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 2qvw_1_A DATA FIRST_RESID -1 DATA SEQUENCE GAMHALGHCC TVVTTRGPSH WLLLLDTHLG TLPGFKVSAG RGLPAAEVYF DATA SEQUENCE EAGPRVSLSR TDATIVAVYQ SILFQLLGPT FPASWTEIGA TMPHNEYTFP DATA SEQUENCE RFISNPPQFA TLAFLPLLSP TSPLDLRALM VTAQLMCDAK RLSDEXXXXX DATA SEQUENCE XLSASLHGRM VATPEISWSL YVVLGIDSTQ TSLSYFTRAN ESITYMRYYA DATA SEQUENCE TAHNIHLRAA DLPLVAAVRL DDLKDHQIPA PGSXDDLAPK LRFLPPELCL DATA SEQUENCE LLPDEFDLIR VQALQFLPEI AKHICDIQNT ICALDKSFPD CGRIGGERYF DATA SEQUENCE AITAGLRLDQ GRGRGLAGWR TPFGPFGVSH TDVFQRLELL GDAVLGFIVT DATA SEQUENCE ARLLCLFPDA SVGTLVELKM ELVRNEALNY LVQTLGLPQL AEFSNNLXXK DATA SEQUENCE SKTWADMYEE IVGSIFTGPN GIYGCEEFLA KTLMSPEHSK TXXXACPDAV DATA SEQUENCE TKASKRVCMG EAGAHEFRSL VDYACEQGIS VFCSSRVSTM FLERLRDIPA DATA SEQUENCE EDMLDWYRLG IQFSHRSGLS GPGGVVSVID IMTHLARGLW LGSPGFYVEQ DATA SEQUENCE XXXXXXXXXP PTIPVLYIYH RSVQCPVLYG SLTXXXTGPV ASKVLALYEK DATA SEQUENCE ILAYESSGGS KHIAAQTVSR SLAVPIPSGT IPFLIRLLQI ALTPHVYQKL DATA SEQUENCE ELLGDAFLKC SLALHLHALH PTLTEGALTR MRQSAETNSV LGRLTKRFPS DATA SEQUENCE VVSEVIIESH PKIQPDSKVY GDTFEAILAA ILLACGEEAA GAFVREHVLP DATA SEQUENCE QVVADA 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.923 174.900 0.039 0.000 0.946 -1 G CA 0.000 45.120 45.100 0.033 0.000 0.502 0 A N -0.094 122.756 122.820 0.051 0.000 2.486 0 A HA 0.756 5.076 4.320 -0.000 0.000 0.277 0 A C 1.315 178.937 177.584 0.063 0.000 1.282 0 A CA 0.394 52.464 52.037 0.056 0.000 0.784 0 A CB 0.490 19.530 19.000 0.066 0.000 1.350 0 A HN 0.742 nan 8.150 nan 0.000 0.454 1 M N -0.057 119.572 119.600 0.047 0.000 2.147 1 M HA -0.206 4.274 4.480 -0.000 0.000 0.253 1 M C 0.613 176.941 176.300 0.046 0.000 1.075 1 M CA 1.890 57.205 55.300 0.026 0.000 1.085 1 M CB -0.605 31.993 32.600 -0.005 0.000 1.305 1 M HN 0.735 nan 8.290 nan 0.000 0.409 2 H N 1.476 120.537 119.070 -0.015 0.000 3.283 2 H HA 0.073 4.629 4.556 -0.000 0.000 0.203 2 H C -1.028 174.266 175.328 -0.057 0.000 0.731 2 H CA 1.111 57.136 56.048 -0.038 0.000 1.361 2 H CB -0.800 28.937 29.762 -0.042 0.000 1.504 2 H HN 0.445 nan 8.280 nan 0.000 0.497 3 A N 6.165 129.029 122.820 0.072 0.000 2.611 3 A HA 0.340 4.660 4.320 -0.000 0.000 0.282 3 A C -1.101 176.469 177.584 -0.023 0.000 1.114 3 A CA -0.755 51.295 52.037 0.022 0.000 0.800 3 A CB 0.444 19.451 19.000 0.011 0.000 1.325 3 A HN 0.316 nan 8.150 nan 0.000 0.411 4 L N 2.042 123.234 121.223 -0.052 0.000 2.290 4 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 4 L C 1.118 177.863 176.870 -0.208 0.000 1.078 4 L CA 0.445 55.209 54.840 -0.127 0.000 0.815 4 L CB 1.268 43.247 42.059 -0.134 0.000 1.162 4 L HN 0.724 nan 8.230 nan 0.000 0.435 5 G N 1.972 110.631 108.800 -0.235 0.000 2.420 5 G HA2 0.503 4.463 3.960 -0.000 0.000 0.284 5 G HA3 0.503 4.463 3.960 -0.000 0.000 0.284 5 G C -0.775 173.907 174.900 -0.363 0.000 1.177 5 G CA -0.212 44.775 45.100 -0.188 0.000 0.841 5 G HN 0.567 nan 8.290 nan 0.000 0.527 6 H N -0.094 119.028 119.070 0.086 0.000 2.966 6 H HA 0.215 4.771 4.556 -0.000 0.000 0.347 6 H C -1.056 174.386 175.328 0.190 0.000 1.048 6 H CA -0.560 55.571 56.048 0.138 0.000 1.295 6 H CB 1.710 31.557 29.762 0.141 0.000 1.744 6 H HN 0.455 nan 8.280 nan 0.000 0.513 7 C N 4.051 123.534 119.300 0.306 0.000 2.158 7 C HA 0.252 4.712 4.460 -0.000 0.000 0.350 7 C C 1.222 176.390 174.990 0.296 0.000 1.064 7 C CA -0.526 58.642 59.018 0.251 0.000 1.507 7 C CB -1.626 26.203 27.740 0.148 0.000 1.934 7 C HN 0.658 nan 8.230 nan 0.000 0.479 8 C N 2.606 122.114 119.300 0.348 0.000 2.649 8 C HA 0.594 5.053 4.460 -0.000 0.000 0.377 8 C C 0.852 175.992 174.990 0.249 0.000 1.321 8 C CA 0.122 59.297 59.018 0.260 0.000 2.368 8 C CB 0.203 28.102 27.740 0.265 0.000 2.597 8 C HN 0.831 nan 8.230 nan 0.000 0.678 9 T N 1.262 115.875 114.554 0.098 0.000 3.348 9 T HA 0.236 4.586 4.350 -0.000 0.000 0.328 9 T C -0.819 173.845 174.700 -0.060 0.000 0.913 9 T CA -0.288 61.860 62.100 0.080 0.000 1.043 9 T CB 0.777 69.765 68.868 0.201 0.000 1.021 9 T HN 0.392 nan 8.240 nan 0.000 0.461 10 V N 4.108 123.965 119.914 -0.095 0.000 2.385 10 V HA 0.440 4.560 4.120 -0.000 0.000 0.269 10 V C 0.230 176.206 176.094 -0.198 0.000 1.043 10 V CA -0.460 61.707 62.300 -0.221 0.000 0.906 10 V CB 1.168 32.893 31.823 -0.163 0.000 0.995 10 V HN 0.669 nan 8.190 nan 0.000 0.467 11 V N 5.066 124.847 119.914 -0.223 0.000 2.547 11 V HA 0.819 4.939 4.120 -0.000 0.000 0.299 11 V C 0.316 176.284 176.094 -0.210 0.000 1.040 11 V CA -0.237 61.974 62.300 -0.148 0.000 0.913 11 V CB 2.096 33.916 31.823 -0.004 0.000 0.992 11 V HN 1.023 nan 8.190 nan 0.000 0.449 12 T N -0.994 113.474 114.554 -0.143 0.000 2.754 12 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 12 T C 0.921 175.577 174.700 -0.074 0.000 1.205 12 T CA 0.121 62.144 62.100 -0.129 0.000 1.009 12 T CB 1.348 70.152 68.868 -0.106 0.000 1.368 12 T HN 0.394 nan 8.240 nan 0.000 0.509 13 T N 1.223 115.743 114.554 -0.057 0.000 2.649 13 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 13 T C 2.064 176.747 174.700 -0.028 0.000 1.036 13 T CA 2.403 64.481 62.100 -0.037 0.000 1.157 13 T CB -0.489 68.361 68.868 -0.029 0.000 0.861 13 T HN 0.720 nan 8.240 nan 0.000 0.445 14 R N 0.844 121.329 120.500 -0.025 0.000 2.066 14 R HA 0.321 4.661 4.340 -0.000 0.000 0.232 14 R C 1.421 177.705 176.300 -0.026 0.000 1.131 14 R CA 1.069 57.159 56.100 -0.017 0.000 0.955 14 R CB -0.238 30.057 30.300 -0.008 0.000 0.851 14 R HN 0.464 nan 8.270 nan 0.000 0.432 15 G N 0.095 108.871 108.800 -0.041 0.000 2.317 15 G HA2 0.213 4.173 3.960 -0.000 0.000 0.293 15 G HA3 0.213 4.173 3.960 -0.000 0.000 0.293 15 G C -3.137 171.712 174.900 -0.084 0.000 1.287 15 G CA -1.065 44.004 45.100 -0.051 0.000 0.850 15 G HN -0.016 nan 8.290 nan 0.000 0.515 16 P HA 0.492 nan 4.420 nan 0.000 0.290 16 P C -0.857 176.219 177.300 -0.373 0.000 1.276 16 P CA -0.248 62.714 63.100 -0.230 0.000 0.808 16 P CB 1.978 33.560 31.700 -0.196 0.000 0.966 17 S N 2.673 118.133 115.700 -0.400 0.000 2.659 17 S HA 0.355 4.825 4.470 -0.000 0.000 0.312 17 S C -0.537 173.822 174.600 -0.401 0.000 1.114 17 S CA -0.604 57.396 58.200 -0.333 0.000 1.063 17 S CB -0.010 63.203 63.200 0.023 0.000 0.996 17 S HN 0.352 nan 8.310 nan 0.000 0.478 18 H N 3.089 122.031 119.070 -0.214 0.000 2.467 18 H HA 0.486 5.042 4.556 -0.000 0.000 0.331 18 H C -1.003 174.085 175.328 -0.399 0.000 1.120 18 H CA -0.290 55.670 56.048 -0.146 0.000 1.270 18 H CB 0.881 30.573 29.762 -0.116 0.000 1.466 18 H HN 0.599 nan 8.280 nan 0.000 0.504 19 W N 1.273 122.644 121.300 0.119 0.000 3.167 19 W HA 0.304 4.964 4.660 -0.000 0.000 0.324 19 W C -0.976 175.632 176.519 0.147 0.000 1.230 19 W CA -0.775 56.636 57.345 0.109 0.000 1.184 19 W CB 1.223 30.737 29.460 0.089 0.000 1.414 19 W HN 0.296 nan 8.180 nan 0.000 0.551 20 L N 4.152 125.600 121.223 0.375 0.000 2.277 20 L HA 0.584 4.924 4.340 -0.000 0.000 0.284 20 L C -1.031 176.001 176.870 0.270 0.000 1.028 20 L CA -0.795 54.198 54.840 0.254 0.000 0.835 20 L CB 0.094 42.230 42.059 0.127 0.000 1.215 20 L HN 0.378 nan 8.230 nan 0.000 0.425 21 L N 6.389 127.787 121.223 0.292 0.000 2.281 21 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 21 L C -1.092 175.824 176.870 0.076 0.000 1.074 21 L CA 0.044 54.988 54.840 0.173 0.000 0.817 21 L CB 0.724 42.953 42.059 0.284 0.000 1.168 21 L HN 0.574 nan 8.230 nan 0.000 0.434 22 L N 6.872 128.061 121.223 -0.056 0.000 2.280 22 L HA 0.477 4.817 4.340 -0.000 0.000 0.287 22 L C -0.566 176.264 176.870 -0.067 0.000 1.023 22 L CA -0.357 54.458 54.840 -0.041 0.000 0.819 22 L CB 1.117 43.154 42.059 -0.036 0.000 1.212 22 L HN 0.534 nan 8.230 nan 0.000 0.420 23 L N 3.082 124.294 121.223 -0.018 0.000 2.334 23 L HA 0.329 4.669 4.340 -0.000 0.000 0.276 23 L C 0.550 177.386 176.870 -0.056 0.000 1.014 23 L CA -0.636 54.184 54.840 -0.034 0.000 0.815 23 L CB 2.216 44.290 42.059 0.024 0.000 1.268 23 L HN 0.630 nan 8.230 nan 0.000 0.428 24 D N -0.176 120.170 120.400 -0.091 0.000 2.319 24 D HA 0.020 4.660 4.640 -0.000 0.000 0.230 24 D C -0.016 176.103 176.300 -0.302 0.000 1.094 24 D CA 0.031 53.929 54.000 -0.169 0.000 0.856 24 D CB 0.266 40.965 40.800 -0.168 0.000 0.915 24 D HN 0.410 nan 8.370 nan 0.000 0.517 25 T N -0.789 113.642 114.554 -0.206 0.000 2.883 25 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 25 T C -0.726 173.857 174.700 -0.195 0.000 1.117 25 T CA -0.763 61.204 62.100 -0.221 0.000 1.006 25 T CB 1.749 70.549 68.868 -0.113 0.000 1.191 25 T HN 0.061 nan 8.240 nan 0.000 0.508 26 H N 1.989 121.100 119.070 0.067 0.000 2.761 26 H HA 0.362 4.918 4.556 -0.000 0.000 0.284 26 H C -0.244 175.115 175.328 0.052 0.000 1.105 26 H CA -0.319 55.773 56.048 0.074 0.000 1.352 26 H CB 0.436 30.240 29.762 0.071 0.000 1.423 26 H HN 0.328 nan 8.280 nan 0.000 0.464 27 L N 2.797 124.115 121.223 0.160 0.000 3.186 27 L HA 0.221 4.561 4.340 -0.000 0.000 0.292 27 L C 1.446 178.377 176.870 0.102 0.000 1.303 27 L CA -0.395 54.497 54.840 0.086 0.000 0.940 27 L CB 0.549 42.606 42.059 -0.004 0.000 1.358 27 L HN 0.818 nan 8.230 nan 0.000 0.581 28 G N 1.587 110.471 108.800 0.140 0.000 2.660 28 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.338 28 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.338 28 G C 0.346 175.342 174.900 0.160 0.000 1.336 28 G CA 0.655 45.833 45.100 0.131 0.000 0.990 28 G HN 0.466 nan 8.290 nan 0.000 0.537 29 T N -0.893 113.735 114.554 0.124 0.000 2.909 29 T HA 0.655 5.005 4.350 -0.000 0.000 0.286 29 T C 0.218 174.947 174.700 0.047 0.000 1.002 29 T CA -0.722 61.453 62.100 0.124 0.000 1.074 29 T CB 1.479 70.415 68.868 0.113 0.000 0.984 29 T HN 0.724 nan 8.240 nan 0.000 0.495 30 L N 3.846 125.053 121.223 -0.026 0.000 2.272 30 L HA 0.430 4.770 4.340 -0.000 0.000 0.289 30 L C -2.031 174.923 176.870 0.139 0.000 1.032 30 L CA -2.491 52.267 54.840 -0.137 0.000 0.810 30 L CB 1.607 43.227 42.059 -0.732 0.000 1.205 30 L HN 0.534 nan 8.230 nan 0.000 0.422 31 P HA 0.051 nan 4.420 nan 0.000 0.271 31 P C 0.246 177.640 177.300 0.157 0.000 1.226 31 P CA 0.005 63.151 63.100 0.077 0.000 0.765 31 P CB 1.079 32.788 31.700 0.015 0.000 0.835 32 G N 3.414 112.041 108.800 -0.288 0.000 2.647 32 G HA2 0.417 4.377 3.960 -0.000 0.000 0.271 32 G HA3 0.417 4.377 3.960 -0.000 0.000 0.271 32 G C -0.575 173.808 174.900 -0.862 0.000 1.300 32 G CA -0.259 44.430 45.100 -0.685 0.000 0.997 32 G HN 0.624 nan 8.290 nan 0.000 0.533 33 F N -2.716 116.725 119.950 -0.849 0.000 2.725 33 F HA 0.560 5.087 4.527 -0.000 0.000 0.311 33 F C -0.789 174.984 175.800 -0.044 0.000 1.121 33 F CA -1.637 56.184 58.000 -0.299 0.000 0.978 33 F CB 0.761 39.587 39.000 -0.290 0.000 1.274 33 F HN 0.722 nan 8.300 nan 0.000 0.440 34 K N 1.742 122.219 120.400 0.127 0.000 2.156 34 K HA 0.870 5.190 4.320 -0.000 0.000 0.250 34 K C -1.211 175.423 176.600 0.057 0.000 0.955 34 K CA -1.069 55.155 56.287 -0.105 0.000 0.855 34 K CB 2.712 35.173 32.500 -0.066 0.000 1.101 34 K HN 0.830 nan 8.250 nan 0.000 0.434 35 V N -0.865 119.030 119.914 -0.030 0.000 2.448 35 V HA 0.325 4.445 4.120 -0.000 0.000 0.295 35 V C 0.315 176.518 176.094 0.180 0.000 1.025 35 V CA -0.982 61.420 62.300 0.170 0.000 0.859 35 V CB 0.801 32.752 31.823 0.213 0.000 0.988 35 V HN 0.980 nan 8.190 nan 0.000 0.431 36 S N 3.786 119.672 115.700 0.309 0.000 2.598 36 S HA 0.580 5.050 4.470 -0.000 0.000 0.256 36 S C 0.539 175.344 174.600 0.341 0.000 1.350 36 S CA 0.025 58.413 58.200 0.314 0.000 0.984 36 S CB 0.572 63.991 63.200 0.365 0.000 0.930 36 S HN 1.996 nan 8.310 nan 0.000 0.577 37 A N 0.418 123.409 122.820 0.284 0.000 2.366 37 A HA 0.718 5.038 4.320 -0.000 0.000 0.272 37 A C 0.771 178.537 177.584 0.304 0.000 1.135 37 A CA 0.171 52.334 52.037 0.210 0.000 0.804 37 A CB -0.438 18.645 19.000 0.137 0.000 1.064 37 A HN 1.746 nan 8.150 nan 0.000 0.499 38 G N 0.641 109.466 108.800 0.042 0.000 2.356 38 G HA2 0.408 4.368 3.960 -0.000 0.000 0.281 38 G HA3 0.408 4.368 3.960 -0.000 0.000 0.281 38 G C -0.610 174.081 174.900 -0.350 0.000 1.246 38 G CA -0.473 44.550 45.100 -0.127 0.000 0.889 38 G HN 0.862 nan 8.290 nan 0.000 0.486 39 R N -0.163 120.073 120.500 -0.440 0.000 2.885 39 R HA -0.077 4.263 4.340 -0.000 0.000 0.215 39 R C 1.681 177.848 176.300 -0.221 0.000 0.807 39 R CA 2.126 58.039 56.100 -0.313 0.000 0.551 39 R CB -1.471 28.564 30.300 -0.443 0.000 1.175 39 R HN 2.514 nan 8.270 nan 0.000 0.511 40 G N -2.029 106.683 108.800 -0.146 0.000 2.383 40 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.229 40 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.229 40 G C -0.009 174.816 174.900 -0.124 0.000 1.089 40 G CA 0.077 45.108 45.100 -0.116 0.000 0.640 40 G HN 0.429 nan 8.290 nan 0.000 0.510 41 L N 0.350 121.462 121.223 -0.185 0.000 2.309 41 L HA 0.874 5.214 4.340 -0.000 0.000 0.282 41 L C -1.919 174.941 176.870 -0.017 0.000 1.036 41 L CA -2.736 52.018 54.840 -0.142 0.000 0.806 41 L CB 1.061 42.888 42.059 -0.387 0.000 1.220 41 L HN 0.077 nan 8.230 nan 0.000 0.429 42 P HA 0.242 nan 4.420 nan 0.000 0.276 42 P C -0.480 176.910 177.300 0.150 0.000 1.244 42 P CA -0.418 62.736 63.100 0.090 0.000 0.801 42 P CB 1.025 32.738 31.700 0.021 0.000 1.006 43 A N 1.263 124.130 122.820 0.079 0.000 2.587 43 A HA 0.394 4.714 4.320 -0.000 0.000 0.233 43 A C 0.500 178.019 177.584 -0.108 0.000 1.049 43 A CA 1.017 53.072 52.037 0.031 0.000 0.754 43 A CB -1.060 17.957 19.000 0.029 0.000 0.977 43 A HN 0.816 nan 8.150 nan 0.000 0.509 44 A N 2.166 124.834 122.820 -0.253 0.000 2.557 44 A HA 0.786 5.106 4.320 -0.000 0.000 0.292 44 A C -1.105 176.204 177.584 -0.458 0.000 1.139 44 A CA -0.709 51.053 52.037 -0.460 0.000 0.665 44 A CB 0.997 19.416 19.000 -0.969 0.000 1.285 44 A HN 0.779 nan 8.150 nan 0.000 0.433 45 E N -0.799 119.088 120.200 -0.522 0.000 2.314 45 E HA 0.603 4.952 4.350 -0.000 0.000 0.272 45 E C -1.467 174.604 176.600 -0.881 0.000 0.884 45 E CA -0.589 55.428 56.400 -0.638 0.000 0.753 45 E CB 2.316 31.698 29.700 -0.531 0.000 1.213 45 E HN 0.448 nan 8.360 nan 0.000 0.432 46 V N 2.893 122.100 119.914 -1.179 0.000 2.487 46 V HA 0.459 4.579 4.120 -0.000 0.000 0.298 46 V C -1.243 174.075 176.094 -1.293 0.000 1.028 46 V CA -0.826 60.749 62.300 -1.209 0.000 0.860 46 V CB 0.474 31.430 31.823 -1.445 0.000 0.991 46 V HN 0.584 nan 8.190 nan 0.000 0.427 47 Y N 4.069 123.982 120.300 -0.646 0.000 2.429 47 Y HA 0.772 5.322 4.550 -0.000 0.000 0.342 47 Y C -0.357 175.189 175.900 -0.590 0.000 1.004 47 Y CA -0.839 56.972 58.100 -0.482 0.000 1.075 47 Y CB 1.648 40.015 38.460 -0.154 0.000 1.214 47 Y HN 0.494 nan 8.280 nan 0.000 0.455 48 F N 0.674 120.691 119.950 0.112 0.000 2.594 48 F HA 0.653 5.180 4.527 -0.000 0.000 0.335 48 F C -0.612 175.256 175.800 0.113 0.000 1.058 48 F CA -1.402 56.654 58.000 0.094 0.000 0.981 48 F CB 2.042 41.054 39.000 0.020 0.000 1.289 48 F HN 0.485 nan 8.300 nan 0.000 0.490 49 E N 0.280 120.700 120.200 0.366 0.000 2.883 49 E HA 0.518 4.868 4.350 -0.000 0.000 0.355 49 E C -1.500 175.254 176.600 0.258 0.000 0.939 49 E CA -0.989 55.557 56.400 0.244 0.000 0.783 49 E CB 0.626 30.415 29.700 0.147 0.000 1.361 49 E HN 0.800 nan 8.360 nan 0.000 0.413 50 A N 2.599 125.566 122.820 0.244 0.000 2.632 50 A HA 0.401 4.721 4.320 -0.000 0.000 0.229 50 A C 0.663 178.276 177.584 0.048 0.000 1.047 50 A CA 1.264 53.386 52.037 0.141 0.000 0.754 50 A CB 0.142 19.200 19.000 0.096 0.000 0.969 50 A HN 0.875 nan 8.150 nan 0.000 0.509 51 G N 0.782 109.553 108.800 -0.047 0.000 3.243 51 G HA2 0.760 4.720 3.960 -0.000 0.000 0.248 51 G HA3 0.760 4.720 3.960 -0.000 0.000 0.248 51 G C -2.693 172.177 174.900 -0.050 0.000 1.267 51 G CA -0.428 44.652 45.100 -0.033 0.000 0.906 51 G HN 0.785 nan 8.290 nan 0.000 0.592 52 P HA 0.381 nan 4.420 nan 0.000 0.279 52 P C -0.881 176.392 177.300 -0.045 0.000 1.252 52 P CA -0.561 62.519 63.100 -0.034 0.000 0.811 52 P CB 1.511 33.196 31.700 -0.024 0.000 1.035 53 R N 0.900 121.381 120.500 -0.033 0.000 3.701 53 R HA 0.245 4.585 4.340 -0.000 0.000 0.210 53 R C 0.132 176.416 176.300 -0.028 0.000 1.598 53 R CA -0.573 55.509 56.100 -0.031 0.000 1.427 53 R CB -0.279 30.012 30.300 -0.015 0.000 1.339 53 R HN 0.272 nan 8.270 nan 0.000 0.720 54 V N 2.878 122.776 119.914 -0.028 0.000 2.493 54 V HA -0.034 4.086 4.120 -0.000 0.000 0.292 54 V C 0.477 176.564 176.094 -0.012 0.000 1.016 54 V CA 0.098 62.387 62.300 -0.019 0.000 1.097 54 V CB 0.590 32.404 31.823 -0.016 0.000 0.947 54 V HN 0.733 nan 8.190 nan 0.000 0.479 55 S N 7.649 123.343 115.700 -0.010 0.000 2.652 55 S HA 0.790 5.260 4.470 -0.000 0.000 0.270 55 S C -0.645 173.957 174.600 0.003 0.000 1.243 55 S CA -0.851 57.346 58.200 -0.004 0.000 0.999 55 S CB 1.557 64.753 63.200 -0.008 0.000 0.973 55 S HN 0.703 nan 8.310 nan 0.000 0.544 56 L N 1.609 122.838 121.223 0.011 0.000 2.464 56 L HA 0.437 4.777 4.340 -0.000 0.000 0.266 56 L C -0.179 176.701 176.870 0.017 0.000 0.965 56 L CA -0.719 54.130 54.840 0.015 0.000 0.833 56 L CB 2.558 44.630 42.059 0.021 0.000 1.296 56 L HN 0.944 nan 8.230 nan 0.000 0.405 57 S N 1.747 117.457 115.700 0.015 0.000 2.523 57 S HA 0.242 4.712 4.470 -0.000 0.000 0.275 57 S C 1.090 175.703 174.600 0.021 0.000 1.281 57 S CA -0.563 57.647 58.200 0.016 0.000 1.050 57 S CB 1.519 64.727 63.200 0.013 0.000 0.937 57 S HN 0.794 nan 8.310 nan 0.000 0.492 58 R N 2.267 122.780 120.500 0.022 0.000 2.208 58 R HA -0.215 4.125 4.340 -0.000 0.000 0.262 58 R C 1.627 177.943 176.300 0.027 0.000 1.166 58 R CA 2.522 58.637 56.100 0.025 0.000 0.987 58 R CB -1.303 29.011 30.300 0.023 0.000 0.887 58 R HN 0.848 nan 8.270 nan 0.000 0.459 59 T N 0.749 115.318 114.554 0.025 0.000 2.701 59 T HA -0.114 4.236 4.350 -0.000 0.000 0.263 59 T C 1.161 175.880 174.700 0.031 0.000 1.040 59 T CA 1.471 63.587 62.100 0.027 0.000 1.147 59 T CB -0.391 68.491 68.868 0.023 0.000 0.865 59 T HN 0.378 nan 8.240 nan 0.000 0.426 60 D N 1.573 121.989 120.400 0.027 0.000 2.228 60 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 60 D C 2.239 178.562 176.300 0.038 0.000 0.988 60 D CA 1.132 55.150 54.000 0.029 0.000 0.864 60 D CB -0.336 40.476 40.800 0.021 0.000 0.928 60 D HN 0.431 nan 8.370 nan 0.000 0.469 61 A N 0.771 123.614 122.820 0.038 0.000 1.969 61 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 61 A C 2.373 179.991 177.584 0.057 0.000 1.169 61 A CA 2.180 54.244 52.037 0.046 0.000 0.635 61 A CB -0.740 18.284 19.000 0.041 0.000 0.810 61 A HN 0.384 nan 8.150 nan 0.000 0.445 62 T N -2.047 112.538 114.554 0.052 0.000 2.985 62 T HA 0.078 4.428 4.350 -0.000 0.000 0.266 62 T C 1.711 176.452 174.700 0.069 0.000 1.076 62 T CA 1.100 63.234 62.100 0.057 0.000 1.135 62 T CB -0.490 68.406 68.868 0.046 0.000 0.890 62 T HN 0.364 nan 8.240 nan 0.000 0.480 63 I N 1.202 121.811 120.570 0.065 0.000 2.546 63 I HA -0.052 4.118 4.170 -0.000 0.000 0.255 63 I C 2.375 178.554 176.117 0.103 0.000 1.163 63 I CA 0.532 61.877 61.300 0.075 0.000 1.457 63 I CB -0.281 37.752 38.000 0.054 0.000 1.092 63 I HN 0.150 nan 8.210 nan 0.000 0.434 64 V N 1.008 120.983 119.914 0.102 0.000 2.407 64 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 64 V C 2.808 179.008 176.094 0.176 0.000 1.041 64 V CA 1.549 63.931 62.300 0.138 0.000 1.040 64 V CB -0.904 30.984 31.823 0.109 0.000 0.671 64 V HN 0.435 nan 8.190 nan 0.000 0.455 65 A N 0.588 123.490 122.820 0.136 0.000 1.903 65 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 65 A C 2.393 180.061 177.584 0.139 0.000 1.191 65 A CA 2.540 54.658 52.037 0.134 0.000 0.638 65 A CB -0.865 18.193 19.000 0.097 0.000 0.823 65 A HN 0.345 nan 8.150 nan 0.000 0.451 66 V N -1.512 118.482 119.914 0.134 0.000 2.214 66 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 66 V C 2.330 178.517 176.094 0.156 0.000 1.051 66 V CA 2.318 64.695 62.300 0.128 0.000 1.003 66 V CB -1.362 30.538 31.823 0.127 0.000 0.635 66 V HN 0.669 nan 8.190 nan 0.000 0.447 67 Y N 0.812 121.170 120.300 0.096 0.000 2.139 67 Y HA -0.366 4.184 4.550 -0.000 0.000 0.282 67 Y C 2.686 178.649 175.900 0.104 0.000 1.179 67 Y CA 2.385 60.559 58.100 0.124 0.000 1.161 67 Y CB -0.410 38.133 38.460 0.139 0.000 0.970 67 Y HN 0.257 nan 8.280 nan 0.000 0.511 68 Q N 0.120 120.001 119.800 0.134 0.000 2.002 68 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 68 Q C 2.727 178.601 176.000 -0.211 0.000 0.988 68 Q CA 2.681 58.457 55.803 -0.045 0.000 0.843 68 Q CB -0.723 28.087 28.738 0.121 0.000 0.908 68 Q HN 0.636 nan 8.270 nan 0.000 0.420 69 S N 0.047 115.756 115.700 0.014 0.000 2.374 69 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 69 S C 1.897 176.427 174.600 -0.118 0.000 1.037 69 S CA 1.416 59.645 58.200 0.048 0.000 1.024 69 S CB -0.720 62.497 63.200 0.029 0.000 0.861 69 S HN 0.336 nan 8.310 nan 0.000 0.456 70 I N 2.559 123.022 120.570 -0.178 0.000 2.087 70 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 70 I C 2.634 178.557 176.117 -0.323 0.000 1.054 70 I CA 1.474 62.621 61.300 -0.254 0.000 1.311 70 I CB -1.671 36.184 38.000 -0.243 0.000 1.024 70 I HN 0.344 nan 8.210 nan 0.000 0.402 71 L N -0.095 120.899 121.223 -0.383 0.000 1.990 71 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 71 L C 2.718 179.383 176.870 -0.341 0.000 1.072 71 L CA 1.727 56.365 54.840 -0.336 0.000 0.755 71 L CB -0.922 40.936 42.059 -0.335 0.000 0.889 71 L HN 0.082 nan 8.230 nan 0.000 0.432 72 F N -0.329 119.432 119.950 -0.315 0.000 2.236 72 F HA -0.293 4.234 4.527 -0.000 0.000 0.302 72 F C 2.813 178.414 175.800 -0.332 0.000 1.073 72 F CA 1.270 59.048 58.000 -0.370 0.000 1.336 72 F CB -0.181 38.584 39.000 -0.392 0.000 1.040 72 F HN 0.217 nan 8.300 nan 0.000 0.507 73 Q N 0.554 120.203 119.800 -0.252 0.000 2.163 73 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 73 Q C 2.106 177.768 176.000 -0.564 0.000 0.954 73 Q CA 0.728 56.196 55.803 -0.558 0.000 0.851 73 Q CB 0.010 28.248 28.738 -0.833 0.000 0.928 73 Q HN 0.454 nan 8.270 nan 0.000 0.459 74 L N 0.354 121.356 121.223 -0.368 0.000 2.275 74 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 74 L C 1.963 178.807 176.870 -0.043 0.000 1.119 74 L CA 0.526 55.267 54.840 -0.164 0.000 0.790 74 L CB -0.146 41.836 42.059 -0.129 0.000 0.919 74 L HN 0.300 nan 8.230 nan 0.000 0.443 75 L N -0.696 120.495 121.223 -0.054 0.000 2.341 75 L HA 0.161 4.501 4.340 -0.000 0.000 0.214 75 L C 1.146 178.137 176.870 0.202 0.000 1.115 75 L CA 0.425 55.300 54.840 0.059 0.000 0.820 75 L CB -0.312 41.724 42.059 -0.038 0.000 0.944 75 L HN 0.421 nan 8.230 nan 0.000 0.452 76 G N -0.454 108.393 108.800 0.079 0.000 2.655 76 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.680 76 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.680 76 G C -2.415 172.513 174.900 0.047 0.000 1.302 76 G CA -0.501 44.648 45.100 0.081 0.000 0.872 76 G HN -0.059 nan 8.290 nan 0.000 0.540 77 P HA 0.065 nan 4.420 nan 0.000 0.233 77 P C 1.803 179.046 177.300 -0.096 0.000 1.167 77 P CA 2.008 65.090 63.100 -0.031 0.000 0.770 77 P CB 0.023 31.721 31.700 -0.004 0.000 0.837 78 T N -4.778 109.666 114.554 -0.184 0.000 3.148 78 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 78 T C 0.069 174.408 174.700 -0.601 0.000 1.134 78 T CA 0.170 62.027 62.100 -0.405 0.000 1.051 78 T CB -0.710 67.816 68.868 -0.571 0.000 0.959 78 T HN -0.169 nan 8.240 nan 0.000 0.525 79 F N 2.590 122.491 119.950 -0.082 0.000 2.536 79 F HA 0.479 5.006 4.527 -0.000 0.000 0.322 79 F C -2.566 173.120 175.800 -0.189 0.000 1.144 79 F CA -3.105 54.833 58.000 -0.104 0.000 0.924 79 F CB 1.871 40.832 39.000 -0.065 0.000 1.181 79 F HN -0.148 nan 8.300 nan 0.000 0.438 80 P HA 0.191 nan 4.420 nan 0.000 0.276 80 P C -0.408 176.532 177.300 -0.600 0.000 1.243 80 P CA -0.252 62.702 63.100 -0.243 0.000 0.768 80 P CB 1.288 32.876 31.700 -0.187 0.000 0.856 81 A N 2.859 125.217 122.820 -0.770 0.000 3.152 81 A HA 0.253 4.573 4.320 -0.000 0.000 0.280 81 A C 0.566 177.104 177.584 -1.744 0.000 2.009 81 A CA 0.596 51.648 52.037 -1.642 0.000 1.494 81 A CB -1.474 17.057 19.000 -0.782 0.000 0.941 81 A HN 0.518 nan 8.150 nan 0.000 0.601 82 S N -0.115 114.492 115.700 -1.820 0.000 2.482 82 S HA 0.218 4.688 4.470 -0.000 0.000 0.295 82 S C 0.172 174.606 174.600 -0.276 0.000 1.038 82 S CA -0.699 57.057 58.200 -0.740 0.000 0.968 82 S CB -0.256 62.717 63.200 -0.378 0.000 1.182 82 S HN 0.560 nan 8.310 nan 0.000 0.441 83 W N 2.731 124.189 121.300 0.263 0.000 2.335 83 W HA -0.115 4.545 4.660 -0.000 0.000 0.311 83 W C 2.444 179.003 176.519 0.068 0.000 1.213 83 W CA 1.604 59.081 57.345 0.221 0.000 1.274 83 W CB -0.630 28.947 29.460 0.194 0.000 1.148 83 W HN 0.625 nan 8.180 nan 0.000 0.498 84 T N -0.126 114.582 114.554 0.256 0.000 2.803 84 T HA -0.273 4.077 4.350 -0.000 0.000 0.269 84 T C 1.469 176.157 174.700 -0.021 0.000 1.052 84 T CA 1.848 64.007 62.100 0.099 0.000 1.136 84 T CB -0.262 68.649 68.868 0.071 0.000 0.864 84 T HN 0.299 nan 8.240 nan 0.000 0.467 85 E N 0.373 120.549 120.200 -0.040 0.000 2.060 85 E HA 0.005 4.355 4.350 -0.000 0.000 0.189 85 E C 2.195 178.769 176.600 -0.043 0.000 0.974 85 E CA 0.435 56.779 56.400 -0.094 0.000 0.808 85 E CB -0.108 29.513 29.700 -0.133 0.000 0.768 85 E HN 0.436 nan 8.360 nan 0.000 0.453 86 I N 0.927 121.503 120.570 0.010 0.000 2.315 86 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 86 I C 2.382 178.561 176.117 0.104 0.000 1.125 86 I CA 1.327 62.685 61.300 0.097 0.000 1.392 86 I CB -0.425 37.693 38.000 0.196 0.000 1.065 86 I HN 0.249 nan 8.210 nan 0.000 0.424 87 G N 0.221 109.072 108.800 0.084 0.000 2.395 87 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 87 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 87 G C 1.671 176.567 174.900 -0.007 0.000 1.177 87 G CA 0.551 45.678 45.100 0.046 0.000 0.794 87 G HN 0.472 nan 8.290 nan 0.000 0.532 88 A N 0.678 123.441 