 P HA 0.112 nan 4.420 nan 0.000 0.273 379 P C 0.167 177.657 177.300 0.317 0.000 1.250 379 P CA -0.078 63.212 63.100 0.317 0.000 0.793 379 P CB 0.996 32.939 31.700 0.404 0.000 1.011 380 D N -0.875 119.687 120.400 0.270 0.000 2.201 380 D HA -0.026 4.647 4.640 0.056 0.000 0.209 380 D C 0.412 176.893 176.300 0.302 0.000 0.961 380 D CA 1.415 55.568 54.000 0.256 0.000 0.861 380 D CB 0.182 41.072 40.800 0.150 0.000 0.997 380 D HN 0.383 nan 8.370 nan 0.000 0.486 381 N N -0.264 118.607 118.700 0.284 0.000 2.461 381 N HA 0.009 4.783 4.740 0.056 0.000 0.284 381 N C -0.020 175.704 175.510 0.357 0.000 1.049 381 N CA -0.334 52.895 53.050 0.299 0.000 0.889 381 N CB 1.545 40.172 38.487 0.234 0.000 1.365 381 N HN -0.162 nan 8.380 nan 0.000 0.499 382 F N 4.431 124.536 119.950 0.258 0.000 2.102 382 F HA -0.131 4.430 4.527 0.056 0.000 0.298 382 F C 1.643 177.577 175.800 0.223 0.000 1.105 382 F CA 1.411 59.566 58.000 0.258 0.000 1.239 382 F CB -0.098 39.027 39.000 0.207 0.000 0.991 382 F HN 0.601 nan 8.300 nan 0.000 0.474 383 F N 0.773 120.947 119.950 0.372 0.000 2.102 383 F HA -0.090 4.472 4.527 0.058 0.000 0.298 383 F C 2.277 178.131 175.800 0.090 0.000 1.105 383 F CA 1.669 59.814 58.000 0.242 0.000 1.239 383 F CB -0.848 38.273 39.000 0.200 0.000 0.991 383 F HN -0.013 nan 8.300 nan 0.000 0.474 384 A N -0.223 122.734 122.820 0.229 0.000 1.898 384 A HA -0.137 4.217 4.320 0.056 0.000 0.216 384 A C 2.063 179.584 177.584 -0.105 0.000 1.181 384 A CA 1.943 54.029 52.037 0.081 0.000 0.620 384 A CB -0.630 18.473 19.000 0.172 0.000 0.819 384 A HN 0.581 nan 8.150 nan 0.000 0.442 385 E N -1.320 118.832 120.200 -0.080 0.000 2.162 385 E HA -0.054 4.330 4.350 0.056 0.000 0.193 385 E C 1.937 178.467 176.600 -0.117 0.000 0.953 385 E CA 0.445 56.735 56.400 -0.184 0.000 0.849 385 E CB -0.097 29.529 29.700 -0.124 0.000 0.810 385 E HN 0.567 nan 8.360 nan 0.000 0.470 386 N N 1.344 119.961 118.700 -0.139 0.000 2.182 386 N HA -0.154 4.620 4.740 0.056 0.000 0.186 386 N C 1.829 177.164 175.510 -0.292 0.000 1.036 386 N CA 1.306 54.225 53.050 -0.219 0.000 0.850 386 N CB 0.097 38.051 38.487 -0.887 0.000 1.010 386 N HN -0.067 nan 8.380 nan 0.000 0.432 387 E N 0.805 120.741 120.200 -0.441 0.000 2.153 387 E HA -0.093 4.291 4.350 0.056 0.000 0.194 387 E C 1.642 178.048 176.600 -0.323 0.000 0.988 387 E CA 1.439 57.658 56.400 -0.302 0.000 0.811 387 E CB -0.120 29.404 29.700 -0.294 0.000 0.746 387 E HN 0.498 nan 8.360 nan 0.000 0.466 388 Q N -0.377 119.172 119.800 -0.419 0.000 2.425 388 Q HA 0.262 4.636 4.340 0.056 0.000 0.204 388 Q C 0.039 175.923 176.000 -0.194 0.000 0.933 388 Q CA 0.225 55.830 55.803 -0.330 0.000 0.939 388 Q CB 0.515 29.042 28.738 -0.352 0.000 1.044 388 Q HN 0.215 nan 8.270 nan 0.000 0.513 389 A N 1.181 123.914 122.820 -0.144 0.000 2.477 389 A HA 0.458 4.812 4.320 0.056 0.000 0.246 389 A C -0.149 177.336 177.584 -0.165 0.000 1.078 389 A CA 0.132 52.069 52.037 -0.166 0.000 0.770 389 A CB 0.249 19.227 19.000 -0.037 0.000 1.011 389 A HN 0.270 nan 8.150 nan 0.000 0.494 390 A N 2.382 125.046 122.820 -0.260 0.000 2.291 390 A HA 0.707 5.061 4.320 0.056 0.000 0.311 390 A C -0.807 176.650 177.584 -0.212 0.000 1.224 390 A CA -0.380 51.566 52.037 -0.151 0.000 0.821 390 A CB 0.197 19.114 19.000 -0.138 0.000 1.172 390 A HN 0.643 nan 8.150 nan 0.000 0.494 391 F N 0.955 120.900 119.950 -0.009 0.000 2.480 391 F HA 0.620 5.175 4.527 0.048 0.000 0.329 391 F C 0.240 175.995 175.800 -0.076 0.000 1.091 391 F CA -0.124 57.841 58.000 -0.058 0.000 0.972 391 F CB 2.157 41.071 39.000 -0.142 0.000 1.150 391 F HN 0.742 nan 8.300 nan 0.000 0.467 392 H N 3.694 122.625 119.070 -0.232 0.000 3.083 392 H HA 0.272 4.851 4.556 0.039 0.000 0.339 392 H C -2.391 172.588 175.328 -0.582 0.000 1.020 392 H CA -1.754 53.930 56.048 -0.606 0.000 1.360 392 H CB 2.593 31.910 29.762 -0.740 0.000 1.811 392 H HN 0.190 nan 8.280 nan 0.000 0.493 393 P HA -0.041 nan 4.420 nan 0.000 0.225 393 P C 1.177 178.387 177.300 -0.151 0.000 1.148 393 P CA 1.328 64.137 63.100 -0.485 0.000 0.779 393 P CB 0.122 31.569 31.700 -0.422 0.000 0.780 394 G N -1.123 107.402 108.800 -0.458 0.000 2.679 394 G HA2 -0.154 3.840 3.960 0.056 0.000 0.212 394 G HA3 -0.154 3.840 3.960 0.056 0.000 0.212 394 G C 0.445 175.587 174.900 0.403 0.000 1.137 394 G CA -0.001 45.194 45.100 0.159 0.000 0.787 394 G HN 0.447 nan 8.290 nan 0.000 0.534 395 H N 0.647 119.846 119.070 0.215 0.000 2.982 395 H HA 0.353 4.949 4.556 0.066 0.000 0.261 395 H C 0.521 175.964 175.328 0.192 0.000 1.603 395 H CA -0.797 55.344 56.048 0.154 0.000 1.398 395 H CB 0.013 29.827 29.762 0.088 0.000 1.693 395 H HN 0.359 nan 8.280 nan 0.000 0.535 396 I N -0.446 120.256 120.570 0.219 0.000 3.217 396 I HA 0.697 4.901 4.170 0.056 0.000 0.308 396 I C -0.150 175.962 176.117 -0.008 0.000 1.091 396 I CA -1.391 59.956 61.300 0.078 0.000 1.013 396 I CB 1.873 39.797 38.000 -0.127 0.000 1.250 396 I HN 0.092 nan 8.210 nan 0.000 0.496 397 V N -2.387 117.504 119.914 -0.039 0.000 3.130 397 V HA 0.668 4.822 4.120 0.056 0.000 0.310 397 V C -2.881 173.317 176.094 0.172 0.000 1.158 397 V CA -2.512 59.832 62.300 0.073 0.000 1.029 397 V CB 1.065 32.910 31.823 0.037 0.000 1.057 397 V HN 0.616 nan 8.190 nan 0.000 0.436 398 P HA 0.408 nan 4.420 nan 0.000 0.265 398 P C 0.879 178.163 177.300 -0.027 0.000 1.193 398 P CA 1.930 65.079 63.100 0.081 0.000 0.765 398 P CB 0.801 32.535 31.700 0.056 0.000 0.823 399 G N 1.700 110.433 108.800 -0.111 0.000 2.218 399 G HA2 -0.156 3.838 3.960 0.056 0.000 0.216 399 G HA3 -0.156 3.838 3.960 0.056 0.000 0.216 399 G C -0.270 174.531 174.900 -0.165 0.000 0.994 399 G CA -0.435 44.586 45.100 -0.133 0.000 0.637 399 G HN 0.440 nan 8.290 nan 0.000 0.505 400 L N 0.111 121.246 121.223 -0.146 0.000 2.341 400 L HA 0.906 5.280 4.340 0.056 0.000 0.267 400 L C -0.583 176.222 176.870 -0.108 0.000 1.009 400 L CA -1.058 53.679 54.840 -0.172 0.000 0.819 400 L CB 2.114 43.991 42.059 -0.302 0.000 1.323 400 L HN 0.092 nan 8.230 nan 0.000 0.425 401 D N -0.494 119.836 120.400 -0.117 0.000 2.643 401 D HA 0.483 5.156 4.640 0.056 0.000 0.283 401 D C -1.186 175.052 176.300 -0.104 0.000 1.242 401 D CA -0.342 53.559 54.000 -0.165 0.000 0.863 401 D CB 2.006 42.779 40.800 -0.046 0.000 1.382 401 D HN 0.121 nan 8.370 nan 0.000 0.444 402 F N -0.241 119.843 119.950 0.223 0.000 2.321 402 F HA 0.521 5.091 4.527 0.071 0.000 0.318 402 F C 1.450 177.276 175.800 0.043 0.000 1.129 402 F CA -0.261 57.796 58.000 0.095 0.000 1.074 402 F CB 1.099 40.127 39.000 0.046 0.000 1.432 402 F HN 0.200 nan 8.300 nan 0.000 0.502 403 T N -3.246 111.407 114.554 0.166 0.000 2.831 403 T HA 0.303 4.686 4.350 0.056 0.000 0.287 403 T C -0.087 174.650 174.700 0.061 0.000 1.070 403 T CA -0.994 61.185 62.100 0.131 0.000 1.010 403 T CB 1.184 70.096 68.868 0.074 0.000 1.264 403 T HN 0.335 nan 8.240 nan 0.000 0.532 404 N N 1.272 120.013 118.700 0.067 0.000 2.434 404 N HA 0.053 4.827 4.740 0.056 0.000 0.196 404 N C 0.019 175.538 175.510 0.015 0.000 1.183 404 N CA 0.103 53.175 53.050 0.036 0.000 0.849 404 N CB -0.424 38.100 38.487 0.062 0.000 0.992 404 N HN 0.690 nan 8.380 nan 0.000 0.460 405 D N 2.120 122.511 120.400 -0.015 0.000 2.502 405 D HA -0.059 4.615 4.640 0.056 0.000 0.249 405 D C -1.399 174.895 176.300 -0.009 0.000 1.188 405 D CA -1.089 52.927 54.000 0.025 0.000 0.890 405 D CB 1.227 41.991 40.800 -0.060 0.000 1.140 405 D HN 0.149 nan 8.370 nan 0.000 0.505 406 P HA -0.101 nan 4.420 nan 0.000 0.233 406 P C 1.503 178.819 177.300 0.027 0.000 1.167 406 P CA 0.139 63.257 63.100 0.029 0.000 0.770 406 P CB 0.459 32.177 31.700 0.030 0.000 0.837 407 L N -0.356 120.901 121.223 0.056 0.000 2.102 407 L HA 0.009 4.383 4.340 0.056 0.000 0.202 407 L C 2.369 179.145 176.870 -0.156 0.000 1.076 407 L CA 1.189 56.055 54.840 0.044 0.000 0.761 407 L CB -1.478 40.699 42.059 0.197 0.000 0.921 407 L HN -0.179 nan 8.230 nan 0.000 0.444 408 L N -0.478 120.480 121.223 -0.442 0.000 2.012 408 L HA -0.221 4.152 4.340 0.056 0.000 0.210 408 L C 2.474 179.094 176.870 -0.417 0.000 1.073 408 L CA 1.798 56.188 54.840 -0.751 0.000 0.748 408 L CB -0.959 40.475 42.059 -1.042 0.000 0.891 408 L HN 0.373 nan 8.230 nan 0.000 0.431 409 Q N -0.229 119.399 119.800 -0.287 0.000 2.112 409 Q HA -0.180 4.194 4.340 0.056 0.000 0.206 409 Q C 2.070 177.984 176.000 -0.143 0.000 0.987 409 Q CA 1.890 57.564 55.803 -0.215 0.000 0.858 409 Q CB -0.804 27.860 28.738 -0.124 0.000 0.905 409 Q HN 0.705 nan 8.270 nan 0.000 0.420 410 G N 0.282 109.029 108.800 -0.088 0.000 2.464 410 G HA2 -0.180 3.814 3.960 0.056 0.000 0.217 410 G HA3 -0.180 3.814 3.960 0.056 0.000 0.217 410 G C 1.479 176.388 174.900 0.015 0.000 1.138 410 G CA 0.090 45.184 45.100 -0.012 0.000 0.793 410 G HN 0.242 nan 8.290 nan 0.000 0.539 411 R N -0.021 120.437 120.500 -0.069 0.000 2.133 411 R HA -0.063 4.311 4.340 0.056 0.000 0.247 411 R C 2.459 178.832 176.300 0.122 0.000 1.151 411 R CA 1.167 57.276 56.100 0.015 0.000 0.971 411 R CB -0.525 29.744 30.300 -0.051 0.000 0.866 411 R HN 0.347 nan 8.270 nan 0.000 0.447 412 L N -0.562 120.639 121.223 -0.037 0.000 2.127 412 L HA -0.196 4.178 4.340 0.056 0.000 0.211 412 L C 2.298 179.308 176.870 0.234 0.000 1.089 412 L CA 1.080 55.922 54.840 0.004 0.000 0.757 412 L CB -0.460 41.449 42.059 -0.250 0.000 0.899 412 L HN 0.156 nan 8.230 nan 0.000 0.434 413 F N 0.242 120.222 119.950 0.050 0.000 2.128 413 F HA -0.208 4.297 4.527 -0.036 0.000 0.295 413 F C 2.829 178.661 175.800 0.054 0.000 1.100 413 F CA 1.648 59.671 58.000 0.039 0.000 1.260 413 F CB -0.237 38.766 39.000 0.005 0.000 1.009 413 F HN -0.040 nan 8.300 nan 0.000 0.476 414 S N -0.800 114.924 115.700 0.040 0.000 2.368 414 S HA -0.223 4.280 4.470 0.056 0.000 0.224 414 S C 2.027 176.500 174.600 -0.211 0.000 1.029 414 S CA 1.458 59.569 58.200 -0.148 0.000 0.988 414 S CB -0.791 62.330 63.200 -0.131 0.000 0.838 414 S HN 0.533 nan 8.310 nan 0.000 0.462 415 Y N 1.398 121.715 120.300 0.028 0.000 2.439 415 Y HA 0.014 4.630 4.550 0.109 0.000 0.292 415 Y C 2.859 178.451 175.900 -0.513 0.000 1.130 415 Y CA 1.225 59.360 58.100 0.059 0.000 1.254 415 Y CB -0.502 38.850 38.460 1.486 0.000 1.000 415 Y HN 0.272 nan 8.280 nan 0.000 0.554 416 T N -0.667 113.487 114.554 -0.667 0.000 2.770 416 T HA -0.170 4.214 4.350 0.056 0.000 0.258 416 T C 1.457 175.933 174.700 -0.373 0.000 1.039 416 T CA 1.556 63.346 62.100 -0.516 0.000 1.143 416 T CB -0.397 68.226 68.868 -0.407 0.000 0.866 416 T HN 0.320 nan 8.240 nan 0.000 0.428 417 D N 0.707 120.833 120.400 -0.457 0.000 2.116 417 D HA -0.137 4.537 4.640 0.056 0.000 0.193 417 D C 2.242 178.381 176.300 -0.269 0.000 0.998 417 D CA 1.669 55.423 54.000 -0.410 0.000 0.836 417 D CB -0.475 39.900 40.800 -0.710 0.000 0.951 417 D HN 0.252 nan 8.370 nan 0.000 0.449 418 T N -1.068 113.321 114.554 -0.274 0.000 2.881 418 T HA -0.130 4.254 4.350 0.056 0.000 0.270 418 T C 1.625 176.206 174.700 -0.200 0.000 1.068 418 T CA 1.141 63.123 62.100 -0.196 0.000 1.131 418 T CB -0.188 68.563 68.868 -0.195 0.000 0.871 418 T HN 0.156 nan 8.240 nan 0.000 0.479 419 Q N 0.655 120.266 119.800 -0.315 0.000 2.291 419 Q HA 0.011 4.385 4.340 0.056 0.000 0.205 419 Q C 2.253 178.148 176.000 -0.175 0.000 0.970 419 Q CA 0.674 56.242 55.803 -0.391 0.000 0.876 419 Q CB -0.421 27.696 28.738 -1.034 0.000 0.935 419 Q HN 0.507 nan 8.270 nan 0.000 0.455 420 I N 1.122 121.636 120.570 -0.092 0.000 2.286 420 I HA -0.216 3.988 4.170 0.056 0.000 0.248 420 I C 2.295 178.422 176.117 0.016 0.000 1.115 420 I CA 1.730 63.038 61.300 0.015 0.000 1.392 420 I CB -1.334 36.675 38.000 0.015 0.000 1.065 420 I HN 0.192 nan 8.210 nan 0.000 0.418 421 S N 0.392 116.084 115.700 -0.012 0.000 2.404 421 S HA -0.073 4.431 4.470 0.056 0.000 0.223 421 S C 2.142 176.743 174.600 0.003 0.000 1.040 421 S CA 0.187 58.392 58.200 0.008 0.000 0.957 421 S CB -0.417 62.788 63.200 0.009 0.000 0.826 421 S HN 0.315 nan 8.310 nan 0.000 0.491 422 R N 1.105 121.586 120.500 -0.032 0.000 2.091 422 R HA 0.099 4.473 4.340 0.056 0.000 0.238 422 R C 1.356 177.641 176.300 -0.026 0.000 1.136 422 R CA 1.529 57.610 56.100 -0.032 0.000 0.959 422 R CB -0.267 29.994 30.300 -0.065 0.000 0.856 422 R HN 0.468 nan 8.270 nan 0.000 0.437 423 L N -1.062 120.138 121.223 -0.039 0.000 2.857 423 L HA 0.352 4.726 4.340 0.056 0.000 0.249 423 L C 0.846 177.733 176.870 0.027 0.000 1.172 423 L CA 0.272 55.101 54.840 -0.019 0.000 0.980 423 L CB 1.204 43.247 42.059 -0.026 0.000 1.299 423 L HN 0.562 nan 8.230 nan 0.000 0.535 424 G N 0.013 108.850 108.800 0.060 0.000 2.157 424 G HA2 -0.096 3.898 3.960 0.056 0.000 0.248 424 G HA3 -0.096 3.898 3.960 0.056 0.000 0.248 424 G C 0.427 175.444 174.900 0.195 0.000 0.979 424 G CA -0.027 45.148 45.100 0.125 0.000 0.650 424 G HN 0.791 nan 8.290 nan 0.000 0.529 425 G N -1.541 107.369 108.800 0.183 0.000 2.343 425 G HA2 0.607 4.601 3.960 0.056 0.000 0.289 425 G HA3 0.607 4.601 3.960 0.056 0.000 0.289 425 G C -2.184 172.865 174.900 