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 1ut6_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.644 174.600 0.074 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N 2.403 122.651 120.200 0.080 0.000 2.338 5 E HA 0.046 4.396 4.350 -0.001 0.000 0.197 5 E C 0.867 177.586 176.600 0.199 0.000 1.007 5 E CA 0.860 57.333 56.400 0.122 0.000 0.849 5 E CB -0.027 29.733 29.700 0.100 0.000 0.774 5 E HN 0.695 nan 8.360 nan 0.000 0.506 6 L N 1.133 122.448 121.223 0.154 0.000 2.628 6 L HA 0.210 4.550 4.340 -0.001 0.000 0.229 6 L C -0.019 177.044 176.870 0.323 0.000 1.137 6 L CA -0.374 54.569 54.840 0.172 0.000 0.909 6 L CB 0.360 42.418 42.059 -0.001 0.000 1.137 6 L HN 0.133 nan 8.230 nan 0.000 0.470 7 L N 0.579 121.959 121.223 0.263 0.000 2.341 7 L HA 0.654 4.994 4.340 -0.001 0.000 0.278 7 L C -0.742 176.201 176.870 0.122 0.000 1.005 7 L CA -0.463 54.511 54.840 0.224 0.000 0.818 7 L CB 1.851 43.985 42.059 0.125 0.000 1.259 7 L HN -0.303 nan 8.230 nan 0.000 0.418 8 V N 4.168 124.111 119.914 0.047 0.000 2.760 8 V HA 0.502 4.622 4.120 -0.001 0.000 0.309 8 V C -0.795 175.200 176.094 -0.165 0.000 1.077 8 V CA -0.783 61.379 62.300 -0.231 0.000 0.910 8 V CB 2.105 33.434 31.823 -0.823 0.000 1.008 8 V HN 0.823 nan 8.190 nan 0.000 0.424 9 N N 2.477 121.033 118.700 -0.241 0.000 2.425 9 N HA 0.613 5.353 4.740 -0.001 0.000 0.268 9 N C -0.264 174.970 175.510 -0.461 0.000 0.991 9 N CA -0.082 52.817 53.050 -0.252 0.000 0.931 9 N CB 1.607 39.939 38.487 -0.258 0.000 1.130 9 N HN 0.937 nan 8.380 nan 0.000 0.493 10 T N 0.012 114.394 114.554 -0.288 0.000 2.938 10 T HA 0.382 4.732 4.350 -0.001 0.000 0.285 10 T C 0.896 175.386 174.700 -0.349 0.000 1.028 10 T CA -0.631 61.285 62.100 -0.306 0.000 1.005 10 T CB 1.047 69.978 68.868 0.105 0.000 1.157 10 T HN 0.408 nan 8.240 nan 0.000 0.550 11 K N 0.226 120.465 120.400 -0.268 0.000 2.442 11 K HA 0.038 4.358 4.320 -0.001 0.000 0.198 11 K C 1.684 178.145 176.600 -0.232 0.000 1.044 11 K CA 0.722 56.878 56.287 -0.218 0.000 0.948 11 K CB -0.066 32.361 32.500 -0.120 0.000 0.762 11 K HN 0.400 nan 8.250 nan 0.000 0.472 12 S N -0.441 115.095 115.700 -0.274 0.000 2.523 12 S HA 0.211 4.680 4.470 -0.001 0.000 0.217 12 S C 0.336 174.213 174.600 -1.205 0.000 0.996 12 S CA 0.215 58.104 58.200 -0.519 0.000 0.921 12 S CB 1.127 64.175 63.200 -0.254 0.000 0.829 12 S HN 0.544 nan 8.310 nan 0.000 0.495 13 G N 1.055 109.374 108.800 -0.803 0.000 2.359 13 G HA2 0.123 4.082 3.960 -0.001 0.000 0.314 13 G HA3 0.123 4.082 3.960 -0.001 0.000 0.314 13 G C -1.786 173.077 174.900 -0.062 0.000 1.364 13 G CA -1.100 43.534 45.100 -0.776 0.000 0.978 13 G HN 0.075 nan 8.290 nan 0.000 0.615 14 K N -0.796 119.734 120.400 0.216 0.000 2.185 14 K HA 0.632 4.952 4.320 -0.001 0.000 0.271 14 K C -0.594 176.348 176.600 0.571 0.000 1.013 14 K CA -0.569 55.894 56.287 0.292 0.000 0.943 14 K CB 2.143 34.761 32.500 0.196 0.000 0.998 14 K HN 0.543 nan 8.250 nan 0.000 0.468 15 V N 3.462 123.649 119.914 0.455 0.000 2.789 15 V HA 0.448 4.567 4.120 -0.001 0.000 0.311 