122.820 -0.095 0.000 2.255 88 A HA 0.237 4.557 4.320 -0.000 0.000 0.206 88 A C 2.232 179.791 177.584 -0.040 0.000 1.193 88 A CA 1.902 53.842 52.037 -0.161 0.000 0.794 88 A CB -0.604 18.112 19.000 -0.474 0.000 0.794 88 A HN 0.464 nan 8.150 nan 0.000 0.481 89 T N -3.829 110.729 114.554 0.006 0.000 3.040 89 T HA 0.328 4.678 4.350 -0.000 0.000 0.250 89 T C 0.745 175.497 174.700 0.086 0.000 1.058 89 T CA -0.283 61.837 62.100 0.032 0.000 0.988 89 T CB -0.503 68.372 68.868 0.011 0.000 0.993 89 T HN 0.291 nan 8.240 nan 0.000 0.519 90 M N 3.743 123.409 119.600 0.110 0.000 2.243 90 M HA 0.128 4.608 4.480 -0.000 0.000 0.365 90 M C -2.029 174.436 176.300 0.275 0.000 1.327 90 M CA -0.830 54.549 55.300 0.133 0.000 0.918 90 M CB 0.074 32.666 32.600 -0.013 0.000 1.894 90 M HN 0.131 nan 8.290 nan 0.000 0.473 91 P HA 0.082 nan 4.420 nan 0.000 0.278 91 P C -0.268 177.301 177.300 0.448 0.000 1.238 91 P CA -0.030 63.203 63.100 0.221 0.000 0.794 91 P CB 0.387 32.157 31.700 0.116 0.000 0.955 92 H N 1.445 120.655 119.070 0.232 0.000 2.390 92 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 92 H C 1.877 177.383 175.328 0.296 0.000 1.106 92 H CA 1.342 57.519 56.048 0.215 0.000 1.297 92 H CB -0.097 29.668 29.762 0.005 0.000 1.375 92 H HN 0.569 nan 8.280 nan 0.000 0.509 93 N N 1.746 120.623 118.700 0.295 0.000 2.513 93 N HA -0.182 4.558 4.740 -0.000 0.000 0.187 93 N C 0.819 176.429 175.510 0.166 0.000 1.056 93 N CA 1.032 54.188 53.050 0.178 0.000 0.907 93 N CB -0.220 38.325 38.487 0.096 0.000 0.954 93 N HN 0.540 nan 8.380 nan 0.000 0.445 94 E N -0.866 119.465 120.200 0.218 0.000 2.451 94 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 94 E C -0.697 175.885 176.600 -0.029 0.000 1.027 94 E CA -0.305 56.143 56.400 0.080 0.000 0.914 94 E CB 0.214 29.935 29.700 0.034 0.000 1.054 94 E HN 0.330 nan 8.360 nan 0.000 0.461 95 Y N -1.112 119.211 120.300 0.038 0.000 2.534 95 Y HA 0.149 4.699 4.550 -0.000 0.000 0.329 95 Y C 1.754 177.628 175.900 -0.043 0.000 1.154 95 Y CA -0.628 57.481 58.100 0.016 0.000 1.192 95 Y CB 1.134 39.622 38.460 0.047 0.000 1.275 95 Y HN -0.208 nan 8.280 nan 0.000 0.491 96 T N 0.650 115.237 114.554 0.055 0.000 2.995 96 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 96 T C -0.258 174.052 174.700 -0.651 0.000 1.091 96 T CA 1.280 63.198 62.100 -0.303 0.000 1.128 96 T CB -0.324 68.344 68.868 -0.333 0.000 0.891 96 T HN 0.302 nan 8.240 nan 0.000 0.492 97 F N 1.137 121.215 119.950 0.214 0.000 2.710 97 F HA 0.324 4.851 4.527 -0.000 0.000 0.345 97 F C -1.952 173.917 175.800 0.114 0.000 1.362 97 F CA -2.769 55.347 58.000 0.193 0.000 1.175 97 F CB 1.358 40.515 39.000 0.261 0.000 1.561 97 F HN -0.112 nan 8.300 nan 0.000 0.593 98 P HA -0.159 nan 4.420 nan 0.000 0.226 98 P C 0.902 178.169 177.300 -0.055 0.000 1.146 98 P CA 1.219 64.360 63.100 0.068 0.000 0.773 98 P CB 0.247 32.011 31.700 0.107 0.000 0.772 99 R N -1.862 118.574 120.500 -0.107 0.000 2.334 99 R HA 0.204 4.544 4.340 -0.000 0.000 0.216 99 R C 0.078 175.946 176.300 -0.720 0.000 0.905 99 R CA 0.182 56.042 56.100 -0.400 0.000 1.064 99 R CB 0.081 30.073 30.300 -0.514 0.000 1.046 99 R HN 0.145 nan 8.270 nan 0.000 0.508 100 F N 0.528 120.472 119.950 -0.009 0.000 2.584 100 F HA 0.329 4.856 4.527 -0.000 0.000 0.328 100 F C -0.642 175.089 175.800 -0.116 0.000 1.407 100 F CA -1.168 56.801 58.000 -0.052 0.000 1.145 100 F CB 0.585 39.560 39.000 -0.042 0.000 1.440 100 F HN -0.223 nan 8.300 nan 0.000 0.580 101 I N 1.066 121.551 120.570 -0.141 0.000 2.325 101 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 101 I C 0.439 176.459 176.117 -0.162 0.000 1.019 101 I CA 0.188 61.297 61.300 -0.319 0.000 1.302 101 I CB 1.007 38.548 38.000 -0.765 0.000 1.401 101 I HN 0.170 nan 8.210 nan 0.000 0.485 102 S N 5.360 121.009 115.700 -0.085 0.000 2.578 102 S HA 0.481 4.951 4.470 -0.000 0.000 0.301 102 S C -0.155 174.450 174.600 0.007 0.000 1.091 102 S CA -0.863 57.320 58.200 -0.028 0.000 1.032 102 S CB 1.145 64.339 63.200 -0.011 0.000 1.064 102 S HN 0.490 nan 8.310 nan 0.000 0.508 103 N N 3.638 122.353 118.700 0.025 0.000 3.105 103 N HA 0.237 4.977 4.740 -0.000 0.000 0.256 103 N C -2.462 173.028 175.510 -0.034 0.000 1.174 103 N CA -1.058 52.045 53.050 0.088 0.000 1.030 103 N CB 0.238 38.786 38.487 0.102 0.000 1.305 103 N HN 0.451 nan 8.380 nan 0.000 0.509 104 P HA 0.007 nan 4.420 nan 0.000 0.267 104 P C -1.515 175.523 177.300 -0.436 0.000 1.195 104 P CA -0.600 62.314 63.100 -0.310 0.000 0.773 104 P CB 0.710 32.182 31.700 -0.381 0.000 0.837 105 P HA -0.154 nan 4.420 nan 0.000 0.208 105 P C 0.562 177.654 177.300 -0.347 0.000 1.195 105 P CA 1.488 64.448 63.100 -0.232 0.000 0.927 105 P CB 0.102 31.715 31.700 -0.145 0.000 0.778 106 Q N -1.340 118.255 119.800 -0.340 0.000 2.237 106 Q HA 0.475 4.815 4.340 -0.000 0.000 0.219 106 Q C -0.789 174.886 176.000 -0.542 0.000 0.999 106 Q CA -0.220 55.405 55.803 -0.297 0.000 0.959 106 Q CB 0.548 29.194 28.738 -0.153 0.000 1.173 106 Q HN 0.091 nan 8.270 nan 0.000 0.527 107 F N 0.191 120.131 119.950 -0.017 0.000 2.745 107 F HA 0.369 4.896 4.527 -0.000 0.000 0.343 107 F C -0.146 175.641 175.800 -0.022 0.000 1.196 107 F CA -0.914 57.079 58.000 -0.010 0.000 1.021 107 F CB 1.031 40.035 39.000 0.008 0.000 1.297 107 F HN 0.634 nan 8.300 nan 0.000 0.486 108 A N 1.899 124.792 122.820 0.120 0.000 2.632 108 A HA 0.311 4.631 4.320 -0.000 0.000 0.229 108 A C 0.337 177.955 177.584 0.057 0.000 1.047 108 A CA 0.546 52.606 52.037 0.039 0.000 0.754 108 A CB -0.136 18.863 19.000 -0.001 0.000 0.969 108 A HN 0.633 nan 8.150 nan 0.000 0.509 109 T N 2.710 117.270 114.554 0.010 0.000 2.779 109 T HA 0.563 4.913 4.350 -0.000 0.000 0.280 109 T C -0.198 174.485 174.700 -0.028 0.000 0.987 109 T CA -0.212 61.903 62.100 0.025 0.000 0.966 109 T CB 0.495 69.373 68.868 0.017 0.000 0.933 109 T HN 0.742 nan 8.240 nan 0.000 0.442 110 L N 0.475 121.674 121.223 -0.040 0.000 2.381 110 L HA 1.058 5.398 4.340 -0.000 0.000 0.268 110 L C -0.836 175.832 176.870 -0.337 0.000 0.997 110 L CA -1.408 53.270 54.840 -0.270 0.000 0.818 110 L CB 1.957 43.728 42.059 -0.481 0.000 1.310 110 L HN 0.641 nan 8.230 nan 0.000 0.416 111 A N 2.297 124.829 122.820 -0.480 0.000 2.375 111 A HA 0.801 5.121 4.320 -0.000 0.000 0.295 111 A C -1.393 175.939 177.584 -0.420 0.000 1.066 111 A CA -0.279 51.581 52.037 -0.296 0.000 0.722 111 A CB 0.886 19.886 19.000 0.001 0.000 1.206 111 A HN 0.546 nan 8.150 nan 0.000 0.435 112 F N 2.127 122.072 119.950 -0.008 0.000 2.408 112 F HA 0.632 5.159 4.527 -0.000 0.000 0.344 112 F C 0.257 176.263 175.800 0.343 0.000 1.112 112 F CA -0.533 57.512 58.000 0.075 0.000 1.096 112 F CB 1.302 40.182 39.000 -0.200 0.000 1.129 112 F HN 0.358 nan 8.300 nan 0.000 0.486 113 L N 4.227 125.742 121.223 0.486 0.000 2.341 113 L HA 0.566 4.906 4.340 -0.000 0.000 0.267 113 L C -2.567 174.400 176.870 0.162 0.000 1.009 113 L CA -2.309 52.647 54.840 0.194 0.000 0.819 113 L CB 2.490 44.562 42.059 0.022 0.000 1.323 113 L HN 0.306 nan 8.230 nan 0.000 0.425 114 P HA 0.377 nan 4.420 nan 0.000 0.279 114 P C -1.201 175.912 177.300 -0.312 0.000 1.239 114 P CA -0.160 62.668 63.100 -0.454 0.000 0.789 114 P CB 0.830 32.238 31.700 -0.487 0.000 0.933 115 L N 2.709 123.731 121.223 -0.336 0.000 2.431 115 L HA 0.365 4.705 4.340 -0.000 0.000 0.266 115 L C 1.241 178.017 176.870 -0.157 0.000 0.978 115 L CA -0.720 54.013 54.840 -0.179 0.000 0.822 115 L CB 2.188 44.201 42.059 -0.076 0.000 1.310 115 L HN 0.277 nan 8.230 nan 0.000 0.409 116 L N 0.527 121.675 121.223 -0.125 0.000 2.127 116 L HA 0.095 4.435 4.340 -0.000 0.000 0.203 116 L C 0.725 177.553 176.870 -0.070 0.000 1.080 116 L CA 0.689 55.473 54.840 -0.092 0.000 0.768 116 L CB -0.229 41.775 42.059 -0.092 0.000 0.924 116 L HN 0.708 nan 8.230 nan 0.000 0.444 117 S N -2.172 113.441 115.700 -0.146 0.000 2.564 117 S HA 0.405 4.875 4.470 -0.000 0.000 0.274 117 S C -2.225 172.174 174.600 -0.334 0.000 1.124 117 S CA -1.245 56.796 58.200 -0.265 0.000 0.869 117 S CB 1.843 64.943 63.200 -0.167 0.000 1.105 117 S HN -0.178 nan 8.310 nan 0.000 0.472 118 P HA -0.102 nan 4.420 nan 0.000 0.226 118 P C 1.194 178.403 177.300 -0.152 0.000 1.146 118 P CA 1.461 64.376 63.100 -0.309 0.000 0.773 118 P CB -0.374 31.145 31.700 -0.301 0.000 0.772 119 T N -4.140 110.329 114.554 -0.141 0.000 3.023 119 T HA 0.048 4.398 4.350 -0.000 0.000 0.249 119 T C 1.061 175.716 174.700 -0.075 0.000 1.050 119 T CA 0.115 62.162 62.100 -0.089 0.000 1.088 119 T CB -0.934 67.886 68.868 -0.080 0.000 0.946 119 T HN 0.183 nan 8.240 nan 0.000 0.480 120 S N 3.936 119.583 115.700 -0.088 0.000 2.573 120 S HA 0.226 4.696 4.470 -0.000 0.000 0.297 120 S C -1.727 172.838 174.600 -0.058 0.000 1.280 120 S CA -1.023 57.133 58.200 -0.073 0.000 1.061 120 S CB -0.218 62.931 63.200 -0.085 0.000 0.812 120 S HN 0.475 nan 8.310 nan 0.000 0.500 121 P HA 0.287 nan 4.420 nan 0.000 0.286 121 P C -0.663 176.613 177.300 -0.041 0.000 1.293 121 P CA -0.827 62.250 63.100 -0.039 0.000 0.770 121 P CB 0.396 32.076 31.700 -0.034 0.000 1.206 122 L N 0.901 122.104 121.223 -0.033 0.000 2.260 122 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 122 L C -0.387 176.461 176.870 -0.037 0.000 1.057 122 L CA 0.167 54.986 54.840 -0.035 0.000 0.811 122 L CB -0.377 41.668 42.059 -0.023 0.000 1.184 122 L HN 0.215 nan 8.230 nan 0.000 0.429 123 D N 4.867 125.237 120.400 -0.050 0.000 2.414 123 D HA 0.172 4.812 4.640 -0.000 0.000 0.232 123 D C 0.742 177.013 176.300 -0.047 0.000 1.070 123 D CA -0.228 53.745 54.000 -0.045 0.000 0.839 123 D CB 1.296 42.065 40.800 -0.051 0.000 1.079 123 D HN 0.681 nan 8.370 nan 0.000 0.521 124 L N 3.295 124.500 121.223 -0.030 0.000 2.478 124 L HA 0.101 4.441 4.340 -0.000 0.000 0.223 124 L C 2.390 179.252 176.870 -0.013 0.000 1.140 124 L CA 0.268 55.096 54.840 -0.020 0.000 0.842 124 L CB 0.080 42.136 42.059 -0.006 0.000 0.953 124 L HN 0.297 nan 8.230 nan 0.000 0.452 125 R N 0.091 120.581 120.500 -0.016 0.000 2.189 125 R HA 0.039 4.378 4.340 -0.000 0.000 0.203 125 R C 2.178 178.470 176.300 -0.013 0.000 1.012 125 R CA 0.865 56.961 56.100 -0.008 0.000 1.015 125 R CB 0.072 30.368 30.300 -0.007 0.000 0.938 125 R HN 0.255 nan 8.270 nan 0.000 0.472 126 A N 1.107 123.907 122.820 -0.033 0.000 2.125 126 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 126 A C 2.010 179.565 177.584 -0.049 0.000 1.156 126 A CA 0.762 52.771 52.037 -0.046 0.000 0.671 126 A CB -0.297 18.659 19.000 -0.073 0.000 0.794 126 A HN 0.284 nan 8.150 nan 0.000 0.459 127 L N -1.240 119.955 121.223 -0.047 0.000 2.072 127 L HA -0.167 4.173 4.340 -0.000 0.000 0.205 127 L C 2.770 179.670 176.870 0.051 0.000 1.079 127 L CA 0.818 55.641 54.840 -0.029 0.000 0.752 127 L CB -0.460 41.582 42.059 -0.028 0.000 0.906 127 L HN 0.332 nan 8.230 nan 0.000 0.436 128 M N -0.408 119.218 119.600 0.043 0.000 2.180 128 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 128 M C 2.440 178.781 176.300 0.067 0.000 1.071 128 M CA 1.647 56.982 55.300 0.060 0.000 1.096 128 M CB -1.259 31.366 32.600 0.041 0.000 1.276 128 M HN 0.044 nan 8.290 nan 0.000 0.426 129 V N 0.612 120.552 119.914 0.044 0.000 2.252 129 V HA -0.381 3.739 4.120 -0.000 0.000 0.255 129 V C 2.465 178.603 176.094 0.073 0.000 1.071 129 V CA 2.649 64.977 62.300 0.045 0.000 1.050 129 V CB -1.561 30.275 31.823 0.022 0.000 0.654 129 V HN 0.556 nan 8.190 nan 0.000 0.448 130 T N 0.159 114.759 114.554 0.077 0.000 2.622 130 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 130 T C 2.025 176.859 174.700 0.224 0.000 1.047 130 T CA 1.981 64.160 62.100 0.132 0.000 1.159 130 T CB -0.617 68.320 68.868 0.114 0.000 0.863 130 T HN 0.636 nan 8.240 nan 0.000 0.422 131 A N 1.360 124.314 122.820 0.222 0.000 1.940 131 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 131 A C 2.303 179.980 177.584 0.156 0.000 1.176 131 A CA 1.740 53.907 52.037 0.216 0.000 0.631 131 A CB -0.706 18.407 19.000 0.188 0.000 0.814 131 A HN 0.625 nan 8.150 nan 0.000 0.446 132 Q N -0.195 119.679 119.800 0.123 0.000 2.002 132 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 132 Q C 2.128 178.191 176.000 0.105 0.000 0.988 132 Q CA 1.576 57.436 55.803 0.095 0.000 0.843 132 Q CB -0.498 28.284 28.738 0.074 0.000 0.908 132 Q HN 0.679 nan 8.270 nan 0.000 0.420 133 L N 0.027 121.323 121.223 0.121 0.000 2.010 133 L HA -0.293 4.047 4.340 -0.000 0.000 0.219 133 L C 2.666 179.622 176.870 0.142 0.000 1.077 133 L CA 1.143 56.061 54.840 0.130 0.000 0.773 133 L CB -0.707 41.448 42.059 0.160 0.000 0.892 133 L HN 0.394 nan 8.230 nan 0.000 0.436 134 M N -0.560 119.151 119.600 0.185 0.000 2.073 134 M HA -0.290 4.190 4.480 -0.000 0.000 0.258 134 M C 2.624 178.984 176.300 0.099 0.000 1.070 134 M CA 1.979 57.362 55.300 0.138 0.000 1.103 134 M CB -1.421 31.259 32.600 0.135 0.000 1.321 134 M HN 0.541 nan 8.290 nan 0.000 0.405 135 C N 1.090 120.448 119.300 0.096 0.000 2.401 135 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 135 C C 1.501 176.530 174.990 0.066 0.000 1.233 135 C CA 0.993 60.057 59.018 0.077 0.000 1.753 135 C CB -1.078 26.704 27.740 0.071 0.000 2.029 135 C HN 0.395 nan 8.230 nan 0.000 0.478 136 D N 0.862 121.301 120.400 0.065 0.000 3.134 136 D HA 0.327 4.966 4.640 -0.000 0.000 0.248 136 D C -0.053 176.276 176.300 0.048 0.000 1.273 136 D CA 0.292 54.323 54.000 0.050 0.000 0.904 136 D CB 0.169 40.997 40.800 0.046 0.000 1.089 136 D HN 0.560 nan 8.370 nan 0.000 0.478 137 A N 1.547 124.396 122.820 0.048 0.000 2.260 137 A HA 0.242 4.562 4.320 -0.000 0.000 0.312 137 A C 0.800 178.391 177.584 0.012 0.000 1.321 137 A CA -0.509 51.551 52.037 0.037 0.000 0.928 137 A CB 0.940 19.966 19.000 0.043 0.000 1.158 137 A HN 0.050 nan 8.150 nan 0.000 0.542 138 K N 0.679 121.083 120.400 0.006 0.000 2.143 138 K HA 0.237 4.556 4.320 -0.000 0.000 0.239 138 K C -0.036 176.545 176.600 -0.032 0.000 1.048 138 K CA -0.214 56.067 56.287 -0.010 0.000 0.867 138 K CB 0.308 32.805 32.500 -0.006 0.000 1.088 138 K HN 0.604 nan 8.250 nan 0.000 0.510 139 R N 1.050 121.523 120.500 -0.044 0.000 2.460 139 R HA 0.171 4.511 4.340 -0.000 0.000 0.303 139 R C 1.158 177.422 176.300 -0.060 0.000 0.968 139 R CA -0.085 55.973 56.100 -0.070 0.000 0.889 139 R CB 0.510 30.762 30.300 -0.080 0.000 1.123 139 R HN 0.538 nan 8.270 nan 0.000 0.455 140 L N 1.160 122.341 121.223 -0.069 0.000 2.211 140 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 140 L C 1.362 178.202 176.870 -0.050 0.000 1.092 140 L CA 1.952 56.759 54.840 -0.055 0.000 0.767 140 L CB -0.506 41.513 42.059 -0.066 0.000 0.894 140 L HN 0.689 nan 8.230 nan 0.000 0.437 141 S N -2.830 112.834 115.700 -0.060 0.000 2.754 141 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 141 S C 0.792 175.368 174.600 -0.039 0.000 0.951 141 S CA 0.276 58.445 58.200 -0.052 0.000 0.954 141 S CB 0.036 63.197 63.200 -0.064 0.000 0.780 141 S HN 0.347 nan 8.310 nan 0.000 0.509 142 D N 0.906 121.287 120.400 -0.033 0.000 2.454 142 D HA 0.247 4.887 4.640 -0.000 0.000 0.219 142 D C 0.657 176.947 176.300 -0.016 0.000 1.081 142 D CA 0.317 54.303 54.000 -0.023 0.000 0.867 142 D CB 0.544 41.331 40.800 -0.021 0.000 1.054 142 D HN 0.567 nan 8.370 nan 0.000 0.500 151 S N 0.147 115.858 115.700 0.019 0.000 2.584 151 S HA 0.173 4.642 4.470 -0.000 0.000 0.240 151 S C 1.465 176.088 174.600 0.038 0.000 0.975 151 S CA 0.764 58.981 58.200 0.030 0.000 0.949 151 S CB -0.289 62.926 63.200 0.025 0.000 0.761 151 S HN 0.570 nan 8.310 nan 0.000 0.536 152 A N 1.361 124.196 122.820 0.026 0.000 2.197 152 A HA 0.325 4.645 4.320 -0.000 0.000 0.210 152 A C 2.076 179.693 177.584 0.055 0.000 1.180 152 A CA 0.471 52.522 52.037 0.023 0.000 0.846 152 A CB -0.210 18.788 19.000 -0.005 0.000 0.884 152 A HN 0.654 nan 8.150 nan 0.000 0.487 153 S N -0.651 115.079 115.700 0.050 0.000 2.535 153 S HA 0.248 4.718 4.470 -0.000 0.000 0.214 153 S C 1.253 175.888 174.600 0.058 0.000 0.980 153 S CA 0.228 58.458 58.200 0.049 0.000 0.907 153 S CB -0.221 62.998 63.200 0.032 0.000 0.790 153 S HN 0.392 nan 8.310 nan 0.000 0.510 154 L N 0.053 121.317 121.223 0.069 0.000 2.575 154 L HA 0.348 4.688 4.340 -0.000 0.000 0.228 154 L C 0.797 177.712 176.870 0.074 0.000 1.075 154 L CA -0.269 54.606 54.840 0.058 0.000 0.867 154 L CB -0.517 41.566 42.059 0.039 0.000 1.097 154 L HN 0.294 nan 8.230 nan 0.000 0.485 155 H N 1.260 120.336 119.070 0.010 0.000 3.187 155 H HA 0.207 4.763 4.556 -0.000 0.000 0.286 155 H C 1.191 176.529 175.328 0.018 0.000 0.944 155 H CA 1.038 57.093 56.048 0.011 0.000 1.429 155 H CB 0.322 30.089 29.762 0.009 0.000 1.483 155 H HN 0.332 nan 8.280 nan 0.000 0.555 156 G N 4.149 112.737 108.800 -0.354 0.000 2.241 156 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 156 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 156 G C 0.488 175.344 174.900 -0.073 0.000 0.998 156 G CA 0.101 45.061 45.100 -0.233 0.000 0.621 156 G HN 0.724 nan 8.290 nan 0.000 0.519 157 R N 0.446 120.929 120.500 -0.028 0.000 2.543 157 R HA 0.517 4.857 4.340 -0.000 0.000 0.277 157 R C 0.795 177.110 176.300 0.026 0.000 1.074 157 R CA -0.219 55.892 56.100 0.017 0.000 1.076 157 R CB 0.367 30.686 30.300 0.031 0.000 0.993 157 R HN 0.178 nan 8.270 nan 0.000 0.459 158 M N 1.640 121.276 119.600 0.059 0.000 2.247 158 M HA 0.364 4.844 4.480 -0.000 0.000 0.326 158 M C -0.227 176.114 176.300 0.068 0.000 1.134 158 M CA -0.393 54.951 55.300 0.075 0.000 1.136 158 M CB 1.322 33.988 32.600 0.109 0.000 1.454 158 M HN 0.444 nan 8.290 nan 0.000 0.467 159 V N 0.743 120.702 119.914 0.075 0.000 2.971 159 V HA 0.736 4.856 4.120 -0.000 0.000 0.281 159 V C -1.773 174.373 176.094 0.087 0.000 1.470 159 V CA -0.591 61.736 62.300 0.045 0.000 0.966 159 V CB 1.784 33.608 31.823 0.002 0.000 1.156 159 V HN 1.101 nan 8.190 nan 0.000 0.441 160 A N 3.695 126.534 122.820 0.033 0.000 2.309 160 A HA 0.988 5.308 4.320 -0.000 0.000 0.317 160 A C 0.105 177.597 177.584 -0.153 0.000 1.134 160 A CA -0.106 51.964 52.037 0.056 0.000 0.866 160 A CB 1.888 20.976 19.000 0.146 0.000 1.329 160 A HN 1.822 nan 8.150 nan 0.000 0.477 161 T N -0.518 113.948 114.554 -0.148 0.000 3.154 161 T HA 0.444 4.793 4.350 -0.000 0.000 0.381 161 T C -1.863 172.520 174.700 -0.529 0.000 1.368 161 T CA -1.475 60.443 62.100 -0.303 0.000 1.155 161 T CB 0.952 69.730 68.868 -0.150 0.000 1.120 161 T HN 0.402 nan 8.240 nan 0.000 0.570 162 P HA -0.210 nan 4.420 nan 0.000 0.215 162 P C 0.951 177.946 177.300 -0.508 0.000 1.163 162 P CA 1.541 63.814 63.100 -1.379 0.000 0.894 162 P CB 0.329 31.341 31.700 -1.147 0.000 0.791 163 E N -1.020 118.976 120.200 -0.340 0.000 2.478 163 E HA -0.004 4.346 4.350 -0.000 0.000 0.198 163 E C 0.739 177.248 176.600 -0.151 0.000 1.046 163 E CA 0.546 56.836 56.400 -0.184 0.000 0.870 163 E CB -0.353 29.232 29.700 -0.191 0.000 0.818 163 E HN 0.310 nan 8.360 nan 0.000 0.527 164 I N 0.456 120.914 120.570 -0.187 0.000 2.886 164 I HA 0.140 4.310 4.170 -0.000 0.000 0.311 164 I C -0.040 176.091 176.117 0.023 0.000 1.287 164 I CA -0.242 60.985 61.300 -0.121 0.000 0.995 164 I CB -0.480 37.405 38.000 -0.192 0.000 1.962 164 I HN -0.108 nan 8.210 nan 0.000 0.586 165 S N 1.335 117.091 115.700 0.092 0.000 3.257 165 S HA -0.247 4.223 4.470 -0.000 0.000 0.300 165 S C 0.583 175.354 174.600 0.285 0.000 1.275 165 S CA 1.176 59.478 58.200 0.171 0.000 1.023 165 S CB -1.821 61.455 63.200 0.127 0.000 1.180 165 S HN 0.750 nan 8.310 nan 0.000 0.660 166 W N 0.541 121.849 121.300 0.014 0.000 4.233 166 W HA -0.285 4.375 4.660 -0.000 0.000 0.328 166 W C 0.543 177.078 176.519 0.027 0.000 1.212 166 W CA 0.694 58.045 57.345 0.011 0.000 0.752 166 W CB -2.279 27.177 29.460 -0.007 0.000 2.277 166 W HN 0.445 nan 8.180 nan 0.000 1.465 167 S N 0.725 116.538 115.700 0.190 0.000 2.554 167 S HA 0.271 4.741 4.470 -0.000 0.000 0.290 167 S C 0.523 175.180 174.600 0.096 0.000 1.309 167 S CA -0.132 58.122 58.200 0.091 0.000 1.047 167 S CB 0.393 63.627 63.200 0.056 0.000 0.828 167 S HN 0.170 nan 8.310 nan 0.000 0.509 168 L N 2.635 123.812 121.223 -0.075 0.000 2.334 168 L HA 0.659 4.999 4.340 -0.000 0.000 0.275 168 L C -0.974 175.766 176.870 -0.217 0.000 1.036 168 L CA -0.744 54.092 54.840 -0.007 0.000 0.807 168 L CB 0.667 42.734 42.059 0.013 0.000 1.231 168 L HN 0.609 nan 8.230 nan 0.000 0.438 169 Y N 0.331 120.634 120.300 0.005 0.000 2.625 169 Y HA 0.525 5.075 4.550 0.000 0.000 0.338 169 Y C -0.533 175.358 175.900 -0.015 0.000 1.123 169 Y CA -0.947 57.148 58.100 -0.009 0.000 1.046 169 Y CB 2.153 40.599 38.460 -0.023 0.000 1.299 169 Y HN 0.174 nan 8.280 nan 0.000 0.464 170 V N 2.938 122.938 119.914 0.144 0.000 2.350 170 V HA 0.523 4.643 4.120 -0.000 0.000 0.285 170 V C -0.942 175.158 176.094 0.010 0.000 1.014 170 V CA -0.742 61.587 62.300 0.049 0.000 0.831 170 V CB 0.736 32.563 31.823 0.006 0.000 1.000 170 V HN 0.631 nan 8.190 nan 0.000 0.433 171 V N 8.253 128.163 119.914 -0.006 0.000 2.557 171 V HA 0.019 4.139 4.120 -0.000 0.000 0.301 171 V C 1.209 177.274 176.094 -0.049 0.000 1.026 171 V CA 0.862 63.147 62.300 -0.026 0.000 1.137 171 V CB 1.017 32.833 31.823 -0.012 0.000 0.917 171 V HN 0.887 nan 8.190 nan 0.000 0.484 172 L N 3.967 125.182 121.223 -0.013 0.000 2.609 172 L HA 0.530 4.870 4.340 -0.000 0.000 0.230 172 L C 0.903 177.888 176.870 0.193 0.000 1.087 172 L CA 0.702 55.590 54.840 0.080 0.000 0.874 172 L CB 0.373 42.454 42.059 0.037 0.000 1.114 172 L HN 0.892 nan 8.230 nan 0.000 0.488 173 G N 0.566 109.413 108.800 0.079 0.000 2.312 173 G HA2 0.107 4.067 3.960 -0.000 0.000 0.347 173 G HA3 0.107 4.067 3.960 -0.000 0.000 0.347 173 G C -1.057 173.865 174.900 0.036 0.000 1.564 173 G CA -1.014 44.129 45.100 0.070 0.000 0.981 173 G HN -0.063 nan 8.290 nan 0.000 0.678 174 I N 0.671 121.262 120.570 0.036 0.000 2.471 174 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 174 I C 0.000 176.154 176.117 0.062 0.000 1.079 174 I CA 0.012 61.333 61.300 0.036 0.000 1.398 174 I CB 1.197 39.209 38.000 0.021 0.000 1.403 174 I HN 0.461 nan 8.210 nan 0.000 0.530 175 D N 4.180 124.642 120.400 0.105 0.000 2.518 175 D HA 0.107 4.747 4.640 -0.000 0.000 0.230 175 D C 1.250 177.594 176.300 0.074 0.000 1.138 175 D CA -0.277 53.809 54.000 0.144 0.000 0.964 175 D CB 0.739 41.749 40.800 0.349 0.000 1.011 175 D HN 0.548 nan 8.370 nan 0.000 0.517 176 S N 0.738 116.463 115.700 0.042 0.000 2.500 176 S HA -0.167 4.303 4.470 -0.000 0.000 0.239 176 S C 1.791 176.396 174.600 0.007 0.000 0.989 176 S CA 0.586 58.795 58.200 0.015 0.000 0.951 176 S CB -0.298 62.910 63.200 0.012 0.000 0.759 176 S HN 0.398 nan 8.310 nan 0.000 0.523 177 T N 2.270 116.835 114.554 0.019 0.000 2.869 177 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 177 T C 0.705 175.392 174.700 -0.022 0.000 1.082 177 T CA 1.516 63.620 62.100 0.007 0.000 1.123 177 T CB -0.406 68.474 68.868 0.021 0.000 0.856 177 T HN 0.947 nan 8.240 nan 0.000 0.499 178 Q N -1.789 117.983 119.800 -0.046 0.000 2.630 178 Q HA 0.629 4.969 4.340 -0.000 0.000 0.295 178 Q C -1.454 174.481 176.000 -0.109 0.000 0.944 178 Q CA -1.010 54.742 55.803 -0.084 0.000 0.766 178 Q CB 1.643 30.294 28.738 -0.145 0.000 1.471 178 Q HN -0.067 nan 8.270 nan 0.000 0.416 179 T N -0.416 114.063 114.554 -0.125 0.000 2.901 179 T HA 0.302 4.651 4.350 -0.000 0.000 0.293 179 T C 0.704 175.293 174.700 -0.186 0.000 1.084 179 T CA -0.045 61.978 62.100 -0.128 0.000 1.008 179 T CB 1.764 70.596 68.868 -0.060 0.000 1.170 179 T HN 0.653 nan 8.240 nan 0.000 0.509 180 S N 1.239 116.846 115.700 -0.155 0.000 2.421 180 S HA -0.151 4.319 4.470 -0.000 0.000 0.239 180 S C 1.956 176.578 174.600 0.036 0.000 1.054 180 S CA 1.428 59.576 58.200 -0.086 0.000 1.035 180 S CB -0.431 62.762 63.200 -0.011 0.000 0.840 180 S HN 0.523 nan 8.310 nan 0.000 0.475 181 L N 1.080 122.307 121.223 0.006 0.000 2.291 181 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 181 L C 1.429 178.311 176.870 0.020 0.000 1.120 181 L CA 0.065 54.916 54.840 0.018 0.000 0.799 181 L CB -0.569 41.496 42.059 0.009 0.000 0.925 181 L HN 0.170 nan 8.230 nan 0.000 0.446 182 S N -1.571 114.165 115.700 0.059 0.000 2.737 182 S HA -0.014 4.456 4.470 -0.000 0.000 0.249 182 S C -0.426 174.310 174.600 0.227 0.000 1.415 182 S CA 0.209 58.501 58.200 0.153 0.000 0.967 182 S CB 0.143 63.397 63.200 0.089 0.000 0.937 182 S HN 0.020 nan 8.310 nan 0.000 0.574 183 Y N -0.212 120.209 120.300 0.201 0.000 2.562 183 Y HA 0.635 5.185 4.550 -0.000 0.000 0.343 183 Y C -0.172 175.768 175.900 0.068 0.000 1.025 183 Y CA -0.904 57.212 58.100 0.026 0.000 1.082 183 Y CB 1.443 39.856 38.460 -0.079 0.000 1.264 183 Y HN 0.633 nan 8.280 nan 0.000 0.478 184 F N -1.249 118.739 119.950 0.063 0.000 2.664 184 F HA 0.918 5.445 4.527 -0.000 0.000 0.317 184 F C -0.859 174.919 175.800 -0.037 0.000 1.108 184 F CA -1.070 56.884 58.000 -0.077 0.000 0.957 184 F CB 1.392 40.180 39.000 -0.353 0.000 1.365 184 F HN 0.404 nan 8.300 nan 0.000 0.475 185 T N -1.144 113.557 114.554 0.245 0.000 2.883 185 T HA 0.841 5.191 4.350 -0.000 0.000 0.296 185 T C -1.057 173.732 174.700 0.148 0.000 1.117 185 T CA -1.144 61.016 62.100 0.101 0.000 1.006 185 T CB 2.505 71.387 68.868 0.023 0.000 1.191 185 T HN 0.967 nan 8.240 nan 0.000 0.508 186 R N -0.153 120.387 120.500 0.067 0.000 2.855 186 R HA 0.752 5.092 4.340 -0.000 0.000 0.266 186 R C -0.714 175.595 176.300 0.015 0.000 1.034 186 R CA -1.307 54.821 56.100 0.046 0.000 0.944 186 R CB 1.791 32.118 30.300 0.045 0.000 1.219 186 R HN 0.879 nan 8.270 nan 0.000 0.474 187 A N 2.235 125.061 122.820 0.009 0.000 2.496 187 A HA 0.092 4.412 4.320 -0.000 0.000 0.278 187 A C 0.094 177.676 177.584 -0.004 0.000 1.137 187 A CA 0.118 52.155 52.037 0.001 0.000 0.805 187 A CB -0.626 18.375 19.000 0.001 0.000 1.077 187 A HN 0.850 nan 8.150 nan 0.000 0.513 