0.248 0.000 1.295 425 G CA 0.396 45.610 45.100 0.189 0.000 0.869 425 G HN 0.472 nan 8.290 nan 0.000 0.522 426 P HA 0.116 nan 4.420 nan 0.000 0.249 426 P C 0.285 177.586 177.300 0.002 0.000 1.229 426 P CA 0.336 63.532 63.100 0.160 0.000 0.788 426 P CB 0.191 31.945 31.700 0.090 0.000 1.072 427 N N 0.493 119.208 118.700 0.026 0.000 2.346 427 N HA 0.048 4.821 4.740 0.056 0.000 0.225 427 N C 1.093 176.460 175.510 -0.238 0.000 1.144 427 N CA -0.140 52.828 53.050 -0.137 0.000 0.837 427 N CB -0.683 37.755 38.487 -0.082 0.000 1.069 427 N HN 0.273 nan 8.380 nan 0.000 0.487 428 F N 0.938 120.882 119.950 -0.009 0.000 2.307 428 F HA -0.129 4.443 4.527 0.075 0.000 0.301 428 F C 2.233 177.976 175.800 -0.095 0.000 1.076 428 F CA 0.887 58.850 58.000 -0.061 0.000 1.383 428 F CB -0.826 38.154 39.000 -0.033 0.000 1.055 428 F HN 0.189 nan 8.300 nan 0.000 0.526 429 H N 0.367 119.115 119.070 -0.537 0.000 2.546 429 H HA 0.076 4.665 4.556 0.054 0.000 0.277 429 H C 0.992 176.175 175.328 -0.242 0.000 1.004 429 H CA 1.295 57.112 56.048 -0.384 0.000 1.231 429 H CB -0.783 28.613 29.762 -0.611 0.000 1.382 429 H HN 0.516 nan 8.280 nan 0.000 0.580 430 E N 1.002 120.750 120.200 -0.753 0.000 2.435 430 E HA 0.145 4.529 4.350 0.056 0.000 0.195 430 E C 0.381 176.861 176.600 -0.200 0.000 1.029 430 E CA -0.233 55.906 56.400 -0.435 0.000 0.865 430 E CB 0.386 29.841 29.700 -0.408 0.000 0.833 430 E HN 0.443 nan 8.360 nan 0.000 0.510 431 I N 2.694 123.170 120.570 -0.156 0.000 2.668 431 I HA -0.065 4.139 4.170 0.056 0.000 0.285 431 I C -1.570 174.489 176.117 -0.098 0.000 1.168 431 I CA -1.303 59.938 61.300 -0.099 0.000 1.424 431 I CB 0.518 38.474 38.000 -0.074 0.000 1.377 431 I HN -0.183 nan 8.210 nan 0.000 0.560 432 P HA -0.254 nan 4.420 nan 0.000 0.217 432 P C 1.714 178.943 177.300 -0.118 0.000 1.158 432 P CA 1.310 64.353 63.100 -0.094 0.000 0.887 432 P CB 0.167 31.817 31.700 -0.083 0.000 0.792 433 I N -0.948 119.527 120.570 -0.159 0.000 2.454 433 I HA -0.165 4.039 4.170 0.056 0.000 0.254 433 I C 1.330 177.384 176.117 -0.105 0.000 1.156 433 I CA 1.640 62.802 61.300 -0.231 0.000 1.433 433 I CB -0.645 37.100 38.000 -0.424 0.000 1.082 433 I HN -0.113 nan 8.210 nan 0.000 0.432 434 N N 0.616 119.268 118.700 -0.081 0.000 2.422 434 N HA 0.044 4.818 4.740 0.056 0.000 0.181 434 N C 0.323 175.848 175.510 0.025 0.000 1.080 434 N CA 0.205 53.234 53.050 -0.035 0.000 0.893 434 N CB -0.058 38.424 38.487 -0.008 0.000 0.973 434 N HN 0.372 nan 8.380 nan 0.000 0.456 435 R N 1.462 121.972 120.500 0.017 0.000 2.590 435 R HA 0.168 4.542 4.340 0.056 0.000 0.274 435 R C -2.182 174.185 176.300 0.111 0.000 1.061 435 R CA -1.143 54.971 56.100 0.022 0.000 1.081 435 R CB -0.094 30.203 30.300 -0.006 0.000 0.984 435 R HN 0.022 nan 8.270 nan 0.000 0.448 436 P HA 0.007 nan 4.420 nan 0.000 0.272 436 P C 0.489 177.866 177.300 0.128 0.000 1.230 436 P CA -0.019 63.166 63.100 0.141 0.000 0.788 436 P CB 0.692 32.437 31.700 0.076 0.000 0.949 437 T N -3.319 111.321 114.554 0.144 0.000 3.044 437 T HA 0.083 4.467 4.350 0.056 0.000 0.250 437 T C 0.914 175.656 174.700 0.070 0.000 1.081 437 T CA -0.010 62.126 62.100 0.060 0.000 1.040 437 T CB -1.001 67.879 68.868 0.021 0.000 0.962 437 T HN 0.568 nan 8.240 nan 0.000 0.506 438 C N 1.087 120.446 119.300 0.097 0.000 2.345 438 C HA 0.780 5.274 4.460 0.056 0.000 0.369 438 C C -2.486 172.559 174.990 0.091 0.000 1.273 438 C CA -2.485 56.587 59.018 0.090 0.000 2.310 438 C CB 0.023 27.823 27.740 0.100 0.000 2.219 438 C HN 0.140 nan 8.230 nan 0.000 0.587 439 P HA 0.313 nan 4.420 nan 0.000 0.269 439 P C -1.264 176.092 177.300 0.094 0.000 1.209 439 P CA 0.400 63.555 63.100 0.092 0.000 0.776 439 P CB 0.016 31.819 31.700 0.171 0.000 0.876 440 Y N 0.844 121.015 120.300 -0.216 0.000 2.396 440 Y HA 0.647 5.234 4.550 0.061 0.000 0.332 440 Y C -1.472 174.090 175.900 -0.564 0.000 1.034 440 Y CA -0.866 57.094 58.100 -0.232 0.000 1.057 440 Y CB 1.369 39.727 38.460 -0.171 0.000 1.220 440 Y HN 0.454 nan 8.280 nan 0.000 0.440 441 H N 3.844 122.819 119.070 -0.158 0.000 2.947 441 H HA 0.527 5.117 4.556 0.057 0.000 0.354 441 H C -1.206 174.017 175.328 -0.175 0.000 1.085 441 H CA -0.769 55.100 56.048 -0.297 0.000 1.253 441 H CB 1.698 31.313 29.762 -0.245 0.000 1.757 441 H HN 0.897 nan 8.280 nan 0.000 0.523 442 N N 0.385 118.996 118.700 -0.149 0.000 3.449 442 N HA 0.180 4.954 4.740 0.056 0.000 0.312 442 N C -1.229 174.064 175.510 -0.363 0.000 1.557 442 N CA -0.917 51.997 53.050 -0.227 0.000 0.864 442 N CB 0.653 39.158 38.487 0.030 0.000 1.799 442 N HN 0.301 nan 8.380 nan 0.000 0.554 443 F N -0.318 119.677 119.950 0.074 0.000 2.641 443 F HA 0.365 4.925 4.527 0.055 0.000 0.302 443 F C 0.420 176.263 175.800 0.072 0.000 1.098 443 F CA -0.329 57.707 58.000 0.060 0.000 1.318 443 F CB 0.228 39.255 39.000 0.045 0.000 1.035 443 F HN 0.137 nan 8.300 nan 0.000 0.551 444 Q N 1.521 121.431 119.800 0.184 0.000 2.327 444 Q HA 0.457 4.831 4.340 0.056 0.000 0.254 444 Q C 0.026 176.103 176.000 0.129 0.000 0.952 444 Q CA -0.178 55.711 55.803 0.143 0.000 0.884 444 Q CB 1.187 29.985 28.738 0.100 0.000 1.224 444 Q HN 0.091 nan 8.270 nan 0.000 0.422 445 R N 1.557 122.125 120.500 0.114 0.000 2.799 445 R HA 0.342 4.716 4.340 0.056 0.000 0.270 445 R C -0.600 175.746 176.300 0.076 0.000 1.010 445 R CA -0.637 55.521 56.100 0.097 0.000 0.916 445 R CB 1.104 31.464 30.300 0.100 0.000 1.228 445 R HN 0.716 nan 8.270 nan 0.000 0.469 446 D N -0.066 120.371 120.400 0.062 0.000 3.396 446 D HA -0.208 4.466 4.640 0.056 0.000 0.196 446 D C 0.456 176.782 176.300 0.043 0.000 1.347 446 D CA 2.045 56.072 54.000 0.044 0.000 1.106 446 D CB -1.126 39.697 40.800 0.039 0.000 0.619 446 D HN 0.909 nan 8.370 nan 0.000 0.728 447 G N -1.202 107.617 108.800 0.032 0.000 2.733 447 G HA2 0.115 4.109 3.960 0.056 0.000 0.686 447 G HA3 0.115 4.109 3.960 0.056 0.000 0.686 447 G C -0.206 174.697 174.900 0.006 0.000 1.373 447 G CA 0.129 45.247 45.100 0.031 0.000 0.838 447 G HN 0.796 nan 8.290 nan 0.000 0.588 448 M N 1.344 120.939 119.600 -0.009 0.000 2.250 448 M HA 0.460 4.974 4.480 0.056 0.000 0.337 448 M C 1.149 177.405 176.300 -0.072 0.000 1.161 448 M CA 1.205 56.428 55.300 -0.128 0.000 1.088 448 M CB -0.661 31.846 32.600 -0.156 0.000 1.639 448 M HN 1.246 nan 8.290 nan 0.000 0.447 449 H N 0.028 119.101 119.070 0.005 0.000 2.819 449 H HA -0.158 4.431 4.556 0.054 0.000 0.315 449 H C -0.614 174.703 175.328 -0.018 0.000 1.242 449 H CA 0.592 56.638 56.048 -0.003 0.000 1.157 449 H CB -1.513 28.249 29.762 -0.000 0.000 1.451 449 H HN 0.576 nan 8.280 nan 0.000 0.430 450 R N 1.284 121.809 120.500 0.041 0.000 2.267 450 R HA 0.194 4.568 4.340 0.056 0.000 0.319 450 R C 0.822 177.134 176.300 0.020 0.000 1.067 450 R CA -0.259 55.857 56.100 0.027 0.000 0.936 450 R CB 0.395 30.709 30.300 0.023 0.000 1.006 450 R HN 0.289 nan 8.270 nan 0.000 0.452 451 M N 2.434 122.036 119.600 0.002 0.000 2.398 451 M HA 0.236 4.749 4.480 0.056 0.000 0.261 451 M C 0.916 177.215 176.300 -0.002 0.000 1.125 451 M CA 1.001 56.299 55.300 -0.003 0.000 1.183 451 M CB -0.860 31.724 32.600 -0.026 0.000 1.322 451 M HN 0.713 nan 8.290 nan 0.000 0.467 452 G N 2.050 110.852 108.800 0.003 0.000 2.313 452 G HA2 0.359 4.353 3.960 0.056 0.000 0.250 452 G HA3 0.359 4.353 3.960 0.056 0.000 0.250 452 G C -0.349 174.551 174.900 0.000 0.000 1.281 452 G CA -0.324 44.776 45.100 -0.000 0.000 0.917 452 G HN 0.326 nan 8.290 nan 0.000 0.501 453 I N 2.880 123.444 120.570 -0.011 0.000 2.306 453 I HA 0.104 4.308 4.170 0.056 0.000 0.288 453 I C -0.237 175.874 176.117 -0.010 0.000 1.036 453 I CA -0.557 60.741 61.300 -0.004 0.000 1.221 453 I CB 1.050 39.048 38.000 -0.004 0.000 1.385 453 I HN 0.364 nan 8.210 nan 0.000 0.472 454 D N 4.935 125.335 120.400 -0.001 0.000 2.348 454 D HA 0.062 4.736 4.640 0.056 0.000 0.253 454 D C 1.166 177.469 176.300 0.005 0.000 1.161 454 D CA 0.249 54.246 54.000 -0.004 0.000 0.876 454 D CB 1.793 42.599 40.800 0.010 0.000 1.160 454 D HN 0.583 nan 8.370 nan 0.000 0.459 455 T N -0.783 113.768 114.554 -0.003 0.000 3.069 455 T HA -0.055 4.329 4.350 0.056 0.000 0.252 455 T C 0.810 175.518 174.700 0.014 0.000 1.053 455 T CA -0.543 61.559 62.100 0.003 0.000 0.964 455 T CB 0.163 69.026 68.868 -0.009 0.000 1.005 455 T HN 0.114 nan 8.240 nan 0.000 0.532 456 N N 3.286 121.996 118.700 0.017 0.000 2.411 456 N HA 0.105 4.879 4.740 0.056 0.000 0.261 456 N C -1.681 173.870 175.510 0.067 0.000 1.248 456 N CA -1.541 51.531 53.050 0.037 0.000 0.885 456 N CB 1.479 39.989 38.487 0.038 0.000 1.062 456 N HN 0.055 nan 8.380 nan 0.000 0.471 457 P HA -0.027 nan 4.420 nan 0.000 0.219 457 P C -0.546 176.818 177.300 0.107 0.000 1.146 457 P CA 0.924 64.071 63.100 0.079 0.000 0.808 457 P CB 0.198 31.941 31.700 0.071 0.000 0.779 458 A N 0.650 123.524 122.820 0.090 0.000 2.306 458 A HA 0.393 4.747 4.320 0.056 0.000 0.314 458 A C 0.526 178.218 177.584 0.180 0.000 1.164 458 A CA -0.609 51.437 52.037 0.016 0.000 0.822 458 A CB -0.062 18.767 19.000 -0.285 0.000 1.130 458 A HN 0.286 nan 8.150 nan 0.000 0.496 459 N N 0.159 118.986 118.700 0.211 0.000 2.291 459 N HA 0.338 5.112 4.740 0.056 0.000 0.244 459 N C -0.844 174.810 175.510 0.240 0.000 1.216 459 N CA -0.377 52.886 53.050 0.355 0.000 0.879 459 N CB 0.327 38.978 38.487 0.274 0.000 1.167 459 N HN 0.683 nan 8.380 nan 0.000 0.515 460 Y N -0.913 119.236 120.300 -0.252 0.000 2.597 460 Y HA 0.688 5.271 4.550 0.055 0.000 0.340 460 Y C -1.348 173.924 175.900 -1.048 0.000 1.097 460 Y CA -1.380 56.409 58.100 -0.518 0.000 1.037 460 Y CB 1.056 39.381 38.460 -0.225 0.000 1.305 460 Y HN 0.063 nan 8.280 nan 0.000 0.463 461 E N 0.980 120.671 120.200 -0.849 0.000 2.367 461 E HA 0.665 5.048 4.350 0.056 0.000 0.273 461 E C -3.105 173.386 176.600 -0.183 0.000 0.903 461 E CA -2.169 53.861 56.400 -0.617 0.000 0.764 461 E CB 1.534 30.845 29.700 -0.649 0.000 1.252 461 E HN 0.558 nan 8.360 nan 0.000 0.446 462 P HA 0.256 nan 4.420 nan 0.000 0.275 462 P C -1.290 175.963 177.300 -0.079 0.000 1.227 462 P CA -0.445 62.585 63.100 -0.115 0.000 0.781 462 P CB 0.489 32.157 31.700 -0.054 0.000 0.906 463 N N -1.238 117.344 118.700 -0.198 0.000 2.229 463 N HA 0.324 5.098 4.740 0.056 0.000 0.298 463 N C 0.366 175.836 175.510 -0.067 0.000 1.114 463 N CA -0.766 52.191 53.050 -0.155 0.000 0.776 463 N CB 1.493 39.602 38.487 -0.631 0.000 1.501 463 N HN 0.192 nan 8.380 nan 0.000 0.474 464 S N 0.812 116.520 115.700 0.013 0.000 2.492 464 S HA -0.018 4.486 4.470 0.056 0.000 0.218 464 S C 1.546 176.164 174.600 0.030 0.000 1.016 464 S CA 0.115 58.323 58.200 0.014 0.000 0.916 464 S CB -0.818 62.400 63.200 0.030 0.000 0.791 464 S HN 0.711 nan 8.310 nan 0.000 0.513 465 I N -0.748 119.849 120.570 0.044 0.000 2.830 465 I HA 0.235 4.439 4.170 0.056 0.000 0.263 465 I C 1.354 177.508 176.117 0.060 0.000 1.230 465 I CA 1.194 62.531 61.300 0.061 0.000 1.480 465 I CB -0.393 37.662 38.000 0.093 0.000 1.095 465 I HN 0.165 nan 8.210 nan 0.000 0.455 466 N N 1.124 119.858 118.700 0.056 0.000 2.291 466 N HA 0.035 4.809 4.740 0.056 0.000 0.244 466 N C -0.101 175.522 175.510 0.188 0.000 1.216 466 N CA -0.019 53.104 53.050 0.123 0.000 0.879 466 N CB -0.009 38.564 38.487 0.144 0.000 1.167 466 N HN 0.198 nan 8.380 nan 0.000 0.515 467 D N 0.710 121.169 120.400 0.098 0.000 2.772 467 D HA -0.256 4.418 4.640 0.056 0.000 0.233 467 D C -0.030 176.164 176.300 -0.175 0.000 1.143 467 D CA 0.970 54.992 54.000 0.036 0.000 0.700 467 D CB -1.354 39.554 40.800 0.180 0.000 1.076 467 D HN 0.468 nan 8.370 nan 0.000 0.430 468 N N -1.715 116.906 118.700 -0.132 0.000 2.778 468 N HA -0.252 4.522 4.740 0.056 0.000 0.249 468 N C -0.732 174.686 175.510 -0.154 0.000 1.069 468 N CA 1.452 54.390 53.050 -0.187 0.000 0.831 468 N CB -1.281 37.048 38.487 -0.262 0.000 1.142 468 N HN 0.532 nan 8.380 nan 0.000 0.573 469 W N 1.193 122.546 121.300 0.087 0.000 2.313 469 W HA 0.409 5.102 4.660 0.055 0.000 0.328 469 W C -1.592 174.957 176.519 0.051 0.000 1.197 469 W CA -1.570 55.805 57.345 0.050 0.000 1.235 469 W CB 0.387 29.826 29.460 -0.036 0.000 1.158 469 W HN -0.032 nan 8.180 nan 0.000 0.578 470 P HA 0.121 nan 4.420 nan 0.000 0.271 470 P C -0.665 176.764 177.300 0.215 0.000 1.218 470 P CA 0.024 63.244 63.100 0.200 0.000 0.780 470 P CB 0.863 32.533 31.700 -0.049 0.000 0.901 471 R N 1.460 122.072 120.500 0.187 0.000 2.532 471 R HA 0.279 4.653 4.340 0.056 0.000 0.295 471 R C 0.352 176.682 176.300 0.050 0.000 0.968 471 R CA -0.813 55.266 56.100 -0.035 0.000 0.916 471 R CB 1.122 31.180 30.300 -0.403 0.000 1.124 471 R HN 0.504 nan 8.270 nan 0.000 0.463 472 E N 0.902 121.124 120.200 0.037 0.000 2.492 472 E HA -0.041 4.343 4.350 0.056 0.000 0.266 472 E C -0.511 176.113 176.600 0.039 0.000 1.047 472 E CA 0.843 57.273 56.400 0.050 0.000 0.968 472 E CB 0.483 30.203 29.700 0.033 0.000 0.960 472 E HN 0.371 nan 8.360 nan 0.000 0.452 473 T N 3.629 118.218 114.554 0.058 0.000 2.841 473 T HA 0.340 4.724 4.350 0.056 0.000 0.285 