15 V C -1.583 174.794 176.094 0.472 0.000 1.073 15 V CA -0.941 61.687 62.300 0.548 0.000 0.921 15 V CB 2.055 34.259 31.823 0.635 0.000 1.009 15 V HN 0.755 nan 8.190 nan 0.000 0.426 16 M N 5.687 125.538 119.600 0.417 0.000 2.125 16 M HA 0.785 5.265 4.480 -0.001 0.000 0.321 16 M C 0.092 176.512 176.300 0.200 0.000 0.983 16 M CA 0.124 55.606 55.300 0.302 0.000 0.934 16 M CB 1.036 33.732 32.600 0.159 0.000 1.542 16 M HN 0.741 nan 8.290 nan 0.000 0.424 17 G N 1.649 110.465 108.800 0.026 0.000 2.509 17 G HA2 0.617 4.576 3.960 -0.001 0.000 0.269 17 G HA3 0.617 4.576 3.960 -0.001 0.000 0.269 17 G C -1.017 173.686 174.900 -0.328 0.000 1.416 17 G CA -0.300 44.499 45.100 -0.501 0.000 1.052 17 G HN 0.711 nan 8.290 nan 0.000 0.542 18 T N -1.752 112.560 114.554 -0.404 0.000 2.916 18 T HA 0.523 4.873 4.350 -0.001 0.000 0.305 18 T C -0.674 173.891 174.700 -0.224 0.000 1.119 18 T CA -0.698 61.257 62.100 -0.242 0.000 1.008 18 T CB 1.591 70.341 68.868 -0.196 0.000 1.129 18 T HN 0.647 nan 8.240 nan 0.000 0.480 19 R N 2.438 122.853 120.500 -0.141 0.000 2.357 19 R HA 0.696 5.036 4.340 -0.001 0.000 0.296 19 R C -0.606 175.669 176.300 -0.042 0.000 1.052 19 R CA -0.472 55.575 56.100 -0.089 0.000 0.988 19 R CB 0.644 30.883 30.300 -0.102 0.000 1.025 19 R HN 0.543 nan 8.270 nan 0.000 0.469 20 V N 1.994 121.919 119.914 0.018 0.000 2.789 20 V HA 0.707 4.826 4.120 -0.001 0.000 0.311 20 V C -2.646 173.495 176.094 0.078 0.000 1.073 20 V CA -2.617 59.707 62.300 0.040 0.000 0.921 20 V CB 1.859 33.696 31.823 0.023 0.000 1.009 20 V HN 0.822 nan 8.190 nan 0.000 0.426 21 P HA 0.506 nan 4.420 nan 0.000 0.278 21 P C -1.032 176.151 177.300 -0.195 0.000 1.238 21 P CA -0.273 62.754 63.100 -0.122 0.000 0.794 21 P CB 1.739 33.384 31.700 -0.092 0.000 0.955 22 V N 3.525 123.246 119.914 -0.322 0.000 2.697 22 V HA 0.128 4.248 4.120 -0.001 0.000 0.296 22 V C 0.515 176.409 176.094 -0.334 0.000 1.140 22 V CA -0.908 61.210 62.300 -0.303 0.000 0.921 22 V CB 1.314 32.881 31.823 -0.427 0.000 1.036 22 V HN 0.493 nan 8.190 nan 0.000 0.438 23 L N 4.284 125.450 121.223 -0.095 0.000 3.879 23 L HA -0.284 4.055 4.340 -0.001 0.000 0.481 23 L C 1.285 178.074 176.870 -0.136 0.000 1.232 23 L CA 0.812 55.620 54.840 -0.054 0.000 0.736 23 L CB -1.539 40.566 42.059 0.076 0.000 1.511 23 L HN 1.487 nan 8.230 nan 0.000 0.830 24 S N -3.301 112.298 115.700 -0.168 0.000 3.257 24 S HA -0.267 4.202 4.470 -0.001 0.000 0.300 24 S C 0.344 174.771 174.600 -0.289 0.000 1.275 24 S CA 1.487 59.575 58.200 -0.186 0.000 1.023 24 S CB -1.142 62.005 63.200 -0.088 0.000 1.180 24 S HN 0.958 nan 8.310 nan 0.000 0.660 25 S N -0.256 115.177 115.700 -0.445 0.000 2.998 25 S HA 0.885 5.355 4.470 -0.001 0.000 0.307 25 S C -0.915 173.241 174.600 -0.739 0.000 1.063 25 S CA -0.280 57.627 58.200 -0.489 0.000 0.895 25 S CB 1.147 64.137 63.200 -0.350 0.000 1.362 25 S HN 0.756 nan 8.310 nan 0.000 0.657 26 H N -0.527 118.431 119.070 -0.186 0.000 3.037 26 H HA 0.727 5.283 4.556 -0.001 0.000 0.355 26 H C -0.660 174.639 175.328 -0.049 0.000 1.263 