188 N N 0.528 119.222 118.700 -0.010 0.000 2.921 188 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 188 N C -0.404 175.094 175.510 -0.020 0.000 1.118 188 N CA 1.465 54.506 53.050 -0.015 0.000 0.740 188 N CB -1.181 37.299 38.487 -0.011 0.000 1.091 188 N HN 0.984 nan 8.380 nan 0.000 0.553 189 E N 0.216 120.401 120.200 -0.025 0.000 2.597 189 E HA 0.246 4.596 4.350 -0.000 0.000 0.310 189 E C -1.446 175.117 176.600 -0.061 0.000 0.970 189 E CA -0.394 55.984 56.400 -0.036 0.000 0.819 189 E CB 1.070 30.756 29.700 -0.023 0.000 1.267 189 E HN 0.197 nan 8.360 nan 0.000 0.411 190 S N 4.523 120.171 115.700 -0.087 0.000 2.605 190 S HA 0.785 5.255 4.470 -0.000 0.000 0.308 190 S C -0.395 174.151 174.600 -0.090 0.000 1.113 190 S CA -0.655 57.471 58.200 -0.123 0.000 1.049 190 S CB 0.742 63.855 63.200 -0.146 0.000 1.001 190 S HN 0.434 nan 8.310 nan 0.000 0.480 191 I N 1.897 122.219 120.570 -0.413 0.000 3.042 191 I HA 0.519 4.689 4.170 -0.000 0.000 0.310 191 I C 0.235 175.780 176.117 -0.953 0.000 1.117 191 I CA -1.063 59.916 61.300 -0.535 0.000 1.003 191 I CB 2.724 40.370 38.000 -0.590 0.000 1.228 191 I HN 0.787 nan 8.210 nan 0.000 0.443 192 T N -1.172 112.884 114.554 -0.830 0.000 2.922 192 T HA 0.365 4.715 4.350 -0.000 0.000 0.285 192 T C 0.759 175.407 174.700 -0.088 0.000 1.005 192 T CA -0.212 61.484 62.100 -0.672 0.000 1.061 192 T CB 1.024 69.515 68.868 -0.629 0.000 1.007 192 T HN 0.399 nan 8.240 nan 0.000 0.502 193 Y N 1.237 121.621 120.300 0.140 0.000 2.049 193 Y HA -0.133 4.417 4.550 -0.000 0.000 0.277 193 Y C 2.880 179.004 175.900 0.374 0.000 1.143 193 Y CA 1.921 60.270 58.100 0.416 0.000 1.115 193 Y CB -0.716 37.963 38.460 0.365 0.000 0.975 193 Y HN 0.723 nan 8.280 nan 0.000 0.487 194 M N 0.312 120.157 119.600 0.408 0.000 2.147 194 M HA -0.402 4.078 4.480 -0.000 0.000 0.253 194 M C 2.456 178.893 176.300 0.229 0.000 1.075 194 M CA 2.332 57.797 55.300 0.274 0.000 1.085 194 M CB -0.310 32.374 32.600 0.140 0.000 1.305 194 M HN 0.301 nan 8.290 nan 0.000 0.409 195 R N -0.872 119.716 120.500 0.146 0.000 2.080 195 R HA -0.248 4.092 4.340 -0.000 0.000 0.236 195 R C 2.327 178.714 176.300 0.145 0.000 1.137 195 R CA 2.332 58.495 56.100 0.103 0.000 0.943 195 R CB -0.933 29.376 30.300 0.016 0.000 0.846 195 R HN 0.632 nan 8.270 nan 0.000 0.431 196 Y N 0.669 121.006 120.300 0.063 0.000 2.014 196 Y HA -0.340 4.210 4.550 -0.000 0.000 0.272 196 Y C 1.783 177.686 175.900 0.005 0.000 1.164 196 Y CA 1.938 60.049 58.100 0.018 0.000 1.114 196 Y CB -1.230 37.242 38.460 0.020 0.000 0.961 196 Y HN 0.168 nan 8.280 nan 0.000 0.489 197 Y N 0.040 120.121 120.300 -0.365 0.000 2.256 197 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 197 Y C 2.723 178.500 175.900 -0.204 0.000 1.155 197 Y CA 1.304 59.173 58.100 -0.386 0.000 1.203 197 Y CB -0.828 37.505 38.460 -0.211 0.000 0.980 197 Y HN 0.299 nan 8.280 nan 0.000 0.530 198 A N -0.548 122.293 122.820 0.035 0.000 1.897 198 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 198 A C 2.247 179.818 177.584 -0.022 0.000 1.181 198 A CA 2.044 54.076 52.037 -0.008 0.000 0.620 198 A CB -1.021 18.046 19.000 0.112 0.000 0.821 198 A HN 0.376 nan 8.150 nan 0.000 0.443 199 T N 0.154 114.708 114.554 0.000 0.000 2.732 199 T HA 0.158 4.508 4.350 -0.000 0.000 0.261 199 T C 2.121 176.794 174.700 -0.044 0.000 1.040 199 T CA 1.374 63.479 62.100 0.008 0.000 1.145 199 T CB -0.439 68.465 68.868 0.061 0.000 0.866 199 T HN 0.557 nan 8.240 nan 0.000 0.427 200 A N 2.050 124.798 122.820 -0.121 0.000 2.099 200 A HA -0.044 4.276 4.320 -0.000 0.000 0.206 200 A C 1.921 179.338 177.584 -0.279 0.000 1.464 200 A CA 0.819 52.713 52.037 -0.238 0.000 0.603 200 A CB -1.238 17.522 19.000 -0.401 0.000 1.056 200 A HN 0.576 nan 8.150 nan 0.000 0.492 201 H N 0.314 119.288 119.070 -0.160 0.000 2.539 201 H HA -0.115 4.441 4.556 -0.000 0.000 0.292 201 H C 0.359 175.624 175.328 -0.106 0.000 1.069 201 H CA 1.187 57.177 56.048 -0.096 0.000 1.244 201 H CB -0.368 29.356 29.762 -0.064 0.000 1.365 201 H HN 0.656 nan 8.280 nan 0.000 0.575 202 N N 0.394 119.060 118.700 -0.057 0.000 2.756 202 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 202 N C -0.925 174.429 175.510 -0.260 0.000 1.062 202 N CA 0.394 53.364 53.050 -0.133 0.000 0.696 202 N CB -1.407 37.029 38.487 -0.085 0.000 0.946 202 N HN 0.361 nan 8.380 nan 0.000 0.548 203 I N 1.234 121.662 120.570 -0.237 0.000 2.474 203 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 203 I C 0.064 175.981 176.117 -0.333 0.000 1.005 203 I CA -0.811 60.319 61.300 -0.284 0.000 1.113 203 I CB 1.628 39.550 38.000 -0.131 0.000 1.289 203 I HN 0.047 nan 8.210 nan 0.000 0.436 204 H N 6.580 125.646 119.070 -0.006 0.000 2.685 204 H HA 0.402 4.958 4.556 -0.000 0.000 0.286 204 H C -0.193 175.117 175.328 -0.030 0.000 1.102 204 H CA -0.561 55.483 56.048 -0.007 0.000 1.254 204 H CB 0.820 30.579 29.762 -0.005 0.000 1.397 204 H HN 0.362 nan 8.280 nan 0.000 0.473 205 L N 2.344 123.604 121.223 0.062 0.000 2.483 205 L HA 0.053 4.393 4.340 -0.000 0.000 0.276 205 L C 1.707 178.587 176.870 0.016 0.000 1.213 205 L CA 0.323 55.161 54.840 -0.002 0.000 0.843 205 L CB 0.889 42.943 42.059 -0.010 0.000 1.107 205 L HN 0.518 nan 8.230 nan 0.000 0.487 206 R N 1.645 122.137 120.500 -0.013 0.000 2.167 206 R HA 0.192 4.532 4.340 -0.000 0.000 0.195 206 R C 0.857 177.147 176.300 -0.017 0.000 1.027 206 R CA 0.574 56.668 56.100 -0.009 0.000 1.114 206 R CB 0.241 30.532 30.300 -0.015 0.000 1.075 206 R HN 0.724 nan 8.270 nan 0.000 0.538 207 A N 1.044 123.846 122.820 -0.030 0.000 3.105 207 A HA 0.381 4.701 4.320 -0.000 0.000 0.272 207 A C 1.327 178.893 177.584 -0.030 0.000 1.466 207 A CA 0.204 52.223 52.037 -0.031 0.000 1.101 207 A CB -0.221 18.755 19.000 -0.040 0.000 1.065 207 A HN 0.357 nan 8.150 nan 0.000 0.643 208 A N 0.837 123.646 122.820 -0.017 0.000 2.032 208 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 208 A C 1.508 179.084 177.584 -0.013 0.000 1.165 208 A CA 1.905 53.938 52.037 -0.006 0.000 0.645 208 A CB -0.502 18.506 19.000 0.014 0.000 0.807 208 A HN 0.754 nan 8.150 nan 0.000 0.453 209 D N -1.237 119.154 120.400 -0.016 0.000 2.349 209 D HA 0.185 4.825 4.640 -0.000 0.000 0.224 209 D C 0.434 176.719 176.300 -0.026 0.000 1.029 209 D CA -0.146 53.844 54.000 -0.017 0.000 0.879 209 D CB -0.292 40.501 40.800 -0.011 0.000 0.906 209 D HN 0.410 nan 8.370 nan 0.000 0.528 210 L N 0.509 121.712 121.223 -0.034 0.000 2.426 210 L HA 0.286 4.626 4.340 -0.000 0.000 0.271 210 L C -2.050 174.792 176.870 -0.047 0.000 1.169 210 L CA -2.077 52.740 54.840 -0.038 0.000 0.836 210 L CB 0.706 42.738 42.059 -0.045 0.000 1.112 210 L HN -0.184 nan 8.230 nan 0.000 0.465 211 P HA 0.060 nan 4.420 nan 0.000 0.266 211 P C -0.188 177.090 177.300 -0.037 0.000 1.215 211 P CA -0.026 63.054 63.100 -0.034 0.000 0.763 211 P CB 0.329 32.020 31.700 -0.015 0.000 0.806 212 L N 2.797 123.986 121.223 -0.056 0.000 2.473 212 L HA 0.040 4.380 4.340 -0.000 0.000 0.280 212 L C 0.489 177.384 176.870 0.042 0.000 1.266 212 L CA 0.286 55.106 54.840 -0.034 0.000 0.824 212 L CB 0.033 42.041 42.059 -0.085 0.000 1.091 212 L HN 0.127 nan 8.230 nan 0.000 0.534 213 V N 0.394 120.335 119.914 0.045 0.000 2.495 213 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 213 V C 0.088 176.138 176.094 -0.073 0.000 1.031 213 V CA -0.666 61.630 62.300 -0.007 0.000 0.871 213 V CB 1.554 33.336 31.823 -0.069 0.000 0.988 213 V HN 0.805 nan 8.190 nan 0.000 0.432 214 A N 3.800 126.526 122.820 -0.156 0.000 2.316 214 A HA 0.912 5.232 4.320 -0.000 0.000 0.324 214 A C 0.023 177.451 177.584 -0.260 0.000 1.375 214 A CA -0.036 51.734 52.037 -0.445 0.000 0.882 214 A CB 0.513 19.277 19.000 -0.392 0.000 1.152 214 A HN 1.345 nan 8.150 nan 0.000 0.512 215 A N 1.812 124.487 122.820 -0.241 0.000 2.527 215 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 215 A C -0.951 176.635 177.584 0.004 0.000 1.117 215 A CA -0.522 51.466 52.037 -0.081 0.000 0.723 215 A CB 1.332 20.319 19.000 -0.021 0.000 1.313 215 A HN 1.004 nan 8.150 nan 0.000 0.411 216 V N 1.262 121.212 119.914 0.060 0.000 2.370 216 V HA 0.431 4.551 4.120 -0.000 0.000 0.279 216 V C 0.565 176.722 176.094 0.105 0.000 1.029 216 V CA -0.595 61.753 62.300 0.079 0.000 0.870 216 V CB 1.087 32.931 31.823 0.034 0.000 0.984 216 V HN 0.925 nan 8.190 nan 0.000 0.451 217 R N 2.988 123.531 120.500 0.071 0.000 2.484 217 R HA 0.067 4.407 4.340 -0.000 0.000 0.293 217 R C 1.162 177.361 176.300 -0.168 0.000 1.023 217 R CA -0.185 55.761 56.100 -0.256 0.000 1.037 217 R CB 0.207 30.334 30.300 -0.289 0.000 0.951 217 R HN 0.687 nan 8.270 nan 0.000 0.418 218 L N 4.248 125.349 121.223 -0.203 0.000 2.103 218 L HA -0.316 4.024 4.340 -0.000 0.000 0.215 218 L C 0.977 177.795 176.870 -0.086 0.000 1.080 218 L CA 2.078 56.855 54.840 -0.105 0.000 0.764 218 L CB -0.397 41.601 42.059 -0.101 0.000 0.890 218 L HN 0.813 nan 8.230 nan 0.000 0.435 219 D N -0.353 119.979 120.400 -0.114 0.000 2.088 219 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 219 D C 1.724 178.002 176.300 -0.037 0.000 0.992 219 D CA 1.764 55.715 54.000 -0.082 0.000 0.831 219 D CB -0.545 40.204 40.800 -0.085 0.000 0.973 219 D HN 0.443 nan 8.370 nan 0.000 0.447 220 D N 0.744 121.134 120.400 -0.017 0.000 2.133 220 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 220 D C 2.184 178.550 176.300 0.110 0.000 0.997 220 D CA 0.415 54.442 54.000 0.044 0.000 0.840 220 D CB -0.350 40.474 40.800 0.040 0.000 0.947 220 D HN 0.104 nan 8.370 nan 0.000 0.452 221 L N 0.926 122.195 121.223 0.077 0.000 2.549 221 L HA -0.131 4.209 4.340 -0.000 0.000 0.230 221 L C 1.416 178.299 176.870 0.022 0.000 1.162 221 L CA 1.002 55.914 54.840 0.120 0.000 0.834 221 L CB -0.438 41.655 42.059 0.057 0.000 0.947 221 L HN -0.158 nan 8.230 nan 0.000 0.452 222 K N 0.335 120.711 120.400 -0.041 0.000 2.389 222 K HA -0.345 3.975 4.320 -0.000 0.000 0.213 222 K C 1.398 177.923 176.600 -0.125 0.000 0.693 222 K CA 2.791 59.011 56.287 -0.112 0.000 1.077 222 K CB -0.948 31.437 32.500 -0.192 0.000 0.677 222 K HN 0.713 nan 8.250 nan 0.000 0.793 223 D N -1.258 118.984 120.400 -0.263 0.000 2.514 223 D HA -0.020 4.620 4.640 -0.000 0.000 0.225 223 D C -0.347 175.880 176.300 -0.122 0.000 1.159 223 D CA -0.135 53.770 54.000 -0.159 0.000 0.823 223 D CB -0.198 40.520 40.800 -0.136 0.000 1.097 223 D HN 0.359 nan 8.370 nan 0.000 0.519 224 H N 1.760 120.839 119.070 0.015 0.000 3.038 224 H HA 0.096 4.652 4.556 -0.000 0.000 0.338 224 H C 0.649 175.983 175.328 0.011 0.000 1.041 224 H CA 0.563 56.619 56.048 0.013 0.000 1.394 224 H CB 0.518 30.287 29.762 0.013 0.000 1.357 224 H HN 0.241 nan 8.280 nan 0.000 0.600 225 Q N 1.292 121.175 119.800 0.138 0.000 2.316 225 Q HA 0.444 4.784 4.340 -0.000 0.000 0.215 225 Q C -0.326 175.718 176.000 0.073 0.000 1.020 225 Q CA -0.654 55.196 55.803 0.079 0.000 0.970 225 Q CB 0.559 29.334 28.738 0.061 0.000 1.187 225 Q HN 0.389 nan 8.270 nan 0.000 0.546 226 I N 1.522 122.123 120.570 0.051 0.000 2.336 226 I HA 0.346 4.515 4.170 -0.000 0.000 0.292 226 I C -1.993 174.186 176.117 0.104 0.000 0.991 226 I CA -2.014 59.314 61.300 0.046 0.000 1.227 226 I CB 0.568 38.547 38.000 -0.034 0.000 1.366 226 I HN 0.549 nan 8.210 nan 0.000 0.466 227 P HA 0.267 nan 4.420 nan 0.000 0.281 227 P C -0.565 176.846 177.300 0.185 0.000 1.274 227 P CA -0.417 62.756 63.100 0.122 0.000 0.794 227 P CB 0.391 32.148 31.700 0.095 0.000 1.201 228 A N -0.091 122.770 122.820 0.067 0.000 2.239 228 A HA 0.483 4.803 4.320 -0.000 0.000 0.303 228 A C -2.158 175.295 177.584 -0.219 0.000 1.114 228 A CA -1.511 50.502 52.037 -0.041 0.000 0.871 228 A CB -1.196 17.782 19.000 -0.037 0.000 1.201 228 A HN 0.365 nan 8.150 nan 0.000 0.506 229 P HA 0.147 nan 4.420 nan 0.000 0.231 229 P C 0.422 177.633 177.300 -0.148 0.000 1.210 229 P CA 1.914 64.784 63.100 -0.383 0.000 1.332 229 P CB -0.658 30.883 31.700 -0.265 0.000 1.594 230 G N 2.754 111.507 108.800 -0.078 0.000 2.220 230 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 230 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 230 G C 0.553 175.448 174.900 -0.009 0.000 0.791 230 G CA 0.141 45.236 45.100 -0.008 0.000 1.197 230 G HN 0.572 nan 8.290 nan 0.000 0.336 234 D N 0.264 120.671 120.400 0.013 0.000 2.108 234 D HA -0.099 4.541 4.640 -0.000 0.000 0.190 234 D C 0.589 176.877 176.300 -0.020 0.000 0.995 234 D CA 1.173 55.172 54.000 -0.000 0.000 0.834 234 D CB 0.428 41.229 40.800 0.000 0.000 0.967 234 D HN 0.317 nan 8.370 nan 0.000 0.446 235 L N 0.095 121.291 121.223 -0.046 0.000 2.388 235 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 235 L C -0.430 176.405 176.870 -0.059 0.000 0.995 235 L CA -0.551 54.244 54.840 -0.075 0.000 0.864 235 L CB 2.087 44.044 42.059 -0.170 0.000 1.216 235 L HN -0.157 nan 8.230 nan 0.000 0.430 236 A N 3.775 126.582 122.820 -0.021 0.000 3.214 236 A HA 0.561 4.881 4.320 -0.000 0.000 0.304 236 A C -1.770 175.826 177.584 0.021 0.000 0.969 236 A CA -0.635 51.401 52.037 -0.001 0.000 0.986 236 A CB -0.145 18.866 19.000 0.019 0.000 1.073 236 A HN 0.555 nan 8.150 nan 0.000 0.487 237 P HA 0.145 nan 4.420 nan 0.000 0.249 237 P C 0.846 178.164 177.300 0.030 0.000 1.177 237 P CA 0.420 63.536 63.100 0.026 0.000 0.879 237 P CB 0.489 32.195 31.700 0.011 0.000 1.083 238 K N -0.458 119.950 120.400 0.015 0.000 2.365 238 K HA 0.091 4.411 4.320 -0.000 0.000 0.197 238 K C 0.877 177.493 176.600 0.026 0.000 1.042 238 K CA -0.317 55.984 56.287 0.022 0.000 0.987 238 K CB -0.237 32.275 32.500 0.020 0.000 0.779 238 K HN 0.046 nan 8.250 nan 0.000 0.484 239 L N 2.131 123.359 121.223 0.009 0.000 2.559 239 L HA -0.062 4.278 4.340 -0.000 0.000 0.282 239 L C -0.217 176.631 176.870 -0.036 0.000 1.232 239 L CA 1.043 55.858 54.840 -0.042 0.000 0.885 239 L CB 0.168 42.183 42.059 -0.074 0.000 1.131 239 L HN 0.046 nan 8.230 nan 0.000 0.498 240 R N 3.584 124.012 120.500 -0.121 0.000 2.888 240 R HA 0.627 4.967 4.340 -0.000 0.000 0.264 240 R C -1.538 174.611 176.300 -0.252 0.000 1.045 240 R CA -0.765 55.324 56.100 -0.018 0.000 0.962 240 R CB 1.482 31.848 30.300 0.110 0.000 1.210 240 R HN 0.398 nan 8.270 nan 0.000 0.479 241 F N 1.775 121.797 119.950 0.119 0.000 2.520 241 F HA 0.557 5.084 4.527 -0.000 0.000 0.322 241 F C -0.308 175.580 175.800 0.146 0.000 1.103 241 F CA -0.932 57.136 58.000 0.114 0.000 0.926 241 F CB 1.605 40.697 39.000 0.153 0.000 1.154 241 F HN 0.237 nan 8.300 nan 0.000 0.453 242 L N 0.354 121.664 121.223 0.145 0.000 2.424 242 L HA 0.797 5.136 4.340 -0.000 0.000 0.258 242 L C -3.122 173.720 176.870 -0.045 0.000 0.995 242 L CA -2.728 52.157 54.840 0.075 0.000 0.821 242 L CB 2.056 44.029 42.059 -0.142 0.000 1.383 242 L HN 0.177 nan 8.230 nan 0.000 0.410 243 P HA 0.164 nan 4.420 nan 0.000 0.262 243 P C -2.142 175.057 177.300 -0.169 0.000 1.199 243 P CA -0.819 62.185 63.100 -0.160 0.000 0.763 243 P CB 0.300 31.843 31.700 -0.261 0.000 0.790 244 P HA -0.231 nan 4.420 nan 0.000 0.221 244 P C 1.102 178.327 177.300 -0.125 0.000 1.141 244 P CA 1.365 64.400 63.100 -0.108 0.000 0.794 244 P CB -0.153 31.502 31.700 -0.075 0.000 0.764 245 E N -0.439 119.676 120.200 -0.143 0.000 2.170 245 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 245 E C 1.606 178.091 176.600 -0.192 0.000 0.981 245 E CA 0.565 56.878 56.400 -0.146 0.000 0.830 245 E CB -0.992 28.630 29.700 -0.131 0.000 0.775 245 E HN 0.235 nan 8.360 nan 0.000 0.470 246 L N 1.031 122.103 121.223 -0.251 0.000 2.554 246 L HA 0.123 4.463 4.340 -0.000 0.000 0.226 246 L C 0.344 177.045 176.870 -0.282 0.000 1.137 246 L CA -0.375 54.283 54.840 -0.303 0.000 0.863 246 L CB 0.190 42.000 42.059 -0.414 0.000 0.985 246 L HN 0.202 nan 8.230 nan 0.000 0.451 247 C N 1.062 120.224 119.300 -0.230 0.000 2.307 247 C HA 0.379 4.839 4.460 -0.000 0.000 0.340 247 C C 0.404 175.292 174.990 -0.171 0.000 1.275 247 C CA -0.886 58.012 59.018 -0.199 0.000 1.811 247 C CB 0.530 28.173 27.740 -0.161 0.000 2.372 247 C HN 0.201 nan 8.230 nan 0.000 0.531 248 L N 5.240 126.353 121.223 -0.184 0.000 2.313 248 L HA 0.464 4.803 4.340 -0.000 0.000 0.273 248 L C -0.288 176.534 176.870 -0.080 0.000 1.028 248 L CA -0.422 54.330 54.840 -0.148 0.000 0.871 248 L CB 0.388 42.308 42.059 -0.230 0.000 1.242 248 L HN 0.755 nan 8.230 nan 0.000 0.434 249 L N 5.300 126.497 121.223 -0.044 0.000 2.534 249 L HA 0.167 4.507 4.340 -0.000 0.000 0.271 249 L C -0.426 176.459 176.870 0.024 0.000 1.178 249 L CA -0.013 54.824 54.840 -0.005 0.000 0.907 249 L CB 0.406 42.467 42.059 0.004 0.000 1.164 249 L HN 0.593 nan 8.230 nan 0.000 0.482 250 L N 7.668 128.918 121.223 0.046 0.000 2.371 250 L HA 0.377 4.717 4.340 -0.000 0.000 0.272 250 L C -1.802 175.167 176.870 0.165 0.000 1.124 250 L CA -1.955 52.934 54.840 0.081 0.000 0.816 250 L CB 0.469 42.570 42.059 0.070 0.000 1.129 250 L HN 0.532 nan 8.230 nan 0.000 0.448 251 P HA -0.029 nan 4.420 nan 0.000 0.269 251 P C 0.015 177.436 177.300 0.202 0.000 1.209 251 P CA -0.201 63.028 63.100 0.215 0.000 0.776 251 P CB 0.800 32.643 31.700 0.238 0.000 0.876 252 D N 2.315 122.783 120.400 0.113 0.000 2.370 252 D HA -0.271 4.369 4.640 -0.000 0.000 0.190 252 D C 1.570 177.905 176.300 0.059 0.000 1.019 252 D CA 1.991 56.035 54.000 0.074 0.000 0.869 252 D CB -0.171 40.653 40.800 0.040 0.000 0.944 252 D HN 0.589 nan 8.370 nan 0.000 0.456 253 E N -0.008 120.199 120.200 0.012 0.000 2.082 253 E HA -0.216 4.133 4.350 -0.000 0.000 0.215 253 E C 1.151 177.684 176.600 -0.112 0.000 1.048 253 E CA 0.912 57.246 56.400 -0.110 0.000 0.869 253 E CB -0.443 29.115 29.700 -0.236 0.000 0.773 253 E HN 0.328 nan 8.360 nan 0.000 0.466 254 F N 2.545 122.529 119.950 0.056 0.000 2.588 254 F HA -0.026 4.501 4.527 -0.000 0.000 0.367 254 F C 0.747 176.578 175.800 0.053 0.000 1.228 254 F CA -0.227 57.815 58.000 0.070 0.000 1.289 254 F CB -0.506 38.547 39.000 0.089 0.000 1.738 254 F HN 0.003 nan 8.300 nan 0.000 0.680 255 D N 0.575 121.053 120.400 0.129 0.000 2.229 255 D HA 0.080 4.720 4.640 -0.000 0.000 0.249 255 D C 1.380 177.734 176.300 0.091 0.000 1.027 255 D CA -0.616 53.437 54.000 0.089 0.000 0.923 255 D CB 1.571 42.392 40.800 0.034 0.000 1.174 255 D HN 0.207 nan 8.370 nan 0.000 0.443 256 L N 1.919 123.185 121.223 0.072 0.000 2.056 256 L HA -0.350 3.990 4.340 -0.000 0.000 0.237 256 L C 2.100 179.015 176.870 0.075 0.000 1.106 256 L CA 2.011 56.892 54.840 0.067 0.000 0.829 256 L CB -0.961 41.120 42.059 0.036 0.000 0.924 256 L HN 0.634 nan 8.230 nan 0.000 0.447 257 I N -0.804 119.793 120.570 0.046 0.000 2.132 257 I HA -0.401 3.769 4.170 -0.000 0.000 0.238 257 I C 2.612 178.780 176.117 0.084 0.000 1.012 257 I CA 1.628 62.951 61.300 0.039 0.000 1.288 257 I CB -0.953 37.042 38.000 -0.008 0.000 0.997 257 I HN 0.344 nan 8.210 nan 0.000 0.402 258 R N 0.415 120.953 120.500 0.062 0.000 2.148 258 R HA -0.179 4.161 4.340 -0.000 0.000 0.230 258 R C 2.171 178.630 176.300 0.265 0.000 1.120 258 R CA 1.892 58.059 56.100 0.112 0.000 0.902 258 R CB -1.441 28.874 30.300 0.025 0.000 0.839 258 R HN 0.309 nan 8.270 nan 0.000 0.431 259 V N 1.257 121.318 119.914 0.245 0.000 2.277 259 V HA -0.379 3.741 4.120 -0.000 0.000 0.239 259 V C 2.548 178.750 176.094 0.179 0.000 1.006 259 V CA 2.495 64.938 62.300 0.239 0.000 1.018 259 V CB -1.039 30.892 31.823 0.179 0.000 0.665 259 V HN 0.527 nan 8.190 nan 0.000 0.488 260 Q N 0.056 119.929 119.800 0.121 0.000 2.207 260 Q HA -0.361 3.979 4.340 -0.000 0.000 0.215 260 Q C 2.104 178.208 176.000 0.174 0.000 1.006 260 Q CA 2.778 58.637 55.803 0.094 0.000 0.903 260 Q CB -0.466 28.332 28.738 0.099 0.000 0.947 260 Q HN 0.708 nan 8.270 nan 0.000 0.414 261 A N 0.795 123.762 122.820 0.244 0.000 1.948 261 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 261 A C 2.005 179.717 177.584 0.213 0.000 1.177 261 A CA 1.584 53.809 52.037 0.314 0.000 0.636 261 A CB -0.832 18.371 19.000 0.338 0.000 0.815 261 A HN 0.609 nan 8.150 nan 0.000 0.449 262 L N -1.084 120.233 121.223 0.155 0.000 2.456 262 L HA -0.092 4.248 4.340 -0.000 0.000 0.224 262 L C 1.643 178.399 176.870 -0.190 0.000 1.148 262 L CA 1.606 56.383 54.840 -0.106 0.000 0.825 262 L CB -0.333 41.784 42.059 0.098 0.000 0.937 262 L HN 0.292 nan 8.230 nan 0.000 0.450 263 Q N -0.507 119.186 119.800 -0.179 0.000 2.472 263 Q HA 0.029 4.369 4.340 -0.000 0.000 0.208 263 Q C 0.653 176.314 176.000 -0.566 0.000 0.958 263 Q CA 0.859 56.436 55.803 -0.376 0.000 0.932 263 Q CB -0.121 28.351 28.738 -0.443 0.000 1.007 263 Q HN 0.646 nan 8.270 nan 0.000 0.508 264 F N -0.473 119.332 119.950 -0.241 0.000 2.750 264 F HA 0.220 4.747 4.527 -0.000 0.000 0.297 264 F C 1.405 176.988 175.800 -0.362 0.000 1.138 264 F CA -0.073 57.778 58.000 -0.248 0.000 1.346 264 F CB 0.338 39.195 39.000 -0.239 0.000 0.965 264 F HN -0.058 nan 8.300 nan 0.000 0.514 265 L N -0.013 121.002 121.223 -0.347 0.000 2.357 265 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 265 L C -0.575 176.158 176.870 -0.228 0.000 1.075 265 L CA 0.247 54.709 54.840 -0.630 0.000 0.830 265 L CB -1.176 40.257 42.059 -1.043 0.000 0.996 265 L HN 0.024 nan 8.230 nan 0.000 0.467 266 P HA -0.177 nan 4.420 nan 0.000 0.215 266 P C 1.230 178.591 177.300 0.103 0.000 1.153 266 P CA 1.223 64.382 63.100 0.099 0.000 0.853 266 P CB 0.073 31.659 31.700 -0.190 0.000 0.788 267 E N -0.508 119.731 120.200 0.065 0.000 2.110 267 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 267 E C 2.152 178.857 176.600 0.175 0.000 0.988 267 E CA 1.000 57.484 56.400 0.140 0.000 0.804 267 E CB -0.838 29.011 29.700 0.248 0.000 0.745 267 E HN 0.357 nan 8.360 nan 0.000 0.458 268 I N 1.162 121.834 120.570 0.169 0.000 2.315 268 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 268 I C 2.500 178.737 176.117 0.201 0.000 1.117 268 I CA 0.916 62.378 61.300 0.271 0.000 1.404 268 I CB -0.390 37.688 38.000 0.129 0.000 1.071 268 I HN -0.003 nan 8.210 nan 0.000 0.419 269 A N 1.267 124.183 122.820 0.161 0.000 1.858 269 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 269 A C 2.308 179.941 177.584 0.081 0.000 1.190 269 A CA 1.690 53.821 52.037 0.158 0.000 0.617 269 A CB -0.545 18.630 19.000 0.291 0.000 0.827 269 A HN 0.295 nan 8.150 nan 0.000 0.443 270 K N -1.385 119.056 120.400 0.068 0.000 2.127 270 K HA -0.275 4.045 4.320 -0.000 0.000 0.208 270 K C 2.065 178.598 176.600 -0.112 0.000 1.047 270 K CA 1.875 58.145 56.287 -0.029 0.000 0.927 270 K CB -0.418 32.067 32.500 -0.026 0.000 0.716 270 K HN 0.713 nan 8.250 nan 0.000 0.450 271 H N 1.111 120.043 119.070 -0.230 0.000 2.290 271 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 271 H C 1.832 176.963 175.328 -0.328 0.000 1.087 271 H CA 1.858 57.674 56.048 -0.386 0.000 1.291 271 H CB -0.229 29.265 29.762 -0.447 0.000 1.369 271 H HN 0.089 nan 8.280 nan 0.000 0.492 272 I N -0.751 119.686 120.570 -0.222 0.000 2.264 272 I HA -0.357 3.813 4.170 -0.000 0.000 0.248 272 I C 2.891 178.893 176.117 -0.190 0.000 1.111 272 I CA 1.232 62.380 61.300 -0.255 0.000 1.382 272 I CB -0.459 37.462 38.000 -0.133 0.000 1.060 272 I HN 0.465 nan 8.210 nan 0.000 0.418 273 C N 0.728 119.964 119.300 -0.107 0.000 2.446 273 C HA -0.184 4.276 4.460 -0.000 0.000 0.277 273 C C 2.629 177.587 174.990 -0.053 0.000 1.275 273 C CA 1.329 60.342 59.018 -0.010 0.000 1.727 273 C CB -0.855 26.888 27.740 0.004 0.000 2.010 273 C HN 0.530 nan 8.230 nan 0.000 0.486 274 D N 0.616 120.879 120.400 -0.229 0.000 2.120 274 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 274 D C 1.941 178.076 176.300 -0.274 0.000 0.994 274 D CA 1.989 55.835 54.000 -0.257 0.000 0.838 274 D CB -0.562 39.991 40.800 -0.411 0.000 0.976 274 D HN 0.577 nan 8.370 nan 0.000 0.447 275 I N 0.590 120.778 120.570 -0.637 0.000 2.148 275 I HA -0.412 3.758 4.170 -0.000 0.000 0.229 275 I C 2.738 178.729 176.117 -0.209 0.000 0.993 275 I CA 1.769 62.667 61.300 -0.670 0.000 1.295 275 I CB -0.752 36.845 38.000 -0.672 0.000 1.004 275 I HN 0.232 nan 8.210 nan 0.000 0.386 276 Q N 0.139 119.852 119.800 -0.145 0.000 2.165 276 Q HA -0.329 4.011 4.340 -0.000 0.000 0.215 276 Q C 2.092 178.097 176.000 0.008 0.000 1.010 276 Q CA 2.340 58.114 55.803 -0.048 0.000 0.896 276 Q CB -0.590 28.138 28.738 -0.016 0.000 0.956 276 Q HN 0.549 nan 8.270 nan 0.000 0.413 277 N N -0.220 118.526 118.700 0.077 0.000 2.084 277 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 277 N C 1.577 177.157 175.510 0.116 0.000 1.030 277 N CA 1.926 55.054 53.050 0.130 0.000 0.849 277 N CB -0.151 38.498 38.487 0.270 0.000 1.012 277 N HN 0.168 nan 8.380 nan 0.000 0.423 278 T N 2.564 117.220 114.554 0.170 0.000 2.652 278 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 278 T C 2.020 176.785 174.700 0.109 0.000 1.039 278 T CA 1.119 63.367 62.100 0.246 0.000 1.153 278 T CB -0.116 69.051 68.868 0.499 0.000 0.863 278 T HN 0.138 nan 8.240 nan 0.000 0.428 279 I N 1.922 122.546 120.570 0.090 0.000 2.065 279 I HA -0.163 4.007 4.170 -0.000 0.000 0.236 279 I C 2.031 178.146 176.117 -0.003 0.000 1.028 279 I CA 1.235 62.560 61.300 0.041 0.000 1.299 279 I CB -1.595 36.420 38.000 0.024 0.000 1.015 279 I HN 0.444 nan 8.210 nan 0.000 0.396 280 C N 0.431 119.722 119.300 -0.014 0.000 2.400 280 C HA 0.757 5.217 4.460 -0.000 0.000 0.457 280 C C 1.013 175.983 174.990 -0.033 0.000 1.020 280 C CA -0.034 58.964 59.018 -0.034 0.000 1.258 280 C CB -0.870 26.838 27.740 -0.053 0.000 1.532 280 C HN 0.586 nan 8.230 nan 0.000 0.537 281 A N 2.419 125.210 122.820 -0.049 0.000 2.025 281 A HA 0.286 4.606 4.320 -0.000 0.000 0.162 281 A C 0.806 178.302 177.584 -0.147 0.000 1.995 281 A CA 0.161 52.165 52.037 -0.056 0.000 1.547 281 A CB -0.229 18.768 19.000 -0.005 0.000 1.629 281 A HN 0.604 nan 8.150 nan 0.000 0.309 282 L N -0.198 120.916 121.223 -0.182 0.000 3.360 282 L HA 0.235 4.575 4.340 -0.000 