473 T C -2.448 172.278 174.700 0.042 0.000 0.991 473 T CA -1.587 60.545 62.100 0.053 0.000 0.966 473 T CB 1.494 70.406 68.868 0.072 0.000 0.962 473 T HN 0.224 nan 8.240 nan 0.000 0.438 474 P HA 0.228 nan 4.420 nan 0.000 0.269 474 P C -2.383 174.923 177.300 0.010 0.000 1.209 474 P CA -1.194 61.914 63.100 0.014 0.000 0.776 474 P CB -0.319 31.384 31.700 0.006 0.000 0.876 475 P HA 0.214 nan 4.420 nan 0.000 0.268 475 P C 0.016 177.303 177.300 -0.022 0.000 1.208 475 P CA 0.461 63.545 63.100 -0.027 0.000 0.777 475 P CB 0.640 32.303 31.700 -0.063 0.000 0.875 476 G N 1.241 110.026 108.800 -0.024 0.000 2.548 476 G HA2 0.399 4.393 3.960 0.056 0.000 0.301 476 G HA3 0.399 4.393 3.960 0.056 0.000 0.301 476 G C -2.520 172.367 174.900 -0.021 0.000 1.349 476 G CA -0.728 44.362 45.100 -0.017 0.000 0.792 476 G HN 0.186 nan 8.290 nan 0.000 0.481 477 P HA 0.068 nan 4.420 nan 0.000 0.223 477 P C 0.233 177.527 177.300 -0.009 0.000 1.151 477 P CA 1.163 64.252 63.100 -0.017 0.000 0.787 477 P CB 0.479 32.171 31.700 -0.012 0.000 0.788 478 K N -1.233 119.168 120.400 0.003 0.000 2.578 478 K HA 0.269 4.623 4.320 0.056 0.000 0.269 478 K C -0.291 176.325 176.600 0.027 0.000 0.941 478 K CA -0.732 55.564 56.287 0.015 0.000 0.847 478 K CB 1.146 33.656 32.500 0.017 0.000 1.397 478 K HN -0.412 nan 8.250 nan 0.000 0.422 479 R N -0.286 120.238 120.500 0.040 0.000 3.741 479 R HA -0.155 4.219 4.340 0.056 0.000 0.292 479 R C -0.112 176.218 176.300 0.051 0.000 1.176 479 R CA 1.137 57.268 56.100 0.052 0.000 0.794 479 R CB -2.355 27.975 30.300 0.050 0.000 1.213 479 R HN 0.823 nan 8.270 nan 0.000 0.494 480 G N -0.761 108.063 108.800 0.040 0.000 2.477 480 G HA2 0.584 4.578 3.960 0.056 0.000 0.304 480 G HA3 0.584 4.578 3.960 0.056 0.000 0.304 480 G C 0.418 175.351 174.900 0.055 0.000 1.175 480 G CA 0.096 45.218 45.100 0.036 0.000 0.907 480 G HN 0.259 nan 8.290 nan 0.000 0.509 481 G N -1.125 107.710 108.800 0.058 0.000 2.569 481 G HA2 0.401 4.395 3.960 0.056 0.000 0.249 481 G HA3 0.401 4.395 3.960 0.056 0.000 0.249 481 G C -0.611 174.344 174.900 0.093 0.000 1.216 481 G CA -0.571 44.586 45.100 0.094 0.000 0.845 481 G HN 0.487 nan 8.290 nan 0.000 0.568 482 F N 0.403 120.369 119.950 0.027 0.000 2.467 482 F HA 0.402 4.966 4.527 0.062 0.000 0.362 482 F C 0.520 176.335 175.800 0.026 0.000 1.090 482 F CA -0.263 57.749 58.000 0.020 0.000 1.202 482 F CB 0.873 39.887 39.000 0.023 0.000 1.113 482 F HN 0.447 nan 8.300 nan 0.000 0.541 483 E N 4.070 123.951 120.200 -0.531 0.000 2.256 483 E HA 0.314 4.698 4.350 0.056 0.000 0.268 483 E C -1.110 175.185 176.600 -0.509 0.000 0.877 483 E CA -0.822 55.404 56.400 -0.290 0.000 0.757 483 E CB 1.595 31.193 29.700 -0.171 0.000 1.183 483 E HN 0.629 nan 8.360 nan 0.000 0.418 484 S N 2.510 118.141 115.700 -0.115 0.000 2.562 484 S HA -0.011 4.493 4.470 0.056 0.000 0.281 484 S C -0.537 174.055 174.600 -0.012 0.000 1.333 484 S CA -0.310 57.900 58.200 0.016 0.000 1.052 484 S CB 0.111 63.442 63.200 0.217 0.000 0.884 484 S HN 0.464 nan 8.310 nan 0.000 0.506 485 Y N 2.681 122.920 120.300 -0.101 0.000 2.721 485 Y HA -0.047 4.536 4.550 0.055 0.000 0.329 485 Y C 0.928 176.812 175.900 -0.027 0.000 1.211 485 Y CA 0.181 58.232 58.100 -0.081 0.000 1.512 485 Y CB 0.112 38.523 38.460 -0.082 0.000 1.249 485 Y HN 0.582 nan 8.280 nan 0.000 0.549 486 Q N 5.338 124.763 119.800 -0.626 0.000 3.254 486 Q HA 0.014 4.388 4.340 0.056 0.000 0.315 486 Q C -0.148 175.561 176.000 -0.485 0.000 1.405 486 Q CA -0.057 55.497 55.803 -0.414 0.000 0.966 486 Q CB -0.174 28.385 28.738 -0.298 0.000 1.706 486 Q HN 0.659 nan 8.270 nan 0.000 0.525 487 E N 1.335 121.329 120.200 -0.342 0.000 2.392 487 E HA 0.028 4.412 4.350 0.056 0.000 0.264 487 E C -0.256 176.309 176.600 -0.059 0.000 1.024 487 E CA -0.487 55.834 56.400 -0.131 0.000 0.903 487 E CB 0.685 30.451 29.700 0.110 0.000 0.963 487 E HN 0.124 nan 8.360 nan 0.000 0.432 488 R N 2.827 123.318 120.500 -0.016 0.000 2.389 488 R HA 0.236 4.610 4.340 0.056 0.000 0.295 488 R C -1.477 174.843 176.300 0.034 0.000 1.075 488 R CA -0.241 55.860 56.100 0.003 0.000 1.005 488 R CB 0.887 31.196 30.300 0.016 0.000 0.987 488 R HN 0.297 nan 8.270 nan 0.000 0.452 489 V N 5.092 125.021 119.914 0.024 0.000 2.409 489 V HA 0.405 4.559 4.120 0.056 0.000 0.291 489 V C -0.535 175.571 176.094 0.020 0.000 1.020 489 V CA -0.573 61.745 62.300 0.030 0.000 0.848 489 V CB 1.572 33.411 31.823 0.026 0.000 0.990 489 V HN 0.818 nan 8.190 nan 0.000 0.430 490 E N 3.122 123.336 120.200 0.022 0.000 2.281 490 E HA 0.714 5.098 4.350 0.056 0.000 0.266 490 E C -0.053 176.551 176.600 0.007 0.000 0.893 490 E CA -0.432 55.975 56.400 0.012 0.000 0.798 490 E CB 2.505 32.213 29.700 0.012 0.000 1.245 490 E HN 0.947 nan 8.360 nan 0.000 0.410 491 G N 2.520 111.320 108.800 -0.001 0.000 2.315 491 G HA2 0.123 4.117 3.960 0.056 0.000 0.294 491 G HA3 0.123 4.117 3.960 0.056 0.000 0.294 491 G C -1.532 173.361 174.900 -0.012 0.000 1.300 491 G CA -1.013 44.082 45.100 -0.008 0.000 0.843 491 G HN 0.378 nan 8.290 nan 0.000 0.527 492 N N 0.077 118.767 118.700 -0.017 0.000 2.472 492 N HA 0.458 5.232 4.740 0.056 0.000 0.289 492 N C -0.343 175.152 175.510 -0.024 0.000 1.156 492 N CA -0.722 52.316 53.050 -0.019 0.000 0.940 492 N CB 1.256 39.731 38.487 -0.020 0.000 1.200 492 N HN 0.412 nan 8.380 nan 0.000 0.511 493 K N 1.178 121.563 120.400 -0.024 0.000 2.361 493 K HA 0.164 4.518 4.320 0.056 0.000 0.283 493 K C -0.703 175.875 176.600 -0.037 0.000 1.078 493 K CA -0.040 56.229 56.287 -0.030 0.000 1.041 493 K CB -0.314 32.170 32.500 -0.027 0.000 0.932 493 K HN 0.378 nan 8.250 nan 0.000 0.462 494 V N 0.319 120.205 119.914 -0.046 0.000 2.971 494 V HA 0.443 4.597 4.120 0.056 0.000 0.309 494 V C -0.574 175.479 176.094 -0.068 0.000 1.130 494 V CA -1.352 60.916 62.300 -0.052 0.000 0.964 494 V CB 2.001 33.794 31.823 -0.050 0.000 1.029 494 V HN 0.622 nan 8.190 nan 0.000 0.427 495 R N 2.529 122.985 120.500 -0.074 0.000 2.565 495 R HA 0.588 4.962 4.340 0.056 0.000 0.286 495 R C -0.387 175.865 176.300 -0.080 0.000 1.256 495 R CA -0.083 55.961 56.100 -0.093 0.000 1.238 495 R CB 0.596 30.828 30.300 -0.113 0.000 1.153 495 R HN 0.929 nan 8.270 nan 0.000 0.553 496 E N 1.958 122.108 120.200 -0.084 0.000 2.335 496 E HA 0.221 4.605 4.350 0.056 0.000 0.280 496 E C -1.300 175.234 176.600 -0.111 0.000 0.918 496 E CA -1.022 55.331 56.400 -0.078 0.000 0.765 496 E CB 1.594 31.253 29.700 -0.067 0.000 1.218 496 E HN 0.120 nan 8.360 nan 0.000 0.425 497 R N 1.708 122.148 120.500 -0.101 0.000 2.340 497 R HA 0.216 4.590 4.340 0.056 0.000 0.300 497 R C -0.531 175.652 176.300 -0.195 0.000 1.069 497 R CA 0.073 56.079 56.100 -0.157 0.000 0.984 497 R CB 1.172 31.443 30.300 -0.047 0.000 1.003 497 R HN 0.397 nan 8.270 nan 0.000 0.459 498 S N 5.189 120.654 115.700 -0.391 0.000 2.546 498 S HA 0.065 4.569 4.470 0.056 0.000 0.290 498 S C -1.505 173.057 174.600 -0.064 0.000 1.290 498 S CA -1.118 56.922 58.200 -0.267 0.000 1.069 498 S CB 0.585 63.535 63.200 -0.418 0.000 0.846 498 S HN 0.527 nan 8.310 nan 0.000 0.495 499 P HA -0.125 nan 4.420 nan 0.000 0.216 499 P C 1.616 178.964 177.300 0.080 0.000 1.150 499 P CA 1.403 64.519 63.100 0.027 0.000 0.843 499 P CB -0.118 31.589 31.700 0.011 0.000 0.787 500 S N -2.000 113.783 115.700 0.138 0.000 2.469 500 S HA -0.140 4.363 4.470 0.056 0.000 0.238 500 S C 1.481 176.257 174.600 0.293 0.000 0.998 500 S CA 0.960 59.281 58.200 0.202 0.000 0.957 500 S CB -1.441 61.913 63.200 0.257 0.000 0.764 500 S HN -0.021 nan 8.310 nan 0.000 0.514 501 F N 2.239 122.180 119.950 -0.015 0.000 2.780 501 F HA 0.372 4.931 4.527 0.053 0.000 0.299 501 F C 1.983 177.715 175.800 -0.113 0.000 1.146 501 F CA -0.775 57.213 58.000 -0.020 0.000 1.428 501 F CB -0.697 38.325 39.000 0.036 0.000 1.115 501 F HN 0.357 nan 8.300 nan 0.000 0.583 502 G N 0.446 109.238 108.800 -0.014 0.000 3.574 502 G HA2 0.093 4.086 3.960 0.056 0.000 0.262 502 G HA3 0.093 4.086 3.960 0.056 0.000 0.262 502 G C -0.045 174.411 174.900 -0.739 0.000 1.231 502 G CA 0.098 44.990 45.100 -0.347 0.000 1.608 502 G HN 0.042 nan 8.290 nan 0.000 0.628 503 E N 0.127 119.841 120.200 -0.810 0.000 2.263 503 E HA 0.336 4.720 4.350 0.056 0.000 0.268 503 E C -0.868 175.332 176.600 -0.667 0.000 0.884 503 E CA -0.766 55.235 56.400 -0.666 0.000 0.766 503 E CB 1.550 31.099 29.700 -0.252 0.000 1.196 503 E HN 0.202 nan 8.360 nan 0.000 0.416 504 Y N 2.641 122.711 120.300 -0.382 0.000 2.432 504 Y HA 0.196 4.780 4.550 0.057 0.000 0.252 504 Y C 0.726 176.330 175.900 -0.493 0.000 1.097 504 Y CA -0.094 57.686 58.100 -0.533 0.000 1.250 504 Y CB 0.412 38.423 38.460 -0.748 0.000 1.245 504 Y HN 0.430 nan 8.280 nan 0.000 0.522 505 Y N -1.356 119.021 120.300 0.128 0.000 2.483 505 Y HA 0.097 4.682 4.550 0.058 0.000 0.258 505 Y C 2.385 178.343 175.900 0.098 0.000 1.083 505 Y CA 0.196 58.369 58.100 0.122 0.000 1.283 505 Y CB -0.319 38.218 38.460 0.128 0.000 1.178 505 Y HN 0.047 nan 8.280 nan 0.000 0.515 506 S N -0.953 114.874 115.700 0.211 0.000 2.414 506 S HA -0.144 4.360 4.470 0.056 0.000 0.227 506 S C 1.374 176.050 174.600 0.126 0.000 1.022 506 S CA 1.299 59.608 58.200 0.182 0.000 0.958 506 S CB -0.489 62.819 63.200 0.181 0.000 0.797 506 S HN 0.403 nan 8.310 nan 0.000 0.493 507 H N 2.698 121.679 119.070 -0.148 0.000 2.363 507 H HA 0.212 4.803 4.556 0.057 0.000 0.301 507 H C -0.702 174.425 175.328 -0.336 0.000 1.074 507 H CA 1.057 56.871 56.048 -0.390 0.000 1.354 507 H CB -1.716 27.579 29.762 -0.778 0.000 1.397 507 H HN 0.374 nan 8.280 nan 0.000 0.516 508 P HA -0.173 nan 4.420 nan 0.000 0.216 508 P C 1.520 179.002 177.300 0.303 0.000 1.153 508 P CA 1.719 64.961 63.100 0.237 0.000 0.858 508 P CB 0.110 31.977 31.700 0.278 0.000 0.789 509 R N -0.433 120.197 120.500 0.217 0.000 2.066 509 R HA -0.110 4.264 4.340 0.056 0.000 0.232 509 R C 2.175 178.605 176.300 0.217 0.000 1.131 509 R CA 1.088 57.324 56.100 0.227 0.000 0.955 509 R CB -1.125 29.270 30.300 0.158 0.000 0.851 509 R HN 0.035 nan 8.270 nan 0.000 0.432 510 L N 0.561 121.853 121.223 0.115 0.000 2.042 510 L HA -0.156 4.218 4.340 0.056 0.000 0.210 510 L C 1.975 178.904 176.870 0.099 0.000 1.076 510 L CA 1.795 56.665 54.840 0.050 0.000 0.749 510 L CB -0.729 41.285 42.059 -0.074 0.000 0.893 510 L HN 0.275 nan 8.230 nan 0.000 0.432 511 F N -0.848 119.130 119.950 0.047 0.000 2.113 511 F HA -0.251 4.312 4.527 0.059 0.000 0.297 511 F C 2.322 178.123 175.800 0.002 0.000 1.103 511 F CA 2.051 60.060 58.000 0.016 0.000 1.248 511 F CB -0.653 38.393 39.000 0.076 0.000 0.999 511 F HN 0.383 nan 8.300 nan 0.000 0.475 512 W N 1.540 122.839 121.300 -0.002 0.000 2.317 512 W HA -0.264 4.429 4.660 0.056 0.000 0.318 512 W C 1.779 178.179 176.519 -0.198 0.000 1.227 512 W CA 1.969 59.253 57.345 -0.101 0.000 1.269 512 W CB -0.828 28.657 29.460 0.042 0.000 1.155 512 W HN 0.091 nan 8.180 nan 0.000 0.484 513 L N 1.174 122.327 121.223 -0.116 0.000 2.275 513 L HA -0.177 4.197 4.340 0.056 0.000 0.215 513 L C 2.341 179.023 176.870 -0.314 0.000 1.119 513 L CA 1.234 55.936 54.840 -0.229 0.000 0.790 513 L CB -0.720 41.325 42.059 -0.023 0.000 0.919 513 L HN -0.115 nan 8.230 nan 0.000 0.443 514 S N -1.551 113.945 115.700 -0.340 0.000 2.558 514 S HA 0.044 4.548 4.470 0.056 0.000 0.217 514 S C 0.737 175.051 174.600 -0.477 0.000 0.975 514 S CA 0.059 58.055 58.200 -0.340 0.000 0.912 514 S CB 0.030 63.066 63.200 -0.273 0.000 0.776 514 S HN 0.297 nan 8.310 nan 0.000 0.526 515 Q N 2.277 121.684 119.800 -0.653 0.000 2.306 515 Q HA 0.272 4.646 4.340 0.056 0.000 0.241 515 Q C 0.693 176.299 176.000 -0.656 0.000 0.948 515 Q CA -0.050 55.326 55.803 -0.711 0.000 0.886 515 Q CB 0.393 28.635 28.738 -0.826 0.000 1.227 515 Q HN 0.437 nan 8.270 nan 0.000 0.457 516 T N -1.820 112.305 114.554 -0.714 0.000 2.766 516 T HA 0.164 4.548 4.350 0.056 0.000 0.295 516 T C -1.747 172.491 174.700 -0.771 0.000 1.024 516 T CA -1.295 60.347 62.100 -0.762 0.000 1.018 516 T CB 0.324 68.493 68.868 -1.165 0.000 1.002 516 T HN 0.222 nan 8.240 nan 0.000 0.532 517 P HA 0.022 nan 4.420 nan 0.000 0.217 517 P C 1.355 178.444 177.300 -0.352 0.000 1.150 517 P CA 0.884 63.758 63.100 -0.376 0.000 0.832 517 P CB -0.236 31.366 31.700 -0.162 0.000 0.787 518 F N -0.193 119.557 119.950 -0.334 0.000 2.259 518 F HA 0.051 4.612 4.527 0.056 0.000 0.298 518 F C 1.812 177.243 175.800 -0.615 0.000 1.088 518 F CA 0.776 58.514 58.000 -0.436 0.000 1.358 518 F CB -1.680 37.046 39.000 -0.457 0.000 1.040 518 F HN -0.106 nan 8.300 nan 0.000 0.505 519 E N 0.651 120.278 120.200 -0.955 0.000 2.110 519 E HA -0.226 4.157 4.350 0.056 0.000 0.193 519 E C 2.200 178.587 176.600 -0.354 0.000 0.988 519 E CA 1.536 57.592 56.400 -0.573 0.000 0.804 519 E CB -0.316 29.005 29.700 -0.632 0.000 0.745 519 E HN 0.630 nan 8.360 nan 0.000 0.458 520 Q N 0.221 119.729 119.800 -0.485 0.000 2.084 520 Q HA -0.175 4.198 4.340 0.056 0.000 0.202 520 Q C 2.290 178.310 176.000 0.032 0.000 0.978 520 Q CA 1.121 56.658 55.803 -0.443 0.000 0.844 520 Q CB -0.156 28.016 28.738 -0.943 0.000 0.898 520 Q HN 0.147 nan 8.270 nan 0.000 0.426 521 R N 0.068 120.564 120.500 -0.005 0.000 2.115 521 R HA -0.131 4.242 4.340 0.056 0.000 0.226 521 R C 1.622 178.093 176.300 0.286 0.000 1.100 521 R CA 1.318 57.508 56.100 0.151 0.000 0.980 521 R CB -0.084 30.282 30.300 0.110 0.000 0.875 521 R HN 0.479 nan 8.270 nan 0.000 0.445 522 H N -0.243 118.912 119.070 0.142 0.000 2.389 522 H HA -0.036 4.554 4.556 0.056 0.000 0.299 522 H C 2.184 177.619 175.328 0.178 0.000 1.081 522 H CA 1.202 57.348 56.048 0.163 0.000 1.345 522 H CB 0.109 29.969 29.762 0.164 0.000 1.393 522 H HN 0.188 nan 8.280 nan 0.000 0.520 523 I N 0.267 121.045 120.570 0.348 0.000 2.179 523 I HA -0.276 3.928 4.170 0.056 0.000 0.242 523 I C 2.321 178.715 176.117 0.463 0.000 1.088 523 I CA 0.835 62.371 61.300 0.393 0.000 1.357 523 I CB -0.168 38.156 38.000 0.540 0.000 1.051 523 I HN 0.079 nan 8.210 nan 0.000 0.409 524 V N 0.974 121.160 119.914 0.455 0.000 2.282 524 V HA -0.357 3.797 4.120 0.056 0.000 0.249 524 V C 2.060 178.323 176.094 0.282 0.000 1.057 524 V CA 2.253 64.764 62.300 0.352 0.000 1.032 524 V CB -0.691 31.304 31.823 0.286 0.000 0.645 524 V HN 0.440 nan 8.190 nan 0.000 0.447 525 D N 0.212 120.762 120.400 0.250 0.000 2.144 525 D HA -0.083 4.591 4.640 0.056 0.000 0.200 525 D C 2.169 178.541 176.300 0.120 0.000 0.978 525 D CA 1.488 55.601 54.000 0.188 0.000 0.833 525 D CB -0.600 40.314 40.800 0.190 0.000 0.961 525 D HN 0.487 nan 8.370 nan 0.000 0.470 526 G N 0.143 108.989 108.800 0.077 0.000 2.433 526 G HA2 -0.251 3.742 3.960 0.056 0.000 0.216 526 G HA3 -0.251 3.742 3.960 0.056 0.000 0.216 526 G C 1.460 176.344 174.900 -0.028 0.000 1.186 526 G CA 0.228 45.278 45.100 -0.083 0.000 0.779 526 G HN 0.175 nan 8.290 nan 0.000 0.543 527 F N 1.716 121.698 119.950 0.052 0.000 2.134 527 F HA -0.058 4.503 4.527 0.057 0.000 0.299 527 F C 3.155 178.876 175.800 -0.132 0.000 1.097 527 F CA 1.541 59.505 58.000 -0.060 0.000 1.264 527 F CB -0.299 38.670 39.000 -0.053 0.000 1.001 527 F HN 0.081 nan 8.300 nan 0.000 0.479 528 S N -0.103 115.691 115.700 0.157 0.000 2.356 528 S HA -0.209 4.295 4.470 0.056 0.000 0.223 528 S C 1.871 176.493 174.600 0.036 0.000 1.032 528 S CA 1.293 59.535 58.200 0.069 0.000 1.005 528 S CB -0.753 62.508 63.200 0.102 0.000 0.867 528 S HN 0.393 nan 8.310 nan 0.000 0.449 529 F N 2.621 122.530 119.950 -0.069 0.000 2.075 529 F HA -0.103 4.457 4.527 0.055 0.000 0.297 529 F C 2.368 178.106 175.800 -0.102 0.000 1.113 529 F CA 1.512 59.462 58.000 -0.083 0.000 1.218 529 F CB -0.339 38.555 39.000 -0.177 0.000 0.984 529 F HN 0.118 nan 8.300 nan 0.000 0.472 530 E N 0.569 120.801 120.200 0.054 0.000 2.058 530 E HA -0.234 4.150 4.350 0.056 0.000 0.194 530 E C 2.357 178.799 176.600 -0.264 0.000 0.997 530 E CA 1.765 58.157 56.400 -0.014 0.000 0.801 530 E CB -0.570 29.218 29.700 0.147 0.000 0.746 530 E HN 0.483 nan 8.360 nan 0.000 0.450 531 L N 1.213 122.197 121.223 -0.399 0.000 2.217 531 L HA -0.103 4.271 4.340 0.056 0.000 0.211 531 L C 2.667 179.383 176.870 -0.257 0.000 1.107 531 L CA 0.982 55.555 54.840 -0.446 0.000 0.783 531 L CB -0.366 41.440 42.059 -0.422 0.000 0.919 531 L HN 0.130 nan 8.230 nan 0.000 0.442 532 S N -0.484 115.076 115.700 -0.234 0.000 2.474 532 S HA -0.144 4.360 4.470 0.056 0.000 0.235 532 S C 1.716 176.201 174.600 -0.191 0.000 0.997 532 S CA 0.682 58.764 58.200 -0.197 0.000 0.949 532 S CB -0.175 62.899 63.200 -0.209 0.000 0.766 532 S HN 0.404 nan 8.310 nan 0.000 0.517 533 K N 0.723 120.995 120.400 -0.213 0.000 2.404 533 K HA 0.276 4.630 4.320 0.056 0.000 0.194 533 K C -0.422 176.184 176.600 0.010 0.000 1.023 533 K CA -0.087 56.136 56.287 -0.107 0.000 1.094 533 K CB 0.469 32.898 32.500 -0.119 0.000 0.841 533 K HN 0.218 nan 8.250 nan 0.000 0.523 534 V N 1.921 121.823 119.914 -0.021 0.000 2.455 534 V HA -0.035 4.119 4.120 0.056 0.000 0.273 534 V C 1.391 177.477 176.094 -0.014 0.000 1.045 534 V CA 0.054 62.365 62.300 0.018 0.000 0.976 534 V CB 1.401 33.201 31.823 -0.039 0.000 0.993 534 V HN -0.019 nan 8.190 nan 0.000 0.475 535 V N 5.182 125.107 119.914 0.020 0.000 2.535 535 V HA 0.012 4.166 4.120 0.056 0.000 0.246 535 V C 1.303 177.388 176.094 -0.014 0.000 1.045 535 V CA 1.041 63.349 62.300 0.014 0.000 1.058 535 V CB -0.403 31.446 31.823 0.044 0.000 0.689 535 V HN 0.749 nan 8.190 nan 0.000 0.461 536 R N 1.106 121.575 120.500 -0.051 0.000 2.248 536 R HA 0.162 4.536 4.340 0.056 0.000 0.337 536 R C -1.738 174.454 176.300 -0.180 0.000 1.085 536 R CA -1.326 54.718 56.100 -0.092 0.000 0.934 536 R CB 0.557 30.746 30.300 -0.185 0.000 1.034 536 R HN 0.263 nan 8.270 nan 0.000 0.465 537 P HA -0.183 nan 4.420 nan 0.000 0.220 537 P C 0.691 177.954 177.300 -0.062 0.000 1.148 537 P CA 1.049 64.119 63.100 -0.049 0.000 0.803 537 P CB 0.007 31.715 31.700 0.014 0.000 0.782 538 Y N -1.407 118.895 120.300 0.002 0.000 2.403 538 Y HA -0.059 4.524 4.550 0.056 0.000 0.291 538 Y C 1.867 177.774 175.900 0.012 0.000 1.143 538 Y CA 0.660 58.762 58.100 0.003 0.000 1.257 538 Y CB -1.711 36.751 38.460 0.004 0.000 0.984 538 Y HN -0.116 nan 8.280 nan 0.000 0.550 539 I N 0.903 121.019 120.570 -0.756 0.000 2.252 539 I HA -0.230 3.973 4.170 0.056 0.000 0.245 539 I C 2.470 178.490 176.117 -0.163 0.000 1.102 539 I CA 1.291 62.330 61.300 -0.435 0.000 1.385 539 I CB -0.344 37.409 38.000 -0.412 0.000 1.064 539 I HN 0.172 nan 8.210 nan 0.000 0.414 540 R N 0.706 121.105 120.500 -0.168 0.000 2.096 540 R HA -0.178 4.196 4.340 0.056 0.000 0.235 540 R C 2.100 178.347 176.300 -0.088 0.000 1.127 540 R CA 1.408 57.425 56.100 -0.138 0.000 0.968 540 R CB -0.394 29.824 30.300 -0.137 0.000 0.861 540 R HN 0.439 nan 8.270 nan 0.000 0.440 541 E N 0.432 120.603 120.200 -0.049 0.000 2.072 541 E HA -0.140 4.244 4.350 0.056 0.000 0.191 541 E C 2.121 178.724 176.600 0.005 0.000 0.985 541 E CA 0.980 57.373 56.400 -0.013 0.000 0.801 541 E CB 0.036 29.753 29.700 0.028 0.000 0.750 541 E HN 0.258 nan 8.360 nan 0.000 0.452 542 R N 0.169 120.686 120.500 0.028 0.000 2.092 542 R HA -0.073 4.301 4.340 0.056 0.000 0.231 542 R C 2.359 178.684 176.300 0.043 0.000 1.119 542 R CA 0.870 57.002 56.100 0.054 0.000 0.970 542 R CB -0.141 30.213 30.300 0.089 0.000 0.864 542 R HN 0.060 nan 8.270 nan 0.000 0.440 543 V N 0.316 120.247 119.914 0.029 0.000 2.358 543 V HA -0.196 3.957 4.120 0.056 0.000 0.246 543 V C 2.281 178.354 176.094 -0.035 0.000 1.047 543 V CA 1.467 63.793 62.300 0.045 0.000 1.035 543 V CB -0.271 31.589 31.823 0.061 0.000 0.658 543 V HN 0.116 nan 8.190 nan 0.000 0.452 544 V N 0.510 120.378 119.914 -0.077 0.000 2.407 544 V HA -0.324 3.830 4.120 0.056 0.000 0.248 544 V C 2.282 178.331 176.094 -0.075 0.000 1.055 544 V CA 2.481 64.712 62.300 -0.115 0.000 1.049 544 V CB -0.673 31.088 31.823 -0.103 0.000 0.662 544 V HN 0.675 nan 8.190 nan 0.000 0.455 545 D N -0.863 119.528 120.400 -0.016 0.000 2.104 545 D HA -0.213 4.461 4.640 0.056 0.000 0.194 545 D C 2.272 178.645 176.300 0.123 0.000 0.994 545 D CA 1.209 55.232 54.000 0.038 0.000 0.830 545 D CB -0.012 40.832 40.800 0.072 0.000 0.959 545 D HN 0.308 nan 8.370 nan 0.000 0.452 546 Q N -0.181 119.675 119.800 0.093 0.000 2.124 546 Q HA -0.102 4.272 4.340 0.056 0.000 0.202 546 Q C 2.528 178.561 176.000 0.055 0.000 0.977 546 Q CA 0.722 56.595 55.803 0.117 0.000 0.850 546 Q CB -0.303 28.511 28.738 0.126 0.000 0.901 546 Q HN 0.479 nan 8.270 nan 0.000 0.429 547 L N -0.116 121.067 121.223 -0.067 0.000 2.141 547 L HA -0.115 4.259 4.340 0.056 0.000 0.209 547 L C 2.320 179.072 176.870 -0.197 0.000 1.094 547 L CA 0.933 55.654 54.840 -0.197 0.000 0.763 547 L CB -0.664 41.172 42.059 -0.371 0.000 0.908 547 L HN 0.091 nan 8.230 nan 0.000 0.437 548 A N -1.120 121.601 122.820 -0.164 0.000 2.067 548 A HA -0.182 4.172 4.320 0.056 0.000 0.219 548 A C 1.924 179.320 177.584 -0.313 0.000 1.158 548 A CA 1.002 52.904 52.037 -0.226 0.000 0.661 548 A CB -0.711 18.155 19.000 -0.224 0.000 0.801 548 A HN 0.461 nan 8.150 nan 0.000 0.452 549 H N -1.171 117.695 119.070 -0.339 0.000 2.555 549 H HA 0.147 4.738 4.556 0.057 0.000 0.269 549 H C 1.491 176.550 175.328 -0.449 0.000 0.988 549 H CA 1.064 56.772 56.048 -0.567 0.000 1.178 549 H CB 0.230 29.247 29.762 -1.243 0.000 1.373 549 H HN 0.520 nan 8.280 nan 0.000 0.588 550 I N -0.494 119.985 120.570 -0.151 0.000 2.899 550 I HA 0.050 4.253 4.170 0.056 0.000 0.257 550 I C -0.081 175.968 176.117 -0.113 0.000 1.115 550 I CA 0.387 61.662 61.300 -0.042 0.000 1.451 550 I CB 0.696 38.699 38.000 0.004 0.000 1.251 550 I HN -0.027 nan 8.210 nan 0.000 0.456 551 D N -0.155 120.103 120.400 -0.236 0.000 2.878 551 D HA 0.155 4.829 4.640 0.056 0.000 0.211 551 D C 0.184 176.315 176.300 -0.280 0.000 1.271 551 D CA -0.381 53.458 54.000 -0.267 0.000 0.845 551 D CB 1.640 42.131 40.800 -0.515 0.000 1.679 551 D HN -0.056 nan 8.370 nan 0.000 0.536 552 L N 3.019 124.136 121.223 -0.177 0.000 2.156 552 L HA -0.015 4.359 4.340 0.056 0.000 0.208 552 L C 1.112 177.896 176.870 -0.143 0.000 1.095 552 L CA 1.853 56.601 54.840 -0.154 0.000 0.770 552 L CB -0.652 41.345 42.059 -0.103 0.000 0.914 552 L HN 0.553 nan 8.230 nan 0.000 0.439 553 T N 0.922 115.411 114.554 -0.109 0.000 2.770 553 T HA -0.162 4.222 4.350 0.056 0.000 0.263 553 T C 1.876 176.504 174.700 -0.119 0.000 1.039 553 T CA 1.430 63.511 62.100 -0.032 0.000 1.142 553 T CB -0.304 68.638 68.868 0.123 0.000 0.868 553 T HN 0.292 nan 8.240 nan 0.000 0.435 554 L N 1.950 122.938 121.223 -0.390 0.000 1.971 554 L HA -0.095 4.279 4.340 0.056 0.000 0.215 554 L C 2.633 179.267 176.870 -0.394 0.000 1.072 554 L CA 2.310 56.757 54.840 -0.655 0.000 0.758 554 L CB -1.246 40.008 42.059 -1.341 0.000 0.889 554 L HN 0.237 nan 8.230 nan 0.000 0.433 555 A N -1.197 121.406 122.820 -0.361 0.000 1.892 555 A HA -0.307 4.047 4.320 0.056 0.000 0.218 555 A C 2.224 179.703 177.584 -0.174 0.000 1.188 555 A CA 2.125 54.002 52.037 -0.266 0.000 0.631 555 A CB -0.763 18.100 19.000 -0.229 0.000 0.822 555 A HN 0.722 nan 8.150 nan 0.000 0.447 556 Q N -0.982 118.737 119.800 -0.134 0.000 2.124 556 Q HA -0.116 4.258 4.340 0.056 0.000 0.202 556 Q C 2.428 178.395 176.000 -0.055 0.000 0.977 556 Q CA 1.382 57.137 55.803 -0.079 0.000 0.850 556 Q CB -0.354 28.352 28.738 -0.053 0.000 0.901 556 Q HN 0.712 nan 8.270 nan 0.000 0.429 557 A N 0.021 122.811 122.820 -0.049 0.000 1.930 557 A HA -0.104 4.250 4.320 0.056 0.000 0.217 557 A C 2.260 179.840 177.584 -0.006 0.000 1.175 557 A CA 1.116 53.155 52.037 0.002 0.000 0.627 557 A CB -0.445 18.589 19.000 0.057 0.000 0.815 557 A HN 0.204 nan 8.150 nan 0.000 0.443 558 V N -0.200 119.681 119.914 -0.056 0.000 2.323 558 V HA -0.171 3.983 4.120 0.056 0.000 0.244 558 V C 3.052 179.111 176.094 -0.059 0.000 1.041 558 V CA 1.672 63.940 62.300 -0.054 0.000 1.025 558 V CB -1.182 30.557 31.823 -0.140 0.000 0.656 558 V HN 0.588 nan 8.190 nan 0.000 0.451 559 A N 0.124 122.896 122.820 -0.080 0.000 1.948 559 A HA -0.323 4.031 4.320 0.056 0.000 0.220 559 A C 2.332 179.894 177.584 -0.036 0.000 1.177 559 A CA 2.471 54.470 52.037 -0.063 0.000 0.636 559 A CB -0.526 18.434 19.000 -0.067 0.000 0.815 559 A HN 0.564 nan 8.150 nan 0.000 0.449 560 K N -0.577 119.810 120.400 -0.022 0.000 2.097 560 K HA -0.139 4.215 4.320 0.056 0.000 0.205 560 K C 1.286 177.889 176.600 0.004 0.000 1.050 560 K CA 1.411 57.694 56.287 -0.005 0.000 0.938 560 K CB -0.189 32.313 32.500 0.005 0.000 0.718 560 K HN 0.396 nan 8.250 nan 0.000 0.442 561 N N 0.519 119.225 118.700 0.009 0.000 2.512 561 N HA -0.083 4.691 4.740 0.056 0.000 0.183 561 N C 0.755 176.265 175.510 0.000 0.000 1.073 561 N CA 0.646 53.707 53.050 0.020 0.000 0.911 561 N CB 0.193 38.705 38.487 0.041 0.000 0.964 561 N HN 0.181 nan 8.380 nan 0.000 0.447 562 L N -0.872 120.339 121.223 -0.019 0.000 2.693 562 L HA 0.316 4.690 4.340 0.056 0.000 0.235 562 L C 1.175 178.029 176.870 -0.026 0.000 1.127 562 L CA 0.186 55.005 54.840 -0.034 0.000 0.914 562 L CB -0.751 41.274 42.059 -0.058 0.000 1.193 562 L HN 0.176 nan 8.230 nan 0.000 0.502 563 G N 0.822 109.612 108.800 -0.016 0.000 2.160 563 G HA2 -0.268 3.726 3.960 0.056 0.000 0.244 563 G HA3 -0.268 3.726 3.960 0.056 0.000 0.244 563 G C 0.312 175.202 174.900 -0.016 0.000 1.022 563 G CA 0.243 45.336 45.100 -0.012 0.000 0.741 563 G HN 0.296 nan 8.290 nan 0.000 0.508 564 I N 0.001 120.557 120.570 -0.023 0.000 2.460 564 I HA 0.419 4.623 4.170 0.056 0.000 0.298 564 I C 0.231 176.333 176.117 -0.026 0.000 0.989 564 I CA -0.730 60.555 61.300 -0.026 0.000 1.173 564 I CB 1.757 39.735 38.000 -0.038 0.000 1.338 564 I HN 0.026 nan 8.210 nan 0.000 0.456 565 E N 4.611 124.798 120.200 -0.022 0.000 2.166 565 E HA 0.350 4.733 4.350 0.056 0.000 0.275 565 E C -1.137 175.445 176.600 -0.030 0.000 0.941 565 E CA -1.060 55.325 56.400 -0.024 0.000 0.784 565 E CB 2.162 31.851 29.700 -0.017 0.000 1.115 565 E HN 0.262 nan 8.360 nan 0.000 0.399 566 L N 2.700 123.900 121.223 -0.039 0.000 2.456 