26 H CA -0.455 55.521 56.048 -0.120 0.000 1.129 26 H CB 1.368 31.098 29.762 -0.054 0.000 1.861 26 H HN 0.740 nan 8.280 nan 0.000 0.546 27 I N -2.271 118.380 120.570 0.135 0.000 3.263 27 I HA 0.716 4.886 4.170 -0.001 0.000 0.314 27 I C -1.074 175.118 176.117 0.125 0.000 1.269 27 I CA -1.059 60.338 61.300 0.161 0.000 0.942 27 I CB 2.516 40.645 38.000 0.214 0.000 1.305 27 I HN 0.496 nan 8.210 nan 0.000 0.474 28 S N 1.283 117.064 115.700 0.134 0.000 2.654 28 S HA 0.895 5.364 4.470 -0.001 0.000 0.283 28 S C -0.275 174.294 174.600 -0.051 0.000 1.180 28 S CA -0.535 57.665 58.200 0.000 0.000 1.021 28 S CB 1.616 64.838 63.200 0.037 0.000 1.018 28 S HN 0.976 nan 8.310 nan 0.000 0.532 29 A N 1.270 123.876 122.820 -0.357 0.000 2.427 29 A HA 0.739 5.059 4.320 -0.001 0.000 0.298 29 A C -1.486 175.705 177.584 -0.655 0.000 1.036 29 A CA -0.682 51.077 52.037 -0.463 0.000 0.701 29 A CB 0.561 19.252 19.000 -0.515 0.000 1.250 29 A HN 0.633 nan 8.150 nan 0.000 0.412 30 F N 2.903 122.727 119.950 -0.210 0.000 2.359 30 F HA 0.458 4.984 4.527 -0.000 0.000 0.369 30 F C -0.071 175.612 175.800 -0.196 0.000 1.084 30 F CA -0.339 57.617 58.000 -0.073 0.000 1.096 30 F CB 1.137 40.207 39.000 0.117 0.000 1.335 30 F HN 0.367 nan 8.300 nan 0.000 0.457 31 L N 2.112 123.265 121.223 -0.116 0.000 2.325 31 L HA 0.663 5.002 4.340 -0.001 0.000 0.279 31 L C 1.065 177.948 176.870 0.021 0.000 1.054 31 L CA -0.889 53.876 54.840 -0.125 0.000 0.804 31 L CB 1.380 43.272 42.059 -0.279 0.000 1.200 31 L HN 0.822 nan 8.230 nan 0.000 0.436 32 G N 2.934 111.772 108.800 0.063 0.000 2.198 32 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.257 32 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.257 32 G C -0.056 174.899 174.900 0.092 0.000 1.042 32 G CA -0.311 44.827 45.100 0.063 0.000 0.791 32 G HN 0.489 nan 8.290 nan 0.000 0.502 33 I N 2.420 122.977 120.570 -0.022 0.000 2.471 33 I HA 0.223 4.393 4.170 -0.001 0.000 0.286 33 I C -1.205 174.692 176.117 -0.366 0.000 1.079 33 I CA -1.965 59.150 61.300 -0.309 0.000 1.398 33 I CB 1.005 38.810 38.000 -0.325 0.000 1.403 33 I HN 0.007 nan 8.210 nan 0.000 0.530 34 P HA 0.074 nan 4.420 nan 0.000 0.279 34 P C -0.398 176.525 177.300 -0.628 0.000 1.239 34 P CA -0.028 62.556 63.100 -0.861 0.000 0.789 34 P CB 0.802 31.925 31.700 -0.961 0.000 0.933 35 F N 0.299 119.924 119.950 -0.541 0.000 2.798 35 F HA 0.734 5.261 4.527 -0.001 0.000 0.328 35 F C -0.048 175.667 175.800 -0.141 0.000 1.098 35 F CA -0.888 56.883 58.000 -0.383 0.000 1.172 35 F CB 0.026 38.765 39.000 -0.435 0.000 1.072 35 F HN 0.363 nan 8.300 nan 0.000 0.555 36 A N 0.051 122.553 122.820 -0.531 0.000 2.587 36 A HA 0.641 4.960 4.320 -0.001 0.000 0.293 36 A C -0.869 176.536 177.584 -0.299 0.000 1.087 36 A CA -0.717 51.153 52.037 -0.278 0.000 0.692 36 A CB 1.133 19.959 19.000 -0.290 0.000 1.291 36 A HN 0.027 nan 8.150 nan 0.000 0.407 37 E N 0.869 120.987 120.200 -0.136 0.000 2.398 37 E HA 0.289 4.639 4.350 -0.001 0.000 0.263 37 E C -2.332 174.179 176.600 -0.149 0.000 1.046 37 E CA -1.501 54.839 