0.000 0.303 282 L C 1.375 178.154 176.870 -0.152 0.000 1.218 282 L CA 0.444 55.115 54.840 -0.281 0.000 1.059 282 L CB 0.844 42.603 42.059 -0.500 0.000 1.468 282 L HN 0.285 nan 8.230 nan 0.000 0.614 283 D N 1.771 122.119 120.400 -0.085 0.000 2.123 283 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 283 D C 1.432 177.727 176.300 -0.010 0.000 0.992 283 D CA 1.530 55.515 54.000 -0.025 0.000 0.833 283 D CB 0.416 41.206 40.800 -0.016 0.000 0.954 283 D HN 0.058 nan 8.370 nan 0.000 0.455 284 K N -0.631 119.747 120.400 -0.037 0.000 2.437 284 K HA 0.274 4.593 4.320 -0.000 0.000 0.198 284 K C 1.101 177.674 176.600 -0.046 0.000 1.024 284 K CA 0.006 56.271 56.287 -0.036 0.000 1.148 284 K CB 0.639 33.114 32.500 -0.042 0.000 0.860 284 K HN -0.117 nan 8.250 nan 0.000 0.515 285 S N -0.201 115.467 115.700 -0.053 0.000 2.559 285 S HA 0.270 4.740 4.470 -0.000 0.000 0.226 285 S C -0.686 173.922 174.600 0.012 0.000 1.000 285 S CA -0.498 57.658 58.200 -0.072 0.000 0.948 285 S CB 0.087 63.180 63.200 -0.178 0.000 0.870 285 S HN 0.282 nan 8.310 nan 0.000 0.497 286 F N 2.662 122.524 119.950 -0.147 0.000 2.540 286 F HA 0.523 5.049 4.527 -0.000 0.000 0.317 286 F C -2.908 172.834 175.800 -0.096 0.000 1.104 286 F CA -2.502 55.418 58.000 -0.133 0.000 0.913 286 F CB 1.039 39.940 39.000 -0.165 0.000 1.170 286 F HN -0.186 nan 8.300 nan 0.000 0.450 287 P HA -0.078 nan 4.420 nan 0.000 0.257 287 P C -0.980 176.101 177.300 -0.365 0.000 1.162 287 P CA 0.483 63.281 63.100 -0.503 0.000 0.762 287 P CB 0.248 31.470 31.700 -0.797 0.000 0.753 288 D N 2.521 122.832 120.400 -0.149 0.000 2.425 288 D HA -0.023 4.617 4.640 -0.000 0.000 0.247 288 D C 0.847 177.096 176.300 -0.086 0.000 1.147 288 D CA -0.254 53.706 54.000 -0.066 0.000 0.879 288 D CB 0.425 41.205 40.800 -0.032 0.000 1.179 288 D HN 0.440 nan 8.370 nan 0.000 0.456 289 C N 1.736 121.017 119.300 -0.033 0.000 2.935 289 C HA 0.650 5.110 4.460 -0.000 0.000 0.308 289 C C 1.655 176.649 174.990 0.006 0.000 1.263 289 C CA 0.443 59.445 59.018 -0.027 0.000 1.738 289 C CB -0.459 27.288 27.740 0.013 0.000 2.237 289 C HN 0.740 nan 8.230 nan 0.000 0.600 290 G N 1.024 109.833 108.800 0.016 0.000 2.307 290 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.210 290 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.210 290 G C 0.272 175.191 174.900 0.032 0.000 1.005 290 G CA -0.141 44.971 45.100 0.020 0.000 0.634 290 G HN 0.639 nan 8.290 nan 0.000 0.496 291 R N 0.517 121.045 120.500 0.047 0.000 2.774 291 R HA 0.559 4.899 4.340 -0.000 0.000 0.269 291 R C 0.363 176.699 176.300 0.060 0.000 1.068 291 R CA 0.907 57.045 56.100 0.063 0.000 1.180 291 R CB 0.332 30.683 30.300 0.085 0.000 1.077 291 R HN 0.752 nan 8.270 nan 0.000 0.513 292 I N -3.872 116.739 120.570 0.067 0.000 3.181 292 I HA 0.634 4.804 4.170 -0.000 0.000 0.311 292 I C 0.453 176.616 176.117 0.075 0.000 1.287 292 I CA -0.380 60.957 61.300 0.063 0.000 0.958 292 I CB 1.414 39.443 38.000 0.047 0.000 1.294 292 I HN 0.737 nan 8.210 nan 0.000 0.467 293 G N 1.711 110.550 108.800 0.066 0.000 2.583 293 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.292 293 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.292 293 G C 0.826 175.773 174.900 0.078 0.000 1.203 293 G CA 1.043 46.177 45.100 0.056 0.000 0.987 293 G HN 1.790 nan 8.290 nan 0.000 0.554 294 G N -0.504 108.332 108.800 0.061 0.000 2.422 294 G HA2 0.036 3.995 3.960 -0.000 0.000 0.218 294 G HA3 0.036 3.995 3.960 -0.000 0.000 0.218 294 G C 1.527 176.558 174.900 0.218 0.000 1.146 294 G CA 1.685 46.846 45.100 0.101 0.000 0.769 294 G HN 0.776 nan 8.290 nan 0.000 0.547 295 E N -0.248 120.057 120.200 0.175 0.000 2.107 295 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 295 E C 2.564 179.280 176.600 0.193 0.000 0.982 295 E CA 0.584 57.108 56.400 0.208 0.000 0.809 295 E CB -0.011 29.787 29.700 0.163 0.000 0.756 295 E HN 0.247 nan 8.360 nan 0.000 0.459 296 R N 0.430 121.020 120.500 0.150 0.000 2.115 296 R HA -0.181 4.159 4.340 -0.000 0.000 0.230 296 R C 1.991 178.358 176.300 0.112 0.000 1.111 296 R CA 1.186 57.354 56.100 0.114 0.000 0.976 296 R CB -0.659 29.698 30.300 0.094 0.000 0.870 296 R HN 0.259 nan 8.270 nan 0.000 0.445 297 Y N 0.080 120.418 120.300 0.064 0.000 2.062 297 Y HA -0.193 4.357 4.550 0.000 0.000 0.272 297 Y C 1.822 177.793 175.900 0.118 0.000 1.117 297 Y CA 1.936 60.078 58.100 0.070 0.000 1.095 297 Y CB -1.276 37.208 38.460 0.041 0.000 0.985 297 Y HN 0.104 nan 8.280 nan 0.000 0.479 298 F N 1.273 120.973 119.950 -0.417 0.000 2.184 298 F HA -0.271 4.256 4.527 -0.000 0.000 0.301 298 F C 2.217 177.889 175.800 -0.213 0.000 1.076 298 F CA 1.700 59.443 58.000 -0.429 0.000 1.295 298 F CB -0.980 37.977 39.000 -0.073 0.000 1.026 298 F HN 0.202 nan 8.300 nan 0.000 0.494 299 A N 0.453 123.135 122.820 -0.230 0.000 1.930 299 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 299 A C 2.391 179.761 177.584 -0.357 0.000 1.175 299 A CA 1.792 53.680 52.037 -0.250 0.000 0.627 299 A CB -1.024 17.962 19.000 -0.024 0.000 0.815 299 A HN 0.490 nan 8.150 nan 0.000 0.443 300 I N -0.580 119.758 120.570 -0.387 0.000 2.353 300 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 300 I C 2.466 178.397 176.117 -0.310 0.000 1.119 300 I CA 1.556 62.497 61.300 -0.598 0.000 1.417 300 I CB -0.496 37.242 38.000 -0.436 0.000 1.078 300 I HN 0.272 nan 8.210 nan 0.000 0.421 301 T N 0.978 115.404 114.554 -0.213 0.000 2.708 301 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 301 T C 2.083 176.737 174.700 -0.077 0.000 1.037 301 T CA 1.463 63.520 62.100 -0.073 0.000 1.146 301 T CB -0.337 68.258 68.868 -0.455 0.000 0.865 301 T HN 0.446 nan 8.240 nan 0.000 0.435 302 A N 1.232 123.890 122.820 -0.271 0.000 1.978 302 A HA 0.100 4.420 4.320 -0.000 0.000 0.220 302 A C 2.521 180.182 177.584 0.129 0.000 1.170 302 A CA 1.804 53.786 52.037 -0.092 0.000 0.636 302 A CB -1.128 17.626 19.000 -0.411 0.000 0.810 302 A HN 0.535 nan 8.150 nan 0.000 0.448 303 G N -1.395 107.395 108.800 -0.017 0.000 2.683 303 G HA2 0.218 4.178 3.960 -0.000 0.000 0.213 303 G HA3 0.218 4.178 3.960 -0.000 0.000 0.213 303 G C 1.308 176.319 174.900 0.186 0.000 1.142 303 G CA 0.647 45.816 45.100 0.115 0.000 0.793 303 G HN 0.417 nan 8.290 nan 0.000 0.534 304 L N -0.762 120.521 121.223 0.099 0.000 2.642 304 L HA 0.366 4.706 4.340 -0.000 0.000 0.233 304 L C 0.803 177.896 176.870 0.373 0.000 1.077 304 L CA -0.163 54.804 54.840 0.211 0.000 0.879 304 L CB 0.443 42.530 42.059 0.047 0.000 1.151 304 L HN -0.133 nan 8.230 nan 0.000 0.495 305 R N 1.809 122.507 120.500 0.331 0.000 2.825 305 R HA 0.277 4.617 4.340 -0.000 0.000 0.261 305 R C 0.892 177.366 176.300 0.290 0.000 1.341 305 R CA -0.093 56.175 56.100 0.280 0.000 1.353 305 R CB 0.270 30.620 30.300 0.084 0.000 1.191 305 R HN 0.288 nan 8.270 nan 0.000 0.590 306 L N 0.104 121.462 121.223 0.224 0.000 2.362 306 L HA -0.100 4.240 4.340 -0.000 0.000 0.219 306 L C 0.989 177.850 176.870 -0.015 0.000 1.134 306 L CA 1.046 55.886 54.840 0.001 0.000 0.807 306 L CB -0.377 41.610 42.059 -0.119 0.000 0.927 306 L HN 0.359 nan 8.230 nan 0.000 0.447 307 D N -0.051 120.448 120.400 0.165 0.000 2.272 307 D HA 0.225 4.865 4.640 -0.000 0.000 0.247 307 D C -0.319 176.112 176.300 0.217 0.000 0.990 307 D CA -0.689 53.404 54.000 0.156 0.000 0.931 307 D CB 1.158 42.108 40.800 0.251 0.000 1.195 307 D HN 0.161 nan 8.370 nan 0.000 0.477 308 Q N 0.347 120.238 119.800 0.152 0.000 2.396 308 Q HA 0.464 4.804 4.340 -0.000 0.000 0.221 308 Q C 0.709 176.819 176.000 0.184 0.000 1.025 308 Q CA -1.040 54.883 55.803 0.201 0.000 0.946 308 Q CB 0.231 29.031 28.738 0.102 0.000 1.224 308 Q HN 0.541 nan 8.270 nan 0.000 0.539 309 G N 0.318 109.232 108.800 0.190 0.000 2.664 309 G HA2 0.067 4.027 3.960 -0.000 0.000 0.242 309 G HA3 0.067 4.027 3.960 -0.000 0.000 0.242 309 G C -0.735 174.203 174.900 0.062 0.000 1.225 309 G CA -0.597 44.565 45.100 0.103 0.000 0.849 309 G HN 0.614 nan 8.290 nan 0.000 0.581 310 R N 1.052 121.562 120.500 0.017 0.000 2.346 310 R HA 0.446 4.786 4.340 -0.000 0.000 0.309 310 R C 1.443 177.717 176.300 -0.043 0.000 1.119 310 R CA 0.598 56.693 56.100 -0.008 0.000 1.112 310 R CB -0.242 30.044 30.300 -0.023 0.000 1.132 310 R HN 0.974 nan 8.270 nan 0.000 0.538 311 G N 4.974 113.764 108.800 -0.017 0.000 3.947 311 G HA2 -0.554 3.406 3.960 -0.000 0.000 0.365 311 G HA3 -0.554 3.406 3.960 -0.000 0.000 0.365 311 G C 1.136 176.004 174.900 -0.054 0.000 1.532 311 G CA 1.069 46.153 45.100 -0.027 0.000 1.426 311 G HN 0.751 nan 8.290 nan 0.000 0.794 312 R N 1.117 121.513 120.500 -0.174 0.000 2.113 312 R HA 0.265 4.605 4.340 -0.000 0.000 0.244 312 R C 1.462 177.682 176.300 -0.133 0.000 1.142 312 R CA 2.281 58.177 56.100 -0.341 0.000 0.953 312 R CB -0.614 29.241 30.300 -0.741 0.000 0.860 312 R HN 2.121 nan 8.270 nan 0.000 0.438 313 G N -1.167 107.583 108.800 -0.083 0.000 2.341 313 G HA2 0.178 4.138 3.960 -0.000 0.000 0.293 313 G HA3 0.178 4.138 3.960 -0.000 0.000 0.293 313 G C -0.598 174.309 174.900 0.011 0.000 1.298 313 G CA -0.305 44.809 45.100 0.023 0.000 0.868 313 G HN 0.080 nan 8.290 nan 0.000 0.540 314 L N 0.422 121.672 121.223 0.044 0.000 2.071 314 L HA 0.646 4.986 4.340 -0.000 0.000 0.201 314 L C 2.074 178.929 176.870 -0.025 0.000 1.076 314 L CA 2.598 57.439 54.840 0.001 0.000 0.755 314 L CB -0.391 41.648 42.059 -0.034 0.000 0.915 314 L HN 1.313 nan 8.230 nan 0.000 0.445 315 A N -0.824 121.994 122.820 -0.003 0.000 2.937 315 A HA 0.632 4.952 4.320 -0.000 0.000 0.338 315 A C 0.639 178.235 177.584 0.020 0.000 1.273 315 A CA 0.133 52.163 52.037 -0.010 0.000 0.937 315 A CB -0.868 18.118 19.000 -0.024 0.000 1.133 315 A HN 0.796 nan 8.150 nan 0.000 0.491 316 G N 0.627 109.436 108.800 0.016 0.000 2.669 316 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.250 316 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.250 316 G C 0.393 175.294 174.900 0.002 0.000 1.247 316 G CA 0.403 45.536 45.100 0.055 0.000 0.958 316 G HN 0.693 nan 8.290 nan 0.000 0.559 317 W N 2.714 124.059 121.300 0.075 0.000 3.013 317 W HA 0.369 5.029 4.660 0.000 0.000 0.280 317 W C 1.826 178.427 176.519 0.137 0.000 1.249 317 W CA 0.417 57.824 57.345 0.103 0.000 1.577 317 W CB 0.126 29.659 29.460 0.120 0.000 1.057 317 W HN 0.687 nan 8.180 nan 0.000 0.613 318 R N 0.352 121.067 120.500 0.357 0.000 2.459 318 R HA 0.642 4.982 4.340 -0.000 0.000 0.281 318 R C -0.502 175.948 176.300 0.250 0.000 1.050 318 R CA -0.081 56.236 56.100 0.361 0.000 1.055 318 R CB 0.653 31.116 30.300 0.273 0.000 1.045 318 R HN -0.263 nan 8.270 nan 0.000 0.495 319 T N 3.584 118.332 114.554 0.323 0.000 2.985 319 T HA 0.306 4.656 4.350 -0.000 0.000 0.315 319 T C -2.660 172.251 174.700 0.352 0.000 1.001 319 T CA -1.402 60.858 62.100 0.266 0.000 1.016 319 T CB 1.868 70.883 68.868 0.245 0.000 0.993 319 T HN 0.480 nan 8.240 nan 0.000 0.454 320 P HA 0.378 nan 4.420 nan 0.000 0.271 320 P C -0.898 176.534 177.300 0.220 0.000 1.216 320 P CA -0.419 62.818 63.100 0.227 0.000 0.771 320 P CB 0.123 32.029 31.700 0.343 0.000 0.864 321 F N 0.151 120.134 119.950 0.056 0.000 2.551 321 F HA 0.791 5.318 4.527 -0.000 0.000 0.316 321 F C 0.525 176.127 175.800 -0.331 0.000 1.089 321 F CA -1.274 56.709 58.000 -0.028 0.000 0.915 321 F CB 0.742 39.770 39.000 0.048 0.000 1.186 321 F HN 0.304 nan 8.300 nan 0.000 0.456 322 G N 1.160 109.782 108.800 -0.296 0.000 2.653 322 G HA2 0.485 4.445 3.960 -0.000 0.000 0.265 322 G HA3 0.485 4.445 3.960 -0.000 0.000 0.265 322 G C -2.841 172.087 174.900 0.047 0.000 1.237 322 G CA -1.797 43.026 45.100 -0.461 0.000 0.946 322 G HN 0.516 nan 8.290 nan 0.000 0.522 323 P HA 0.022 nan 4.420 nan 0.000 0.266 323 P C -0.249 177.152 177.300 0.168 0.000 1.180 323 P CA 0.555 63.646 63.100 -0.016 0.000 0.765 323 P CB -0.036 31.661 31.700 -0.005 0.000 0.806 324 F N -0.196 119.837 119.950 0.138 0.000 3.057 324 F HA -0.204 4.324 4.527 0.000 0.000 0.287 324 F C 1.411 177.262 175.800 0.085 0.000 0.834 324 F CA 0.872 58.925 58.000 0.090 0.000 1.147 324 F CB -2.690 36.346 39.000 0.060 0.000 1.245 324 F HN 0.629 nan 8.300 nan 0.000 0.509 325 G N -0.141 108.803 108.800 0.241 0.000 2.321 325 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.287 325 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.287 325 G C -0.036 174.957 174.900 0.156 0.000 1.018 325 G CA 0.099 45.233 45.100 0.058 0.000 0.855 325 G HN 0.778 nan 8.290 nan 0.000 0.507 326 V N 0.978 121.060 119.914 0.281 0.000 2.432 326 V HA 0.519 4.639 4.120 -0.000 0.000 0.271 326 V C 1.288 177.588 176.094 0.343 0.000 1.046 326 V CA -0.090 62.372 62.300 0.271 0.000 0.945 326 V CB 1.214 33.211 31.823 0.290 0.000 0.992 326 V HN 0.908 nan 8.190 nan 0.000 0.471 327 S N 4.662 120.534 115.700 0.287 0.000 2.566 327 S HA -0.052 4.418 4.470 -0.000 0.000 0.280 327 S C 1.505 176.349 174.600 0.406 0.000 1.343 327 S CA 0.423 58.824 58.200 0.335 0.000 1.036 327 S CB 0.311 63.605 63.200 0.155 0.000 0.866 327 S HN 0.944 nan 8.310 nan 0.000 0.526 328 H N 2.066 121.393 119.070 0.428 0.000 2.456 328 H HA -0.033 4.523 4.556 0.000 0.000 0.296 328 H C 1.715 177.155 175.328 0.187 0.000 1.079 328 H CA 1.739 57.967 56.048 0.300 0.000 1.322 328 H CB -1.522 28.343 29.762 0.172 0.000 1.388 328 H HN 0.637 nan 8.280 nan 0.000 0.538 329 T N 1.610 115.901 114.554 -0.437 0.000 2.701 329 T HA -0.116 4.234 4.350 -0.000 0.000 0.263 329 T C 1.520 176.220 174.700 0.001 0.000 1.040 329 T CA 1.495 63.424 62.100 -0.285 0.000 1.147 329 T CB -0.178 68.485 68.868 -0.341 0.000 0.865 329 T HN 0.410 nan 8.240 nan 0.000 0.426 330 D N 0.948 121.379 120.400 0.053 0.000 2.117 330 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 330 D C 2.276 178.692 176.300 0.192 0.000 0.987 330 D CA 0.731 54.804 54.000 0.122 0.000 0.829 330 D CB -0.554 40.325 40.800 0.131 0.000 0.961 330 D HN 0.208 nan 8.370 nan 0.000 0.460 331 V N 1.187 121.243 119.914 0.237 0.000 2.287 331 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 331 V C 2.235 178.457 176.094 0.213 0.000 1.053 331 V CA 1.539 63.990 62.300 0.253 0.000 1.027 331 V CB -0.728 31.259 31.823 0.273 0.000 0.646 331 V HN 0.129 nan 8.190 nan 0.000 0.447 332 F N 0.271 120.245 119.950 0.040 0.000 2.126 332 F HA -0.271 4.255 4.527 -0.000 0.000 0.299 332 F C 2.678 178.504 175.800 0.043 0.000 1.096 332 F CA 2.217 60.235 58.000 0.030 0.000 1.255 332 F CB -0.097 38.913 39.000 0.016 0.000 0.997 332 F HN 0.106 nan 8.300 nan 0.000 0.479 333 Q N 0.574 120.636 119.800 0.437 0.000 2.030 333 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 333 Q C 2.054 178.171 176.000 0.195 0.000 0.986 333 Q CA 2.179 58.162 55.803 0.299 0.000 0.843 333 Q CB -0.200 28.639 28.738 0.169 0.000 0.904 333 Q HN 0.508 nan 8.270 nan 0.000 0.420 334 R N -0.281 120.326 120.500 0.178 0.000 2.320 334 R HA 0.047 4.387 4.340 -0.000 0.000 0.211 334 R C 1.452 177.793 176.300 0.068 0.000 0.931 334 R CA 0.255 56.452 56.100 0.161 0.000 1.071 334 R CB 0.099 30.555 30.300 0.260 0.000 1.025 334 R HN 0.284 nan 8.270 nan 0.000 0.495 335 L N 0.262 121.495 121.223 0.018 0.000 2.470 335 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 335 L C 2.494 179.282 176.870 -0.137 0.000 1.071 335 L CA 0.432 55.218 54.840 -0.090 0.000 0.850 335 L CB -0.073 41.929 42.059 -0.095 0.000 1.040 335 L HN 0.262 nan 8.230 nan 0.000 0.475 336 E N 0.958 121.087 120.200 -0.118 0.000 2.028 336 E HA -0.247 4.103 4.350 -0.000 0.000 0.190 336 E C 2.228 178.815 176.600 -0.021 0.000 0.984 336 E CA 1.032 57.381 56.400 -0.085 0.000 0.800 336 E CB 0.063 29.771 29.700 0.014 0.000 0.758 336 E HN 0.224 nan 8.360 nan 0.000 0.448 337 L N 1.173 122.402 121.223 0.011 0.000 2.051 337 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 337 L C 2.357 179.203 176.870 -0.040 0.000 1.076 337 L CA 1.641 56.487 54.840 0.010 0.000 0.758 337 L CB -0.653 41.427 42.059 0.034 0.000 0.890 337 L HN 0.333 nan 8.230 nan 0.000 0.433 338 L N -0.765 120.399 121.223 -0.099 0.000 2.179 338 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 338 L C 2.273 179.039 176.870 -0.173 0.000 1.096 338 L CA 1.668 56.404 54.840 -0.172 0.000 0.779 338 L CB -1.016 40.865 42.059 -0.298 0.000 0.922 338 L HN 0.280 nan 8.230 nan 0.000 0.443 339 G N -1.189 107.533 108.800 -0.130 0.000 2.422 339 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 339 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 339 G C 1.394 176.274 174.900 -0.034 0.000 1.140 339 G CA 0.699 45.737 45.100 -0.103 0.000 0.775 339 G HN 0.428 nan 8.290 nan 0.000 0.545 340 D N 1.215 121.611 120.400 -0.007 0.000 2.123 340 D HA -0.087 4.552 4.640 -0.000 0.000 0.196 340 D C 2.724 179.040 176.300 0.026 0.000 0.992 340 D CA 1.357 55.380 54.000 0.037 0.000 0.833 340 D CB -0.224 40.598 40.800 0.038 0.000 0.954 340 D HN 0.244 nan 8.370 nan 0.000 0.455 341 A N 0.537 123.344 122.820 -0.022 0.000 1.897 341 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 341 A C 2.595 180.168 177.584 -0.018 0.000 1.181 341 A CA 2.205 54.225 52.037 -0.028 0.000 0.620 341 A CB -0.889 18.064 19.000 -0.079 0.000 0.821 341 A HN 0.263 nan 8.150 nan 0.000 0.443 342 V N -1.593 118.253 119.914 -0.114 0.000 2.358 342 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 342 V C 2.337 178.462 176.094 0.053 0.000 1.047 342 V CA 1.825 64.056 62.300 -0.114 0.000 1.035 342 V CB -1.221 30.346 31.823 -0.427 0.000 0.658 342 V HN 0.391 nan 8.190 nan 0.000 0.452 343 L N 2.861 124.119 121.223 0.059 0.000 2.046 343 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 343 L C 2.408 179.367 176.870 0.149 0.000 1.077 343 L CA 2.466 57.392 54.840 0.143 0.000 0.747 343 L CB -1.545 40.626 42.059 0.188 0.000 0.896 343 L HN 0.316 nan 8.230 nan 0.000 0.432 344 G N -1.054 107.824 108.800 0.130 0.000 2.418 344 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 344 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 344 G C 1.527 176.532 174.900 0.174 0.000 1.158 344 G CA 0.865 46.048 45.100 0.137 0.000 0.771 344 G HN 0.496 nan 8.290 nan 0.000 0.545 345 F N 1.731 121.710 119.950 0.047 0.000 2.134 345 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 345 F C 2.390 178.245 175.800 0.090 0.000 1.097 345 F CA 0.495 58.532 58.000 0.062 0.000 1.264 345 F CB -0.244 38.785 39.000 0.048 0.000 1.001 345 F HN 0.017 nan 8.300 nan 0.000 0.479 346 I N 0.182 120.602 120.570 -0.250 0.000 2.099 346 I HA -0.277 3.893 4.170 -0.000 0.000 0.239 346 I C 2.554 178.577 176.117 -0.157 0.000 1.066 346 I CA 1.473 62.600 61.300 -0.289 0.000 1.324 346 I CB -1.665 36.356 38.000 0.034 0.000 1.037 346 I HN 0.040 nan 8.210 nan 0.000 0.401 347 V N 0.943 120.901 119.914 0.073 0.000 2.282 347 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 347 V C 2.607 178.723 176.094 0.037 0.000 1.057 347 V CA 2.507 64.921 62.300 0.190 0.000 1.032 347 V CB -1.290 30.683 31.823 0.250 0.000 0.645 347 V HN 0.469 nan 8.190 nan 0.000 0.447 348 T N 0.236 114.795 114.554 0.008 0.000 2.720 348 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 348 T C 2.041 176.687 174.700 -0.090 0.000 1.037 348 T CA 1.733 63.833 62.100 -0.002 0.000 1.144 348 T CB -0.453 68.459 68.868 0.075 0.000 0.864 348 T HN 0.602 nan 8.240 nan 0.000 0.444 349 A N 1.991 124.695 122.820 -0.193 0.000 1.841 349 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 349 A C 2.406 179.842 177.584 -0.246 0.000 1.195 349 A CA 1.071 52.992 52.037 -0.194 0.000 0.611 349 A CB -0.393 18.416 19.000 -0.318 0.000 0.835 349 A HN 0.186 nan 8.150 nan 0.000 0.443 350 R N -0.381 119.853 120.500 -0.444 0.000 2.120 350 R HA 0.000 4.340 4.340 -0.000 0.000 0.234 350 R C 2.004 177.932 176.300 -0.621 0.000 1.123 350 R CA 0.934 56.569 56.100 -0.774 0.000 0.975 350 R CB -0.931 28.368 30.300 -1.667 0.000 0.866 350 R HN 0.598 nan 8.270 nan 0.000 0.446 351 L N -0.039 120.990 121.223 -0.323 0.000 2.109 351 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 351 L C 2.165 179.046 176.870 0.019 0.000 1.086 351 L CA 0.445 55.281 54.840 -0.007 0.000 0.760 351 L CB -0.351 41.808 42.059 0.167 0.000 0.910 351 L HN 0.070 nan 8.230 nan 0.000 0.437 352 L N -0.531 120.648 121.223 -0.073 0.000 2.013 352 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 352 L C 2.558 179.426 176.870 -0.004 0.000 1.073 352 L CA 1.833 56.609 54.840 -0.106 0.000 0.753 352 L CB -0.755 41.123 42.059 -0.303 0.000 0.890 352 L HN 0.333 nan 8.230 nan 0.000 0.432 353 C N -1.800 117.481 119.300 -0.033 0.000 2.467 353 C HA -0.019 4.440 4.460 -0.000 0.000 0.279 353 C C 2.596 177.488 174.990 -0.163 0.000 1.347 353 C CA 0.093 59.081 59.018 -0.049 0.000 1.748 353 C CB -0.715 26.977 27.740 -0.081 0.000 1.977 353 C HN 0.524 nan 8.230 nan 0.000 0.501 354 L N -0.636 120.433 121.223 -0.257 0.000 2.217 354 L HA 0.157 4.496 4.340 -0.000 0.000 0.211 354 L C 0.039 176.514 176.870 -0.658 0.000 1.107 354 L CA 1.869 56.430 54.840 -0.466 0.000 0.783 354 L CB -0.346 41.393 42.059 -0.534 0.000 0.919 354 L HN 0.256 nan 8.230 nan 0.000 0.442 355 F N 0.387 120.332 119.950 -0.008 0.000 2.584 355 F HA 0.397 4.924 4.527 0.000 0.000 0.328 355 F C -1.572 174.225 175.800 -0.005 0.000 1.407 355 F CA -1.885 56.121 58.000 0.009 0.000 1.145 355 F CB 0.287 39.294 39.000 0.012 0.000 1.440 355 F HN -0.077 nan 8.300 nan 0.000 0.580 356 P HA -0.204 nan 4.420 nan 0.000 0.223 356 P C 0.937 178.284 177.300 0.078 0.000 1.144 356 P CA 1.554 64.592 63.100 -0.103 0.000 0.783 356 P CB 0.553 31.899 31.700 -0.590 0.000 0.771 357 D N -0.407 120.163 120.400 0.283 0.000 2.392 357 D HA 0.056 4.696 4.640 -0.000 0.000 0.206 357 D C 0.625 177.051 176.300 0.210 0.000 1.046 357 D CA -0.101 54.128 54.000 0.382 0.000 0.865 357 D CB 0.192 41.212 40.800 0.368 0.000 0.969 357 D HN -0.045 nan 8.370 nan 0.000 0.509 358 A N 0.831 123.754 122.820 0.172 0.000 2.448 358 A HA 0.351 4.671 4.320 -0.000 0.000 0.239 358 A C 0.608 178.220 177.584 0.048 0.000 1.080 358 A CA 0.111 52.192 52.037 0.074 0.000 0.779 358 A CB 0.328 19.345 19.000 0.028 0.000 1.026 358 A HN 0.318 nan 8.150 nan 0.000 0.499 359 S N 0.396 116.100 115.700 0.007 0.000 2.646 359 S HA 0.385 4.855 4.470 -0.000 0.000 0.276 359 S C 1.028 175.617 174.600 -0.019 0.000 1.222 359 S CA -0.219 57.980 58.200 -0.000 0.000 1.014 359 S CB 1.173 64.368 63.200 -0.008 0.000 0.991 359 S HN 0.759 nan 8.310 nan 0.000 0.533 360 V N 2.895 122.797 119.914 -0.021 0.000 2.250 360 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 360 V C 2.824 178.905 176.094 -0.022 0.000 1.060 360 V CA 2.586 64.871 62.300 -0.025 0.000 1.030 360 V CB -1.914 29.897 31.823 -0.020 0.000 0.643 360 V HN 1.085 nan 8.190 nan 0.000 0.445 361 G N 0.401 109.189 108.800 -0.020 0.000 2.553 361 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.218 361 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.218 361 G C 1.733 176.613 174.900 -0.034 0.000 1.195 361 G CA 2.179 47.266 45.100 -0.021 0.000 0.779 361 G HN 0.607 nan 8.290 nan 0.000 0.577 362 T N -0.511 114.014 114.554 -0.048 0.000 2.995 362 T HA 0.140 4.490 4.350 -0.000 0.000 0.269 362 T C 2.372 177.019 174.700 -0.088 0.000 1.091 362 T CA 0.799 62.851 62.100 -0.079 0.000 1.128 362 T CB -0.143 68.661 68.868 -0.106 0.000 0.891 362 T HN 0.188 nan 8.240 nan 0.000 0.492 363 L N 0.575 121.763 121.223 -0.058 0.000 2.291 363 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 363 L C 2.546 179.407 176.870 -0.015 0.000 1.120 363 L CA 0.448 55.268 54.840 -0.035 0.000 0.799 363 L CB -0.234 41.810 42.059 -0.025 0.000 0.925 363 L HN 0.209 nan 8.230 nan 0.000 0.446 364 V N -0.750 119.154 119.914 -0.016 0.000 2.725 364 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 364 V C 2.120 178.210 176.094 -0.007 0.000 1.058 364 V CA 1.050 63.350 62.300 -0.001 0.000 1.080 364 V CB -0.152 31.673 31.823 0.002 0.000 0.713 364 V HN 0.417 nan 8.190 nan 0.000 0.465 365 E N 0.557 120.741 120.200 -0.027 0.000 2.107 365 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 365 E C 2.221 178.797 176.600 -0.039 0.000 0.982 365 E CA 1.054 57.433 56.400 -0.034 0.000 0.809 365 E CB -0.138 29.532 29.700 -0.051 0.000 0.756 365 E HN 0.483 nan 8.360 nan 0.000 0.459 366 L N 1.235 122.426 121.223 -0.053 0.000 2.056 366 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 366 L C 2.685 179.563 176.870 0.014 0.000 1.078 366 L CA 1.173 55.984 54.840 -0.049 0.000 0.749 366 L CB -0.539 41.470 42.059 -0.082 0.000 0.901 366 L HN 0.084 nan 8.230 nan 0.000 0.433 367 K N 0.353 120.775 120.400 0.037 0.000 2.000 367 K HA -0.254 4.066 4.320 -0.000 0.000 0.218 367 K C 2.278 178.908 176.600 0.049 0.000 1.053 367 K CA 1.856 58.184 56.287 0.068 0.000 0.946 367 K CB -0.059 32.478 32.500 0.062 0.000 0.723 367 K HN 0.102 nan 8.250 nan 0.000 0.446 368 M N 0.796 120.412 119.600 0.027 0.000 2.106 368 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 368 M C 2.108 178.410 176.300 0.004 0.000 1.068 368 M CA 1.642 56.952 55.300 0.016 0.000 1.100 368 M CB -1.241 31.363 32.600 0.007 0.000 1.351 368 M HN 0.238 nan 8.290 nan 0.000 0.404 369 E N 0.653 120.849 120.200 -0.006 0.000 2.233 369 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 369 E C 1.845 178.435 176.600 -0.016 0.000 1.004 369 E CA 1.339 57.726 56.400 -0.021 0.000 0.819 369 E CB -0.173 29.505 29.700 -0.037 0.000 0.738 369 E HN 0.595 nan 8.360 nan 0.000 0.478 370 L N -1.825 119.402 121.223 0.007 0.000 2.467 370 L HA 0.089 4.429 4.340 -0.000 0.000 0.213 370 L C 1.875 178.733 176.870 -0.020 0.000 1.053 370 L CA 0.156 54.997 54.840 0.003 0.000 0.847 370 L CB 0.226 42.316 42.059 0.051 0.000 1.075 370 L HN -0.053 nan 8.230 nan 0.000 0.479 371 V N -0.144 119.778 119.914 0.013 0.000 3.306 371 V HA -0.017 4.103 4.120 -0.000 0.000 0.264 371 V C 1.431 177.526 176.094 0.002 0.000 1.149 371 V CA 0.173 62.483 62.300 