566 L HA 0.040 4.414 4.340 0.056 0.000 0.272 566 L C 1.070 177.917 176.870 -0.039 0.000 1.189 566 L CA 0.541 55.352 54.840 -0.047 0.000 0.846 566 L CB 0.567 42.590 42.059 -0.062 0.000 1.111 566 L HN 0.566 nan 8.230 nan 0.000 0.475 567 T N -1.565 112.966 114.554 -0.039 0.000 2.816 567 T HA 0.196 4.580 4.350 0.056 0.000 0.282 567 T C 0.862 175.538 174.700 -0.040 0.000 0.993 567 T CA -0.500 61.580 62.100 -0.032 0.000 0.994 567 T CB 0.577 69.429 68.868 -0.026 0.000 1.025 567 T HN 0.599 nan 8.240 nan 0.000 0.529 568 D N 0.481 120.861 120.400 -0.033 0.000 2.106 568 D HA -0.115 4.559 4.640 0.056 0.000 0.191 568 D C 1.596 177.869 176.300 -0.045 0.000 0.997 568 D CA 1.660 55.639 54.000 -0.035 0.000 0.834 568 D CB -0.216 40.568 40.800 -0.026 0.000 0.956 568 D HN 0.672 nan 8.370 nan 0.000 0.448 569 D N -0.122 120.253 120.400 -0.042 0.000 2.157 569 D HA -0.187 4.487 4.640 0.056 0.000 0.191 569 D C 2.046 178.297 176.300 -0.083 0.000 1.004 569 D CA 1.081 55.051 54.000 -0.051 0.000 0.854 569 D CB -0.148 40.630 40.800 -0.037 0.000 0.936 569 D HN 0.351 nan 8.370 nan 0.000 0.446 570 Q N -0.866 118.882 119.800 -0.086 0.000 2.123 570 Q HA -0.037 4.336 4.340 0.056 0.000 0.199 570 Q C 1.903 177.824 176.000 -0.132 0.000 0.966 570 Q CA 0.357 56.084 55.803 -0.126 0.000 0.845 570 Q CB 0.095 28.770 28.738 -0.105 0.000 0.907 570 Q HN 0.216 nan 8.270 nan 0.000 0.439 571 L N 1.055 122.221 121.223 -0.094 0.000 2.265 571 L HA -0.118 4.256 4.340 0.056 0.000 0.215 571 L C 1.188 178.006 176.870 -0.087 0.000 1.117 571 L CA 1.413 56.202 54.840 -0.084 0.000 0.782 571 L CB -0.775 41.249 42.059 -0.059 0.000 0.914 571 L HN 0.272 nan 8.230 nan 0.000 0.441 572 N N -0.452 118.194 118.700 -0.089 0.000 2.270 572 N HA 0.149 4.923 4.740 0.056 0.000 0.198 572 N C 0.450 175.899 175.510 -0.102 0.000 1.117 572 N CA 0.019 53.022 53.050 -0.079 0.000 0.845 572 N CB 0.573 39.025 38.487 -0.058 0.000 0.980 572 N HN 0.252 nan 8.380 nan 0.000 0.486 573 I N 1.782 122.258 120.570 -0.157 0.000 2.505 573 I HA -0.027 4.177 4.170 0.056 0.000 0.287 573 I C 0.398 176.424 176.117 -0.152 0.000 1.104 573 I CA 0.132 61.306 61.300 -0.210 0.000 1.387 573 I CB 0.244 37.994 38.000 -0.417 0.000 1.404 573 I HN -0.172 nan 8.210 nan 0.000 0.528 574 T N 8.153 122.648 114.554 -0.098 0.000 2.908 574 T HA 0.084 4.468 4.350 0.056 0.000 0.301 574 T C -1.992 172.674 174.700 -0.056 0.000 1.019 574 T CA -0.669 61.397 62.100 -0.056 0.000 1.152 574 T CB -0.095 68.760 68.868 -0.022 0.000 0.966 574 T HN 0.374 nan 8.240 nan 0.000 0.540 575 P HA 0.202 nan 4.420 nan 0.000 0.269 575 P C -2.195 175.122 177.300 0.029 0.000 1.215 575 P CA -1.259 61.831 63.100 -0.016 0.000 0.780 575 P CB -0.323 31.378 31.700 0.002 0.000 0.898 576 P HA 0.215 nan 4.420 nan 0.000 0.272 576 P C -2.490 174.866 177.300 0.094 0.000 1.240 576 P CA -1.263 61.909 63.100 0.120 0.000 0.791 576 P CB -0.957 30.862 31.700 0.198 0.000 0.978 577 P HA 0.136 nan 4.420 nan 0.000 0.272 577 P C -0.245 177.105 177.300 0.084 0.000 1.230 577 P CA 0.032 63.181 63.100 0.081 0.000 0.788 577 P CB 0.205 31.955 31.700 0.083 0.000 0.949 578 D N -0.162 120.280 120.400 0.069 0.000 2.378 578 D HA 0.044 4.718 4.640 0.056 0.000 0.238 578 D C -0.098 176.249 176.300 0.078 0.000 1.180 578 D CA 0.145 54.182 54.000 0.061 0.000 0.895 578 D CB 0.343 41.174 40.800 0.052 0.000 1.192 578 D HN -0.013 nan 8.370 nan 0.000 0.438 579 V N 2.528 122.475 119.914 0.056 0.000 2.368 579 V HA 0.038 4.192 4.120 0.056 0.000 0.266 579 V C 0.332 176.512 176.094 0.145 0.000 1.045 579 V CA -0.445 61.912 62.300 0.095 0.000 0.899 579 V CB -0.145 31.629 31.823 -0.081 0.000 1.006 579 V HN 0.589 nan 8.190 nan 0.000 0.470 580 N N 4.485 123.298 118.700 0.188 0.000 2.708 580 N HA -0.240 4.534 4.740 0.056 0.000 0.251 580 N C 1.170 176.745 175.510 0.108 0.000 1.017 580 N CA 1.071 54.218 53.050 0.161 0.000 0.742 580 N CB -0.851 37.779 38.487 0.239 0.000 0.943 580 N HN 1.293 nan 8.380 nan 0.000 0.539 581 G N -2.052 106.798 108.800 0.082 0.000 2.179 581 G HA2 -0.329 3.665 3.960 0.056 0.000 0.260 581 G HA3 -0.329 3.665 3.960 0.056 0.000 0.260 581 G C 0.097 175.027 174.900 0.051 0.000 0.977 581 G CA 0.290 45.425 45.100 0.059 0.000 0.641 581 G HN 0.406 nan 8.290 nan 0.000 0.533 582 L N 1.129 122.385 121.223 0.054 0.000 2.319 582 L HA 0.352 4.726 4.340 0.056 0.000 0.280 582 L C 1.664 178.547 176.870 0.023 0.000 1.099 582 L CA -0.085 54.776 54.840 0.036 0.000 0.828 582 L CB 1.006 43.084 42.059 0.032 0.000 1.150 582 L HN 0.262 nan 8.230 nan 0.000 0.442 583 K N 4.012 124.420 120.400 0.014 0.000 2.397 583 K HA 0.191 4.545 4.320 0.056 0.000 0.202 583 K C -0.399 176.194 176.600 -0.011 0.000 1.022 583 K CA -0.157 56.136 56.287 0.009 0.000 1.141 583 K CB 0.474 32.980 32.500 0.010 0.000 0.857 583 K HN 0.751 nan 8.250 nan 0.000 0.514 584 K N -0.589 119.800 120.400 -0.018 0.000 3.076 584 K HA 0.169 4.523 4.320 0.056 0.000 0.314 584 K C -2.277 174.305 176.600 -0.030 0.000 1.113 584 K CA -0.823 55.437 56.287 -0.044 0.000 0.860 584 K CB 0.275 32.729 32.500 -0.076 0.000 1.435 584 K HN -0.116 nan 8.250 nan 0.000 0.374 585 D N 1.465 121.842 120.400 -0.039 0.000 2.478 585 D HA 0.331 5.005 4.640 0.056 0.000 0.240 585 D C -2.265 174.020 176.300 -0.024 0.000 1.364 585 D CA -1.965 52.031 54.000 -0.007 0.000 0.987 585 D CB 2.243 43.059 40.800 0.028 0.000 1.328 585 D HN 0.271 nan 8.370 nan 0.000 0.584 586 P HA -0.055 nan 4.420 nan 0.000 0.229 586 P C 1.359 178.650 177.300 -0.015 0.000 1.160 586 P CA 0.601 63.671 63.100 -0.050 0.000 0.777 586 P CB 0.211 31.890 31.700 -0.035 0.000 0.814 587 S N -0.522 115.203 115.700 0.041 0.000 2.465 587 S HA -0.122 4.381 4.470 0.056 0.000 0.241 587 S C 1.712 176.401 174.600 0.147 0.000 1.000 587 S CA 0.954 59.215 58.200 0.102 0.000 0.964 587 S CB -1.537 61.745 63.200 0.137 0.000 0.763 587 S HN 0.141 nan 8.310 nan 0.000 0.512 588 L N 1.176 122.450 121.223 0.086 0.000 2.395 588 L HA 0.158 4.532 4.340 0.056 0.000 0.218 588 L C 1.579 178.348 176.870 -0.169 0.000 1.130 588 L CA 0.342 55.223 54.840 0.069 0.000 0.826 588 L CB -0.416 41.668 42.059 0.042 0.000 0.941 588 L HN 0.353 nan 8.230 nan 0.000 0.451 589 S N -0.410 115.170 115.700 -0.200 0.000 2.586 589 S HA 0.281 4.785 4.470 0.056 0.000 0.274 589 S C 1.073 175.549 174.600 -0.206 0.000 1.281 589 S CA -0.646 57.378 58.200 -0.294 0.000 1.035 589 S CB 1.333 64.356 63.200 -0.295 0.000 0.962 589 S HN 0.165 nan 8.310 nan 0.000 0.512 590 L N 3.198 124.211 121.223 -0.349 0.000 2.156 590 L HA 0.004 4.378 4.340 0.056 0.000 0.208 590 L C 0.858 177.435 176.870 -0.490 0.000 1.095 590 L CA 1.124 55.661 54.840 -0.506 0.000 0.770 590 L CB -0.279 41.181 42.059 -0.999 0.000 0.914 590 L HN 0.767 nan 8.230 nan 0.000 0.439 591 Y N -2.380 117.909 120.300 -0.017 0.000 2.423 591 Y HA 0.328 4.912 4.550 0.057 0.000 0.257 591 Y C 2.208 178.120 175.900 0.021 0.000 1.087 591 Y CA -0.198 57.938 58.100 0.060 0.000 1.258 591 Y CB -0.555 37.974 38.460 0.116 0.000 1.237 591 Y HN -0.059 nan 8.280 nan 0.000 0.517 592 A N 0.862 123.697 122.820 0.026 0.000 1.917 592 A HA -0.131 4.223 4.320 0.056 0.000 0.219 592 A C 0.975 178.590 177.584 0.052 0.000 1.182 592 A CA 1.288 53.321 52.037 -0.007 0.000 0.633 592 A CB -0.847 18.097 19.000 -0.094 0.000 0.819 592 A HN 0.311 nan 8.150 nan 0.000 0.448 593 I N 0.739 121.345 120.570 0.061 0.000 2.328 593 I HA 0.237 4.441 4.170 0.056 0.000 0.287 593 I C -2.505 173.680 176.117 0.114 0.000 1.012 593 I CA -2.189 59.156 61.300 0.075 0.000 1.195 593 I CB 1.621 39.655 38.000 0.056 0.000 1.350 593 I HN 0.014 nan 8.210 nan 0.000 0.464 594 P HA 0.005 nan 4.420 nan 0.000 0.263 594 P C -0.446 176.929 177.300 0.124 0.000 1.195 594 P CA 0.236 63.429 63.100 0.154 0.000 0.762 594 P CB 0.364 32.140 31.700 0.127 0.000 0.799 595 D N 1.667 122.149 120.400 0.136 0.000 2.785 595 D HA 0.102 4.776 4.640 0.056 0.000 0.324 595 D C 0.392 176.750 176.300 0.096 0.000 1.523 595 D CA -0.432 53.629 54.000 0.102 0.000 0.789 595 D CB -0.345 40.510 40.800 0.092 0.000 1.171 595 D HN 0.297 nan 8.370 nan 0.000 0.447 596 G N 0.285 109.152 108.800 0.113 0.000 2.398 596 G HA2 0.352 4.346 3.960 0.056 0.000 0.246 596 G HA3 0.352 4.346 3.960 0.056 0.000 0.246 596 G C -0.727 174.210 174.900 0.063 0.000 1.289 596 G CA -0.079 45.082 45.100 0.100 0.000 0.869 596 G HN 0.176 nan 8.290 nan 0.000 0.543 597 D N 0.913 121.340 120.400 0.045 0.000 2.696 597 D HA 0.239 4.913 4.640 0.056 0.000 0.251 597 D C 0.975 177.283 176.300 0.014 0.000 1.188 597 D CA -0.633 53.380 54.000 0.022 0.000 0.876 597 D CB 1.962 42.768 40.800 0.009 0.000 1.334 597 D HN 0.287 nan 8.370 nan 0.000 0.540 598 V N 1.740 121.656 119.914 0.002 0.000 3.406 598 V HA 0.239 4.393 4.120 0.056 0.000 0.263 598 V C 0.995 177.064 176.094 -0.042 0.000 1.172 598 V CA 0.087 62.382 62.300 -0.008 0.000 1.140 598 V CB -0.773 31.043 31.823 -0.012 0.000 0.784 598 V HN 0.422 nan 8.190 nan 0.000 0.467 599 K N 1.404 121.772 120.400 -0.053 0.000 2.447 599 K HA 0.378 4.732 4.320 0.056 0.000 0.281 599 K C 1.239 177.780 176.600 -0.098 0.000 1.031 599 K CA 1.021 57.252 56.287 -0.094 0.000 1.019 599 K CB 0.073 32.528 32.500 -0.075 0.000 0.918 599 K HN 0.735 nan 8.250 nan 0.000 0.476 600 G N 3.152 111.843 108.800 -0.182 0.000 2.176 600 G HA2 -0.212 3.782 3.960 0.056 0.000 0.253 600 G HA3 -0.212 3.782 3.960 0.056 0.000 0.253 600 G C 0.090 174.993 174.900 0.005 0.000 0.979 600 G CA -0.196 44.854 45.100 -0.083 0.000 0.641 600 G HN 0.552 nan 8.290 nan 0.000 0.530 601 R N -0.458 120.023 120.500 -0.031 0.000 2.574 601 R HA 0.722 5.096 4.340 0.056 0.000 0.266 601 R C 0.231 176.569 176.300 0.064 0.000 1.157 601 R CA -0.286 55.840 56.100 0.043 0.000 1.187 601 R CB 0.630 30.954 30.300 0.040 0.000 1.179 601 R HN 0.394 nan 8.270 nan 0.000 0.600 602 V N 0.425 120.402 119.914 0.106 0.000 2.760 602 V HA 0.376 4.530 4.120 0.056 0.000 0.309 602 V C -0.481 175.676 176.094 0.105 0.000 1.077 602 V CA -0.914 61.467 62.300 0.134 0.000 0.910 602 V CB 2.362 34.290 31.823 0.175 0.000 1.008 602 V HN 0.352 nan 8.190 nan 0.000 0.424 603 V N 2.808 122.779 119.914 0.095 0.000 2.495 603 V HA 0.786 4.940 4.120 0.056 0.000 0.298 603 V C 0.477 176.626 176.094 0.090 0.000 1.031 603 V CA -0.605 61.742 62.300 0.077 0.000 0.871 603 V CB 1.892 33.745 31.823 0.051 0.000 0.988 603 V HN 1.060 nan 8.190 nan 0.000 0.432 604 A N 5.972 128.852 122.820 0.101 0.000 2.366 604 A HA 0.752 5.106 4.320 0.056 0.000 0.272 604 A C -0.397 177.196 177.584 0.015 0.000 1.135 604 A CA -0.194 51.888 52.037 0.075 0.000 0.804 604 A CB 0.013 19.086 19.000 0.121 0.000 1.064 604 A HN 0.771 nan 8.150 nan 0.000 0.499 605 I N 3.428 124.003 120.570 0.008 0.000 2.355 605 I HA 0.211 4.415 4.170 0.056 0.000 0.288 605 I C -0.575 175.542 176.117 -0.000 0.000 0.999 605 I CA -0.236 61.068 61.300 0.006 0.000 1.163 605 I CB 1.408 39.427 38.000 0.032 0.000 1.316 605 I HN 0.483 nan 8.210 nan 0.000 0.454 606 L N 7.182 128.382 121.223 -0.039 0.000 2.283 606 L HA 0.406 4.780 4.340 0.056 0.000 0.287 606 L C 0.040 176.994 176.870 0.140 0.000 1.073 606 L CA -0.316 54.539 54.840 0.026 0.000 0.822 606 L CB 0.282 42.194 42.059 -0.247 0.000 1.186 606 L HN 0.447 nan 8.230 nan 0.000 0.436 607 L N 3.624 124.996 121.223 0.248 0.000 2.456 607 L HA 0.328 4.702 4.340 0.056 0.000 0.257 607 L C 0.124 177.157 176.870 0.271 0.000 1.162 607 L CA -0.397 54.536 54.840 0.154 0.000 0.808 607 L CB 1.133 43.190 42.059 -0.005 0.000 1.136 607 L HN 0.715 nan 8.230 nan 0.000 0.466 608 N N -2.083 116.674 118.700 0.095 0.000 2.761 608 N HA 0.227 5.001 4.740 0.056 0.000 0.283 608 N C -0.412 175.035 175.510 -0.105 0.000 1.377 608 N CA -0.747 52.394 53.050 0.151 0.000 0.791 608 N CB 0.683 39.273 38.487 0.172 0.000 1.540 608 N HN 0.519 nan 8.380 nan 0.000 0.539 609 D N -1.877 118.512 120.400 -0.018 0.000 2.349 609 D HA -0.022 4.652 4.640 0.056 0.000 0.224 609 D C -0.384 175.875 176.300 -0.068 0.000 1.029 609 D CA 0.597 54.535 54.000 -0.104 0.000 0.879 609 D CB -0.061 40.754 40.800 0.024 0.000 0.906 609 D HN 0.759 nan 8.370 nan 0.000 0.528 610 E N 0.535 120.712 120.200 -0.039 0.000 3.544 610 E HA 0.212 4.596 4.350 0.056 0.000 0.264 610 E C -1.231 175.353 176.600 -0.027 0.000 1.225 610 E CA -0.388 55.992 56.400 -0.033 0.000 1.045 610 E CB 0.813 30.504 29.700 -0.016 0.000 1.338 610 E HN -0.136 nan 8.360 nan 0.000 0.395 611 V N 2.230 122.120 119.914 -0.041 0.000 2.673 611 V HA 0.032 4.186 4.120 0.056 0.000 0.303 611 V C 1.015 177.093 176.094 -0.028 0.000 1.046 611 V CA 0.274 62.557 62.300 -0.028 0.000 1.126 611 V CB 0.766 32.567 31.823 -0.037 0.000 0.934 611 V HN 0.519 nan 8.190 nan 0.000 0.487 612 R N 3.385 123.870 120.500 -0.025 0.000 2.413 612 R HA 0.007 4.381 4.340 0.056 0.000 0.333 612 R C 1.649 177.928 176.300 -0.035 0.000 1.074 612 R CA 0.502 56.583 56.100 -0.031 0.000 0.982 612 R CB 0.269 30.546 30.300 -0.037 0.000 0.981 612 R HN 1.040 nan 8.270 nan 0.000 0.452 613 S N 2.798 118.479 115.700 -0.031 0.000 2.420 613 S HA -0.256 4.248 4.470 0.056 0.000 0.237 613 S C 1.902 176.483 174.600 -0.031 0.000 1.023 613 S CA 1.127 59.309 58.200 -0.029 0.000 0.991 613 S CB -0.064 63.121 63.200 -0.026 0.000 0.792 613 S HN 0.668 nan 8.310 nan 0.000 0.488 614 A N 2.286 125.084 122.820 -0.036 0.000 1.898 614 A HA -0.071 4.283 4.320 0.056 0.000 0.216 614 A C 1.991 179.542 177.584 -0.055 0.000 1.181 614 A CA 1.473 53.486 52.037 -0.041 0.000 0.620 614 A CB -0.868 18.106 19.000 -0.043 0.000 0.819 614 A HN 0.438 nan 8.150 nan 0.000 0.442 615 D N -0.010 120.347 120.400 -0.071 0.000 2.106 615 D HA -0.166 4.508 4.640 0.056 0.000 0.191 615 D C 1.890 178.154 176.300 -0.060 0.000 0.997 615 D CA 1.066 55.007 54.000 -0.100 0.000 0.834 615 D CB -0.398 40.334 40.800 -0.113 0.000 0.956 615 D HN 0.332 nan 8.370 nan 0.000 0.448 616 L N 0.378 121.579 121.223 -0.037 0.000 2.083 616 L HA -0.130 4.244 4.340 0.056 0.000 0.209 616 L C 2.417 179.281 176.870 -0.009 0.000 1.083 616 L CA 0.747 55.578 54.840 -0.016 0.000 0.752 616 L CB -0.233 41.817 42.059 -0.015 0.000 0.899 616 L HN 0.113 nan 8.230 nan 0.000 0.433 617 L N -0.588 120.626 121.223 -0.016 0.000 2.046 617 L HA -0.209 4.165 4.340 0.056 0.000 0.208 617 L C 2.766 179.634 176.870 -0.003 0.000 1.077 617 L CA 1.335 56.170 54.840 -0.009 0.000 0.747 617 L CB -0.563 41.489 42.059 -0.012 0.000 0.896 617 L HN 0.279 nan 8.230 nan 0.000 0.432 618 A N -0.082 122.732 122.820 -0.010 0.000 1.929 618 A HA -0.123 4.231 4.320 0.056 0.000 0.216 618 A C 2.159 179.755 177.584 0.021 0.000 1.176 618 A CA 1.125 53.161 52.037 -0.001 0.000 0.628 618 A CB -0.517 18.471 19.000 -0.019 0.000 0.816 618 A HN 0.329 nan 8.150 nan 0.000 0.444 619 I N -0.226 120.358 120.570 0.023 0.000 2.142 619 I HA -0.270 3.934 4.170 0.056 0.000 0.240 619 I C 2.321 178.466 176.117 0.047 0.000 1.078 619 I CA 1.319 62.655 61.300 0.059 0.000 1.343 619 I CB -0.325 37.715 38.000 0.067 0.000 1.046 619 I HN 0.270 nan 8.210 nan 0.000 0.405 620 L N 0.297 121.539 121.223 0.032 0.000 2.156 620 L HA -0.172 4.202 4.340 0.056 0.000 0.208 620 L C 2.554 179.438 176.870 0.024 0.000 1.095 620 L CA 1.073 55.931 54.840 0.030 0.000 0.770 620 L CB -0.525 41.549 42.059 0.025 0.000 0.914 620 L HN 0.214 nan 8.230 nan 0.000 0.439 621 K N 0.676 121.088 120.400 0.020 0.000 2.057 621 K HA -0.162 4.192 4.320 0.056 0.000 0.207 621 K C 2.149 178.759 176.600 0.016 0.000 1.049 621 K CA 1.378 57.674 56.287 0.016 0.000 0.931 621 K CB -0.062 32.445 32.500 0.012 0.000 0.714 621 K HN 0.247 nan 8.250 nan 0.000 0.440 622 A N 0.931 123.765 122.820 0.024 0.000 1.929 622 A HA -0.049 4.305 4.320 0.056 0.000 0.216 622 A C 2.063 179.655 177.584 0.014 0.000 1.176 622 A CA 1.016 53.068 52.037 0.025 0.000 0.628 622 A CB -0.497 18.529 19.000 0.043 0.000 0.816 622 A HN 0.290 nan 8.150 nan 0.000 0.444 623 L N -0.699 120.534 121.223 0.017 0.000 2.017 623 L HA -0.195 4.179 4.340 0.056 0.000 0.208 623 L C 2.616 179.475 176.870 -0.017 0.000 1.073 623 L CA 1.927 56.767 54.840 0.000 0.000 0.745 623 L CB -0.520 41.548 42.059 0.014 0.000 0.894 623 L HN 0.412 nan 8.230 nan 0.000 0.432 624 K N 0.430 120.829 120.400 -0.002 0.000 2.044 624 K HA -0.225 4.129 4.320 0.056 0.000 0.210 624 K C 2.142 178.732 176.600 -0.016 0.000 1.049 624 K CA 1.540 57.824 56.287 -0.006 0.000 0.927 624 K CB -0.169 32.337 32.500 0.010 0.000 0.713 624 K HN 0.285 nan 8.250 nan 0.000 0.443 625 A N 0.979 123.794 122.820 -0.009 0.000 2.032 625 A HA -0.161 4.193 4.320 0.056 0.000 0.221 625 A C 1.605 179.177 177.584 -0.020 0.000 1.165 625 A CA 1.572 53.602 52.037 -0.010 0.000 0.645 625 A CB -0.163 18.835 19.000 -0.002 0.000 0.807 625 A HN 0.182 nan 8.150 nan 0.000 0.453 626 K N -1.725 118.656 120.400 -0.031 0.000 2.358 626 K HA 0.220 4.573 4.320 0.056 0.000 0.200 626 K C 0.936 177.491 176.600 -0.075 0.000 1.030 626 K CA 0.627 56.889 56.287 -0.042 0.000 1.097 626 K CB 0.199 32.679 32.500 -0.033 0.000 0.862 626 K HN 0.725 nan 8.250 nan 0.000 0.534 627 G N 1.688 110.430 108.800 -0.097 0.000 2.160 627 G HA2 -0.231 3.762 3.960 0.056 0.000 0.251 627 G HA3 -0.231 3.762 3.960 0.056 0.000 0.251 627 G C 0.089 174.798 174.900 -0.318 0.000 1.008 627 G CA 0.234 45.233 45.100 -0.169 0.000 0.724 627 G HN 0.114 nan 8.290 nan 0.000 0.514 628 V N 0.659 120.432 119.914 -0.234 0.000 2.465 628 V HA 0.491 4.645 4.120 0.056 0.000 0.279 628 V C 0.772 176.723 176.094 -0.239 0.000 1.045 628 V CA -0.676 61.479 62.300 -0.242 0.000 0.938 628 V CB 1.141 32.908 31.823 -0.094 0.000 0.986 628 V HN 0.456 nan 8.190 nan 0.000 0.467 629 H N 1.762 120.843 119.070 0.019 0.000 2.495 629 H HA 0.782 5.372 4.556 0.056 0.000 0.350 629 H C 0.132 175.479 175.328 0.033 0.000 1.202 629 H CA -0.082 55.979 56.048 0.023 0.000 1.322 629 H CB 1.376 31.153 29.762 0.025 0.000 1.544 629 H HN 0.836 nan 8.280 nan 0.000 0.565 630 A N 1.238 124.166 122.820 0.180 0.000 2.449 630 A HA 0.513 4.867 4.320 0.056 0.000 0.302 630 A C -1.167 176.474 177.584 0.095 0.000 1.048 630 A CA -1.024 51.079 52.037 0.110 0.000 0.708 630 A CB 1.188 20.236 19.000 0.079 0.000 1.274 630 A HN 0.779 nan 8.150 nan 0.000 0.410 631 K N 2.382 122.832 120.400 0.085 0.000 2.376 631 K HA 0.723 5.077 4.320 0.056 0.000 0.257 631 K C -1.553 175.081 176.600 0.056 0.000 0.939 631 K CA -0.535 55.794 56.287 0.070 0.000 0.809 631 K CB 1.490 34.041 32.500 0.085 0.000 1.121 631 K HN 0.516 nan 8.250 nan 0.000 0.425 632 L N 3.886 125.134 121.223 0.042 0.000 2.276 632 L HA 0.386 4.760 4.340 0.056 0.000 0.286 632 L C -0.731 176.162 176.870 0.039 0.000 1.061 632 L CA -1.196 53.665 54.840 0.034 0.000 0.807 632 L CB 0.675 42.743 42.059 0.016 0.000 1.177 632 L HN 0.480 nan 8.230 nan 0.000 0.429 633 L N 3.947 125.208 121.223 0.064 0.000 2.354 633 L HA 0.616 4.990 4.340 0.056 0.000 0.269 633 L C -0.605 176.297 176.870 0.053 0.000 1.005 633 L CA -0.379 54.496 54.840 0.057 0.000 0.819 633 L CB 1.679 43.803 42.059 0.109 0.000 1.311 633 L HN 0.372 nan 8.230 nan 0.000 0.423 634 Y N -0.419 119.563 120.300 -0.530 0.000 2.896 634 Y HA 0.322 4.906 4.550 0.056 0.000 0.317 634 Y C 0.841 175.970 175.900 -1.285 0.000 1.444 634 Y CA -0.503 57.136 58.100 -0.768 0.000 1.084 634 Y CB 1.549 39.837 38.460 -0.288 0.000 1.382 634 Y HN 0.546 nan 8.280 nan 0.000 0.471 635 S N 0.736 115.489 115.700 -1.579 0.000 2.575 635 S HA 0.301 4.804 4.470 0.056 0.000 0.215 635 S C -0.072 174.193 174.600 -0.558 0.000 0.966 635 S CA 0.315 57.899 58.200 -1.026 0.000 0.911 635 S CB -0.230 62.514 63.200 -0.759 0.000 0.780 635 S HN 0.636 nan 8.310 nan 0.000 0.514 636 R N -1.295 118.956 120.500 -0.416 0.000 2.733 636 R HA 0.583 4.957 4.340 0.056 0.000 0.272 636 R C -0.909 175.370 176.300 -0.035 0.000 1.029 636 R CA -1.074 54.936 56.100 -0.151 0.000 0.888 636 R CB 0.427 30.680 30.300 -0.079 0.000 1.251 636 R HN -0.039 nan 8.270 nan 0.000 0.464 637 M N 0.311 119.900 119.600 -0.018 0.000 2.219 637 M HA 0.538 5.052 4.480 0.056 0.000 0.280 637 M C 1.030 177.346 176.300 0.025 0.000 1.189 637 M CA 0.973 56.275 55.300 0.003 0.000 1.010 637 M CB 0.539 33.134 32.600 -0.008 0.000 1.422 637 M HN 1.058 nan 8.290 nan 0.000 0.504 638 G N 0.761 109.569 108.800 0.013 0.000 2.601 638 G HA2 -0.119 3.875 3.960 0.056 0.000 0.224 638 G HA3 -0.119 3.875 3.960 0.056 0.000 0.224 638 G C -0.764 174.134 174.900 -0.004 0.000 1.171 638 G CA 0.081 45.186 45.100 0.008 0.000 1.009 638 G HN 0.976 nan 8.290 nan 0.000 0.589 639 E N -1.050 119.141 120.200 -0.016 0.000 2.429 639 E HA 0.700 5.084 4.350 0.056 0.000 0.276 639 E C -0.410 176.133 176.600 -0.095 0.000 0.953 639 E CA -0.522 55.849 56.400 -0.049 0.000 0.787 639 E CB 2.474 32.151 29.700 -0.039 0.000 1.307 639 E HN 1.666 nan 8.360 nan 0.000 0.458 640 V N -1.846 117.976 119.914 -0.154 0.000 3.126 640 V HA 0.727 4.881 4.120 0.056 0.000 0.314 640 V C -0.459 175.556 176.094 -0.131 0.000 1.138 640 V CA -0.741 61.439 62.300 -0.200 0.000 1.034 640 V CB 1.690 33.267 31.823 -0.409 0.000 1.075 640 V HN 0.755 nan 8.190 nan 0.000 0.442 641 T N 2.080 116.567 114.554 -0.111 0.000 2.792 641 T HA 0.773 5.157 4.350 0.056 0.000 0.280 641 T C 0.260 174.918 174.700 -0.069 0.000 0.990 641 T CA 0.260 62.316 62.100 -0.073 0.000 0.960 641 T CB 1.278 70.115 68.868 -0.050 0.000 0.939 641 T HN 1.342 nan 8.240 nan 0.000 0.439 642 A N 2.401 125.186 122.820 -0.058 0.000 2.366 642 A HA 0.302 4.656 4.320 0.056 0.000 0.250 642 A C 1.547 179.110 177.584 -0.036 0.000 1.099 642 A CA -0.257 51.752 52.037 -0.047 0.000 0.794 642 A CB 0.047 19.023 19.000 -0.040 0.000 1.056 642 A HN 0.917 nan 8.150 nan 0.000 0.499 643 D N 0.048 120.429 120.400 -0.031 0.000 2.182 643 D HA -0.195 4.479 4.640 0.056 0.000 0.201 643 D C 0.664 176.951 176.300 -0.022 0.000 0.986 643 D CA 1.631 55.616 54.000 -0.024 0.000 0.847 643 D CB -0.354 40.433 40.800 -0.022 0.000 0.942 643 D HN 0.624 nan 8.370 nan 0.000 0.467 644 D N -1.452 118.935 120.400 -0.023 0.000 2.340 644 D HA 0.194 4.868 4.640 0.056 0.000 0.217 644 D C 1.643 177.932 176.300 -0.019 0.000 1.081 644 D CA 0.431 54.420 54.000 -0.019 0.000 0.842 644 D CB -0.055 40.733 40.800 -0.019 0.000 0.934 644 D HN 0.379 nan 8.370 nan 0.000 0.511 645 G N -0.086 108.701 108.800 -0.022 0.000 2.176 645 G HA2 -0.271 3.723 3.960 0.056 0.000 0.253 645 G HA3 -0.271 3.723 3.960 0.056 0.000 0.253 645 G C 0.404 175.290 174.900 -0.023 0.000 0.979 645 G CA 0.232 45.319 45.100 -0.022 0.000 0.641 645 G HN 0.440 nan 8.290 nan 0.000 0.530 646 T N 1.214 115.754 114.554 -0.025 0.000 2.871 646 T HA 0.385 4.769 4.350 0.056 0.000 0.296 646 T C 0.663 175.344 174.700 -0.032 0.000 0.998 646 T CA 0.126 62.211 62.100 -0.025 0.000 1.162 646 T CB 2.174 71.028 68.868 -0.024 0.000 0.947 646 T HN 0.450 nan 8.240 nan 0.000 0.536 647 V N 5.659 125.555 119.914 -0.029 0.000 2.461 647 V HA 0.293 4.447 4.120 0.056 0.000 0.275 647 V C 0.153 176.225 176.094 -0.036 0.000 1.047 647 V CA -0.476 61.803 62.300 -0.035 0.000 0.955 647 V CB 0.554 32.361 31.823 -0.026 0.000 0.988 647 V HN 0.654 nan 8.190 nan 0.000 0.471 648 L N 8.419 129.611 121.223 -0.052 0.000 2.319 648 L HA 0.506 4.880 4.340 0.056 0.000 0.281 648 L C -2.438 174.401 176.870 -0.052 0.000 1.005 648 L CA -1.775 53.034 54.840 -0.051 0.000 0.828 648 L CB 1.807 43.826 42.059 -0.066 0.000 1.227 648 L HN 0.416 nan 8.230 nan 0.000 0.415 649 P HA 0.307 nan 4.420 nan 0.000 0.279 649 P C -0.552 176.736 177.300 -0.021 0.000 1.239 649 P CA -0.177 62.908 63.100 -0.024 0.000 0.789 649 P CB 1.205 32.898 31.700 -0.012 0.000 0.933 650 I N 1.848 122.409 120.570 -0.016 0.000 2.353 650 I HA 0.269 4.473 4.170 0.056 0.000 0.293 650 I C 1.463 177.581 176.117 0.003 0.000 0.992 650 I CA -0.331 60.966 61.300 -0.005 0.000 1.268 650 I CB 1.481 39.487 38.000 0.010 0.000 1.387 650 I HN 0.365 nan 8.210 nan 0.000 0.478 651 A N 5.068 127.893 122.820 0.010 0.000 1.943 651 A HA 0.658 5.012 4.320 0.056 0.000 0.213 651 A C 0.904 178.497 177.584 0.015 0.000 1.181 651 A CA 1.029 53.075 52.037 0.016 0.000 0.653 651 A CB 0.087 19.104 19.000 0.027 0.000 0.833 651 A HN 0.793 nan 8.150 nan 0.000 0.451 652 A N -1.754 121.071 122.820 0.010 0.000 2.586 652 A HA 0.573 4.927 4.320 0.056 0.000 0.290 652 A C -0.048 177.509 177.584 -0.045 0.000 1.086 652 A CA 0.077 52.117 52.037 0.004 0.000 0.665 652 A CB -0.236 18.790 19.000 0.043 0.000 1.279 652 A HN 0.718 nan 8.150 nan 0.000 0.423 653 T N -1.342 113.171 114.554 -0.068 0.000 2.849 653 T HA 0.517 4.900 4.350 0.056 0.000 0.284 653 T C 1.030 175.704 174.700 -0.044 0.000 1.004 653 T CA 0.091 62.081 62.100 -0.183 0.000 1.021 653 T CB -0.007 68.775 68.868 -0.143 0.000 1.013 653 T HN 0.482 nan 8.240 nan 0.000 0.527 654 F N 0.632 120.597 119.950 0.025 0.000 2.115 654 F HA -0.118 4.443 4.527 0.056 0.000 0.300 654 F C 2.921 178.854 175.800 0.221 0.000 1.092 654 F CA 1.017 59.084 58.000 0.112 0.000 1.245 654 F CB -0.614 38.430 39.000 0.074 0.000 0.995 654 F HN 0.706 nan 8.300 nan 0.000 0.481 655 A N 0.105 123.094 122.820 0.282 0.000 2.016 655 A HA 0.097 4.450 4.320 0.056 0.000 0.217 655 A C 2.376 180.033 177.584 0.122 0.000 1.162 655 A CA 1.281 53.424 52.037 0.178 0.000 0.662 655 A CB -1.222 17.838 19.000 0.101 0.000 0.812 655 A HN 0.386 nan 8.150 nan 0.000 0.450 656 G N -0.956 107.905 108.800 0.102 0.000 2.464 656 G HA2 0.320 4.314 3.960 0.056 0.000 0.217 656 G HA3 0.320 4.314 3.960 0.056 0.000 0.217 656 G C 0.651 175.607 174.900 0.094 0.000 1.138 656 G CA 0.878 46.019 45.100 0.069 0.000 0.793 656 G HN 0.975 nan 8.290 nan 0.000 0.539 657 A N 0.937 123.850 122.820 0.155 0.000 3.159 657 A HA 0.707 5.061 4.320 0.056 0.000 0.330 657 A C -2.675 175.074 177.584 0.275 0.000 1.032 657 A CA -1.163 50.983 52.037 0.181 0.000 0.841 657 A CB 1.154 20.258 19.000 0.173 0.000 1.093 657 A HN 0.097 nan 8.150 nan 0.000 0.478 658 P HA 0.057 nan 4.420 nan 0.000 0.271 658 P C 1.330 178.484 177.300 -0.243 0.000 1.233 658 P CA 0.248 63.316 63.100 -0.054 0.000 0.789 658 P CB 0.754 32.402 31.700 -0.087 0.000 0.951 659 S N 0.625 115.830 115.700 -0.825 0.000 2.442 