0.015 0.000 1.143 371 V CB -0.729 31.128 31.823 0.057 0.000 0.767 371 V HN 0.320 nan 8.190 nan 0.000 0.476 372 R N 1.831 122.328 120.500 -0.005 0.000 2.697 372 R HA -0.105 4.235 4.340 -0.000 0.000 0.265 372 R C 1.734 178.032 176.300 -0.004 0.000 1.009 372 R CA 0.538 56.637 56.100 -0.003 0.000 1.099 372 R CB 0.051 30.345 30.300 -0.011 0.000 0.965 372 R HN 0.358 nan 8.270 nan 0.000 0.428 373 N N 2.264 120.972 118.700 0.013 0.000 2.120 373 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 373 N C 0.630 176.160 175.510 0.033 0.000 1.024 373 N CA 1.896 54.964 53.050 0.029 0.000 0.852 373 N CB 0.111 38.618 38.487 0.033 0.000 1.003 373 N HN 0.601 nan 8.380 nan 0.000 0.424 374 E N 0.756 120.969 120.200 0.021 0.000 2.160 374 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 374 E C 1.893 178.511 176.600 0.031 0.000 0.991 374 E CA 1.340 57.756 56.400 0.027 0.000 0.810 374 E CB -0.328 29.374 29.700 0.003 0.000 0.742 374 E HN 0.490 nan 8.360 nan 0.000 0.466 375 A N 0.559 123.378 122.820 -0.002 0.000 1.843 375 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 375 A C 2.181 179.758 177.584 -0.012 0.000 1.202 375 A CA 0.926 52.951 52.037 -0.020 0.000 0.607 375 A CB -0.679 18.285 19.000 -0.060 0.000 0.847 375 A HN 0.177 nan 8.150 nan 0.000 0.445 376 L N 0.226 121.396 121.223 -0.087 0.000 2.079 376 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 376 L C 2.401 179.263 176.870 -0.012 0.000 1.081 376 L CA 1.392 56.116 54.840 -0.193 0.000 0.752 376 L CB -0.725 41.214 42.059 -0.200 0.000 0.896 376 L HN 0.505 nan 8.230 nan 0.000 0.433 377 N N -0.309 118.448 118.700 0.094 0.000 2.443 377 N HA -0.244 4.496 4.740 -0.000 0.000 0.184 377 N C 1.707 177.327 175.510 0.184 0.000 1.037 377 N CA 1.105 54.277 53.050 0.204 0.000 0.896 377 N CB 0.094 38.708 38.487 0.213 0.000 0.959 377 N HN 0.423 nan 8.380 nan 0.000 0.442 378 Y N 0.675 120.979 120.300 0.007 0.000 2.389 378 Y HA 0.175 4.725 4.550 -0.000 0.000 0.292 378 Y C 2.066 177.939 175.900 -0.045 0.000 1.117 378 Y CA 0.626 58.711 58.100 -0.026 0.000 1.195 378 Y CB -0.215 38.193 38.460 -0.086 0.000 1.076 378 Y HN -0.060 nan 8.280 nan 0.000 0.548 379 L N -0.921 120.174 121.223 -0.214 0.000 2.156 379 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 379 L C 2.153 178.954 176.870 -0.116 0.000 1.095 379 L CA 0.780 55.485 54.840 -0.226 0.000 0.770 379 L CB -0.653 41.309 42.059 -0.162 0.000 0.914 379 L HN 0.094 nan 8.230 nan 0.000 0.439 380 V N -0.761 119.136 119.914 -0.028 0.000 2.453 380 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 380 V C 2.565 178.580 176.094 -0.131 0.000 1.048 380 V CA 1.283 63.591 62.300 0.014 0.000 1.049 380 V CB -0.450 31.433 31.823 0.101 0.000 0.672 380 V HN 0.432 nan 8.190 nan 0.000 0.457 381 Q N 0.684 120.378 119.800 -0.178 0.000 2.050 381 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 381 Q C 2.525 178.392 176.000 -0.222 0.000 0.980 381 Q CA 2.351 58.032 55.803 -0.203 0.000 0.840 381 Q CB -0.933 27.722 28.738 -0.139 0.000 0.898 381 Q HN 0.834 nan 8.270 nan 0.000 0.424 382 T N -1.079 113.276 114.554 -0.332 0.000 2.962 382 T HA -0.030 4.319 4.350 -0.000 0.000 0.270 382 T C 1.800 176.404 174.700 -0.159 0.000 1.088 382 T CA 0.593 62.526 62.100 -0.277 0.000 1.127 382 T CB -0.219 68.413 68.868 -0.394 0.000 0.883 382 T HN 0.128 nan 8.240 nan 0.000 0.493 383 L N 0.852 121.997 121.223 -0.130 0.000 2.591 383 L HA 0.313 4.653 4.340 -0.000 0.000 0.228 383 L C 1.893 178.715 176.870 -0.082 0.000 1.133 383 L CA 0.249 55.041 54.840 -0.079 0.000 0.880 383 L CB -0.740 41.304 42.059 -0.025 0.000 1.033 383 L HN 0.562 nan 8.230 nan 0.000 0.450 384 G N 0.442 109.179 108.800 -0.104 0.000 2.321 384 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.287 384 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.287 384 G C 0.818 175.657 174.900 -0.102 0.000 1.018 384 G CA 0.536 45.577 45.100 -0.098 0.000 0.855 384 G HN 0.392 nan 8.290 nan 0.000 0.507 385 L N -0.812 120.338 121.223 -0.122 0.000 2.127 385 L HA 0.047 4.387 4.340 -0.000 0.000 0.203 385 L C 0.480 177.245 176.870 -0.175 0.000 1.080 385 L CA 1.004 55.786 54.840 -0.097 0.000 0.768 385 L CB -0.844 41.191 42.059 -0.040 0.000 0.924 385 L HN 0.133 nan 8.230 nan 0.000 0.444 386 P HA -0.228 nan 4.420 nan 0.000 0.216 386 P C 1.266 178.452 177.300 -0.189 0.000 1.154 386 P CA 1.325 64.077 63.100 -0.579 0.000 0.865 386 P CB 0.058 31.282 31.700 -0.793 0.000 0.789 387 Q N -0.932 118.815 119.800 -0.089 0.000 2.124 387 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 387 Q C 2.102 178.196 176.000 0.157 0.000 0.977 387 Q CA 1.311 57.140 55.803 0.044 0.000 0.850 387 Q CB -1.051 27.720 28.738 0.056 0.000 0.901 387 Q HN 0.296 nan 8.270 nan 0.000 0.429 388 L N -0.367 120.901 121.223 0.075 0.000 2.240 388 L HA 0.170 4.510 4.340 -0.000 0.000 0.211 388 L C 0.813 177.789 176.870 0.178 0.000 1.106 388 L CA -0.087 54.795 54.840 0.071 0.000 0.793 388 L CB -0.598 41.332 42.059 -0.216 0.000 0.927 388 L HN 0.027 nan 8.230 nan 0.000 0.446 389 A N 1.165 124.073 122.820 0.146 0.000 2.520 389 A HA 0.219 4.539 4.320 -0.000 0.000 0.245 389 A C -0.038 177.752 177.584 0.344 0.000 1.072 389 A CA 0.313 52.510 52.037 0.267 0.000 0.761 389 A CB 0.157 19.308 19.000 0.251 0.000 1.004 389 A HN 0.271 nan 8.150 nan 0.000 0.499 390 E N 1.238 121.688 120.200 0.416 0.000 2.340 390 E HA 0.761 5.111 4.350 -0.000 0.000 0.273 390 E C -1.063 175.782 176.600 0.409 0.000 0.891 390 E CA -0.549 56.030 56.400 0.298 0.000 0.757 390 E CB 1.229 31.100 29.700 0.284 0.000 1.231 390 E HN 1.072 nan 8.360 nan 0.000 0.439 391 F N 0.193 120.229 119.950 0.143 0.000 2.804 391 F HA 0.373 4.900 4.527 -0.000 0.000 0.320 391 F C -1.344 174.506 175.800 0.083 0.000 1.135 391 F CA -0.911 57.154 58.000 0.108 0.000 0.947 391 F CB 0.313 39.380 39.000 0.110 0.000 1.260 391 F HN 0.280 nan 8.300 nan 0.000 0.447 392 S N 1.752 117.538 115.700 0.144 0.000 2.465 392 S HA 0.188 4.658 4.470 -0.000 0.000 0.279 392 S C 0.468 175.218 174.600 0.250 0.000 1.201 392 S CA -0.318 57.914 58.200 0.053 0.000 1.053 392 S CB 0.661 63.903 63.200 0.070 0.000 0.953 392 S HN 0.932 nan 8.310 nan 0.000 0.488 393 N N 3.312 122.109 118.700 0.161 0.000 2.893 393 N HA -0.156 4.584 4.740 -0.000 0.000 0.214 393 N C -0.829 174.822 175.510 0.235 0.000 1.753 393 N CA 0.208 53.490 53.050 0.387 0.000 0.970 393 N CB -0.842 37.774 38.487 0.216 0.000 1.373 393 N HN 0.538 nan 8.380 nan 0.000 0.519 394 N N 0.895 119.717 118.700 0.204 0.000 2.976 394 N HA 0.299 5.039 4.740 -0.000 0.000 0.255 394 N C -0.349 175.212 175.510 0.084 0.000 1.312 394 N CA -0.338 52.776 53.050 0.107 0.000 0.897 394 N CB 0.907 39.441 38.487 0.079 0.000 1.184 394 N HN 0.441 nan 8.380 nan 0.000 0.497 399 S N 1.326 116.972 115.700 -0.090 0.000 2.622 399 S HA 0.224 4.694 4.470 -0.000 0.000 0.236 399 S C 0.407 174.942 174.600 -0.109 0.000 0.956 399 S CA -0.180 57.970 58.200 -0.084 0.000 0.971 399 S CB 0.080 63.248 63.200 -0.053 0.000 0.782 399 S HN 0.019 nan 8.310 nan 0.000 0.468 400 K N 1.888 122.191 120.400 -0.163 0.000 2.436 400 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 400 K C -0.422 176.047 176.600 -0.218 0.000 0.999 400 K CA 0.623 56.783 56.287 -0.211 0.000 0.980 400 K CB 0.378 32.682 32.500 -0.326 0.000 0.919 400 K HN 0.256 nan 8.250 nan 0.000 0.484 401 T N 2.870 117.344 114.554 -0.133 0.000 2.916 401 T HA 0.214 4.564 4.350 -0.000 0.000 0.305 401 T C 0.421 175.200 174.700 0.131 0.000 1.119 401 T CA -0.688 61.348 62.100 -0.108 0.000 1.008 401 T CB 0.563 69.422 68.868 -0.014 0.000 1.129 401 T HN 0.712 nan 8.240 nan 0.000 0.480 402 W N 1.259 122.610 121.300 0.085 0.000 2.354 402 W HA -0.075 4.585 4.660 0.001 0.000 0.315 402 W C 2.647 179.260 176.519 0.156 0.000 1.206 402 W CA 0.567 57.986 57.345 0.124 0.000 1.290 402 W CB -0.278 29.247 29.460 0.107 0.000 1.152 402 W HN 0.869 nan 8.180 nan 0.000 0.489 403 A N 1.170 124.222 122.820 0.386 0.000 1.985 403 A HA -0.343 3.977 4.320 -0.000 0.000 0.223 403 A C 1.453 179.212 177.584 0.293 0.000 1.189 403 A CA 2.574 54.774 52.037 0.272 0.000 0.658 403 A CB -1.076 18.024 19.000 0.167 0.000 0.820 403 A HN 0.301 nan 8.150 nan 0.000 0.464 404 D N -0.422 120.159 120.400 0.301 0.000 2.133 404 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 404 D C 1.912 178.410 176.300 0.329 0.000 0.997 404 D CA 1.585 55.785 54.000 0.333 0.000 0.840 404 D CB -0.475 40.581 40.800 0.428 0.000 0.947 404 D HN 0.566 nan 8.370 nan 0.000 0.452 405 M N -0.704 119.149 119.600 0.421 0.000 2.149 405 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 405 M C 2.129 178.510 176.300 0.135 0.000 1.064 405 M CA 1.222 56.693 55.300 0.284 0.000 1.102 405 M CB -0.374 32.444 32.600 0.364 0.000 1.369 405 M HN 0.077 nan 8.290 nan 0.000 0.408 406 Y N 1.441 121.808 120.300 0.112 0.000 2.097 406 Y HA -0.277 4.273 4.550 0.000 0.000 0.282 406 Y C 2.130 178.062 175.900 0.053 0.000 1.152 406 Y CA 2.130 60.300 58.100 0.115 0.000 1.136 406 Y CB -0.170 38.378 38.460 0.146 0.000 0.975 406 Y HN 0.265 nan 8.280 nan 0.000 0.498 407 E N -0.461 119.875 120.200 0.227 0.000 2.153 407 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 407 E C 2.139 178.676 176.600 -0.104 0.000 0.988 407 E CA 0.993 57.447 56.400 0.090 0.000 0.811 407 E CB -0.170 29.598 29.700 0.114 0.000 0.746 407 E HN 0.460 nan 8.360 nan 0.000 0.466 408 E N 1.118 121.189 120.200 -0.215 0.000 2.031 408 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 408 E C 2.055 178.462 176.600 -0.321 0.000 0.994 408 E CA 0.932 57.085 56.400 -0.411 0.000 0.800 408 E CB -0.025 29.125 29.700 -0.917 0.000 0.752 408 E HN 0.147 nan 8.360 nan 0.000 0.447 409 I N 0.691 121.053 120.570 -0.346 0.000 2.151 409 I HA -0.276 3.893 4.170 -0.000 0.000 0.243 409 I C 2.595 178.399 176.117 -0.521 0.000 1.080 409 I CA 0.785 61.787 61.300 -0.496 0.000 1.339 409 I CB -0.752 36.767 38.000 -0.802 0.000 1.039 409 I HN -0.036 nan 8.210 nan 0.000 0.409 410 V N 0.574 120.213 119.914 -0.459 0.000 2.287 410 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 410 V C 2.543 178.549 176.094 -0.146 0.000 1.053 410 V CA 2.156 64.288 62.300 -0.280 0.000 1.027 410 V CB -1.670 30.084 31.823 -0.115 0.000 0.646 410 V HN 0.574 nan 8.190 nan 0.000 0.447 411 G N -1.516 107.195 108.800 -0.149 0.000 2.448 411 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 411 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 411 G C 1.880 176.759 174.900 -0.034 0.000 1.127 411 G CA 1.198 46.236 45.100 -0.103 0.000 0.766 411 G HN 0.491 nan 8.290 nan 0.000 0.552 412 S N -0.270 115.377 115.700 -0.088 0.000 2.406 412 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 412 S C 2.345 176.934 174.600 -0.019 0.000 1.030 412 S CA 0.161 58.337 58.200 -0.041 0.000 0.958 412 S CB -0.122 63.040 63.200 -0.063 0.000 0.811 412 S HN 0.192 nan 8.310 nan 0.000 0.489 413 I N 1.042 121.564 120.570 -0.080 0.000 2.179 413 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 413 I C 2.080 178.238 176.117 0.069 0.000 1.088 413 I CA 1.285 62.556 61.300 -0.049 0.000 1.357 413 I CB -1.438 36.498 38.000 -0.107 0.000 1.051 413 I HN 0.341 nan 8.210 nan 0.000 0.409 414 F N 2.485 122.408 119.950 -0.045 0.000 2.095 414 F HA -0.276 4.251 4.527 0.000 0.000 0.298 414 F C 2.723 178.529 175.800 0.011 0.000 1.104 414 F CA 2.269 60.265 58.000 -0.006 0.000 1.232 414 F CB -0.455 38.533 39.000 -0.021 0.000 0.987 414 F HN 0.167 nan 8.300 nan 0.000 0.475 415 T N -2.045 112.578 114.554 0.115 0.000 3.148 415 T HA 0.278 4.628 4.350 -0.000 0.000 0.253 415 T C 1.197 175.917 174.700 0.033 0.000 1.134 415 T CA 0.294 62.431 62.100 0.060 0.000 1.051 415 T CB -0.938 68.026 68.868 0.161 0.000 0.959 415 T HN 0.280 nan 8.240 nan 0.000 0.525 416 G N 2.180 110.993 108.800 0.021 0.000 2.557 416 G HA2 0.470 4.430 3.960 -0.000 0.000 0.292 416 G HA3 0.470 4.430 3.960 -0.000 0.000 0.292 416 G C -1.360 173.540 174.900 0.001 0.000 1.237 416 G CA -1.501 43.615 45.100 0.027 0.000 0.978 416 G HN 0.060 nan 8.290 nan 0.000 0.498 417 P HA -0.043 nan 4.420 nan 0.000 0.234 417 P C 0.685 177.996 177.300 0.019 0.000 1.167 417 P CA 0.591 63.698 63.100 0.012 0.000 0.763 417 P CB 0.349 32.061 31.700 0.021 0.000 0.835 418 N N -0.126 118.589 118.700 0.026 0.000 2.415 418 N HA 0.021 4.761 4.740 -0.000 0.000 0.176 418 N C 1.536 177.097 175.510 0.085 0.000 1.042 418 N CA 1.118 54.205 53.050 0.062 0.000 0.902 418 N CB -0.480 38.043 38.487 0.061 0.000 0.986 418 N HN 0.153 nan 8.380 nan 0.000 0.447 419 G N 2.207 111.008 108.800 0.001 0.000 2.574 419 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.295 419 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.295 419 G C 0.975 175.924 174.900 0.082 0.000 1.300 419 G CA 0.305 45.344 45.100 -0.103 0.000 0.944 419 G HN 0.326 nan 8.290 nan 0.000 0.551 420 I N -0.658 119.961 120.570 0.081 0.000 2.248 420 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 420 I C 2.508 178.765 176.117 0.235 0.000 1.107 420 I CA 2.473 63.960 61.300 0.311 0.000 1.373 420 I CB -0.192 37.990 38.000 0.303 0.000 1.055 420 I HN 0.610 nan 8.210 nan 0.000 0.418 421 Y N 0.479 120.876 120.300 0.162 0.000 2.315 421 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 421 Y C 2.447 178.452 175.900 0.175 0.000 1.154 421 Y CA 0.901 59.098 58.100 0.162 0.000 1.229 421 Y CB -0.403 38.127 38.460 0.117 0.000 0.980 421 Y HN 0.302 nan 8.280 nan 0.000 0.540 422 G N -1.152 107.831 108.800 0.305 0.000 2.404 422 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.213 422 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.213 422 G C 1.626 176.673 174.900 0.246 0.000 1.189 422 G CA 0.920 46.154 45.100 0.224 0.000 0.796 422 G HN 0.437 nan 8.290 nan 0.000 0.532 423 C N 0.948 120.395 119.300 0.245 0.000 2.398 423 C HA -0.051 4.409 4.460 -0.000 0.000 0.276 423 C C 2.706 177.886 174.990 0.317 0.000 1.222 423 C CA 1.092 60.264 59.018 0.256 0.000 1.746 423 C CB -1.106 26.784 27.740 0.249 0.000 2.039 423 C HN 0.570 nan 8.230 nan 0.000 0.470 424 E N 0.754 121.136 120.200 0.304 0.000 2.058 424 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 424 E C 2.164 178.948 176.600 0.307 0.000 0.997 424 E CA 1.539 58.120 56.400 0.302 0.000 0.801 424 E CB -0.305 29.575 29.700 0.300 0.000 0.746 424 E HN 0.753 nan 8.360 nan 0.000 0.450 425 E N 0.467 120.888 120.200 0.367 0.000 2.015 425 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 425 E C 1.980 178.831 176.600 0.417 0.000 0.991 425 E CA 0.874 57.571 56.400 0.495 0.000 0.802 425 E CB -0.216 29.743 29.700 0.432 0.000 0.759 425 E HN 0.185 nan 8.360 nan 0.000 0.447 426 F N 1.571 121.616 119.950 0.158 0.000 2.087 426 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 426 F C 1.953 177.795 175.800 0.069 0.000 1.100 426 F CA 1.708 59.738 58.000 0.050 0.000 1.226 426 F CB -0.402 38.567 39.000 -0.050 0.000 0.983 426 F HN 0.050 nan 8.300 nan 0.000 0.479 427 L N -0.186 121.106 121.223 0.115 0.000 1.970 427 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 427 L C 2.866 179.656 176.870 -0.132 0.000 1.071 427 L CA 1.464 56.322 54.840 0.030 0.000 0.751 427 L CB -1.306 40.884 42.059 0.219 0.000 0.889 427 L HN 0.259 nan 8.230 nan 0.000 0.432 428 A N 0.205 122.973 122.820 -0.086 0.000 1.873 428 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 428 A C 2.260 179.712 177.584 -0.219 0.000 1.193 428 A CA 2.270 54.122 52.037 -0.309 0.000 0.629 428 A CB -0.536 18.126 19.000 -0.563 0.000 0.826 428 A HN 0.391 nan 8.150 nan 0.000 0.447 429 K N -0.689 119.736 120.400 0.043 0.000 1.977 429 K HA -0.175 4.145 4.320 -0.000 0.000 0.218 429 K C 2.322 178.800 176.600 -0.203 0.000 1.051 429 K CA 2.191 58.474 56.287 -0.007 0.000 0.953 429 K CB -0.955 31.528 32.500 -0.028 0.000 0.727 429 K HN 0.723 nan 8.250 nan 0.000 0.445 430 T N 1.100 115.490 114.554 -0.273 0.000 2.652 430 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 430 T C 2.061 176.690 174.700 -0.118 0.000 1.039 430 T CA 1.319 63.279 62.100 -0.233 0.000 1.153 430 T CB -0.707 67.955 68.868 -0.342 0.000 0.863 430 T HN 0.104 nan 8.240 nan 0.000 0.428 431 L N -0.234 120.868 121.223 -0.202 0.000 2.191 431 L HA 0.152 4.492 4.340 -0.000 0.000 0.212 431 L C 0.953 177.685 176.870 -0.229 0.000 1.103 431 L CA 0.907 55.632 54.840 -0.192 0.000 0.769 431 L CB -0.569 41.254 42.059 -0.393 0.000 0.908 431 L HN 0.361 nan 8.230 nan 0.000 0.438 432 M N -1.103 118.191 119.600 -0.511 0.000 2.326 432 M HA 0.424 4.904 4.480 -0.000 0.000 0.306 432 M C -0.478 175.390 176.300 -0.720 0.000 1.054 432 M CA 0.040 54.881 55.300 -0.764 0.000 0.922 432 M CB 2.406 34.407 32.600 -0.998 0.000 1.632 432 M HN -0.135 nan 8.290 nan 0.000 0.436 433 S N 2.136 117.279 115.700 -0.927 0.000 2.558 433 S HA 0.531 5.001 4.470 -0.000 0.000 0.277 433 S C -2.524 171.773 174.600 -0.505 0.000 1.143 433 S CA -0.967 56.804 58.200 -0.715 0.000 0.865 433 S CB 1.700 64.439 63.200 -0.769 0.000 1.102 433 S HN 0.542 nan 8.310 nan 0.000 0.454 434 P HA -0.004 nan 4.420 nan 0.000 0.226 434 P C 0.744 178.002 177.300 -0.070 0.000 1.153 434 P CA 0.864 63.877 63.100 -0.145 0.000 0.777 434 P CB 0.144 31.777 31.700 -0.112 0.000 0.794 435 E N -0.133 120.016 120.200 -0.085 0.000 2.511 435 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 435 E C 1.332 178.073 176.600 0.234 0.000 1.066 435 E CA 0.552 56.984 56.400 0.054 0.000 0.871 435 E CB -1.065 28.665 29.700 0.051 0.000 0.863 435 E HN 0.436 nan 8.360 nan 0.000 0.520 436 H N -1.277 117.810 119.070 0.029 0.000 2.553 436 H HA 0.208 4.764 4.556 0.000 0.000 0.265 436 H C 0.146 175.476 175.328 0.003 0.000 0.964 436 H CA 0.159 56.227 56.048 0.034 0.000 1.156 436 H CB 0.583 30.348 29.762 0.004 0.000 1.411 436 H HN 0.088 nan 8.280 nan 0.000 0.558 437 S N 0.648 116.423 115.700 0.126 0.000 2.638 437 S HA 0.488 4.958 4.470 -0.000 0.000 0.302 437 S C -0.407 174.226 174.600 0.055 0.000 1.096 437 S CA -1.191 57.053 58.200 0.073 0.000 0.953 437 S CB 2.839 66.081 63.200 0.069 0.000 1.107 437 S HN 0.115 nan 8.310 nan 0.000 0.503 438 K N -0.101 120.321 120.400 0.037 0.000 2.419 438 K HA 0.917 5.237 4.320 -0.000 0.000 0.246 438 K C 0.129 176.748 176.600 0.032 0.000 1.037 438 K CA -0.625 55.681 56.287 0.032 0.000 0.982 438 K CB 0.157 32.668 32.500 0.019 0.000 1.283 438 K HN 0.799 nan 8.250 nan 0.000 0.500 444 C N 0.603 119.922 119.300 0.031 0.000 2.994 444 C HA 0.941 5.401 4.460 -0.000 0.000 0.304 444 C C -2.276 172.655 174.990 -0.097 0.000 1.273 444 C CA -1.023 57.969 59.018 -0.043 0.000 1.537 444 C CB 1.010 28.632 27.740 -0.197 0.000 2.001 444 C HN 1.028 nan 8.230 nan 0.000 0.471 445 P HA 0.204 nan 4.420 nan 0.000 0.281 445 P C -0.018 177.217 177.300 -0.109 0.000 1.274 445 P CA 0.412 63.452 63.100 -0.101 0.000 0.794 445 P CB 0.693 32.333 31.700 -0.100 0.000 1.201 446 D N -0.873 119.483 120.400 -0.074 0.000 2.269 446 D HA -0.003 4.637 4.640 -0.000 0.000 0.220 446 D C 2.011 178.268 176.300 -0.071 0.000 0.962 446 D CA 1.288 55.250 54.000 -0.062 0.000 0.884 446 D CB -0.741 40.037 40.800 -0.037 0.000 1.023 446 D HN 0.389 nan 8.370 nan 0.000 0.484 447 A N 1.157 123.940 122.820 -0.062 0.000 1.997 447 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 447 A C 2.450 179.985 177.584 -0.082 0.000 1.172 447 A CA 1.406 53.413 52.037 -0.049 0.000 0.645 447 A CB -0.667 18.316 19.000 -0.028 0.000 0.813 447 A HN 0.151 nan 8.150 nan 0.000 0.454 448 V N -1.136 118.687 119.914 -0.151 0.000 2.302 448 V HA -0.161 3.959 4.120 -0.000 0.000 0.243 448 V C 2.672 178.666 176.094 -0.167 0.000 1.036 448 V CA 2.239 64.413 62.300 -0.210 0.000 1.020 448 V CB -1.282 30.281 31.823 -0.433 0.000 0.657 448 V HN 0.565 nan 8.190 nan 0.000 0.453 449 T N 0.109 114.572 114.554 -0.150 0.000 2.665 449 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 449 T C 1.913 176.562 174.700 -0.084 0.000 1.035 449 T CA 1.806 63.843 62.100 -0.106 0.000 1.151 449 T CB -0.266 68.554 68.868 -0.081 0.000 0.862 449 T HN 0.442 nan 8.240 nan 0.000 0.438 450 K N 0.885 121.241 120.400 -0.072 0.000 2.097 450 K HA 0.102 4.422 4.320 -0.000 0.000 0.205 450 K C 2.639 179.196 176.600 -0.071 0.000 1.050 450 K CA 1.030 57.284 56.287 -0.056 0.000 0.938 450 K CB -0.224 32.255 32.500 -0.035 0.000 0.718 450 K HN 0.295 nan 8.250 nan 0.000 0.442 451 A N 1.094 123.861 122.820 -0.088 0.000 2.015 451 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 451 A C 2.164 179.642 177.584 -0.176 0.000 1.163 451 A CA 1.495 53.460 52.037 -0.120 0.000 0.646 451 A CB -0.318 18.614 19.000 -0.115 0.000 0.806 451 A HN 0.133 nan 8.150 nan 0.000 0.448 452 S N 0.054 115.663 115.700 -0.151 0.000 2.343 452 S HA -0.155 4.315 4.470 -0.000 0.000 0.219 452 S C 1.970 176.487 174.600 -0.138 0.000 1.033 452 S CA 1.661 59.768 58.200 -0.154 0.000 1.014 452 S CB -0.256 62.883 63.200 -0.101 0.000 0.915 452 S HN 0.664 nan 8.310 nan 0.000 0.435 453 K N 1.153 121.496 120.400 -0.094 0.000 2.009 453 K HA -0.070 4.250 4.320 -0.000 0.000 0.210 453 K C 2.366 178.918 176.600 -0.080 0.000 1.049 453 K CA 1.222 57.468 56.287 -0.068 0.000 0.929 453 K CB -0.270 32.202 32.500 -0.047 0.000 0.714 453 K HN 0.194 nan 8.250 nan 0.000 0.440 454 R N 0.709 121.157 120.500 -0.086 0.000 2.133 454 R HA -0.170 4.170 4.340 -0.000 0.000 0.247 454 R C 2.329 178.565 176.300 -0.107 0.000 1.151 454 R CA 1.582 57.634 56.100 -0.079 0.000 0.971 454 R CB -0.641 29.614 30.300 -0.075 0.000 0.866 454 R HN 0.056 nan 8.270 nan 0.000 0.447 455 V N 0.158 119.949 119.914 -0.206 0.000 2.323 455 V HA -0.266 3.854 4.120 -0.000 0.000 0.244 455 V C 2.374 178.324 176.094 -0.240 0.000 1.041 455 V CA 1.570 63.669 62.300 -0.336 0.000 1.025 455 V CB -0.439 30.968 31.823 -0.694 0.000 0.656 455 V HN 0.485 nan 8.190 nan 0.000 0.451 456 C N 0.996 120.206 119.300 -0.149 0.000 2.393 456 C HA -0.149 4.311 4.460 -0.000 0.000 0.292 456 C C 1.798 176.812 174.990 0.040 0.000 1.347 456 C CA 1.199 60.219 59.018 0.003 0.000 1.810 456 C CB -1.439 26.305 27.740 0.006 0.000 1.899 456 C HN 0.686 nan 8.230 nan 0.000 0.532 457 M N -1.255 118.347 119.600 0.003 0.000 3.114 457 M HA 0.366 4.846 4.480 -0.000 0.000 0.386 457 M C 1.048 177.362 176.300 0.023 0.000 1.417 457 M CA 0.474 55.785 55.300 0.019 0.000 0.785 457 M CB -0.391 32.210 32.600 0.002 0.000 1.413 457 M HN 0.204 nan 8.290 nan 0.000 0.498 458 G N 1.761 110.589 108.800 0.047 0.000 2.485 458 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.255 458 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.255 458 G C 0.727 175.649 174.900 0.037 0.000 0.992 458 G CA 1.514 46.651 45.100 0.061 0.000 0.643 458 G HN 0.740 nan 8.290 nan 0.000 0.565 459 E N 1.164 121.371 120.200 0.013 0.000 2.428 459 E HA 0.399 4.749 4.350 -0.000 0.000 0.199 459 E C 1.045 177.643 176.600 -0.003 0.000 1.172 459 E CA 0.306 56.708 56.400 0.004 0.000 0.941 459 E CB -0.456 29.243 29.700 -0.002 0.000 1.001 459 E HN 0.736 nan 8.360 nan 0.000 0.501 460 A N -0.261 122.572 122.820 0.021 0.000 2.324 460 A HA 0.694 5.014 4.320 -0.000 0.000 0.330 460 A C 0.247 177.889 177.584 0.097 0.000 1.165 460 A CA -0.154 51.902 52.037 0.031 0.000 0.813 460 A CB 1.668 20.676 19.000 0.014 0.000 1.197 460 A HN 0.274 nan 8.150 nan 0.000 0.484 461 G N -0.727 108.062 108.800 -0.018 0.000 3.107 461 G HA2 0.553 4.513 3.960 -0.000 0.000 0.232 461 G HA3 0.553 4.513 3.960 -0.000 0.000 0.232 461 G C 0.974 175.854 174.900 -0.034 0.000 1.339 461 G CA 0.247 45.312 45.100 -0.058 0.000 1.033 461 G HN 1.271 nan 8.290 nan 0.000 0.567 462 A N -0.542 122.240 122.820 -0.063 0.000 1.908 462 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 462 A C 1.951 179.581 177.584 0.078 0.000 1.181 462 A CA 2.152 54.184 52.037 -0.009 0.000 0.627 462 A CB -1.172 17.831 19.000 0.005 0.000 0.818 462 A HN 0.848 nan 8.150 nan 0.000 0.445 463 H N -1.238 117.880 119.070 0.081 0.000 2.563 463 H HA 0.136 4.692 4.556 -0.000 0.000 0.272 463 H C 0.919 176.298 175.328 0.085 0.000 1.005 463 H CA 1.309 57.400 56.048 0.072 0.000 1.171 463 H CB 0.020 29.808 29.762 0.043 0.000 1.351 463 H HN 0.571 nan 8.280 nan 0.000 0.602 464 E N -0.260 119.854 120.200 -0.144 0.000 2.372 464 E HA 0.117 4.467 4.350 -0.000 0.000 0.201 464 E C 1.083 177.685 176.600 0.004 0.000 0.938 464 E CA 0.036 56.382 56.400 -0.091 0.000 0.944 464 E CB 0.105 29.672 29.700 -0.220 0.000 0.937 464 E HN 0.260 nan 8.360 nan 0.000 0.495 465 F N 1.034 120.936 119.950 -0.080 0.000 2.179 465 F HA 0.089 4.615 4.527 -0.000 0.000 0.292 465 F C 2.105 177.912 175.800 0.011 0.000 1.089 465 F CA 0.856 58.836 58.000 -0.033 0.000 1.295 465 F CB -0.121 38.868 39.000 -0.017 0.000 1.041 465 F HN -0.157 nan 8.300 nan 0.000 0.487 466 R N 0.133 120.763 120.500 0.217 0.000 2.103 466 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 466 R C 2.229 178.597 176.300 0.113 0.000 1.142 466 R CA 1.892 58.078 56.100 0.144 0.000 0.960 466 R CB -0.822 29.552 30.300 0.123 0.000 0.858 466 R HN 0.235 nan 8.270 nan 0.000 0.439 467 S N 1.209 116.969 115.700 0.100 0.000 2.382 467 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 467 S C 2.003 176.651 174.600 0.079 0.000 1.027 467 S CA 1.023 59.272 58.200 0.081 0.000 0.991 467 S CB -0.248 62.987 63.200 0.058 0.000 0.823 467 S HN 0.224 nan 8.310 nan 0.000 0.469 468 L N 1.078 122.324 121.223 0.039 0.000 2.141 468 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 468 L C 2.295 179.222 176.870 0.096 0.000 1.094 468 L CA 0.729 55.585 54.840 0.026 0.000 0.763 468 L CB -0.566 41.428 42.059 -0.108 0.000 0.908 468 L HN 0.225 nan 8.230 nan 0.000 0.437 469 V N -0.443 119.531 119.914 0.100 0.000 2.488 469 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 469 V C 1.745 177.891 176.094 0.087 0.000 1.046 469 V CA 1.703 64.060 62.300 0.095 0.000 1.053 469 V CB -0.401 31.474 31.823 0.087 