659 S HA -0.131 4.373 4.470 0.056 0.000 0.236 659 S C 1.780 176.237 174.600 -0.238 0.000 1.007 659 S CA 0.905 58.750 58.200 -0.591 0.000 0.965 659 S CB -1.345 61.369 63.200 -0.809 0.000 0.773 659 S HN 0.334 nan 8.310 nan 0.000 0.504 660 L N 1.865 122.952 121.223 -0.227 0.000 2.137 660 L HA -0.116 4.258 4.340 0.056 0.000 0.213 660 L C 2.809 179.523 176.870 -0.260 0.000 1.085 660 L CA 1.690 56.402 54.840 -0.214 0.000 0.760 660 L CB -1.501 40.408 42.059 -0.249 0.000 0.893 660 L HN 0.634 nan 8.230 nan 0.000 0.434 661 T N -3.296 111.175 114.554 -0.137 0.000 3.107 661 T HA 0.286 4.670 4.350 0.056 0.000 0.249 661 T C 0.269 175.074 174.700 0.174 0.000 1.096 661 T CA 0.075 62.178 62.100 0.004 0.000 1.012 661 T CB -0.345 68.618 68.868 0.158 0.000 0.977 661 T HN 0.164 nan 8.240 nan 0.000 0.527 662 V N -3.063 116.911 119.914 0.100 0.000 3.141 662 V HA 0.581 4.735 4.120 0.056 0.000 0.312 662 V C -0.326 175.815 176.094 0.078 0.000 1.157 662 V CA -0.983 61.396 62.300 0.133 0.000 1.041 662 V CB 2.191 34.106 31.823 0.154 0.000 1.071 662 V HN -0.012 nan 8.190 nan 0.000 0.441 663 D N 0.863 121.309 120.400 0.077 0.000 2.355 663 D HA 0.503 5.177 4.640 0.056 0.000 0.206 663 D C 0.558 176.843 176.300 -0.025 0.000 1.010 663 D CA 1.484 55.503 54.000 0.032 0.000 0.875 663 D CB 1.578 42.420 40.800 0.070 0.000 0.966 663 D HN 0.990 nan 8.370 nan 0.000 0.512 664 A N 0.137 122.958 122.820 0.002 0.000 2.586 664 A HA 0.547 4.901 4.320 0.056 0.000 0.290 664 A C -1.588 176.011 177.584 0.024 0.000 1.086 664 A CA -0.534 51.490 52.037 -0.021 0.000 0.665 664 A CB 1.570 20.542 19.000 -0.047 0.000 1.279 664 A HN -0.108 nan 8.150 nan 0.000 0.423 665 V N 1.037 120.957 119.914 0.010 0.000 2.588 665 V HA 0.551 4.705 4.120 0.056 0.000 0.304 665 V C -0.726 175.365 176.094 -0.004 0.000 1.042 665 V CA -0.178 62.138 62.300 0.026 0.000 0.877 665 V CB 1.462 33.319 31.823 0.057 0.000 0.996 665 V HN 0.684 nan 8.190 nan 0.000 0.425 666 I N 4.305 124.881 120.570 0.010 0.000 2.433 666 I HA 0.536 4.739 4.170 0.056 0.000 0.292 666 I C -0.719 175.414 176.117 0.026 0.000 1.001 666 I CA -0.956 60.376 61.300 0.053 0.000 1.119 666 I CB 2.253 40.318 38.000 0.108 0.000 1.289 666 I HN 0.281 nan 8.210 nan 0.000 0.438 667 V N 7.700 127.645 119.914 0.050 0.000 2.334 667 V HA 0.352 4.505 4.120 0.056 0.000 0.281 667 V C -2.008 174.141 176.094 0.091 0.000 1.016 667 V CA -1.486 60.833 62.300 0.032 0.000 0.832 667 V CB 1.005 32.817 31.823 -0.019 0.000 0.999 667 V HN 0.572 nan 8.190 nan 0.000 0.439 671 N N 1.864 120.578 118.700 0.023 0.000 2.971 671 N HA 0.125 4.899 4.740 0.056 0.000 0.294 671 N C 1.680 177.224 175.510 0.057 0.000 1.210 671 N CA -0.318 52.750 53.050 0.031 0.000 1.157 671 N CB -0.355 38.152 38.487 0.033 0.000 1.450 671 N HN 0.340 nan 8.380 nan 0.000 0.527 672 I N 0.674 121.269 120.570 0.042 0.000 2.335 672 I HA -0.260 3.944 4.170 0.056 0.000 0.251 672 I C 2.046 178.168 176.117 0.009 0.000 1.129 672 I CA 0.791 62.118 61.300 0.045 0.000 1.402 672 I CB -1.416 36.575 38.000 -0.014 0.000 1.069 672 I HN 0.448 nan 8.210 nan 0.000 0.424 673 A N 0.778 123.593 122.820 -0.008 0.000 1.986 673 A HA -0.305 4.049 4.320 0.056 0.000 0.220 673 A C 2.083 179.688 177.584 0.036 0.000 1.171 673 A CA 2.251 54.282 52.037 -0.010 0.000 0.640 673 A CB -0.786 18.209 19.000 -0.008 0.000 0.811 673 A HN 0.444 nan 8.150 nan 0.000 0.451 674 D N 0.105 120.552 120.400 0.079 0.000 2.182 674 D HA -0.144 4.530 4.640 0.056 0.000 0.201 674 D C 1.515 177.910 176.300 0.158 0.000 0.986 674 D CA 1.718 55.793 54.000 0.125 0.000 0.847 674 D CB -0.205 40.699 40.800 0.173 0.000 0.942 674 D HN 0.670 nan 8.370 nan 0.000 0.467 675 I N -4.228 116.455 120.570 0.189 0.000 4.227 675 I HA 0.483 4.687 4.170 0.056 0.000 0.334 675 I C 1.863 178.132 176.117 0.253 0.000 1.341 675 I CA -0.095 61.357 61.300 0.254 0.000 1.123 675 I CB 0.168 38.377 38.000 0.349 0.000 1.097 675 I HN -0.101 nan 8.210 nan 0.000 0.399 676 A N 1.389 124.263 122.820 0.091 0.000 1.978 676 A HA -0.155 4.199 4.320 0.056 0.000 0.220 676 A C 1.541 179.128 177.584 0.004 0.000 1.170 676 A CA 2.027 53.998 52.037 -0.109 0.000 0.636 676 A CB -0.457 18.408 19.000 -0.225 0.000 0.810 676 A HN 0.485 nan 8.150 nan 0.000 0.448 677 D N -0.774 119.653 120.400 0.045 0.000 2.402 677 D HA 0.045 4.719 4.640 0.056 0.000 0.216 677 D C -0.085 176.257 176.300 0.071 0.000 1.128 677 D CA -0.142 53.884 54.000 0.044 0.000 0.833 677 D CB -0.139 40.673 40.800 0.020 0.000 0.971 677 D HN 0.305 nan 8.370 nan 0.000 0.503 678 N N 0.941 119.706 118.700 0.109 0.000 2.401 678 N HA 0.048 4.822 4.740 0.056 0.000 0.255 678 N C 1.409 176.980 175.510 0.101 0.000 1.110 678 N CA -0.004 53.113 53.050 0.112 0.000 0.949 678 N CB 1.328 39.913 38.487 0.162 0.000 1.110 678 N HN 0.014 nan 8.380 nan 0.000 0.490 679 G N 3.454 112.304 108.800 0.083 0.000 2.505 679 G HA2 -0.300 3.693 3.960 0.056 0.000 0.220 679 G HA3 -0.300 3.693 3.960 0.056 0.000 0.220 679 G C 0.993 175.955 174.900 0.104 0.000 1.145 679 G CA 0.699 45.846 45.100 0.080 0.000 0.761 679 G HN 0.576 nan 8.290 nan 0.000 0.571 680 D N 0.718 121.192 120.400 0.123 0.000 2.117 680 D HA 0.002 4.676 4.640 0.056 0.000 0.197 680 D C 2.804 179.130 176.300 0.044 0.000 0.987 680 D CA 1.286 55.392 54.000 0.176 0.000 0.829 680 D CB -0.445 40.529 40.800 0.289 0.000 0.961 680 D HN 0.325 nan 8.370 nan 0.000 0.460 681 A N 0.807 123.510 122.820 -0.195 0.000 1.897 681 A HA -0.149 4.205 4.320 0.056 0.000 0.215 681 A C 1.983 179.365 177.584 -0.338 0.000 1.181 681 A CA 1.079 52.727 52.037 -0.649 0.000 0.620 681 A CB -0.428 18.102 19.000 -0.785 0.000 0.821 681 A HN 0.156 nan 8.150 nan 0.000 0.443 682 N N -1.334 117.317 118.700 -0.082 0.000 2.104 682 N HA -0.207 4.567 4.740 0.056 0.000 0.190 682 N C 1.706 177.202 175.510 -0.023 0.000 1.024 682 N CA 1.872 54.917 53.050 -0.008 0.000 0.853 682 N CB -0.456 38.101 38.487 0.118 0.000 1.008 682 N HN 0.696 nan 8.380 nan 0.000 0.424 683 Y N 0.676 120.939 120.300 -0.061 0.000 2.242 683 Y HA -0.263 4.320 4.550 0.056 0.000 0.291 683 Y C 2.394 178.236 175.900 -0.097 0.000 1.137 683 Y CA 1.161 59.221 58.100 -0.068 0.000 1.181 683 Y CB -0.386 38.044 38.460 -0.051 0.000 0.989 683 Y HN 0.002 nan 8.280 nan 0.000 0.527 684 Y N 0.518 120.690 120.300 -0.213 0.000 2.062 684 Y HA -0.394 4.190 4.550 0.057 0.000 0.276 684 Y C 2.163 177.848 175.900 -0.358 0.000 1.189 684 Y CA 2.408 60.335 58.100 -0.288 0.000 1.130 684 Y CB -0.626 37.641 38.460 -0.322 0.000 0.959 684 Y HN 0.127 nan 8.280 nan 0.000 0.499 685 L N -1.116 120.021 121.223 -0.143 0.000 2.017 685 L HA -0.296 4.077 4.340 0.056 0.000 0.208 685 L C 2.509 179.242 176.870 -0.229 0.000 1.073 685 L CA 1.693 56.424 54.840 -0.181 0.000 0.745 685 L CB -0.645 41.272 42.059 -0.236 0.000 0.894 685 L HN 0.289 nan 8.230 nan 0.000 0.432 686 M N -0.474 118.944 119.600 -0.303 0.000 2.106 686 M HA -0.275 4.239 4.480 0.056 0.000 0.259 686 M C 2.293 178.323 176.300 -0.450 0.000 1.068 686 M CA 1.874 56.983 55.300 -0.319 0.000 1.100 686 M CB -0.497 31.913 32.600 -0.317 0.000 1.351 686 M HN 0.256 nan 8.290 nan 0.000 0.404 687 E N 0.436 120.160 120.200 -0.792 0.000 2.031 687 E HA -0.204 4.180 4.350 0.056 0.000 0.193 687 E C 2.019 178.218 176.600 -0.668 0.000 0.994 687 E CA 1.406 57.290 56.400 -0.861 0.000 0.800 687 E CB -0.028 29.099 29.700 -0.954 0.000 0.752 687 E HN 0.488 nan 8.360 nan 0.000 0.447 688 A N 0.194 122.750 122.820 -0.439 0.000 1.933 688 A HA -0.211 4.143 4.320 0.056 0.000 0.218 688 A C 2.037 179.511 177.584 -0.183 0.000 1.175 688 A CA 1.534 53.415 52.037 -0.259 0.000 0.628 688 A CB -0.872 18.038 19.000 -0.151 0.000 0.814 688 A HN 0.564 nan 8.150 nan 0.000 0.444 689 Y N 0.488 120.621 120.300 -0.278 0.000 2.133 689 Y HA -0.179 4.405 4.550 0.057 0.000 0.287 689 Y C 2.394 178.175 175.900 -0.198 0.000 1.134 689 Y CA 2.278 60.252 58.100 -0.209 0.000 1.133 689 Y CB -0.327 38.024 38.460 -0.182 0.000 0.987 689 Y HN 0.308 nan 8.280 nan 0.000 0.502 690 K N -0.587 119.712 120.400 -0.169 0.000 2.113 690 K HA -0.249 4.105 4.320 0.056 0.000 0.208 690 K C 1.220 177.747 176.600 -0.122 0.000 1.047 690 K CA 2.165 58.338 56.287 -0.190 0.000 0.928 690 K CB -0.491 31.858 32.500 -0.253 0.000 0.716 690 K HN 0.605 nan 8.250 nan 0.000 0.446 691 H N 0.188 119.138 119.070 -0.199 0.000 2.536 691 H HA 0.161 4.751 4.556 0.057 0.000 0.276 691 H C 0.021 175.189 175.328 -0.267 0.000 1.019 691 H CA 0.237 56.165 56.048 -0.201 0.000 1.159 691 H CB 0.105 29.743 29.762 -0.205 0.000 1.373 691 H HN 0.139 nan 8.280 nan 0.000 0.584 692 L N -0.242 120.841 121.223 -0.234 0.000 4.351 692 L HA -0.262 4.112 4.340 0.056 0.000 0.410 692 L C -0.280 176.335 176.870 -0.425 0.000 1.150 692 L CA 0.517 55.127 54.840 -0.383 0.000 0.961 692 L CB -1.818 40.001 42.059 -0.400 0.000 2.130 692 L HN 0.262 nan 8.230 nan 0.000 0.787 693 K N 0.941 121.156 120.400 -0.308 0.000 2.218 693 K HA 0.427 4.781 4.320 0.056 0.000 0.276 693 K C -2.094 174.372 176.600 -0.224 0.000 1.022 693 K CA -1.675 54.450 56.287 -0.270 0.000 0.946 693 K CB 0.603 32.996 32.500 -0.178 0.000 1.000 693 K HN -0.196 nan 8.250 nan 0.000 0.468 694 P HA 0.051 nan 4.420 nan 0.000 0.268 694 P C -0.789 176.444 177.300 -0.112 0.000 1.205 694 P CA 0.332 63.332 63.100 -0.166 0.000 0.771 694 P CB 0.488 32.089 31.700 -0.166 0.000 0.858 695 I N 1.666 122.181 120.570 -0.092 0.000 2.533 695 I HA 0.615 4.818 4.170 0.056 0.000 0.290 695 I C -0.414 175.647 176.117 -0.093 0.000 1.056 695 I CA -0.732 60.531 61.300 -0.062 0.000 1.057 695 I CB 2.158 40.150 38.000 -0.014 0.000 1.240 695 I HN 0.266 nan 8.210 nan 0.000 0.423 696 A N 7.495 130.264 122.820 -0.084 0.000 2.356 696 A HA 0.917 5.271 4.320 0.056 0.000 0.310 696 A C -1.189 176.470 177.584 0.124 0.000 1.075 696 A CA -0.450 51.514 52.037 -0.121 0.000 0.746 696 A CB 1.126 19.884 19.000 -0.404 0.000 1.221 696 A HN 0.660 nan 8.150 nan 0.000 0.443 697 L N 2.064 123.427 121.223 0.232 0.000 2.372 697 L HA 0.705 5.079 4.340 0.056 0.000 0.274 697 L C 0.181 177.261 176.870 0.350 0.000 0.988 697 L CA -0.515 54.480 54.840 0.258 0.000 0.833 697 L CB 1.943 44.101 42.059 0.166 0.000 1.236 697 L HN 0.791 nan 8.230 nan 0.000 0.410 698 A N 2.245 125.187 122.820 0.204 0.000 2.317 698 A HA 0.858 5.212 4.320 0.056 0.000 0.327 698 A C 0.709 178.289 177.584 -0.006 0.000 1.178 698 A CA 0.285 52.313 52.037 -0.015 0.000 0.817 698 A CB 1.195 19.997 19.000 -0.331 0.000 1.189 698 A HN 0.979 nan 8.150 nan 0.000 0.489 699 G N 2.041 110.827 108.800 -0.023 0.000 2.651 699 G HA2 -0.370 3.624 3.960 0.056 0.000 0.315 699 G HA3 -0.370 3.624 3.960 0.056 0.000 0.315 699 G C 0.552 175.456 174.900 0.006 0.000 1.258 699 G CA 1.061 46.151 45.100 -0.017 0.000 1.002 699 G HN 0.715 nan 8.290 nan 0.000 0.551 700 D N 1.321 121.720 120.400 -0.002 0.000 2.310 700 D HA 0.242 4.915 4.640 0.056 0.000 0.212 700 D C 2.608 178.909 176.300 0.001 0.000 0.965 700 D CA 1.612 55.605 54.000 -0.011 0.000 0.879 700 D CB -0.650 40.135 40.800 -0.024 0.000 0.921 700 D HN 0.783 nan 8.370 nan 0.000 0.510 701 A N 0.596 123.457 122.820 0.068 0.000 2.076 701 A HA -0.202 4.152 4.320 0.056 0.000 0.220 701 A C 2.018 179.713 177.584 0.185 0.000 1.160 701 A CA 0.941 53.091 52.037 0.189 0.000 0.653 701 A CB -0.425 18.704 19.000 0.213 0.000 0.801 701 A HN 0.159 nan 8.150 nan 0.000 0.455 702 R N -0.735 119.821 120.500 0.093 0.000 2.241 702 R HA -0.097 4.277 4.340 0.056 0.000 0.224 702 R C 1.318 177.628 176.300 0.016 0.000 1.101 702 R CA 1.079 57.220 56.100 0.068 0.000 0.995 702 R CB -0.115 30.212 30.300 0.046 0.000 0.870 702 R HN 0.203 nan 8.270 nan 0.000 0.463 703 K N -0.116 120.247 120.400 -0.061 0.000 2.360 703 K HA -0.078 4.276 4.320 0.056 0.000 0.201 703 K C 1.131 177.613 176.600 -0.196 0.000 1.046 703 K CA 1.084 57.276 56.287 -0.159 0.000 0.945 703 K CB -0.197 32.152 32.500 -0.251 0.000 0.750 703 K HN 0.198 nan 8.250 nan 0.000 0.464 704 F N 0.697 120.623 119.950 -0.040 0.000 2.661 704 F HA -0.014 4.548 4.527 0.057 0.000 0.298 704 F C 1.603 177.353 175.800 -0.082 0.000 1.137 704 F CA 0.441 58.405 58.000 -0.060 0.000 1.454 704 F CB 0.065 39.027 39.000 -0.062 0.000 1.103 704 F HN -0.049 nan 8.300 nan 0.000 0.577 705 K N 0.381 120.829 120.400 0.080 0.000 2.218 705 K HA -0.203 4.151 4.320 0.056 0.000 0.205 705 K C 2.275 178.848 176.600 -0.044 0.000 1.046 705 K CA 1.095 57.378 56.287 -0.007 0.000 0.933 705 K CB -0.337 32.156 32.500 -0.012 0.000 0.728 705 K HN 0.266 nan 8.250 nan 0.000 0.454 706 A N 0.856 123.658 122.820 -0.030 0.000 1.933 706 A HA -0.148 4.206 4.320 0.056 0.000 0.218 706 A C 2.146 179.704 177.584 -0.043 0.000 1.175 706 A CA 1.937 53.949 52.037 -0.042 0.000 0.628 706 A CB -0.831 18.141 19.000 -0.046 0.000 0.814 706 A HN 0.262 nan 8.150 nan 0.000 0.444 707 T N 0.655 115.201 114.554 -0.013 0.000 2.867 707 T HA -0.068 4.316 4.350 0.056 0.000 0.268 707 T C 1.497 176.138 174.700 -0.098 0.000 1.057 707 T CA 1.499 63.592 62.100 -0.013 0.000 1.136 707 T CB -0.456 68.451 