0.000 0.679 469 V HN 0.378 nan 8.190 nan 0.000 0.458 470 D N -0.862 119.598 120.400 0.099 0.000 2.117 470 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 470 D C 1.943 178.304 176.300 0.103 0.000 0.982 470 D CA 1.234 55.286 54.000 0.088 0.000 0.828 470 D CB -0.236 40.618 40.800 0.090 0.000 0.967 470 D HN 0.554 nan 8.370 nan 0.000 0.464 471 Y N 0.706 121.019 120.300 0.023 0.000 2.439 471 Y HA 0.042 4.593 4.550 0.000 0.000 0.292 471 Y C 1.885 177.800 175.900 0.025 0.000 1.130 471 Y CA 0.918 59.030 58.100 0.020 0.000 1.254 471 Y CB 0.061 38.529 38.460 0.013 0.000 1.000 471 Y HN -0.048 nan 8.280 nan 0.000 0.554 472 A N -2.195 120.688 122.820 0.106 0.000 2.195 472 A HA -0.001 4.319 4.320 -0.000 0.000 0.210 472 A C 2.041 179.630 177.584 0.008 0.000 1.165 472 A CA 0.793 52.861 52.037 0.052 0.000 0.806 472 A CB -1.208 17.863 19.000 0.118 0.000 0.847 472 A HN 0.587 nan 8.150 nan 0.000 0.482 473 C N -0.318 118.984 119.300 0.004 0.000 2.551 473 C HA 0.163 4.623 4.460 -0.000 0.000 0.277 473 C C 1.382 176.351 174.990 -0.034 0.000 1.349 473 C CA 0.762 59.780 59.018 -0.000 0.000 1.750 473 C CB -0.471 27.279 27.740 0.017 0.000 2.058 473 C HN 0.565 nan 8.230 nan 0.000 0.518 474 E N -0.138 120.014 120.200 -0.080 0.000 2.499 474 E HA 0.126 4.476 4.350 -0.000 0.000 0.199 474 E C 1.066 177.551 176.600 -0.192 0.000 1.016 474 E CA 0.141 56.479 56.400 -0.104 0.000 0.933 474 E CB -0.018 29.639 29.700 -0.071 0.000 1.050 474 E HN 0.650 nan 8.360 nan 0.000 0.462 475 Q N -0.483 119.177 119.800 -0.233 0.000 2.214 475 Q HA 0.147 4.487 4.340 -0.000 0.000 0.229 475 Q C 0.574 176.500 176.000 -0.123 0.000 0.835 475 Q CA 0.352 55.995 55.803 -0.267 0.000 0.953 475 Q CB 1.348 29.803 28.738 -0.471 0.000 1.131 475 Q HN 0.383 nan 8.270 nan 0.000 0.501 476 G N 2.271 111.028 108.800 -0.071 0.000 2.198 476 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 476 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 476 G C 0.146 175.051 174.900 0.008 0.000 1.042 476 G CA 0.068 45.155 45.100 -0.022 0.000 0.791 476 G HN 0.313 nan 8.290 nan 0.000 0.502 477 I N 1.567 122.149 120.570 0.020 0.000 2.618 477 I HA 0.326 4.496 4.170 -0.000 0.000 0.284 477 I C 0.934 177.120 176.117 0.114 0.000 1.146 477 I CA 0.723 62.060 61.300 0.062 0.000 1.425 477 I CB 0.925 38.971 38.000 0.078 0.000 1.383 477 I HN 0.408 nan 8.210 nan 0.000 0.562 478 S N 5.248 121.020 115.700 0.121 0.000 2.557 478 S HA 0.515 4.985 4.470 -0.000 0.000 0.291 478 S C -0.079 174.628 174.600 0.178 0.000 1.116 478 S CA -0.755 57.549 58.200 0.175 0.000 0.992 478 S CB 1.932 65.208 63.200 0.127 0.000 1.028 478 S HN 0.525 nan 8.310 nan 0.000 0.484 479 V N -1.179 118.871 119.914 0.226 0.000 3.159 479 V HA 0.599 4.719 4.120 -0.000 0.000 0.333 479 V C -0.927 175.106 176.094 -0.101 0.000 1.424 479 V CA -0.291 62.012 62.300 0.004 0.000 1.125 479 V CB -1.210 30.515 31.823 -0.163 0.000 1.075 479 V HN 0.651 nan 8.190 nan 0.000 0.482 480 F N 0.008 120.013 119.950 0.092 0.000 2.546 480 F HA 0.538 5.065 4.527 0.000 0.000 0.320 480 F C 1.703 177.517 175.800 0.024 0.000 1.076 480 F CA -0.565 57.482 58.000 0.078 0.000 0.928 480 F CB 1.470 40.430 39.000 -0.067 0.000 1.189 480 F HN 0.150 nan 8.300 nan 0.000 0.465 481 C N -1.359 117.949 119.300 0.013 0.000 2.421 481 C HA 0.075 4.535 4.460 -0.000 0.000 0.296 481 C C 1.181 176.061 174.990 -0.184 0.000 1.470 481 C CA -0.054 58.769 59.018 -0.324 0.000 1.779 481 C CB -1.874 25.742 27.740 -0.206 0.000 1.715 481 C HN 0.625 nan 8.230 nan 0.000 0.564 482 S N -0.325 115.360 115.700 -0.026 0.000 2.681 482 S HA 0.560 5.030 4.470 -0.000 0.000 0.299 482 S C 0.817 175.407 174.600 -0.017 0.000 1.113 482 S CA -0.080 58.096 58.200 -0.040 0.000 1.013 482 S CB 1.807 64.992 63.200 -0.025 0.000 1.076 482 S HN 0.391 nan 8.310 nan 0.000 0.534 483 S N 1.561 117.236 115.700 -0.041 0.000 2.452 483 S HA 0.140 4.610 4.470 -0.000 0.000 0.225 483 S C 1.855 176.442 174.600 -0.021 0.000 1.057 483 S CA -0.023 58.163 58.200 -0.024 0.000 0.949 483 S CB -0.345 62.831 63.200 -0.041 0.000 0.836 483 S HN 0.748 nan 8.310 nan 0.000 0.518 484 R N 1.494 121.966 120.500 -0.047 0.000 2.075 484 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 484 R C 1.955 178.201 176.300 -0.089 0.000 1.126 484 R CA 1.239 57.300 56.100 -0.064 0.000 0.963 484 R CB -0.460 29.793 30.300 -0.080 0.000 0.858 484 R HN 0.220 nan 8.270 nan 0.000 0.435 485 V N 0.733 120.576 119.914 -0.118 0.000 2.287 485 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 485 V C 2.305 178.250 176.094 -0.250 0.000 1.053 485 V CA 2.182 64.351 62.300 -0.218 0.000 1.027 485 V CB -0.443 31.210 31.823 -0.282 0.000 0.646 485 V HN 0.382 nan 8.190 nan 0.000 0.447 486 S N -0.279 115.361 115.700 -0.100 0.000 2.343 486 S HA -0.224 4.246 4.470 -0.000 0.000 0.219 486 S C 2.099 176.809 174.600 0.184 0.000 1.033 486 S CA 2.022 60.310 58.200 0.146 0.000 1.014 486 S CB -0.608 62.730 63.200 0.230 0.000 0.915 486 S HN 0.671 nan 8.310 nan 0.000 0.435 487 T N 2.943 117.550 114.554 0.088 0.000 2.624 487 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 487 T C 1.843 176.589 174.700 0.077 0.000 1.041 487 T CA 1.384 63.523 62.100 0.066 0.000 1.159 487 T CB -0.393 68.483 68.868 0.014 0.000 0.863 487 T HN 0.250 nan 8.240 nan 0.000 0.434 488 M N -0.132 119.495 119.600 0.045 0.000 2.202 488 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 488 M C 2.128 178.630 176.300 0.337 0.000 1.063 488 M CA 1.336 56.670 55.300 0.057 0.000 1.097 488 M CB -0.705 31.765 32.600 -0.217 0.000 1.382 488 M HN 0.262 nan 8.290 nan 0.000 0.413 489 F N 1.748 121.796 119.950 0.163 0.000 2.051 489 F HA -0.199 4.328 4.527 -0.000 0.000 0.296 489 F C 2.034 177.921 175.800 0.145 0.000 1.122 489 F CA 1.605 59.702 58.000 0.162 0.000 1.201 489 F CB -0.775 38.277 39.000 0.086 0.000 0.978 489 F HN -0.025 nan 8.300 nan 0.000 0.472 490 L N 0.097 121.292 121.223 -0.046 0.000 2.081 490 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 490 L C 2.582 179.388 176.870 -0.107 0.000 1.080 490 L CA 1.713 56.459 54.840 -0.157 0.000 0.754 490 L CB -0.958 41.107 42.059 0.009 0.000 0.893 490 L HN 0.228 nan 8.230 nan 0.000 0.433 491 E N 0.784 120.979 120.200 -0.008 0.000 2.058 491 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 491 E C 2.204 178.811 176.600 0.012 0.000 0.997 491 E CA 1.384 57.796 56.400 0.020 0.000 0.801 491 E CB -0.042 29.691 29.700 0.055 0.000 0.746 491 E HN 0.223 nan 8.360 nan 0.000 0.450 492 R N 0.736 121.253 120.500 0.028 0.000 2.096 492 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 492 R C 2.637 178.888 176.300 -0.082 0.000 1.139 492 R CA 1.519 57.620 56.100 0.001 0.000 0.952 492 R CB -0.981 29.290 30.300 -0.049 0.000 0.854 492 R HN 0.249 nan 8.270 nan 0.000 0.436 493 L N 0.181 121.279 121.223 -0.209 0.000 2.089 493 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 493 L C 2.605 179.453 176.870 -0.036 0.000 1.079 493 L CA 1.820 56.568 54.840 -0.155 0.000 0.758 493 L CB -0.478 41.449 42.059 -0.220 0.000 0.891 493 L HN 0.286 nan 8.230 nan 0.000 0.433 494 R N -0.043 120.443 120.500 -0.024 0.000 2.105 494 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 494 R C 1.697 178.015 176.300 0.030 0.000 1.135 494 R CA 1.544 57.652 56.100 0.014 0.000 0.967 494 R CB -0.371 29.939 30.300 0.017 0.000 0.861 494 R HN 0.476 nan 8.270 nan 0.000 0.442 495 D N 0.409 120.829 120.400 0.033 0.000 2.277 495 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 495 D C 0.732 177.071 176.300 0.065 0.000 0.962 495 D CA 0.686 54.718 54.000 0.054 0.000 0.865 495 D CB 0.119 40.963 40.800 0.072 0.000 0.939 495 D HN 0.206 nan 8.370 nan 0.000 0.510 496 I N 3.743 124.349 120.570 0.060 0.000 2.416 496 I HA 0.083 4.253 4.170 -0.000 0.000 0.288 496 I C -2.007 174.164 176.117 0.091 0.000 1.051 496 I CA -1.775 59.584 61.300 0.098 0.000 1.375 496 I CB 0.938 39.010 38.000 0.120 0.000 1.407 496 I HN -0.284 nan 8.210 nan 0.000 0.516 497 P HA 0.047 nan 4.420 nan 0.000 0.271 497 P C 0.495 177.811 177.300 0.026 0.000 1.233 497 P CA -0.096 63.035 63.100 0.051 0.000 0.764 497 P CB 1.307 33.031 31.700 0.041 0.000 0.825 498 A N 5.626 128.454 122.820 0.013 0.000 1.909 498 A HA -0.264 4.056 4.320 -0.000 0.000 0.221 498 A C 1.857 179.342 177.584 -0.166 0.000 1.223 498 A CA 2.174 54.187 52.037 -0.041 0.000 0.658 498 A CB -1.210 17.792 19.000 0.003 0.000 0.831 498 A HN 0.675 nan 8.150 nan 0.000 0.462 499 E N -0.381 119.747 120.200 -0.120 0.000 2.501 499 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 499 E C 0.182 176.664 176.600 -0.196 0.000 1.072 499 E CA 1.384 57.688 56.400 -0.160 0.000 0.885 499 E CB -0.425 29.219 29.700 -0.094 0.000 0.813 499 E HN 0.620 nan 8.360 nan 0.000 0.556 500 D N 0.068 120.370 120.400 -0.163 0.000 2.392 500 D HA 0.161 4.801 4.640 -0.000 0.000 0.206 500 D C 1.807 177.939 176.300 -0.281 0.000 1.046 500 D CA 0.166 54.047 54.000 -0.199 0.000 0.865 500 D CB 0.014 40.794 40.800 -0.033 0.000 0.969 500 D HN 0.208 nan 8.370 nan 0.000 0.509 501 M N 0.131 119.616 119.600 -0.192 0.000 2.296 501 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 501 M C 1.875 178.062 176.300 -0.190 0.000 1.064 501 M CA 0.670 55.935 55.300 -0.059 0.000 1.109 501 M CB 0.059 32.608 32.600 -0.086 0.000 1.396 501 M HN 0.009 nan 8.290 nan 0.000 0.430 502 L N 0.786 121.693 121.223 -0.526 0.000 2.191 502 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 502 L C 1.654 178.520 176.870 -0.007 0.000 1.103 502 L CA 1.878 56.603 54.840 -0.192 0.000 0.769 502 L CB -0.652 41.266 42.059 -0.236 0.000 0.908 502 L HN 0.218 nan 8.230 nan 0.000 0.438 503 D N -1.308 118.962 120.400 -0.217 0.000 2.149 503 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 503 D C 1.990 178.186 176.300 -0.174 0.000 0.972 503 D CA 1.492 55.321 54.000 -0.284 0.000 0.835 503 D CB -0.289 40.182 40.800 -0.549 0.000 0.966 503 D HN 0.520 nan 8.370 nan 0.000 0.476 504 W N 0.246 121.609 121.300 0.105 0.000 2.418 504 W HA -0.151 4.509 4.660 0.000 0.000 0.292 504 W C 2.278 178.920 176.519 0.207 0.000 1.213 504 W CA -0.132 57.300 57.345 0.145 0.000 1.283 504 W CB -0.415 29.148 29.460 0.172 0.000 1.119 504 W HN -0.002 nan 8.180 nan 0.000 0.542 505 Y N 1.307 121.823 120.300 0.361 0.000 2.092 505 Y HA -0.154 4.396 4.550 -0.000 0.000 0.282 505 Y C 2.543 178.544 175.900 0.168 0.000 1.126 505 Y CA 1.686 59.971 58.100 0.307 0.000 1.111 505 Y CB -0.704 37.979 38.460 0.372 0.000 0.987 505 Y HN -0.265 nan 8.280 nan 0.000 0.489 506 R N -0.289 120.322 120.500 0.184 0.000 2.211 506 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 506 R C 1.956 178.237 176.300 -0.031 0.000 1.144 506 R CA 1.439 57.552 56.100 0.021 0.000 0.992 506 R CB -0.499 29.844 30.300 0.071 0.000 0.869 506 R HN 0.395 nan 8.270 nan 0.000 0.462 507 L N -0.773 120.473 121.223 0.038 0.000 2.168 507 L HA 0.167 4.507 4.340 -0.000 0.000 0.203 507 L C 2.065 178.979 176.870 0.072 0.000 1.078 507 L CA 1.765 56.643 54.840 0.063 0.000 0.780 507 L CB -0.759 41.384 42.059 0.140 0.000 0.939 507 L HN 0.042 nan 8.230 nan 0.000 0.451 508 G N 0.089 108.942 108.800 0.089 0.000 2.418 508 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 508 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 508 G C 1.556 176.502 174.900 0.077 0.000 1.158 508 G CA 0.748 45.930 45.100 0.137 0.000 0.771 508 G HN 0.350 nan 8.290 nan 0.000 0.545 509 I N 0.583 120.956 120.570 -0.328 0.000 2.614 509 I HA -0.059 4.111 4.170 -0.000 0.000 0.258 509 I C 2.521 178.528 176.117 -0.183 0.000 1.189 509 I CA 1.159 62.106 61.300 -0.589 0.000 1.462 509 I CB -0.277 37.187 38.000 -0.894 0.000 1.092 509 I HN 0.194 nan 8.210 nan 0.000 0.442 510 Q N -0.016 119.747 119.800 -0.062 0.000 2.083 510 Q HA -0.224 4.116 4.340 -0.000 0.000 0.198 510 Q C 2.073 178.125 176.000 0.087 0.000 0.969 510 Q CA 1.710 57.531 55.803 0.029 0.000 0.838 510 Q CB -0.478 28.277 28.738 0.028 0.000 0.900 510 Q HN 0.409 nan 8.270 nan 0.000 0.436 511 F N 0.155 120.088 119.950 -0.028 0.000 2.084 511 F HA -0.142 4.384 4.527 -0.000 0.000 0.296 511 F C 2.106 177.906 175.800 0.000 0.000 1.111 511 F CA 1.758 59.744 58.000 -0.023 0.000 1.224 511 F CB -0.619 38.373 39.000 -0.014 0.000 0.991 511 F HN -0.011 nan 8.300 nan 0.000 0.471 512 S N -0.840 114.889 115.700 0.047 0.000 2.423 512 S HA -0.315 4.155 4.470 -0.000 0.000 0.238 512 S C 2.010 176.569 174.600 -0.068 0.000 1.028 512 S CA 1.602 59.788 58.200 -0.023 0.000 1.000 512 S CB -0.966 62.357 63.200 0.205 0.000 0.797 512 S HN 0.693 nan 8.310 nan 0.000 0.487 513 H N 1.938 120.917 119.070 -0.153 0.000 2.306 513 H HA 0.051 4.607 4.556 -0.000 0.000 0.307 513 H C 2.349 177.580 175.328 -0.162 0.000 1.061 513 H CA 1.193 57.159 56.048 -0.136 0.000 1.359 513 H CB -0.012 29.686 29.762 -0.106 0.000 1.407 513 H HN 0.375 nan 8.280 nan 0.000 0.517 514 R N 0.448 120.703 120.500 -0.408 0.000 2.357 514 R HA 0.036 4.376 4.340 -0.000 0.000 0.202 514 R C 0.718 176.802 176.300 -0.359 0.000 1.047 514 R CA 1.105 56.937 56.100 -0.448 0.000 1.034 514 R CB 0.034 30.149 30.300 -0.308 0.000 0.875 514 R HN 0.054 nan 8.270 nan 0.000 0.473 515 S N 0.008 115.468 115.700 -0.401 0.000 2.557 515 S HA 0.214 4.684 4.470 -0.000 0.000 0.223 515 S C 1.091 175.549 174.600 -0.237 0.000 0.969 515 S CA 0.166 58.135 58.200 -0.385 0.000 0.927 515 S CB 1.134 63.939 63.200 -0.659 0.000 0.806 515 S HN 0.693 nan 8.310 nan 0.000 0.489 516 G N 2.140 110.828 108.800 -0.188 0.000 2.205 516 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.269 516 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.269 516 G C 0.632 175.489 174.900 -0.073 0.000 0.977 516 G CA 0.882 45.921 45.100 -0.102 0.000 0.652 516 G HN 0.662 nan 8.290 nan 0.000 0.539 517 L N -1.520 119.644 121.223 -0.098 0.000 2.611 517 L HA 0.780 5.120 4.340 -0.000 0.000 0.229 517 L C 0.564 177.416 176.870 -0.030 0.000 1.137 517 L CA 0.264 55.061 54.840 -0.072 0.000 0.901 517 L CB -0.055 41.944 42.059 -0.100 0.000 1.098 517 L HN 0.455 nan 8.230 nan 0.000 0.456 518 S N -1.694 114.005 115.700 -0.002 0.000 2.552 518 S HA 0.715 5.185 4.470 -0.000 0.000 0.272 518 S C 0.230 174.847 174.600 0.028 0.000 1.150 518 S CA -0.348 57.866 58.200 0.023 0.000 0.849 518 S CB 0.666 63.903 63.200 0.062 0.000 1.113 518 S HN 0.451 nan 8.310 nan 0.000 0.458 519 G N 2.070 110.858 108.800 -0.019 0.000 2.529 519 G HA2 0.369 4.329 3.960 -0.000 0.000 0.234 519 G HA3 0.369 4.329 3.960 -0.000 0.000 0.234 519 G C -1.954 172.799 174.900 -0.244 0.000 1.527 519 G CA -0.346 44.703 45.100 -0.085 0.000 1.062 519 G HN 0.571 nan 8.290 nan 0.000 0.558 520 P HA 0.216 nan 4.420 nan 0.000 0.234 520 P C 0.458 177.621 177.300 -0.228 0.000 1.175 520 P CA 0.839 63.689 63.100 -0.417 0.000 0.801 520 P CB 0.623 32.123 31.700 -0.334 0.000 0.891 521 G N -0.603 108.108 108.800 -0.149 0.000 2.524 521 G HA2 0.530 4.490 3.960 -0.000 0.000 0.310 521 G HA3 0.530 4.490 3.960 -0.000 0.000 0.310 521 G C -0.046 174.823 174.900 -0.052 0.000 1.279 521 G CA -0.546 44.500 45.100 -0.090 0.000 0.974 521 G HN 0.096 nan 8.290 nan 0.000 0.484 522 G N -0.680 108.105 108.800 -0.025 0.000 2.732 522 G HA2 0.285 4.245 3.960 -0.000 0.000 0.244 522 G HA3 0.285 4.245 3.960 -0.000 0.000 0.244 522 G C 1.201 176.164 174.900 0.106 0.000 1.226 522 G CA -0.041 45.121 45.100 0.104 0.000 0.860 522 G HN 0.729 nan 8.290 nan 0.000 0.583 523 V N -0.151 119.841 119.914 0.130 0.000 2.867 523 V HA -0.129 3.991 4.120 -0.000 0.000 0.260 523 V C 1.707 177.836 176.094 0.057 0.000 1.099 523 V CA 1.616 63.959 62.300 0.072 0.000 1.122 523 V CB -0.834 31.024 31.823 0.058 0.000 0.708 523 V HN 0.952 nan 8.190 nan 0.000 0.490 524 V N -1.454 118.506 119.914 0.078 0.000 5.053 524 V HA -0.181 3.939 4.120 -0.000 0.000 0.286 524 V C 0.317 176.428 176.094 0.027 0.000 0.378 524 V CA 0.776 63.102 62.300 0.043 0.000 0.779 524 V CB -2.350 29.483 31.823 0.017 0.000 0.693 524 V HN 0.549 nan 8.190 nan 0.000 1.420 525 S N -1.224 114.505 115.700 0.048 0.000 2.704 525 S HA 0.731 5.201 4.470 -0.000 0.000 0.305 525 S C 0.898 175.522 174.600 0.041 0.000 1.107 525 S CA 0.052 58.272 58.200 0.034 0.000 0.993 525 S CB 2.299 65.521 63.200 0.036 0.000 1.110 525 S HN 0.268 nan 8.310 nan 0.000 0.534 526 V N 2.618 122.556 119.914 0.041 0.000 2.488 526 V HA -0.037 4.083 4.120 -0.000 0.000 0.246 526 V C 1.961 178.103 176.094 0.080 0.000 1.046 526 V CA 1.350 63.683 62.300 0.056 0.000 1.053 526 V CB -0.781 31.101 31.823 0.099 0.000 0.679 526 V HN 0.755 nan 8.190 nan 0.000 0.458 527 I N 0.354 120.966 120.570 0.070 0.000 2.202 527 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 527 I C 2.219 178.348 176.117 0.020 0.000 1.091 527 I CA 1.486 62.817 61.300 0.051 0.000 1.368 527 I CB -0.759 37.259 38.000 0.029 0.000 1.058 527 I HN 0.251 nan 8.210 nan 0.000 0.410 528 D N 0.694 121.105 120.400 0.019 0.000 2.092 528 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 528 D C 2.407 178.758 176.300 0.086 0.000 0.994 528 D CA 1.587 55.581 54.000 -0.009 0.000 0.828 528 D CB -0.204 40.642 40.800 0.078 0.000 0.963 528 D HN 0.312 nan 8.370 nan 0.000 0.450 529 I N 0.359 121.058 120.570 0.214 0.000 2.127 529 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 529 I C 2.453 178.761 176.117 0.318 0.000 1.075 529 I CA 0.855 62.366 61.300 0.352 0.000 1.334 529 I CB -0.139 37.908 38.000 0.078 0.000 1.040 529 I HN -0.017 nan 8.210 nan 0.000 0.405 530 M N 0.342 120.059 119.600 0.195 0.000 2.108 530 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 530 M C 2.333 178.769 176.300 0.227 0.000 1.066 530 M CA 2.089 57.532 55.300 0.238 0.000 1.107 530 M CB -0.865 31.860 32.600 0.209 0.000 1.356 530 M HN 0.163 nan 8.290 nan 0.000 0.406 531 T N -0.826 113.751 114.554 0.038 0.000 2.684 531 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 531 T C 1.666 176.307 174.700 -0.099 0.000 1.036 531 T CA 1.533 63.548 62.100 -0.142 0.000 1.148 531 T CB -0.542 68.135 68.868 -0.318 0.000 0.863 531 T HN 0.401 nan 8.240 nan 0.000 0.436 532 H N 0.820 119.941 119.070 0.084 0.000 2.457 532 H HA 0.053 4.609 4.556 0.000 0.000 0.297 532 H C 2.244 177.668 175.328 0.159 0.000 1.092 532 H CA 0.838 56.917 56.048 0.052 0.000 1.309 532 H CB -0.370 29.332 29.762 -0.100 0.000 1.382 532 H HN 0.332 nan 8.280 nan 0.000 0.535 533 L N -0.281 121.184 121.223 0.403 0.000 2.068 533 L HA -0.043 4.297 4.340 -0.000 0.000 0.204 533 L C 2.933 180.014 176.870 0.353 0.000 1.076 533 L CA 0.754 55.867 54.840 0.455 0.000 0.753 533 L CB -0.561 41.804 42.059 0.511 0.000 0.910 533 L HN 0.167 nan 8.230 nan 0.000 0.439 534 A N 0.485 123.484 122.820 0.299 0.000 1.869 534 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 534 A C 2.399 179.918 177.584 -0.108 0.000 1.203 534 A CA 1.863 53.825 52.037 -0.124 0.000 0.638 534 A CB -0.630 17.979 19.000 -0.652 0.000 0.831 534 A HN 0.289 nan 8.150 nan 0.000 0.450 535 R N -1.129 119.289 120.500 -0.136 0.000 2.122 535 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 535 R C 2.470 178.778 176.300 0.015 0.000 1.129 535 R CA 1.685 57.711 56.100 -0.123 0.000 0.925 535 R CB -1.594 28.645 30.300 -0.102 0.000 0.850 535 R HN 0.568 nan 8.270 nan 0.000 0.431 536 G N 1.426 110.283 108.800 0.095 0.000 2.505 536 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 536 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 536 G C 1.632 176.584 174.900 0.088 0.000 1.145 536 G CA 0.738 45.951 45.100 0.188 0.000 0.761 536 G HN 0.210 nan 8.290 nan 0.000 0.571 537 L N -0.890 120.288 121.223 -0.076 0.000 2.217 537 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 537 L C 2.597 179.367 176.870 -0.167 0.000 1.107 537 L CA 0.445 55.029 54.840 -0.426 0.000 0.783 537 L CB -0.254 41.625 42.059 -0.300 0.000 0.919 537 L HN 0.527 nan 8.230 nan 0.000 0.442 538 W N 1.527 122.717 121.300 -0.183 0.000 2.352 538 W HA -0.232 4.427 4.660 -0.000 0.000 0.322 538 W C 1.532 177.983 176.519 -0.113 0.000 1.208 538 W CA 1.350 58.609 57.345 -0.143 0.000 1.286 538 W CB -0.067 29.296 29.460 -0.162 0.000 1.167 538 W HN 0.103 nan 8.180 nan 0.000 0.469 539 L N 0.696 121.895 121.223 -0.040 0.000 2.611 539 L HA 0.352 4.692 4.340 -0.000 0.000 0.229 539 L C 2.110 179.001 176.870 0.035 0.000 1.137 539 L CA 1.134 55.928 54.840 -0.075 0.000 0.901 539 L CB -1.214 40.854 42.059 0.015 0.000 1.098 539 L HN 0.031 nan 8.230 nan 0.000 0.456 540 G N -1.356 107.450 108.800 0.011 0.000 2.641 540 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.207 540 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.207 540 G C 0.619 175.599 174.900 0.134 0.000 1.137 540 G CA -0.101 45.109 45.100 0.184 0.000 0.824 540 G HN 0.279 nan 8.290 nan 0.000 0.547 541 S N 2.678 118.305 115.700 -0.122 0.000 2.702 541 S HA 0.072 4.542 4.470 -0.000 0.000 0.314 541 S C -0.734 173.878 174.600 0.020 0.000 1.244 541 S CA -0.195 57.959 58.200 -0.077 0.000 1.058 541 S CB 1.664 64.746 63.200 -0.196 0.000 0.783 541 S HN 0.305 nan 8.310 nan 0.000 0.503 542 P HA 0.047 nan 4.420 nan 0.000 0.214 542 P C 0.735 178.043 177.300 0.013 0.000 1.162 542 P CA 1.176 64.315 63.100 0.064 0.000 0.874 542 P CB 0.188 31.939 31.700 0.084 0.000 0.784 543 G N -1.336 107.443 108.800 -0.035 0.000 2.570 543 G HA2 0.531 4.491 3.960 -0.000 0.000 0.310 543 G HA3 0.531 4.491 3.960 -0.000 0.000 0.310 543 G C -1.676 173.139 174.900 -0.141 0.000 1.266 543 G CA -0.748 44.289 45.100 -0.106 0.000 0.825 543 G HN 0.208 nan 8.290 nan 0.000 0.483 544 F N -1.786 118.058 119.950 -0.178 0.000 2.675 544 F HA 0.872 5.399 4.527 0.000 0.000 0.324 544 F C -1.514 174.128 175.800 -0.263 0.000 1.106 544 F CA -2.041 55.764 58.000 -0.325 0.000 0.970 544 F CB 1.036 39.949 39.000 -0.146 0.000 1.385 544 F HN 0.446 nan 8.300 nan 0.000 0.489 545 Y N 0.073 120.534 120.300 0.268 0.000 2.419 545 Y HA 0.562 5.112 4.550 -0.000 0.000 0.328 545 Y C 0.238 176.281 175.900 0.238 0.000 1.162 545 Y CA -1.895 56.297 58.100 0.153 0.000 1.174 545 Y CB 1.585 40.109 38.460 0.107 0.000 1.228 545 Y HN 0.557 nan 8.280 nan 0.000 0.473 546 V N -0.001 120.099 119.914 0.310 0.000 2.412 546 V HA 0.243 4.363 4.120 -0.000 0.000 0.270 546 V C 0.068 176.248 176.094 0.143 0.000 1.169 546 V CA -1.068 61.365 62.300 0.222 0.000 1.319 546 V CB -0.733 31.191 31.823 0.169 0.000 1.467 546 V HN 0.823 nan 8.190 nan 0.000 0.535 547 E N 1.179 121.469 120.200 0.151 0.000 3.072 547 E HA -0.192 4.158 4.350 -0.000 0.000 0.303 547 E C -0.436 176.183 176.600 0.032 0.000 0.973 547 E CA 0.612 57.059 56.400 0.079 0.000 1.009 547 E CB 0.518 30.259 29.700 0.068 0.000 1.068 547 E HN 0.655 nan 8.360 nan 0.000 0.475 559 P HA 0.533 nan 4.420 nan 0.000 0.349 559 P C -0.848 176.493 177.300 0.068 0.000 1.263 559 P CA -0.062 63.055 63.100 0.028 0.000 0.783 559 P CB 0.981 32.697 31.700 0.027 0.000 1.657 560 T N 0.700 115.301 114.554 0.078 0.000 2.770 560 T HA 0.436 4.786 4.350 -0.000 0.000 0.297 560 T C 0.245 174.862 174.700 -0.139 0.000 0.997 560 T CA -0.219 61.902 62.100 0.035 0.000 0.949 560 T CB -0.151 68.801 68.868 0.140 0.000 0.941 560 T HN 0.114 nan 8.240 nan 0.000 0.457 561 I N 7.020 127.357 120.570 -0.388 0.000 2.618 561 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 561 I C -1.800 174.089 176.117 -0.381 0.000 1.146 561 I CA -2.048 58.990 61.300 -0.437 0.000 1.425 561 I CB 0.008 37.550 38.000 -0.764 0.000 1.383 561 I HN 0.337 nan 8.210 nan 0.000 0.562 562 P HA 0.205 nan 4.420 nan 0.000 0.296 562 P C -0.833 176.537 177.300 0.117 0.000 1.306 562 P CA -0.411 62.703 63.100 0.023 0.000 0.818 562 P CB 1.539 33.282 31.700 0.072 0.000 0.969 563 V N 6.133 126.102 119.914 0.092 0.000 2.334 563 V HA 0.087 4.207 4.120 -0.000 0.000 0.267 563 V C 1.007 177.094 176.094 -0.011 0.000 1.040 563 V CA 0.097 62.476 62.300 0.132 0.000 0.866 563 V CB 0.267 32.176 31.823 0.144 0.000 1.019 563 V HN 0.470 nan 8.190 nan 0.000 0.468 564 L N 3.419 124.646 121.223 0.007 0.000 3.573 564 L HA 0.329 4.669 4.340 -0.000 0.000 0.335 564 L C 0.990 177.845 176.870 -0.025 0.000 1.321 564 L CA -0.129 54.706 54.840 -0.007 0.000 1.009 564 L CB -0.986 41.133 42.059 0.099 0.000 1.417 564 L HN 0.443 nan 8.230 nan 0.000 0.619 565 Y N -0.594 119.793 120.300 0.145 0.000 2.716 565 Y HA 0.111 4.661 4.550 -0.000 0.000 0.302 565 Y C 1.858 177.807 175.900 0.081 0.000 1.160 565 Y CA 0.809 59.017 58.100 0.181 0.000 1.362 565 Y CB -0.685 37.844 38.460 0.116 0.000 0.988 565 Y HN 0.452 nan 8.280 nan 0.000 0.546 566 I N -1.323 119.008 120.570 -0.399 0.000 3.226 566 I HA -0.083 4.087 4.170 -0.000 0.000 0.277 566 I C 0.892 176.802 176.117 -0.346 0.000 1.243 566 I CA 0.559 61.600 61.300 -0.430 0.000 1.459 566 I CB -0.100 37.398 38.000 -0.837 0.000 1.093 566 I HN 0.098 nan 8.210 nan 0.000 0.453 567 Y N 0.013 120.184 120.300 -0.215 0.000 2.546 567 Y HA 0.020 4.570 4.550 -0.000 0.000 0.287 567 Y C 2.093 177.886 175.900 -0.178 0.000 1.158 567 Y CA 0.624 58.604 58.100 -0.199 0.000 1.307 567 Y CB -0.290 37.999 38.460 -0.285 0.000 1.036 567 Y HN 0.290 nan 8.280 nan 0.000 0.532 568 H N -0.383 118.748 119.070 0.102 0.000 2.562 568 H HA 0.187 4.743 4.556 -0.000 0.000 0.267 568 H C 0.548 175.922 175.328 0.076 0.000 0.959 568 H CA 0.114 56.217 56.048 0.092 0.000 1.204 568 H CB 0.285 30.108 29.762 0.102 0.000 1.430 568 H HN 0.183 nan 8.280 nan 0.000 0.545 569 R N 1.328 121.924 120.500 0.160 0.000 2.585 569 R HA -0.043 4.297 4.340 -0.000 0.000 0.275 569 R C 1.601 177.979 176.300 0.130 0.000 1.018 569 R CA 0.495 56.663 56.100 0.114 0.000 1.072 569 R CB 0.589 30.905 30.300 0.027 0.000 0.953 569 R HN 0.250 nan 8.270 nan 0.000 0.419 570 S N 1.252 117.022 115.700 0.117 0.000 2.402 570 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 570 S C 0.940 175.610 174.600 0.116 0.000 1.030 570 S CA 0.605 58.868 58.200 0.106 0.000 1.003 570 S CB 0.050 63.300 63.200 0.084 0.000 0.813 570 S HN 0.322 nan 8.310 nan 0.000 0.477 571 V N 2.483 122.495 119.914 0.162 0.000 2.398 571 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 571 V C -0.386 175.843 176.094 0.225 0.000 1.026 571 V CA -0.814 61.589 62.300 0.171 0.000 0.868 571 V CB 1.572 33.510 31.823 0.192 0.000 0.982 571 V HN 0.279 nan 8.190 nan 0.000 0.443 572 Q N 1.686 121.554 119.800 0.113 0.000 2.248 572 Q HA 0.470 4.810 4.340 -0.000 0.000 0.263 572 Q C -0.446 175.538 176.000 -0.027 0.000 1.007 572 Q CA -0.438 55.422 55.803 0.096 0.000 0.877 572 Q CB 2.198 30.992 28.738 0.094 0.000 1.315 572 Q HN 0.836 nan 8.270 nan 0.000 0.454 573 C N 3.693 122.981 119.300 -0.020 0.000 3.414 573 C HA 0.394 4.854 4.460 -0.000 0.000 0.208 573 C C -1.528 173.491 174.990 0.049 0.000 1.422 573 C CA -1.717 57.256 59.018 -0.075 0.000 1.437 573 C CB -0.554 27.046 27.740 -0.233 0.000 1.850 573 C HN 0.579 nan 8.230 nan 0.000 0.481 574 P HA -0.154 nan 4.420 nan 0.000 0.216 574 P C 1.854 179.173 177.300 0.031 0.000 1.153 574 P CA 1.577 64.718 63.100 0.069 0.000 0.858 574 P CB 0.123 31.852 31.700 0.047 0.000 0.789 575 V N -1.215 118.696 119.914 -0.005 0.000 2.311 575 V HA -0.291 3.829 4.120 -0.000 0.000 0.259 575 V C 2.227 178.301 176.094 -0.034 0.000 1.086 575 V CA 1.928 64.215 62.300 -0.022 0.000 1.078 575 V CB -1.084 30.712 31.823 -0.044 0.000 0.668 575 V HN 0.102 nan 8.190 nan 0.000 0.452 576 L N -3.199 117.980 121.223 -0.074 0.000 2.546 576 L HA 0.115 4.455 4.340 -0.000 0.000 0.185 576 L C 2.368 179.124 176.870 -0.189 0.000 1.247 576 L CA 0.637 55.365 54.840 -0.187 0.000 0.848 576 L CB -0.824 41.006 42.059 -0.381 0.000 1.133 576 L HN 0.129 nan 8.230 nan 0.000 0.504 577 Y N 0.993 121.310 120.300 0.028 0.000 2.114 577 Y HA -0.054 4.496 4.550 -0.000 0.000 0.282 577 Y C 1.737 177.716 175.900 0.132 0.000 1.165 577 Y CA 1.227 59.341 58.100 0.024 0.000 1.148 577 Y CB -1.087 37.269 38.460 -0.173 0.000 0.972 577 Y HN 0.441 nan 8.280 nan 0.000 0.504 578 G N -1.079 107.869 108.800 0.248 0.000 2.508 578 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.220 578 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.220 578 G C -0.371 174.697 174.900 0.281 0.000 1.287 578 G CA -0.336 44.886 45.100 0.203 0.000 0.916 578 G HN 0.331 nan 8.290 nan 0.000 0.574 579 S N -1.154 114.641 115.700 0.159 0.000 2.667 579 S HA 0.703 5.173 4.470 -0.000 0.000 0.292 579 S C 0.591 175.133 174.600 -0.097 0.000 1.126 579 S CA -0.494 57.750 58.200 0.073 0.000 0.881 579 S CB 1.682 64.899 63.200 0.029 0.000 1.132 579 S HN 0.848 nan 8.310 nan 0.000 0.492 580 L N 1.672 122.769 121.223 -0.209 0.000 2.928 580 L HA 0.340 4.680 4.340 -0.000 0.000 0.246 580 L C -0.113 176.652 176.870 -0.174 0.000 1.239 580 L CA -0.085 54.577 54.840 -0.295 0.000 1.035 580 L CB -0.637 41.143 42.059 -0.465 0.000 1.360 580 L HN 0.739 nan 8.230 nan 0.000 0.529 586 G N 4.405 113.191 108.800 -0.024 0.000 2.977 586 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.308 586 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.308 586 G C -1.222 173.652 174.900 -0.044 0.000 1.491 586 G CA 0.087 45.174 45.100 -0.021 0.000 0.971 586 G HN 0.663 nan 8.290 nan 0.000 0.557 587 P HA 0.106 nan 4.420 nan 0.000 0.218 587 P C 1.918 179.144 177.300 -0.123 0.000 1.140 587 P CA 1.311 64.345 63.100 -0.110 0.000 0.883 587 P CB 0.211 31.824 31.700 -0.144 0.000 0.828 588 V N 1.347 121.212 119.914 -0.082 0.000 2.302 588 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 588 V C 2.924 179.051 176.094 0.056 0.000 1.036 588 V CA 1.998 64.290 62.300 -0.014 0.000 1.020 588 V CB -1.706 30.167 31.823 0.083 0.000 0.657 588 V HN 0.047 nan 8.190 nan 0.000 0.453 589 A N 1.295 124.159 122.820 0.073 0.000 1.915 589 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 589 A C 2.542 180.099 177.584 -0.045 0.000 1.198 589 A CA 2.976 55.040 52.037 0.045 0.000 0.647 589 A CB -1.053 17.958 19.000 0.020 0.000 0.825 589 A HN 0.730 nan 8.150 nan 0.000 0.456 590 S N -0.155 115.518 115.700 -0.044 0.000 2.400 590 S HA -0.217 4.253 4.470 -0.000 0.000 0.232 590 S C 1.822 176.402 174.600 -0.032 0.000 1.025 590 S CA 1.521 59.689 58.200 -0.054 0.000 0.993 590 S CB -0.399 62.771 63.200 -0.051 0.000 0.808 590 S HN 0.658 nan 8.310 nan 0.000 0.478 591 K N 0.833 121.229 120.400 -0.006 0.000 2.026 591 K HA -0.010 4.310 4.320 -0.000 0.000 0.208 591 K C 2.224 178.845 176.600 0.034 0.000 1.048 591 K CA 1.496 57.801 56.287 0.029 0.000 0.929 591 K CB -0.646 31.902 32.500 0.080 0.000 0.713 591 K HN 0.313 nan 8.250 nan 0.000 0.439 592 V N 1.852 121.784 119.914 0.031 0.000 2.261 592 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 592 V C 2.268 178.343 176.094 -0.032 0.000 1.047 592 V CA 1.452 63.760 62.300 0.013 0.000 1.015 592 V CB -0.504 31.333 31.823 0.023 0.000 0.642 592 V HN 0.237 nan 8.190 nan 0.000 0.446 593 L N 0.967 122.130 121.223 -0.101 0.000 2.081 593 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 593 L C 2.442 179.314 176.870 0.004 0.000 1.080 593 L CA 2.267 57.044 54.840 -0.105 0.000 0.754 593 L CB -1.098 40.860 42.059 -0.168 0.000 0.893 593 L HN 0.260 nan 8.230 nan 0.000 0.433 594 A N -0.526 122.292 122.820 -0.003 0.000 1.865 594 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 594 A C 2.254 179.856 177.584 0.030 0.000 1.191 594 A CA 2.167 54.213 52.037 0.014 0.000 0.623 594 A CB -0.875 18.133 19.000 0.014 0.000 0.826 594 A HN 0.501 nan 8.150 nan 0.000 0.444 595 L N -2.379 118.866 121.223 0.036 0.000 1.994 595 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 595 L C 2.591 179.479 176.870 0.031 0.000 1.071 595 L CA 2.031 56.893 54.840 0.038 0.000 0.745 595 L CB -0.996 41.083 42.059 0.032 0.000 0.892 595 L HN 0.559 nan 8.230 nan 0.000 0.431 596 Y N 1.415 121.634 120.300 -0.135 0.000 2.062 596 Y HA -0.381 4.168 4.550 -0.000 0.000 0.273 596 Y C 2.498 178.299 175.900 -0.165 0.000 1.206 596 Y CA 2.274 60.210 58.100 -0.273 0.000 1.125 596 Y CB -0.257 37.970 38.460 -0.389 0.000 0.951 596 Y HN 0.257 nan 8.280 nan 0.000 0.501 597 E N -0.220 119.948 120.200 -0.052 0.000 2.046 597 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 597 E C 2.092 178.652 176.600 -0.067 0.000 0.982 597 E CA 1.259 57.607 56.400 -0.087 0.000 0.800 597 E CB -0.227 29.482 29.700 0.015 0.000 0.756 597 E HN 0.470 nan 8.360 nan 0.000 0.449 598 K N 0.687 121.077 120.400 -0.016 0.000 2.218 598 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 598 K C 2.051 178.674 176.600 0.038 0.000 1.046 598 K CA 0.847 57.145 56.287 0.017 0.000 0.933 598 K CB -0.082 32.439 32.500 0.035 0.000 0.728 598 K HN 0.179 nan 8.250 nan 0.000 0.454 599 I N 0.613 121.188 120.570 0.008 0.000 2.876 599 I HA -0.148 4.022 4.170 -0.000 0.000 0.264 599 I C 1.611 177.759 176.117 0.051 0.000 1.204 599 I CA 0.574 61.904 61.300 0.051 0.000 1.485 599 I CB 0.290 38.346 38.000 0.093 0.000 1.103 599 I HN 0.155 nan 8.210 nan 0.000 0.446 600 L N 0.054 121.249 121.223 -0.047 0.000 2.307 600 L HA 0.070 4.410 4.340 -0.000 0.000 0.211 600 L C 2.445 179.319 176.870 0.007 0.000 1.099 600 L CA 0.733 55.548 54.840 -0.040 0.000 0.816 600 L CB -0.414 41.556 42.059 -0.148 0.000 0.952 600 L HN 0.181 nan 8.230 nan 0.000 0.455 601 A N -0.894 121.931 122.820 0.008 0.000 2.239 601 A HA -0.156 4.163 4.320 -0.000 0.000 0.209 601 A C 0.761 178.350 177.584 0.007 0.000 1.171 601 A CA 0.169 52.206 52.037 0.001 0.000 0.768 601 A CB -0.584 18.416 19.000 -0.000 0.000 0.790 601 A HN 0.345 nan 8.150 nan 0.000 0.478 602 Y N 0.915 121.199 120.300 -0.027 0.000 2.326 602 Y HA 0.356 4.906 4.550 0.000 0.000 0.333 602 Y C -0.329 175.555 175.900 -0.028 0.000 1.240 602 Y CA -0.628 57.459 58.100 -0.021 0.000 1.365 602 Y CB 0.602 39.054 38.460 -0.013 0.000 1.289 602 Y HN 0.175 nan 8.280 nan 0.000 0.548 603 E N 2.770 122.431 120.200 -0.900 0.000 1.936 603 E HA 0.168 4.518 4.350 -0.000 0.000 0.267 603 E C -0.488 175.957 176.600 -0.259 0.000 1.076 603 E CA -0.246 55.866 56.400 -0.480 0.000 0.870 603 E CB -0.023 29.401 29.700 -0.461 0.000 1.093 603 E HN 0.528 nan 8.360 nan 0.000 0.411 604 S N 1.181 116.878 115.700 -0.006 0.000 2.673 604 S HA -0.091 4.379 4.470 -0.000 0.000 0.308 604 S C 0.989 175.564 174.600 -0.040 0.000 1.246 604 S CA 0.002 58.231 58.200 0.049 0.000 1.077 604 S CB 0.394 63.519 63.200 -0.125 0.000 0.814 604 S HN 0.426 nan 8.310 nan 0.000 0.503 605 S N 2.483 118.218 115.700 0.058 0.000 2.720 605 S HA 0.242 4.712 4.470 -0.000 0.000 0.222 605 S C 1.178 175.758 174.600 -0.034 0.000 0.958 605 S CA -0.248 57.961 58.200 0.015 0.000 0.943 605 S CB -1.250 61.995 63.200 0.075 0.000 0.779 605 S HN 1.641 nan 8.310 nan 0.000 0.526 606 G N 0.424 109.144 108.800 -0.134 0.000 2.866 606 G HA2 0.170 4.130 3.960 -0.000 0.000 0.339 606 G HA3 0.170 4.130 3.960 -0.000 0.000 0.339 606 G C 0.691 175.588 174.900 -0.005 0.000 0.181 606 G CA 0.057 45.066 45.100 -0.152 0.000 1.226 606 G HN 0.805 nan 8.290 nan 0.000 0.395 607 G N 0.986 109.826 108.800 0.068 0.000 2.917 607 G HA2 0.399 4.359 3.960 -0.000 0.000 0.202 607 G HA3 0.399 4.359 3.960 -0.000 0.000 0.202 607 G C 1.244 176.177 174.900 0.056 0.000 1.302 607 G CA 1.086 46.214 45.100 0.048 0.000 0.685 607 G HN 1.668 nan 8.290 nan 0.000 0.914 608 S N -0.551 115.182 115.700 0.054 0.000 3.552 608 S HA 0.211 4.681 4.470 -0.000 0.000 0.251 608 S C 1.633 176.246 174.600 0.021 0.000 1.119 608 S CA 0.829 59.047 58.200 0.030 0.000 0.830 608 S CB -0.038 63.169 63.200 0.012 0.000 0.946 608 S HN 0.107 nan 8.310 nan 0.000 0.470 609 K N 0.458 120.871 120.400 0.022 0.000 2.218 609 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 609 K C 1.995 178.605 176.600 0.018 0.000 1.046 609 K CA 1.911 58.199 56.287 0.003 0.000 0.933 609 K CB -0.305 32.199 32.500 0.008 0.000 0.728 609 K HN 0.657 nan 8.250 nan 0.000 0.454 610 H N -0.050 119.003 119.070 -0.028 0.000 2.497 610 H HA 0.071 4.627 4.556 -0.000 0.000 0.282 610 H C 1.619 176.929 175.328 -0.030 0.000 1.003 610 H CA 0.777 56.809 56.048 -0.026 0.000 1.307 610 H CB 0.346 30.104 29.762 -0.007 0.000 1.437 610 H HN -0.001 nan 8.280 nan 0.000 0.544 611 I N 0.586 121.154 120.570 -0.003 0.000 2.286 611 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 611 I C 2.545 178.604 176.117 -0.096 0.000 1.104 611 I CA 1.256 62.529 61.300 -0.045 0.000 1.397 611 I CB -1.625 36.381 38.000 0.010 0.000 1.072 611 I HN 0.395 nan 8.210 nan 0.000 0.417 612 A N 1.057 123.826 122.820 -0.085 0.000 1.898 612 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 612 A C 2.602 180.084 177.584 -0.170 0.000 1.181 612 A CA 1.815 53.787 52.037 -0.108 0.000 0.620 612 A CB -0.769 18.175 19.000 -0.094 0.000 0.819 612 A HN 0.390 nan 8.150 nan 0.000 0.442 613 A N -0.529 122.176 122.820 -0.191 0.000 1.873 613 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 613 A C 2.149 179.582 177.584 -0.251 0.000 1.193 613 A CA 1.861 53.758 52.037 -0.233 0.000 0.629 613 A CB -0.715 18.140 19.000 -0.242 0.000 0.826 613 A HN 0.651 nan 8.150 nan 0.000 0.447 614 Q N -0.863 118.760 119.800 -0.296 0.000 2.030 614 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 614 Q C 2.427 178.348 176.000 -0.132 0.000 0.986 614 Q CA 2.425 58.091 55.803 -0.228 0.000 0.843 614 Q CB -0.586 28.020 28.738 -0.219 0.000 0.904 614 Q HN 0.919 nan 8.270 nan 0.000 0.420 615 T N -1.424 113.063 114.554 -0.112 0.000 2.759 615 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 615 T C 1.978 176.642 174.700 -0.060 0.000 1.042 615 T CA 1.433 63.498 62.100 -0.058 0.000 1.140 615 T CB -0.651 68.195 68.868 -0.037 0.000 0.864 615 T HN 0.054 nan 8.240 nan 0.000 0.455 616 V N 1.886 121.704 119.914 -0.161 0.000 2.427 616 V HA -0.148 3.971 4.120 -0.000 0.000 0.248 616 V C 3.077 179.109 176.094 -0.103 0.000 1.051 616 V CA 1.769 63.921 62.300 -0.245 0.000 1.048 616 V CB -1.071 30.480 31.823 -0.452 0.000 0.666 616 V HN 0.702 nan 8.190 nan 0.000 0.456 617 S N 0.709 116.346 115.700 -0.105 0.000 2.365 617 S HA -0.273 4.197 4.470 -0.000 0.000 0.225 617 S C 2.076 176.678 174.600 0.004 0.000 1.039 617 S CA 1.920 60.081 58.200 -0.064 0.000 1.033 617 S CB -0.274 62.881 63.200 -0.074 0.000 0.887 617 S HN 0.656 nan 8.310 nan 0.000 0.447 618 R N 0.410 120.922 120.500 0.020 0.000 2.297 618 R HA 0.239 4.579 4.340 -0.000 0.000 0.197 618 R C 1.020 177.379 176.300 0.099 0.000 0.943 618 R CA 0.658 56.790 56.100 0.052 0.000 1.038 618 R CB -0.058 30.264 30.300 0.037 0.000 0.957 618 R HN 0.272 nan 8.270 nan 0.000 0.484 619 S N 1.069 116.855 115.700 0.144 0.000 2.582 619 S HA 0.219 4.689 4.470 -0.000 0.000 0.249 619 S C 1.083 175.867 174.600 0.307 0.000 1.072 619 S CA -0.055 58.284 58.200 0.231 0.000 1.115 619 S CB 0.094 63.514 63.200 0.367 0.000 0.790 619 S HN 0.227 nan 8.310 nan 0.000 0.459 620 L N 0.367 121.750 121.223 0.268 0.000 2.513 620 L HA 0.287 4.627 4.340 -0.000 0.000 0.222 620 L C 1.644 178.770 176.870 0.425 0.000 1.096 620 L CA 0.215 55.292 54.840 0.395 0.000 0.857 620 L CB -0.453 41.778 42.059 0.287 0.000 1.026 620 L HN 0.413 nan 8.230 nan 0.000 0.469 621 A N 0.338 123.314 122.820 0.261 0.000 2.790 621 A HA -0.180 4.140 4.320 -0.000 0.000 0.277 621 A C 0.217 177.898 177.584 0.162 0.000 1.435 621 A CA 0.997 53.154 52.037 0.200 0.000 0.877 621 A CB -2.079 17.067 19.000 0.244 0.000 1.007 621 A HN 0.195 nan 8.150 nan 0.000 0.613 622 V N 0.873 120.896 119.914 0.182 0.000 2.686 622 V HA 0.527 4.647 4.120 -0.000 0.000 0.306 622 V C -2.237 173.918 176.094 0.102 0.000 1.065 622 V CA -0.896 61.487 62.300 0.139 0.000 0.894 622 V CB 2.326 34.268 31.823 0.199 0.000 1.004 622 V HN 0.402 nan 8.190 nan 0.000 0.424 623 P HA 0.239 nan 4.420 nan 0.000 0.273 623 P C -0.450 176.875 177.300 0.042 0.000 1.428 623 P CA -0.044 63.088 63.100 0.054 0.000 0.995 623 P CB 0.400 32.128 31.700 0.047 0.000 1.286 624 I N 3.012 123.600 120.570 0.030 0.000 2.713 624 I HA 0.481 4.651 4.170 -0.000 0.000 0.300 624 I C -2.157 173.961 176.117 0.001 0.000 1.009 624 I CA -2.982 58.318 61.300 -0.000 0.000 1.305 624 I CB -0.030 37.959 38.000 -0.019 0.000 1.430 624 I HN 0.136 nan 8.210 nan 0.000 0.546 625 P HA 0.045 nan 4.420 nan 0.000 0.268 625 P C -0.031 177.292 177.300 0.038 0.000 1.208 625 P CA -0.049 63.058 63.100 0.011 0.000 0.777 625 P CB 0.333 32.030 31.700 -0.005 0.000 0.875 626 S N 0.287 116.021 115.700 0.058 0.000 2.587 626 S HA 0.302 4.772 4.470 -0.000 0.000 0.260 626 S C 1.241 175.893 174.600 0.086 0.000 1.353 626 S CA 0.079 58.317 58.200 0.063 0.000 0.995 626 S CB -0.794 62.440 63.200 0.056 0.000 0.912 626 S HN 0.956 nan 8.310 nan 0.000 0.568 627 G N -0.065 108.785 108.800 0.082 0.000 2.422 627 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.301 627 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.301 627 G C 0.389 175.377 174.900 0.146 0.000 0.981 627 G CA 0.671 45.832 45.100 0.101 0.000 0.994 627 G HN 1.136 nan 8.290 nan 0.000 0.514 628 T N -1.197 113.444 114.554 0.146 0.000 3.016 628 T HA 0.276 4.626 4.350 -0.000 0.000 0.271 628 T C 2.414 177.224 174.700 0.184 0.000 0.968 628 T CA 0.488 62.712 62.100 0.206 0.000 0.891 628 T CB -0.116 68.841 68.868 0.148 0.000 1.149 628 T HN 0.194 nan 8.240 nan 0.000 0.524 629 I N 3.629 124.269 120.570 0.117 0.000 2.076 629 I HA -0.044 4.126 4.170 -0.000 0.000 0.237 629 I C -0.313 175.852 176.117 0.081 0.000 1.059 629 I CA 1.400 62.743 61.300 0.073 0.000 1.317 629 I CB -2.469 35.561 38.000 0.050 0.000 1.037 629 I HN 0.258 nan 8.210 nan 0.000 0.398 630 P HA -0.274 nan 4.420 nan 0.000 0.216 630 P C 2.016 179.394 177.300 0.131 0.000 1.157 630 P CA 1.939 65.103 63.100 0.107 0.000 0.880 630 P CB -0.409 31.355 31.700 0.108 0.000 0.791 631 F N 0.761 120.715 119.950 0.008 0.000 2.186 631 F HA -0.103 4.424 4.527 0.000 0.000 0.299 631 F C 2.205 178.003 175.800 -0.003 0.000 1.090 631 F CA 0.715 58.700 58.000 -0.025 0.000 1.307 631 F CB -1.219 37.828 39.000 0.079 0.000 1.019 631 F HN -0.250 nan 8.300 nan 0.000 0.489 632 L N 0.790 121.963 121.223 -0.084 0.000 2.012 632 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 632 L C 2.230 178.962 176.870 -0.230 0.000 1.073 632 L CA 1.786 56.494 54.840 -0.219 0.000 0.748 632 L CB -1.135 40.863 42.059 -0.101 0.000 0.891 632 L HN 0.138 nan 8.230 nan 0.000 0.431 633 I N -0.377 120.110 120.570 -0.137 0.000 2.194 633 I HA -0.276 3.894 4.170 -0.000 0.000 0.246 633 I C 2.661 178.702 176.117 -0.127 0.000 1.093 633 I CA 1.215 62.435 61.300 -0.134 0.000 1.355 633 I CB -1.603 36.346 38.000 -0.085 0.000 1.046 633 I HN 0.345 nan 8.210 nan 0.000 0.413 634 R N 1.053 121.485 120.500 -0.114 0.000 2.082 634 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 634 R C 2.350 178.534 176.300 -0.193 0.000 1.136 634 R CA 1.210 57.245 56.100 -0.108 0.000 0.935 634 R CB -1.142 29.104 30.300 -0.090 0.000 0.842 634 R HN 0.406 nan 8.270 nan 0.000 0.430 635 L N 1.002 122.020 121.223 -0.342 0.000 2.447 635 L HA -0.146 4.194 4.340 -0.000 0.000 0.225 635 L C 2.301 179.039 176.870 -0.219 0.000 1.148 635 L CA 0.695 55.342 54.840 -0.321 0.000 0.808 635 L CB -0.346 41.427 42.059 -0.477 0.000 0.928 635 L HN 0.153 nan 8.230 nan 0.000 0.448 636 L N -1.361 119.738 121.223 -0.208 0.000 2.168 636 L HA -0.091 4.248 4.340 -0.000 0.000 0.203 636 L C 2.602 179.387 176.870 -0.141 0.000 1.078 636 L CA 0.661 55.386 54.840 -0.190 0.000 0.780 636 L CB -0.313 41.617 42.059 -0.215 0.000 0.939 636 L HN 0.245 nan 8.230 nan 0.000 0.451 637 Q N 0.428 120.162 119.800 -0.110 0.000 2.061 637 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 637 Q C 2.233 178.199 176.000 -0.057 0.000 0.984 637 Q CA 1.703 57.466 55.803 -0.066 0.000 0.846 637 Q CB -0.245 28.481 28.738 -0.020 0.000 0.902 637 Q HN 0.543 nan 8.270 nan 0.000 0.421 638 I N 0.673 121.203 120.570 -0.067 0.000 2.286 638 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 638 I C 2.409 178.539 176.117 0.023 0.000 1.115 638 I CA 0.986 62.267 61.300 -0.032 0.000 1.392 638 I CB -0.553 37.418 38.000 -0.048 0.000 1.065 638 I HN 0.116 nan 8.210 nan 0.000 0.418 639 A N 1.054 123.862 122.820 -0.020 0.000 2.015 639 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 639 A C 2.288 179.849 177.584 -0.039 0.000 1.163 639 A CA 1.188 53.219 52.037 -0.010 0.000 0.646 639 A CB -0.539 18.398 19.000 -0.104 0.000 0.806 639 A HN 0.397 nan 8.150 nan 0.000 0.448 640 L N -0.019 121.172 121.223 -0.054 0.000 2.127 640 L HA 0.005 4.345 4.340 -0.000 0.000 0.203 640 L C 1.647 178.521 176.870 0.006 0.000 1.080 640 L CA 0.916 55.718 54.840 -0.064 0.000 0.768 640 L CB -0.801 41.208 42.059 -0.083 0.000 0.924 640 L HN 0.467 nan 8.230 nan 0.000 0.444 641 T N -1.524 113.048 114.554 0.030 0.000 2.928 641 T HA 0.095 4.445 4.350 -0.000 0.000 0.305 641 T C -1.681 173.102 174.700 0.137 0.000 1.035 641 T CA -1.446 60.676 62.100 0.037 0.000 1.145 641 T CB 0.744 69.623 68.868 0.020 0.000 0.963 641 T HN -0.049 nan 8.240 nan 0.000 0.545 642 P HA -0.233 nan 4.420 nan 0.000 0.215 642 P C 1.297 178.557 177.300 -0.068 0.000 1.113 642 P CA 1.012 64.148 63.100 0.059 0.000 0.888 642 P CB -0.196 31.361 31.700 -0.237 0.000 0.553 643 H N -1.245 117.803 119.070 -0.036 0.000 2.506 643 H HA -0.134 4.422 4.556 -0.000 0.000 0.286 643 H C 1.873 177.117 175.328 -0.139 0.000 1.124 643 H CA 1.644 57.623 56.048 -0.115 0.000 1.120 643 H CB -1.419 28.313 29.762 -0.050 0.000 1.332 643 H HN 0.037 nan 8.280 nan 0.000 0.516 644 V N 0.911 120.843 119.914 0.029 0.000 2.535 644 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 644 V C 2.083 178.206 176.094 0.048 0.000 1.045 644 V CA 1.446 63.772 62.300 0.044 0.000 1.058 644 V CB -0.915 30.946 31.823 0.062 0.000 0.689 644 V HN 0.490 nan 8.190 nan 0.000 0.461 645 Y N 0.762 121.090 120.300 0.047 0.000 2.688 645 Y HA 0.029 4.579 4.550 -0.000 0.000 0.311 645 Y C 2.098 178.027 175.900 0.048 0.000 1.185 645 Y CA -0.072 58.052 58.100 0.039 0.000 1.336 645 Y CB -0.876 37.592 38.460 0.013 0.000 1.015 645 Y HN 0.147 nan 8.280 nan 0.000 0.522 646 Q N 1.876 121.530 119.800 -0.243 0.000 2.029 646 Q HA -0.218 4.122 4.340 -0.000 0.000 0.209 646 Q C 1.876 177.866 176.000 -0.016 0.000 0.999 646 Q CA 2.308 58.001 55.803 -0.185 0.000 0.857 646 Q CB -0.339 28.316 28.738 -0.138 0.000 0.926 646 Q HN 0.642 nan 8.270 nan 0.000 0.415 647 K N 0.159 120.561 120.400 0.003 0.000 2.167 647 K HA 0.023 4.343 4.320 -0.000 0.000 0.203 647 K C 2.382 178.956 176.600 -0.042 0.000 1.052 647 K CA 0.346 56.585 56.287 -0.081 0.000 0.956 647 K CB -0.098 32.261 32.500 -0.236 0.000 0.735 647 K HN 0.083 nan 8.250 nan 0.000 0.451 648 L N 1.442 122.723 121.223 0.097 0.000 2.013 648 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 648 L C 2.721 179.652 176.870 0.101 0.000 1.073 648 L CA 1.482 56.397 54.840 0.126 0.000 0.753 648 L CB -0.422 41.730 42.059 0.155 0.000 0.890 648 L HN 0.321 nan 8.230 nan 0.000 0.432 649 E N 0.337 120.634 120.200 0.163 0.000 2.058 649 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 649 E C 2.254 178.920 176.600 0.111 0.000 0.997 649 E CA 1.715 58.215 56.400 0.166 0.000 0.801 649 E CB -0.137 29.727 29.700 0.273 0.000 0.746 649 E HN 0.302 nan 8.360 nan 0.000 0.450 650 L N 1.010 122.276 121.223 0.072 0.000 2.013 650 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 650 L C 2.455 179.364 176.870 0.065 0.000 1.073 650 L CA 1.659 56.526 54.840 0.045 0.000 0.753 650 L CB -0.710 41.340 42.059 -0.015 0.000 0.890 650 L HN 0.270 nan 8.230 nan 0.000 0.432 651 L N -0.426 120.826 121.223 0.048 0.000 2.056 651 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 651 L C 2.362 179.319 176.870 0.145 0.000 1.078 651 L CA 1.981 56.887 54.840 0.111 0.000 0.749 651 L CB -1.278 40.830 42.059 0.082 0.000 0.901 651 L HN 0.335 nan 8.230 nan 0.000 0.433 652 G N -1.167 107.694 108.800 0.101 0.000 2.446 652 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 652 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 652 G C 1.430 176.423 174.900 0.155 0.000 1.168 652 G CA 0.833 46.000 45.100 0.112 0.000 0.771 652 G HN 0.452 nan 8.290 nan 0.000 0.551 653 D N 1.068 121.550 120.400 0.138 0.000 2.106 653 D HA -0.162 4.478 4.640 -0.000 0.000 0.191 653 D C 2.828 179.197 176.300 0.114 0.000 0.997 653 D CA 1.571 55.647 54.000 0.127 0.000 0.834 653 D CB -0.344 40.522 40.800 0.109 0.000 0.956 653 D HN 0.232 nan 8.370 nan 0.000 0.448 654 A N 0.354 123.259 122.820 0.142 0.000 1.859 654 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 654 A C 2.290 179.918 177.584 0.073 0.000 1.198 654 A CA 1.727 53.867 52.037 0.171 0.000 0.629 654 A CB -1.375 17.811 19.000 0.311 0.000 0.830 654 A HN 0.404 nan 8.150 nan 0.000 0.446 655 F N 0.223 120.054 119.950 -0.199 0.000 2.095 655 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 655 F C 1.891 177.529 175.800 -0.270 0.000 1.104 655 F CA 1.842 59.490 58.000 -0.588 0.000 1.232 655 F CB -0.409 38.205 39.000 -0.643 0.000 0.987 655 F HN 0.209 nan 8.300 nan 0.000 0.475 656 L N 1.213 122.393 121.223 -0.071 0.000 2.012 656 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 656 L C 2.459 179.240 176.870 -0.147 0.000 1.073 656 L CA 2.225 57.022 54.840 -0.072 0.000 0.748 656 L CB -1.230 40.904 42.059 0.124 0.000 0.891 656 L HN 0.270 nan 8.230 nan 0.000 0.431 657 K N -1.356 118.989 120.400 -0.091 0.000 2.063 657 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 657 K C 2.332 178.847 176.600 -0.141 0.000 1.048 657 K CA 1.828 58.072 56.287 -0.072 0.000 0.928 657 K CB -0.557 31.933 32.500 -0.018 0.000 0.713 657 K HN 0.593 nan 8.250 nan 0.000 0.442 658 C N 0.159 119.313 119.300 -0.244 0.000 2.462 658 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 658 C C 3.003 177.781 174.990 -0.352 0.000 1.253 658 C CA 1.481 60.316 59.018 -0.305 0.000 1.713 658 C CB -0.907 26.610 27.740 -0.373 0.000 2.049 658 C HN 0.691 nan 8.230 nan 0.000 0.477 659 S N 0.047 115.407 115.700 -0.567 0.000 2.377 659 S HA -0.199 4.270 4.470 -0.000 0.000 0.224 659 S C 1.818 176.402 174.600 -0.027 0.000 1.042 659 S CA 2.250 60.205 58.200 -0.408 0.000 1.086 659 S CB -0.599 62.244 63.200 -0.596 0.000 0.995 659 S HN 0.654 nan 8.310 nan 0.000 0.428 660 L N 1.189 122.395 121.223 -0.028 0.000 1.971 660 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 660 L C 2.979 179.879 176.870 0.050 0.000 1.072 660 L CA 1.585 56.453 54.840 0.047 0.000 0.758 660 L CB -0.993 41.066 42.059 -0.000 0.000 0.889 660 L HN 0.505 nan 8.230 nan 0.000 0.433 661 A N -0.166 122.648 122.820 -0.009 0.000 1.915 661 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 661 A C 2.303 179.903 177.584 0.028 0.000 1.198 661 A CA 2.298 54.334 52.037 -0.002 0.000 0.647 661 A CB -0.985 17.979 19.000 -0.059 0.000 0.825 661 A HN 0.462 nan 8.150 nan 0.000 0.456 662 L N -1.772 119.440 121.223 -0.018 0.000 1.976 662 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 662 L C 2.589 179.458 176.870 -0.002 0.000 1.071 662 L CA 2.370 57.208 54.840 -0.003 0.000 0.746 662 L CB -0.540 41.474 42.059 -0.075 0.000 0.890 662 L HN 0.597 nan 8.230 nan 0.000 0.432 663 H N -0.576 118.495 119.070 0.002 0.000 2.426 663 H HA -0.203 4.353 4.556 -0.000 0.000 0.298 663 H C 2.160 177.447 175.328 -0.070 0.000 1.107 663 H CA 1.910 57.940 56.048 -0.029 0.000 1.298 663 H CB -0.030 29.703 29.762 -0.048 0.000 1.377 663 H HN 0.306 nan 8.280 nan 0.000 0.519 664 L N -1.115 120.152 121.223 0.073 0.000 2.068 664 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 664 L C 2.406 179.264 176.870 -0.021 0.000 1.076 664 L CA 1.316 56.152 54.840 -0.007 0.000 0.753 664 L CB -0.613 41.512 42.059 0.110 0.000 0.910 664 L HN 0.349 nan 8.230 nan 0.000 0.439 665 H N 0.679 119.736 119.070 -0.023 0.000 2.362 665 H HA -0.240 4.316 4.556 -0.000 0.000 0.294 665 H C 2.072 177.370 175.328 -0.050 0.000 1.113 665 H CA 2.042 58.085 56.048 -0.008 0.000 1.253 665 H CB 0.087 29.858 29.762 0.015 0.000 1.363 665 H HN 0.326 nan 8.280 nan 0.000 0.494 666 A N 0.093 122.866 122.820 -0.078 0.000 1.872 666 A HA -0.015 4.304 4.320 -0.000 0.000 0.214 666 A C 2.624 180.069 177.584 -0.233 0.000 1.187 666 A CA 1.186 53.132 52.037 -0.152 0.000 0.614 666 A CB -0.751 18.209 19.000 -0.067 0.000 0.826 666 A HN 0.463 nan 8.150 nan 0.000 0.442 667 L N -0.774 120.275 121.223 -0.290 0.000 2.131 667 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 667 L C 0.390 176.895 176.870 -0.607 0.000 1.092 667 L CA 0.742 55.285 54.840 -0.494 0.000 0.759 667 L CB -0.217 41.408 42.059 -0.723 0.000 0.903 667 L HN 0.454 nan 8.230 nan 0.000 0.435 668 H N -1.090 117.902 119.070 -0.130 0.000 2.348 668 H HA 0.205 4.761 4.556 -0.000 0.000 0.232 668 H C -1.715 173.484 175.328 -0.214 0.000 1.419 668 H CA -2.193 53.766 56.048 -0.149 0.000 1.416 668 H CB 0.271 29.988 29.762 -0.075 0.000 1.510 668 H HN 0.078 nan 8.280 nan 0.000 0.507 669 P HA -0.147 nan 4.420 nan 0.000 0.223 669 P C 1.289 178.476 177.300 -0.189 0.000 1.144 669 P CA 1.296 64.145 63.100 -0.418 0.000 0.783 669 P CB 0.175 31.234 31.700 -1.068 0.000 0.771 670 T N -4.359 110.131 114.554 -0.107 0.000 3.014 670 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 670 T C 1.020 175.735 174.700 0.026 0.000 1.060 670 T CA -0.226 61.874 62.100 -0.001 0.000 1.040 670 T CB -0.508 68.365 68.868 0.008 0.000 0.971 670 T HN -0.059 nan 8.240 nan 0.000 0.497 671 L N 2.869 124.107 121.223 0.024 0.000 2.472 671 L HA 0.416 4.755 4.340 -0.000 0.000 0.260 671 L C 1.240 178.148 176.870 0.064 0.000 1.209 671 L CA -0.541 54.318 54.840 0.032 0.000 0.817 671 L CB 0.617 42.691 42.059 0.023 0.000 1.106 671 L HN 0.364 nan 8.230 nan 0.000 0.479 672 T N -3.534 111.054 114.554 0.057 0.000 2.819 672 T HA 0.187 4.537 4.350 -0.000 0.000 0.271 672 T C 0.778 175.523 174.700 0.074 0.000 0.986 672 T CA -0.649 61.496 62.100 0.075 0.000 0.989 672 T CB 1.343 70.246 68.868 0.059 0.000 1.396 672 T HN 0.682 nan 8.240 nan 0.000 0.597 673 E N 0.566 120.811 120.200 0.075 0.000 2.037 673 E HA -0.212 4.138 4.350 -0.000 0.000 0.214 673 E C 2.191 178.819 176.600 0.047 0.000 1.041 673 E CA 2.048 58.488 56.400 0.066 0.000 0.872 673 E CB -1.236 28.502 29.700 0.063 0.000 0.785 673 E HN 0.785 nan 8.360 nan 0.000 0.476 674 G N 0.795 109.615 108.800 0.034 0.000 2.681 674 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.220 674 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.220 674 G C 1.689 176.599 174.900 0.017 0.000 1.210 674 G CA 2.380 47.492 45.100 0.021 0.000 0.783 674 G HN 0.563 nan 8.290 nan 0.000 0.609 675 A N 0.662 123.489 122.820 0.012 0.000 1.870 675 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 675 A C 2.533 180.127 177.584 0.017 0.000 1.224 675 A CA 2.017 54.053 52.037 -0.001 0.000 0.650 675 A CB -0.796 18.195 19.000 -0.015 0.000 0.836 675 A HN 0.429 nan 8.150 nan 0.000 0.454 676 L N -0.866 120.384 121.223 0.046 0.000 2.129 676 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 676 L C 2.782 179.683 176.870 0.052 0.000 1.087 676 L CA 1.801 56.685 54.840 0.073 0.000 0.757 676 L CB -1.088 41.030 42.059 0.099 0.000 0.896 676 L HN 0.461 nan 8.230 nan 0.000 0.434 677 T N -0.830 113.747 114.554 0.038 0.000 2.612 677 T HA -0.161 4.189 4.350 -0.000 0.000 0.259 677 T C 1.995 176.707 174.700 0.020 0.000 1.065 677 T CA 1.117 63.234 62.100 0.028 0.000 1.167 677 T CB -0.189 68.694 68.868 0.025 0.000 0.863 677 T HN 0.187 nan 8.240 nan 0.000 0.407 678 R N 0.657 121.165 120.500 0.013 0.000 2.133 678 R HA -0.081 4.259 4.340 -0.000 0.000 0.247 678 R C 2.546 178.848 176.300 0.003 0.000 1.151 678 R CA 1.644 57.747 56.100 0.004 0.000 0.971 678 R CB -0.467 29.832 30.300 -0.003 0.000 0.866 678 R HN 0.442 nan 8.270 nan 0.000 0.447 679 M N -0.126 119.480 119.600 0.010 0.000 2.059 679 M HA -0.183 4.297 4.480 -0.000 0.000 0.259 679 M C 2.412 178.723 176.300 0.018 0.000 1.072 679 M CA 1.980 57.289 55.300 0.014 0.000 1.117 679 M CB -0.384 32.238 32.600 0.035 0.000 1.320 679 M HN 0.159 nan 8.290 nan 0.000 0.408 680 R N 0.626 121.142 120.500 0.026 0.000 2.092 680 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 680 R C 1.799 178.103 176.300 0.007 0.000 1.119 680 R CA 1.473 57.584 56.100 0.017 0.000 0.970 680 R CB -0.756 29.556 30.300 0.021 0.000 0.864 680 R HN 0.468 nan 8.270 nan 0.000 0.440 681 Q N 1.453 121.257 119.800 0.008 0.000 2.234 681 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 681 Q C 2.353 178.350 176.000 -0.004 0.000 0.980 681 Q CA 1.860 57.666 55.803 0.005 0.000 0.869 681 Q CB -0.099 28.643 28.738 0.007 0.000 0.912 681 Q HN 0.604 nan 8.270 nan 0.000 0.436 682 S N 0.665 116.361 115.700 -0.007 0.000 2.368 682 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 682 S C 1.865 176.449 174.600 -0.027 0.000 1.030 682 S CA 1.033 59.223 58.200 -0.017 0.000 0.999 682 S CB -0.150 63.040 63.200 -0.017 0.000 0.844 682 S HN 0.360 nan 8.310 nan 0.000 0.459 683 A N 0.172 122.975 122.820 -0.028 0.000 2.337 683 A HA 0.392 4.712 4.320 -0.000 0.000 0.227 683 A C 1.683 179.241 177.584 -0.043 0.000 1.259 683 A CA -0.033 51.976 52.037 -0.047 0.000 0.870 683 A CB -0.176 18.794 19.000 -0.050 0.000 0.927 683 A HN 0.648 nan 8.150 nan 0.000 0.497 684 E N 0.006 120.194 120.200 -0.021 0.000 2.413 684 E HA 0.009 4.359 4.350 -0.000 0.000 0.203 684 E C 0.390 176.989 176.600 -0.002 0.000 0.957 684 E CA 0.394 56.792 56.400 -0.002 0.000 0.950 684 E CB 0.274 29.983 29.700 0.016 0.000 0.957 684 E HN 0.674 nan 8.360 nan 0.000 0.497 685 T N 0.281 114.827 114.554 -0.014 0.000 2.946 685 T HA -0.077 4.273 4.350 -0.000 0.000 0.312 685 T C 1.014 175.704 174.700 -0.017 0.000 1.066 685 T CA -0.146 61.948 62.100 -0.010 0.000 1.138 685 T CB 1.017 69.874 68.868 -0.018 0.000 1.014 685 T HN -0.036 nan 8.240 nan 0.000 0.544 686 N N 2.249 120.951 118.700 0.002 0.000 2.011 686 N HA -0.261 4.479 4.740 -0.000 0.000 0.199 686 N C 2.166 177.664 175.510 -0.019 0.000 1.047 686 N CA 2.488 55.544 53.050 0.010 0.000 0.863 686 N CB -0.798 37.708 38.487 0.032 0.000 1.056 686 N HN 0.897 nan 8.380 nan 0.000 0.427 687 S N 0.415 116.101 115.700 -0.024 0.000 2.390 687 S HA -0.198 4.272 4.470 -0.000 0.000 0.234 687 S C 2.328 176.878 174.600 -0.082 0.000 1.063 687 S CA 2.366 60.537 58.200 -0.048 0.000 1.108 687 S CB -1.178 61.995 63.200 -0.045 0.000 0.975 687 S HN 0.177 nan 8.310 nan 0.000 0.442 688 V N 2.612 122.473 119.914 -0.089 0.000 2.237 688 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 688 V C 2.662 178.634 176.094 -0.203 0.000 1.046 688 V CA 2.147 64.370 62.300 -0.128 0.000 1.007 688 V CB -0.974 30.782 31.823 -0.112 0.000 0.638 688 V HN 0.495 nan 8.190 nan 0.000 0.445 689 L N 0.371 121.464 121.223 -0.218 0.000 2.083 689 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 689 L C 2.664 179.356 176.870 -0.296 0.000 1.083 689 L CA 1.647 56.248 54.840 -0.398 0.000 0.752 689 L CB -1.267 40.659 42.059 -0.222 0.000 0.899 689 L HN 0.486 nan 8.230 nan 0.000 0.433 690 G N 0.159 108.898 108.800 -0.101 0.000 2.433 690 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 690 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 690 G C 1.705 176.572 174.900 -0.056 0.000 1.186 690 G CA 0.532 45.637 45.100 0.008 0.000 0.779 690 G HN 0.286 nan 8.290 nan 0.000 0.543 691 R N -0.017 120.403 120.500 -0.132 0.000 2.117 691 R HA -0.034 4.306 4.340 -0.000 0.000 0.243 691 R C 2.627 178.838 176.300 -0.147 0.000 1.143 691 R CA 1.125 57.136 56.100 -0.148 0.000 0.968 691 R CB -0.582 29.629 30.300 -0.148 0.000 0.863 691 R HN 0.349 nan 8.270 nan 0.000 0.444 692 L N -0.002 121.091 121.223 -0.217 0.000 2.012 692 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 692 L C 2.338 179.149 176.870 -0.098 0.000 1.073 692 L CA 1.589 56.267 54.840 -0.270 0.000 0.748 692 L CB -0.909 40.815 42.059 -0.558 0.000 0.891 692 L HN 0.216 nan 8.230 nan 0.000 0.431 693 T N -0.362 114.267 114.554 0.126 0.000 2.822 693 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 693 T C 1.812 176.756 174.700 0.407 0.000 1.064 693 T CA 1.340 63.721 62.100 0.469 0.000 1.131 693 T CB -0.138 68.993 68.868 0.438 0.000 0.858 693 T HN 0.351 nan 8.240 nan 0.000 0.483 694 K N 0.534 121.031 120.400 0.160 0.000 2.243 694 K HA 0.133 4.453 4.320 -0.000 0.000 0.201 694 K C 2.259 178.882 176.600 0.038 0.000 1.051 694 K CA 0.364 56.713 56.287 0.103 0.000 0.970 694 K CB -0.007 32.469 32.500 -0.039 0.000 0.755 694 K HN 0.199 nan 8.250 nan 0.000 0.465 695 R N 0.337 120.782 120.500 -0.093 0.000 2.377 695 R HA -0.016 4.324 4.340 -0.000 0.000 0.207 695 R C -0.087 176.096 176.300 -0.195 0.000 1.075 695 R CA 0.422 56.413 56.100 -0.183 0.000 1.035 695 R CB -0.181 29.942 30.300 -0.295 0.000 0.857 695 R HN -0.001 nan 8.270 nan 0.000 0.475 696 F N 1.935 121.895 119.950 0.016 0.000 2.389 696 F HA 0.192 4.719 4.527 -0.000 0.000 0.337 696 F C -1.432 174.379 175.800 0.018 0.000 1.112 696 F CA -3.041 54.970 58.000 0.019 0.000 1.192 696 F CB 0.296 39.319 39.000 0.038 0.000 1.185 696 F HN -0.142 nan 8.300 nan 0.000 0.552 697 P HA -0.065 nan 4.420 nan 0.000 0.256 697 P C 0.638 178.008 177.300 0.116 0.000 1.173 697 P CA 0.509 63.684 63.100 0.125 0.000 0.768 697 P CB 0.562 32.322 31.700 0.100 0.000 0.758 698 S N 2.786 118.541 115.700 0.091 0.000 2.511 698 S HA -0.309 4.161 4.470 -0.000 0.000 0.279 698 S C 1.734 176.377 174.600 0.072 0.000 1.169 698 S CA 2.142 60.391 58.200 0.082 0.000 1.101 698 S CB -2.109 61.125 63.200 0.057 0.000 0.979 698 S HN 0.306 nan 8.310 nan 0.000 0.460 699 V N 1.726 121.672 119.914 0.054 0.000 2.357 699 V HA -0.261 3.859 4.120 -0.000 0.000 0.257 699 V C 2.530 178.637 176.094 0.022 0.000 1.082 699 V CA 2.099 64.417 62.300 0.030 0.000 1.078 699 V CB -1.239 30.593 31.823 0.013 0.000 0.663 699 V HN 0.575 nan 8.190 nan 0.000 0.455 700 V N -0.121 119.814 119.914 0.035 0.000 2.229 700 V HA -0.222 3.898 4.120 -0.000 0.000 0.243 700 V C 2.503 178.633 176.094 0.059 0.000 1.042 700 V CA 2.274 64.582 62.300 0.014 0.000 1.000 700 V CB -0.910 30.928 31.823 0.026 0.000 0.637 700 V HN 0.583 nan 8.190 nan 0.000 0.446 701 S N -0.164 115.615 115.700 0.131 0.000 2.392 701 S HA -0.296 4.174 4.470 -0.000 0.000 0.232 701 S C 1.851 176.523 174.600 0.120 0.000 1.041 701 S CA 2.003 60.317 58.200 0.190 0.000 1.026 701 S CB -0.425 62.899 63.200 0.205 0.000 0.845 701 S HN 0.715 nan 8.310 nan 0.000 0.465 702 E N 0.598 120.844 120.200 0.077 0.000 2.051 702 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 702 E C 2.156 178.770 176.600 0.023 0.000 0.991 702 E CA 1.334 57.764 56.400 0.050 0.000 0.799 702 E CB -0.330 29.392 29.700 0.037 0.000 0.748 702 E HN 0.312 nan 8.360 nan 0.000 0.449 703 V N 1.970 121.886 119.914 0.004 0.000 2.392 703 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 703 V C 2.250 178.321 176.094 -0.039 0.000 1.059 703 V CA 1.142 63.428 62.300 -0.024 0.000 1.051 703 V CB -0.496 31.304 31.823 -0.039 0.000 0.658 703 V HN 0.264 nan 8.190 nan 0.000 0.455 704 I N 0.190 120.742 120.570 -0.029 0.000 2.076 704 I HA -0.239 3.931 4.170 -0.000 0.000 0.237 704 I C 2.420 178.551 176.117 0.024 0.000 1.059 704 I CA 2.082 63.364 61.300 -0.031 0.000 1.317 704 I CB -1.057 36.837 38.000 -0.176 0.000 1.037 704 I HN 0.252 nan 8.210 nan 0.000 0.398 705 I N 0.679 121.267 120.570 0.030 0.000 2.315 705 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 705 I C 2.538 178.670 176.117 0.025 0.000 1.125 705 I CA 1.333 62.669 61.300 0.061 0.000 1.392 705 I CB -0.485 37.563 38.000 0.080 0.000 1.065 705 I HN 0.265 nan 8.210 nan 0.000 0.424 706 E N 1.379 121.575 120.200 -0.007 0.000 2.077 706 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 706 E C 2.114 178.663 176.600 -0.085 0.000 0.989 706 E CA 1.902 58.283 56.400 -0.031 0.000 0.800 706 E CB -0.138 29.544 29.700 -0.029 0.000 0.746 706 E HN 0.351 nan 8.360 nan 0.000 0.452 707 S N -0.453 115.142 115.700 -0.175 0.000 2.496 707 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 707 S C -0.093 174.176 174.600 -0.552 0.000 0.996 707 S CA 0.078 58.059 58.200 -0.366 0.000 0.927 707 S CB -0.105 62.802 63.200 -0.488 0.000 0.774 707 S HN 0.295 nan 8.310 nan 0.000 0.524 708 H N 1.607 120.653 119.070 -0.040 0.000 2.860 708 H HA 0.313 4.869 4.556 0.000 0.000 0.312 708 H C -2.963 172.357 175.328 -0.012 0.000 0.995 708 H CA -2.288 53.740 56.048 -0.033 0.000 1.311 708 H CB 0.982 30.710 29.762 -0.057 0.000 1.478 708 H HN 0.135 nan 8.280 nan 0.000 0.508 709 P HA 0.019 nan 4.420 nan 0.000 0.271 709 P C -0.165 177.176 177.300 0.069 0.000 1.216 709 P CA -0.249 62.888 63.100 0.061 0.000 0.771 709 P CB 1.173 32.899 31.700 0.043 0.000 0.864 710 K N 1.064 121.499 120.400 0.059 0.000 3.311 710 K HA -0.190 4.130 4.320 -0.000 0.000 0.270 710 K C 0.477 177.116 176.600 0.064 0.000 0.927 710 K CA 0.365 56.685 56.287 0.055 0.000 0.706 710 K CB -1.640 30.886 32.500 0.043 0.000 1.418 710 K HN 0.460 nan 8.250 nan 0.000 0.459 711 I N -2.223 118.396 120.570 0.082 0.000 2.783 711 I HA 0.287 4.457 4.170 -0.000 0.000 0.312 711 I C 0.421 176.608 176.117 0.117 0.000 0.988 711 I CA -0.477 60.875 61.300 0.087 0.000 1.182 711 I CB 0.855 38.901 38.000 0.075 0.000 1.368 711 I HN 0.038 nan 8.210 nan 0.000 0.511 712 Q N 2.748 122.626 119.800 0.130 0.000 2.297 712 Q HA 0.398 4.738 4.340 -0.000 0.000 0.268 712 Q C -1.967 174.127 176.000 0.157 0.000 1.045 712 Q CA -1.629 54.245 55.803 0.118 0.000 0.861 712 Q CB 1.740 30.515 28.738 0.062 0.000 1.344 712 Q HN 0.405 nan 8.270 nan 0.000 0.452 713 P HA -0.196 nan 4.420 nan 0.000 0.218 713 P C 0.358 177.528 177.300 -0.217 0.000 1.146 713 P CA 1.413 64.401 63.100 -0.188 0.000 0.813 713 P CB 0.175 31.789 31.700 -0.144 0.000 0.778 714 D N -2.005 118.362 120.400 -0.055 0.000 2.340 714 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 714 D C 0.566 176.899 176.300 0.055 0.000 1.081 714 D CA -0.017 53.967 54.000 -0.027 0.000 0.842 714 D CB -0.393 40.395 40.800 -0.020 0.000 0.934 714 D HN -0.005 nan 8.370 nan 0.000 0.511 715 S N 0.312 116.105 115.700 0.156 0.000 2.580 715 S HA -0.019 4.451 4.470 -0.000 0.000 0.261 715 S C 1.293 175.990 174.600 0.163 0.000 1.366 715 S CA -0.132 58.171 58.200 0.172 0.000 0.996 715 S CB 1.098 64.419 63.200 0.202 0.000 0.902 715 S HN 0.136 nan 8.310 nan 0.000 0.566 716 K N 1.299 121.744 120.400 0.075 0.000 2.067 716 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 716 K C 2.089 178.713 176.600 0.041 0.000 1.048 716 K CA 1.063 57.386 56.287 0.060 0.000 0.954 716 K CB -0.718 31.805 32.500 0.038 0.000 0.737 716 K HN 0.460 nan 8.250 nan 0.000 0.444 717 V N 1.560 121.437 119.914 -0.061 0.000 2.418 717 V HA -0.311 3.809 4.120 -0.000 0.000 0.258 717 V C 2.036 178.017 176.094 -0.188 0.000 1.088 717 V CA 1.859 64.046 62.300 -0.188 0.000 1.091 717 V CB -0.843 30.714 31.823 -0.442 0.000 0.669 717 V HN 0.218 nan 8.190 nan 0.000 0.461 718 Y N 1.043 121.314 120.300 -0.049 0.000 2.114 718 Y HA -0.093 4.457 4.550 -0.000 0.000 0.284 718 Y C 2.554 178.470 175.900 0.027 0.000 1.143 718 Y CA 1.817 59.913 58.100 -0.008 0.000 1.135 718 Y CB -1.127 37.331 38.460 -0.003 0.000 0.980 718 Y HN 0.266 nan 8.280 nan 0.000 0.499 719 G N -0.740 108.170 108.800 0.183 0.000 2.394 719 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 719 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 719 G C 1.053 176.047 174.900 0.156 0.000 1.165 719 G CA 1.166 46.349 45.100 0.138 0.000 0.784 719 G HN 0.307 nan 8.290 nan 0.000 0.535 720 D N 0.333 120.784 120.400 0.084 0.000 2.178 720 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 720 D C 2.925 179.170 176.300 -0.092 0.000 0.980 720 D CA 1.725 55.758 54.000 0.055 0.000 0.842 720 D CB -0.272 40.585 40.800 0.095 0.000 0.948 720 D HN 0.458 nan 8.370 nan 0.000 0.472 721 T N -1.880 112.545 114.554 -0.215 0.000 2.904 721 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 721 T C 1.872 176.534 174.700 -0.064 0.000 1.059 721 T CA 0.261 62.164 62.100 -0.328 0.000 1.137 721 T CB -0.639 68.035 68.868 -0.324 0.000 0.879 721 T HN 0.132 nan 8.240 nan 0.000 0.467 722 F N 2.651 122.591 119.950 -0.018 0.000 2.069 722 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 722 F C 2.326 178.185 175.800 0.098 0.000 1.113 722 F CA 1.774 59.832 58.000 0.098 0.000 1.214 722 F CB -0.334 38.754 39.000 0.146 0.000 0.978 722 F HN 0.179 nan 8.300 nan 0.000 0.474 723 E N 0.260 120.591 120.200 0.217 0.000 2.118 723 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 723 E C 2.348 178.946 176.600 -0.002 0.000 0.992 723 E CA 0.965 57.442 56.400 0.128 0.000 0.804 723 E CB -0.459 29.350 29.700 0.182 0.000 0.741 723 E HN 0.538 nan 8.360 nan 0.000 0.458 724 A N 1.534 124.340 122.820 -0.024 0.000 1.902 724 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 724 A C 2.138 179.643 177.584 -0.131 0.000 1.181 724 A CA 1.075 53.090 52.037 -0.036 0.000 0.623 724 A CB -0.392 18.561 19.000 -0.080 0.000 0.818 724 A HN 0.085 nan 8.150 nan 0.000 0.443 725 I N -0.416 120.020 120.570 -0.222 0.000 2.076 725 I HA -0.225 3.945 4.170 -0.000 0.000 0.237 725 I C 2.441 178.320 176.117 -0.396 0.000 1.059 725 I CA 1.492 62.596 61.300 -0.327 0.000 1.317 725 I CB -1.616 36.152 38.000 -0.387 0.000 1.037 725 I HN 0.388 nan 8.210 nan 0.000 0.398 726 L N 1.576 122.529 121.223 -0.450 0.000 2.054 726 L HA -0.276 4.064 4.340 -0.000 0.000 0.220 726 L C 2.538 179.227 176.870 -0.302 0.000 1.081 726 L CA 2.558 57.177 54.840 -0.368 0.000 0.780 726 L CB -1.022 40.974 42.059 -0.104 0.000 0.893 726 L HN 0.278 nan 8.230 nan 0.000 0.438 727 A N -0.794 121.908 122.820 -0.197 0.000 1.902 727 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 727 A C 2.476 179.951 177.584 -0.180 0.000 1.181 727 A CA 2.044 53.986 52.037 -0.158 0.000 0.623 727 A CB -1.255 17.725 19.000 -0.033 0.000 0.818 727 A HN 0.655 nan 8.150 nan 0.000 0.443 728 A N -0.380 122.322 122.820 -0.198 0.000 1.948 728 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 728 A C 1.970 179.398 177.584 -0.260 0.000 1.177 728 A CA 1.883 53.785 52.037 -0.224 0.000 0.636 728 A CB -0.572 18.278 19.000 -0.250 0.000 0.815 728 A HN 0.443 nan 8.150 nan 0.000 0.449 729 I N -0.808 119.561 120.570 -0.334 0.000 2.193 729 I HA -0.155 4.015 4.170 -0.000 0.000 0.240 729 I C 2.315 178.276 176.117 -0.260 0.000 1.084 729 I CA 1.209 62.309 61.300 -0.333 0.000 1.365 729 I CB -0.680 37.026 38.000 -0.490 0.000 1.064 729 I HN 0.436 nan 8.210 nan 0.000 0.410 730 L N 0.499 121.510 121.223 -0.352 0.000 1.971 730 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 730 L C 2.347 179.162 176.870 -0.092 0.000 1.072 730 L CA 2.008 56.608 54.840 -0.399 0.000 0.758 730 L CB -0.910 40.687 42.059 -0.771 0.000 0.889 730 L HN 0.177 nan 8.230 nan 0.000 0.433 731 L N -0.504 120.712 121.223 -0.012 0.000 2.043 731 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 731 L C 2.553 179.632 176.870 0.348 0.000 1.075 731 L CA 1.586 56.561 54.840 0.225 0.000 0.752 731 L CB -0.800 41.346 42.059 0.145 0.000 0.891 731 L HN 0.536 nan 8.230 nan 0.000 0.432 732 A N -2.323 120.601 122.820 0.174 0.000 1.942 732 A HA -0.048 4.272 4.320 -0.000 0.000 0.209 732 A C 2.027 179.751 177.584 0.234 0.000 1.214 732 A CA 0.704 52.943 52.037 0.337 0.000 0.686 732 A CB -0.514 18.476 19.000 -0.016 0.000 0.871 732 A HN 0.486 nan 8.150 nan 0.000 0.460 733 C N -0.629 118.659 119.300 -0.021 0.000 2.799 733 C HA 0.537 4.997 4.460 -0.000 0.000 0.267 733 C C 1.395 176.158 174.990 -0.379 0.000 1.257 733 C CA 0.070 58.947 59.018 -0.235 0.000 1.702 733 C CB -1.277 26.368 27.740 -0.159 0.000 1.934 733 C HN 1.080 nan 8.230 nan 0.000 0.594 734 G N 0.945 109.682 108.800 -0.105 0.000 2.661 734 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.685 734 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.685 734 G C 0.038 174.926 174.900 -0.020 0.000 1.298 734 G CA -0.074 45.056 45.100 0.050 0.000 0.855 734 G HN 0.337 nan 8.290 nan 0.000 0.560 735 E N 0.452 120.685 120.200 0.055 0.000 1.999 735 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 735 E C 2.411 179.073 176.600 0.104 0.000 0.995 735 E CA 1.365 57.770 56.400 0.008 0.000 0.825 735 E CB -0.237 29.555 29.700 0.152 0.000 0.777 735 E HN 0.826 nan 8.360 nan 0.000 0.459 736 E N 1.588 121.867 120.200 0.133 0.000 2.169 736 E HA -0.317 4.033 4.350 -0.000 0.000 0.202 736 E C 2.064 178.744 176.600 0.132 0.000 1.016 736 E CA 1.395 57.880 56.400 0.142 0.000 0.817 736 E CB -0.349 29.412 29.700 0.102 0.000 0.736 736 E HN 0.228 nan 8.360 nan 0.000 0.462 737 A N 1.920 124.782 122.820 0.069 0.000 1.873 737 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 737 A C 2.614 180.263 177.584 0.107 0.000 1.193 737 A CA 2.495 54.563 52.037 0.052 0.000 0.629 737 A CB -1.126 17.854 19.000 -0.032 0.000 0.826 737 A HN 0.502 nan 8.150 nan 0.000 0.447 738 A N -0.710 122.145 122.820 0.058 0.000 1.933 738 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 738 A C 2.425 180.267 177.584 0.431 0.000 1.175 738 A CA 1.969 54.086 52.037 0.134 0.000 0.628 738 A CB -1.421 17.443 19.000 -0.228 0.000 0.814 738 A HN 0.819 nan 8.150 nan 0.000 0.444 739 G N -0.484 108.579 108.800 0.438 0.000 2.442 739 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.219 739 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.219 739 G C 1.694 176.791 174.900 0.329 0.000 1.141 739 G CA 1.410 46.775 45.100 0.442 0.000 0.763 739 G HN 0.810 nan 8.290 nan 0.000 0.554 740 A N 0.148 123.114 122.820 0.242 0.000 1.968 740 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 740 A C 2.110 179.734 177.584 0.068 0.000 1.169 740 A CA 1.344 53.460 52.037 0.133 0.000 0.638 740 A CB -0.470 18.598 19.000 0.114 0.000 0.812 740 A HN 0.370 nan 8.150 nan 0.000 0.446 741 F N 0.791 120.760 119.950 0.032 0.000 2.126 741 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 741 F C 2.204 178.028 175.800 0.041 0.000 1.096 741 F CA 1.994 60.035 58.000 0.067 0.000 1.255 741 F CB -0.309 38.783 39.000 0.155 0.000 0.997 741 F HN 0.037 nan 8.300 nan 0.000 0.479 742 V N 1.615 121.592 119.914 0.106 0.000 2.307 742 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 742 V C 2.432 178.342 176.094 -0.305 0.000 1.045 742 V CA 2.306 64.578 62.300 -0.047 0.000 1.024 742 V CB -0.869 30.982 31.823 0.046 0.000 0.651 742 V HN 0.436 nan 8.190 nan 0.000 0.449 743 R N 0.063 120.273 120.500 -0.484 0.000 2.280 743 R HA -0.026 4.314 4.340 -0.000 0.000 0.207 743 R C 1.761 177.855 176.300 -0.343 0.000 1.043 743 R CA 1.140 56.910 56.100 -0.550 0.000 1.006 743 R CB -0.224 29.710 30.300 -0.609 0.000 0.885 743 R HN 0.374 nan 8.270 nan 0.000 0.467 744 E N 0.214 120.169 120.200 -0.409 0.000 2.127 744 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 744 E C 1.401 177.666 176.600 -0.557 0.000 0.964 744 E CA 0.897 56.990 56.400 -0.512 0.000 0.832 744 E CB 0.112 29.383 29.700 -0.715 0.000 0.790 744 E HN 0.571 nan 8.360 nan 0.000 0.465 745 H N -0.837 118.066 119.070 -0.279 0.000 2.481 745 H HA 0.168 4.723 4.556 -0.000 0.000 0.291 745 H C 2.213 177.393 175.328 -0.246 0.000 1.009 745 H CA 0.637 56.509 56.048 -0.294 0.000 1.282 745 H CB 0.197 29.694 29.762 -0.443 0.000 1.457 745 H HN -0.073 nan 8.280 nan 0.000 0.525 746 V N 1.448 121.289 119.914 -0.122 0.000 2.575 746 V HA -0.070 4.050 4.120 -0.000 0.000 0.242 746 V C 2.693 178.713 176.094 -0.123 0.000 1.045 746 V CA 0.588 62.818 62.300 -0.117 0.000 1.065 746 V CB -0.454 31.347 31.823 -0.038 0.000 0.717 746 V HN 0.132 nan 8.190 nan 0.000 0.467 747 L N 0.720 121.846 121.223 -0.162 0.000 2.021 747 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 747 L C -0.072 176.738 176.870 -0.100 0.000 1.074 747 L CA 2.319 57.071 54.840 -0.147 0.000 0.760 747 L CB -1.212 40.714 42.059 -0.222 0.000 0.889 747 L HN 0.316 nan 8.230 nan 0.000 0.433 748 P HA -0.195 nan 4.420 nan 0.000 0.218 748 P C 1.054 178.312 177.300 -0.070 0.000 1.146 748 P CA 1.144 64.195 63.100 -0.081 0.000 0.813 748 P CB -0.023 31.623 31.700 -0.090 0.000 0.778 749 Q N -0.979 118.771 119.800 -0.082 0.000 2.435 749 Q HA 0.034 4.374 4.340 -0.000 0.000 0.207 749 Q C 0.707 176.673 176.000 -0.056 0.000 0.956 749 Q CA 0.167 55.924 55.803 -0.078 0.000 0.917 749 Q CB -0.756 27.919 28.738 -0.104 0.000 0.997 749 Q HN 0.182 nan 8.270 nan 0.000 0.497 750 V N 1.792 121.682 119.914 -0.041 0.000 2.450 750 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 750 V C -0.029 176.056 176.094 -0.015 0.000 1.019 750 V CA -0.135 62.154 62.300 -0.019 0.000 1.062 750 V CB 0.651 32.478 31.823 0.008 0.000 0.979 750 V HN 0.026 nan 8.190 nan 0.000 0.477 751 V N 8.212 128.113 119.914 -0.021 0.000 2.583 751 V HA 0.718 4.838 4.120 -0.000 0.000 0.287 751 V C 0.776 176.855 176.094 -0.025 0.000 1.051 751 V CA -0.019 62.267 62.300 -0.025 0.000 1.010 751 V CB 1.224 33.030 31.823 -0.028 0.000 0.988 751 V HN 1.267 nan 8.190 nan 0.000 0.478 752 A N 4.763 127.564 122.820 -0.032 0.000 2.409 752 A HA 0.276 4.596 4.320 -0.000 0.000 0.262 752 A C 1.026 178.580 177.584 -0.050 0.000 1.113 752 A CA -0.114 51.892 52.037 -0.052 0.000 0.790 752 A CB 0.174 19.139 19.000 -0.058 0.000 1.046 752 A HN 1.003 nan 8.150 nan 0.000 0.496 753 D N 2.009 122.373 120.400 -0.060 0.000 2.126 753 D HA -0.095 4.545 4.640 -0.000 0.000 0.190 753 D C 1.637 177.911 176.300 -0.043 0.000 1.001 753 D CA 1.837 55.808 54.000 -0.048 0.000 0.841 753 D CB -0.586 40.182 40.800 -0.053 0.000 0.949 753 D HN 0.948 nan 8.370 nan 0.000 0.446 754 A N 0.000 122.789 122.820 -0.051 0.000 2.254 754 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 754 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 754 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 754 A HN 0.000 nan 8.150 nan 0.000 0.486