68.868 0.066 0.000 0.874 707 T HN 0.746 nan 8.240 nan 0.000 0.466 708 I N -2.635 117.823 120.570 -0.187 0.000 3.941 708 I HA 0.388 4.592 4.170 0.056 0.000 0.335 708 I C -0.533 175.350 176.117 -0.390 0.000 1.402 708 I CA -0.529 60.526 61.300 -0.408 0.000 1.112 708 I CB 0.097 37.662 38.000 -0.726 0.000 1.043 708 I HN -0.165 nan 8.210 nan 0.000 0.395 709 K N 2.080 122.361 120.400 -0.197 0.000 3.244 709 K HA -0.103 4.251 4.320 0.056 0.000 0.270 709 K C -0.428 176.104 176.600 -0.114 0.000 1.016 709 K CA 0.517 56.730 56.287 -0.122 0.000 0.754 709 K CB -1.844 30.607 32.500 -0.082 0.000 1.326 709 K HN 0.439 nan 8.250 nan 0.000 0.465 710 I N 0.385 120.886 120.570 -0.115 0.000 2.331 710 I HA 0.296 4.500 4.170 0.056 0.000 0.292 710 I C 1.403 177.500 176.117 -0.034 0.000 0.998 710 I CA -1.110 60.149 61.300 -0.069 0.000 1.267 710 I CB 0.937 38.895 38.000 -0.070 0.000 1.386 710 I HN 0.273 nan 8.210 nan 0.000 0.476 711 A N 5.019 127.830 122.820 -0.015 0.000 2.448 711 A HA 0.068 4.422 4.320 0.056 0.000 0.239 711 A C 1.094 178.674 177.584 -0.007 0.000 1.080 711 A CA -0.131 51.901 52.037 -0.008 0.000 0.779 711 A CB 0.102 19.102 19.000 -0.000 0.000 1.026 711 A HN 0.760 nan 8.150 nan 0.000 0.499 712 D N 0.388 120.785 120.400 -0.006 0.000 2.158 712 D HA -0.187 4.487 4.640 0.056 0.000 0.197 712 D C 1.869 178.170 176.300 0.001 0.000 0.995 712 D CA 2.196 56.194 54.000 -0.004 0.000 0.846 712 D CB -0.206 40.591 40.800 -0.004 0.000 0.941 712 D HN 0.807 nan 8.370 nan 0.000 0.456 713 Q N 0.207 120.008 119.800 0.002 0.000 2.482 713 Q HA 0.302 4.676 4.340 0.056 0.000 0.209 713 Q C 1.062 177.065 176.000 0.006 0.000 0.961 713 Q CA 0.545 56.351 55.803 0.004 0.000 0.945 713 Q CB 0.074 28.814 28.738 0.004 0.000 1.012 713 Q HN 0.129 nan 8.270 nan 0.000 0.515 714 G N 0.678 109.481 108.800 0.005 0.000 2.795 714 G HA2 -0.257 3.737 3.960 0.056 0.000 0.664 714 G HA3 -0.257 3.737 3.960 0.056 0.000 0.664 714 G C -1.224 173.681 174.900 0.008 0.000 1.381 714 G CA -0.241 44.863 45.100 0.006 0.000 0.853 714 G HN 0.353 nan 8.290 nan 0.000 0.545 715 E N -0.469 119.737 120.200 0.010 0.000 2.366 715 E HA 0.407 4.791 4.350 0.056 0.000 0.278 715 E C -0.325 176.273 176.600 -0.003 0.000 0.923 715 E CA -0.826 55.583 56.400 0.015 0.000 0.761 715 E CB 1.054 30.781 29.700 0.046 0.000 1.231 715 E HN 0.484 nan 8.360 nan 0.000 0.443 716 E N 1.489 121.679 120.200 -0.016 0.000 2.493 716 E HA 0.131 4.515 4.350 0.056 0.000 0.255 716 E C 0.659 177.220 176.600 -0.065 0.000 0.999 716 E CA 1.375 57.750 56.400 -0.042 0.000 0.934 716 E CB 0.942 30.615 29.700 -0.044 0.000 0.940 716 E HN 0.889 nan 8.360 nan 0.000 0.473 717 G N 3.147 111.895 108.800 -0.086 0.000 2.213 717 G HA2 -0.217 3.777 3.960 0.056 0.000 0.236 717 G HA3 -0.217 3.777 3.960 0.056 0.000 0.236 717 G C 0.195 175.045 174.900 -0.083 0.000 0.991 717 G CA -0.335 44.696 45.100 -0.116 0.000 0.629 717 G HN 0.440 nan 8.290 nan 0.000 0.517 718 I N 2.285 122.830 120.570 -0.042 0.000 2.328 718 I HA 0.472 4.676 4.170 0.056 0.000 0.287 718 I C 0.526 176.599 176.117 -0.072 0.000 1.012 718 I CA -1.216 60.064 61.300 -0.035 0.000 1.195 718 I CB 1.033 39.042 38.000 0.014 0.000 1.350 718 I HN -0.097 nan 8.210 nan 0.000 0.464 719 V N 7.549 127.377 119.914 -0.143 0.000 2.432 719 V HA 0.385 4.539 4.120 0.056 0.000 0.275 719 V C 0.288 176.306 176.094 -0.127 0.000 1.043 719 V CA -0.432 61.730 62.300 -0.229 0.000 0.925 719 V CB 1.105 32.623 31.823 -0.507 0.000 0.985 719 V HN 0.876 nan 8.190 nan 0.000 0.466 720 E N 4.258 124.469 120.200 0.018 0.000 2.366 720 E HA 0.897 5.281 4.350 0.056 0.000 0.278 720 E C -1.027 175.720 176.600 0.245 0.000 0.923 720 E CA -1.047 55.461 56.400 0.181 0.000 0.761 720 E CB 2.643 32.403 29.700 0.100 0.000 1.231 720 E HN 0.833 nan 8.360 nan 0.000 0.443 721 A N 1.675 124.655 122.820 0.267 0.000 2.567 721 A HA 0.303 4.657 4.320 0.056 0.000 0.291 721 A C -0.546 177.067 177.584 0.049 0.000 1.048 721 A CA -0.606 51.532 52.037 0.168 0.000 0.661 721 A CB 1.193 20.346 19.000 0.254 0.000 1.288 721 A HN 0.609 nan 8.150 nan 0.000 0.424 722 D N 0.516 120.921 120.400 0.008 0.000 2.182 722 D HA 0.019 4.693 4.640 0.056 0.000 0.201 722 D C 1.072 177.323 176.300 -0.082 0.000 0.986 722 D CA 2.449 56.434 54.000 -0.026 0.000 0.847 722 D CB 0.111 40.900 40.800 -0.019 0.000 0.942 722 D HN 0.918 nan 8.370 nan 0.000 0.467 723 S N -2.078 113.535 115.700 -0.144 0.000 2.625 723 S HA 0.619 5.123 4.470 0.056 0.000 0.271 723 S C -0.560 173.744 174.600 -0.494 0.000 1.161 723 S CA -0.524 57.528 58.200 -0.248 0.000 0.820 723 S CB 1.749 64.855 63.200 -0.156 0.000 1.137 723 S HN -0.041 nan 8.310 nan 0.000 0.470 724 A N 1.542 123.992 122.820 -0.617 0.000 2.958 724 A HA 0.396 4.750 4.320 0.056 0.000 0.247 724 A C 0.454 177.842 177.584 -0.326 0.000 1.679 724 A CA 0.035 51.533 52.037 -0.899 0.000 1.345 724 A CB -2.108 16.511 19.000 -0.636 0.000 1.013 724 A HN 0.892 nan 8.150 nan 0.000 0.641 725 D N -0.653 119.637 120.400 -0.184 0.000 2.223 725 D HA 0.265 4.939 4.640 0.056 0.000 0.250 725 D C 1.442 177.775 176.300 0.056 0.000 1.287 725 D CA 0.290 54.269 54.000 -0.034 0.000 0.977 725 D CB 0.099 40.893 40.800 -0.009 0.000 1.177 725 D HN 0.012 nan 8.370 nan 0.000 0.536 726 G N -1.512 107.320 108.800 0.053 0.000 2.408 726 G HA2 -0.225 3.769 3.960 0.056 0.000 0.215 726 G HA3 -0.225 3.769 3.960 0.056 0.000 0.215 726 G C 1.592 176.544 174.900 0.087 0.000 1.156 726 G CA 0.769 45.907 45.100 0.063 0.000 0.793 726 G HN 0.483 nan 8.290 nan 0.000 0.535 727 S N 0.068 115.821 115.700 0.089 0.000 2.356 727 S HA -0.154 4.350 4.470 0.056 0.000 0.223 727 S C 2.106 176.785 174.600 0.132 0.000 1.032 727 S CA 1.552 59.805 58.200 0.088 0.000 1.005 727 S CB -0.457 62.787 63.200 0.073 0.000 0.867 727 S HN 0.375 nan 8.310 nan 0.000 0.449 728 F N 1.977 121.925 119.950 -0.004 0.000 2.126 728 F HA -0.055 4.506 4.527 0.057 0.000 0.299 728 F C 2.021 177.817 175.800 -0.007 0.000 1.096 728 F CA 1.644 59.641 58.000 -0.005 0.000 1.255 728 F CB -0.398 38.600 39.000 -0.003 0.000 0.997 728 F HN 0.202 nan 8.300 nan 0.000 0.479 729 M N 0.288 120.075 119.600 0.312 0.000 2.175 729 M HA -0.156 4.358 4.480 0.056 0.000 0.264 729 M C 1.776 178.091 176.300 0.025 0.000 1.063 729 M CA 1.297 56.687 55.300 0.150 0.000 1.119 729 M CB -1.349 31.350 32.600 0.166 0.000 1.377 729 M HN 0.139 nan 8.290 nan 0.000 0.415 730 D N 0.325 120.743 120.400 0.030 0.000 2.144 730 D HA -0.124 4.550 4.640 0.056 0.000 0.200 730 D C 1.978 178.258 176.300 -0.033 0.000 0.978 730 D CA 1.024 55.025 54.000 0.001 0.000 0.833 730 D CB -0.076 40.731 40.800 0.012 0.000 0.961 730 D HN 0.474 nan 8.370 nan 0.000 0.470 731 E N 0.714 120.880 120.200 -0.057 0.000 2.017 731 E HA -0.129 4.255 4.350 0.056 0.000 0.193 731 E C 2.245 178.763 176.600 -0.136 0.000 0.997 731 E CA 0.199 56.541 56.400 -0.096 0.000 0.804 731 E CB -0.140 29.488 29.700 -0.120 0.000 0.757 731 E HN 0.130 nan 8.360 nan 0.000 0.448 732 L N 1.038 122.138 121.223 -0.205 0.000 1.991 732 L HA -0.274 4.100 4.340 0.056 0.000 0.221 732 L C 2.396 179.199 176.870 -0.111 0.000 1.079 732 L CA 1.767 56.491 54.840 -0.193 0.000 0.778 732 L CB -0.508 41.413 42.059 -0.230 0.000 0.893 732 L HN 0.259 nan 8.230 nan 0.000 0.437 733 L N -0.949 120.231 121.223 -0.073 0.000 2.131 733 L HA -0.210 4.164 4.340 0.056 0.000 0.210 733 L C 2.462 179.307 176.870 -0.041 0.000 1.092 733 L CA 1.493 56.306 54.840 -0.045 0.000 0.759 733 L CB -0.675 41.369 42.059 -0.024 0.000 0.903 733 L HN 0.298 nan 8.230 nan 0.000 0.435 734 T N 0.187 114.713 114.554 -0.046 0.000 2.708 734 T HA -0.168 4.215 4.350 0.056 0.000 0.266 734 T C 1.955 176.624 174.700 -0.052 0.000 1.037 734 T CA 1.260 63.337 62.100 -0.038 0.000 1.146 734 T CB -0.273 68.574 68.868 -0.034 0.000 0.865 734 T HN 0.189 nan 8.240 nan 0.000 0.435 735 L N 0.293 121.466 121.223 -0.083 0.000 2.042 735 L HA -0.111 4.263 4.340 0.056 0.000 0.210 735 L C 2.713 179.519 176.870 -0.108 0.000 1.076 735 L CA 1.363 56.135 54.840 -0.114 0.000 0.749 735 L CB -0.561 41.409 42.059 -0.148 0.000 0.893 735 L HN 0.310 nan 8.230 nan 0.000 0.432 736 M N -0.910 118.642 119.600 -0.081 0.000 2.229 736 M HA -0.158 4.356 4.480 0.056 0.000 0.264 736 M C 2.403 178.702 176.300 -0.003 0.000 1.063 736 M CA 1.595 56.864 55.300 -0.051 0.000 1.114 736 M CB -0.436 32.143 32.600 -0.035 0.000 1.387 736 M HN 0.317 nan 8.290 nan 0.000 0.420 737 A N 0.142 122.962 122.820 0.000 0.000 2.067 737 A HA 0.079 4.433 4.320 0.056 0.000 0.219 737 A C 2.128 179.752 177.584 0.066 0.000 1.158 737 A CA 1.612 53.670 52.037 0.034 0.000 0.661 737 A CB -0.565 18.450 19.000 0.025 0.000 0.801 737 A HN 0.492 nan 8.150 nan 0.000 0.452 738 A N -2.735 120.104 122.820 0.031 0.000 2.275 738 A HA 0.369 4.723 4.320 0.056 0.000 0.212 738 A C 0.914 178.517 177.584 0.032 0.000 1.201 738 A CA 1.248 53.314 52.037 0.049 0.000 0.843 738 A CB -0.385 18.598 19.000 -0.029 0.000 0.873 738 A HN 0.979 nan 8.150 nan 0.000 0.492 739 H N -1.496 117.505 119.070 -0.115 0.000 4.773 739 H HA -0.167 4.423 4.556 0.057 0.000 0.067 739 H C -0.030 175.072 175.328 -0.377 0.000 0.606 739 H CA 2.245 58.211 56.048 -0.136 0.000 0.950 739 H CB -0.631 29.158 29.762 0.044 0.000 0.425 739 H HN 0.440 nan 8.280 nan 0.000 0.800 740 R N -0.202 119.744 120.500 -0.923 0.000 2.836 740 R HA 0.619 4.992 4.340 0.056 0.000 0.269 740 R C -0.709 174.776 176.300 -1.358 0.000 1.010 740 R CA -0.313 55.004 56.100 -1.305 0.000 0.930 740 R CB 1.752 30.940 30.300 -1.854 0.000 1.218 740 R HN 0.077 nan 8.270 nan 0.000 0.473 741 V N 2.463 121.808 119.914 -0.949 0.000 2.222 741 V HA 0.105 4.259 4.120 0.056 0.000 0.253 741 V C 0.713 176.438 176.094 -0.615 0.000 1.210 741 V CA -0.398 61.502 62.300 -0.667 0.000 1.079 741 V CB -0.302 31.266 31.823 -0.425 0.000 1.265 741 V HN 0.711 nan 8.190 nan 0.000 0.494 742 W N 1.653 122.665 121.300 -0.481 0.000 2.392 742 W HA -0.180 4.513 4.660 0.056 0.000 0.279 742 W C 2.527 178.812 176.519 -0.389 0.000 1.225 742 W CA 0.852 57.806 57.345 -0.652 0.000 1.233 742 W CB -0.391 28.243 29.460 -1.376 0.000 1.122 742 W HN 0.655 nan 8.180 nan 0.000 0.561 743 S N 0.755 116.388 115.700 -0.111 0.000 2.500 743 S HA -0.177 4.326 4.470 0.056 0.000 0.239 743 S C 1.715 176.270 174.600 -0.074 0.000 0.989 743 S CA 1.022 59.184 58.200 -0.062 0.000 0.951 743 S CB -0.441 62.725 63.200 -0.057 0.000 0.759 743 S HN 0.432 nan 8.310 nan 0.000 0.523 744 R N 0.775 121.190 120.500 -0.141 0.000 2.275 744 R HA 0.234 4.607 4.340 0.056 0.000 0.199 744 R C 1.817 178.041 176.300 -0.127 0.000 0.989 744 R CA 0.395 56.389 56.100 -0.177 0.000 1.016 744 R CB -0.367 29.721 30.300 -0.354 0.000 0.918 744 R HN 0.470 nan 8.270 nan 0.000 0.473 745 I N 1.924 122.458 120.570 -0.061 0.000 2.145 745 I HA -0.234 3.970 4.170 0.056 0.000 0.244 745 I C -0.795 175.339 176.117 0.029 0.000 1.075 745 I CA 1.405 62.713 61.300 0.013 0.000 1.332 745 I CB -0.834 37.221 38.000 0.091 0.000 1.033 745 I HN 0.172 nan 8.210 nan 0.000 0.410 746 P HA -0.123 nan 4.420 nan 0.000 0.230 746 P C 0.806 178.131 177.300 0.042 0.000 1.158 746 P CA 1.227 64.352 63.100 0.042 0.000 0.769 746 P CB -0.096 31.628 31.700 0.040 0.000 0.807 747 K N -0.297 120.122 120.400 0.032 0.000 2.379 747 K HA 0.145 4.499 4.320 0.056 0.000 0.194 747 K C 1.844 178.501 176.600 0.095 0.000 1.031 747 K CA 0.539 56.869 56.287 0.072 0.000 1.037 747 K CB -0.237 32.331 32.500 0.114 0.000 0.824 747 K HN 0.296 nan 8.250 nan 0.000 0.516 748 I N -0.541 120.054 120.570 0.042 0.000 3.059 748 I HA -0.053 4.151 4.170 0.056 0.000 0.270 748 I C 0.822 176.983 176.117 0.073 0.000 1.238 748 I CA 0.820 62.151 61.300 0.051 0.000 1.478 748 I CB -0.316 37.670 38.000 -0.024 0.000 1.097 748 I HN -0.056 nan 8.210 nan 0.000 0.455 749 D N 1.154 121.597 120.400 0.071 0.000 2.363 749 D HA -0.115 4.559 4.640 0.056 0.000 0.220 749 D C 1.733 178.073 176.300 0.068 0.000 0.994 749 D CA 0.580 54.624 54.000 0.074 0.000 0.890 749 D CB -0.233 40.614 40.800 0.078 0.000 0.906 749 D HN 0.371 nan 8.370 nan 0.000 0.530 750 K N -0.313 120.128 120.400 0.068 0.000 2.400 750 K HA 0.128 4.481 4.320 0.056 0.000 0.194 750 K C 0.338 176.972 176.600 0.057 0.000 1.033 750 K CA -0.098 56.225 56.287 0.059 0.000 1.021 750 K CB 0.561 33.095 32.500 0.056 0.000 0.808 750 K HN 0.239 nan 8.250 nan 0.000 0.505 751 I N 3.634 124.246 120.570 0.071 0.000 2.352 751 I HA 0.115 4.319 4.170 0.056 0.000 0.290 751 I C -2.359 173.793 176.117 0.057 0.000 1.036 751 I CA -2.297 59.042 61.300 0.065 0.000 1.336 751 I CB 1.192 39.257 38.000 0.108 0.000 1.407 751 I HN -0.043 nan 8.210 nan 0.000 0.497 752 P HA 0.406 nan 4.420 nan 0.000 0.251 752 P C -0.957 176.403 177.300 0.100 0.000 1.718 752 P CA -0.129 63.010 63.100 0.065 0.000 1.119 752 P CB 0.636 32.368 31.700 0.053 0.000 1.762 753 A N 0.000 122.884 122.820 0.107 0.000 2.254 753 A HA 0.000 4.354 4.320 0.056 0.000 0.244 753 A CA 0.000 52.155 52.037 0.197 0.000 0.836 753 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486