56.400 -0.101 0.000 0.908 37 E CB 0.065 29.749 29.700 -0.028 0.000 0.963 37 E HN 0.252 nan 8.360 nan 0.000 0.431 38 P HA 0.029 nan 4.420 nan 0.000 0.262 38 P C -2.201 175.048 177.300 -0.085 0.000 1.199 38 P CA -0.711 62.323 63.100 -0.110 0.000 0.763 38 P CB 0.070 31.744 31.700 -0.043 0.000 0.790 39 P HA 0.017 nan 4.420 nan 0.000 0.220 39 P C -0.275 176.974 177.300 -0.086 0.000 1.806 39 P CA 0.068 63.122 63.100 -0.077 0.000 0.976 39 P CB -0.069 31.588 31.700 -0.071 0.000 1.952 40 V N -2.341 117.529 119.914 -0.072 0.000 3.193 40 V HA 0.890 5.009 4.120 -0.001 0.000 0.320 40 V C 0.990 177.044 176.094 -0.066 0.000 1.112 40 V CA 0.123 62.377 62.300 -0.075 0.000 1.026 40 V CB 0.653 32.441 31.823 -0.057 0.000 1.128 40 V HN 0.551 nan 8.190 nan 0.000 0.452 41 G N 1.001 109.760 108.800 -0.068 0.000 2.611 41 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.301 41 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.301 41 G C 0.929 175.793 174.900 -0.060 0.000 1.233 41 G CA 1.559 46.626 45.100 -0.055 0.000 0.993 41 G HN 2.147 nan 8.290 nan 0.000 0.553 42 N N -0.539 118.145 118.700 -0.027 0.000 2.585 42 N HA 0.120 4.859 4.740 -0.001 0.000 0.188 42 N C 2.148 177.654 175.510 -0.008 0.000 1.102 42 N CA 2.297 55.343 53.050 -0.005 0.000 0.920 42 N CB -0.342 38.158 38.487 0.022 0.000 0.963 42 N HN 0.533 nan 8.380 nan 0.000 0.447 43 M N -0.178 119.403 119.600 -0.032 0.000 2.514 43 M HA 0.101 4.581 4.480 -0.001 0.000 0.258 43 M C 1.154 177.416 176.300 -0.065 0.000 1.119 43 M CA 0.078 55.361 55.300 -0.029 0.000 1.111 43 M CB -0.661 31.921 32.600 -0.030 0.000 1.390 43 M HN 0.423 nan 8.290 nan 0.000 0.475 44 R N 0.639 121.043 120.500 -0.160 0.000 2.538 44 R HA -0.074 4.266 4.340 -0.001 0.000 0.282 44 R C -0.429 175.661 176.300 -0.351 0.000 1.009 44 R CA 0.624 56.501 56.100 -0.372 0.000 1.063 44 R CB 0.070 29.994 30.300 -0.626 0.000 0.945 44 R HN 0.219 nan 8.270 nan 0.000 0.414 45 F N -0.517 119.434 119.950 0.002 0.000 2.398 45 F HA -0.263 4.264 4.527 -0.001 0.000 0.484 45 F C 0.551 176.334 175.800 -0.029 0.000 0.537 45 F CA 0.809 58.786 58.000 -0.039 0.000 1.491 45 F CB -1.477 37.488 39.000 -0.059 0.000 2.162 45 F HN 0.631 nan 8.300 nan 0.000 0.263 46 R N 1.707 122.285 120.500 0.131 0.000 2.560 46 R HA 0.514 4.854 4.340 -0.001 0.000 0.270 46 R C 0.642 176.976 176.300 0.056 0.000 1.074 46 R CA -0.593 55.557 56.100 0.084 0.000 1.140 46 R CB 0.644 30.979 30.300 0.058 0.000 1.073 46 R HN 0.245 nan 8.270 nan 0.000 0.527 47 R N 1.954 122.486 120.500 0.054 0.000 2.734 47 R HA 0.138 4.478 4.340 -0.001 0.000 0.266 47 R C -2.115 174.214 176.300 0.049 0.000 1.044 47 R CA -1.257 54.874 56.100 0.052 0.000 1.128 47 R CB -0.435 29.902 30.300 0.062 0.000 1.010 47 R HN 0.355 nan 8.270 nan 0.000 0.461 48 P HA 0.076 nan 4.420 nan 0.000 0.272 48 P C -0.982 176.353 177.300 0.059 0.000 1.223 48 P CA -0.066 63.068 63.100 0.057 0.000 0.784 48 P CB 1.000 32.760 31.700 0.102 0.000 0.923 49 E N 2.554 122.777 120.200 0.038 0.000 2.195 49 E HA 0.413 4.762 4.350 -0.001 0.000 0.271 49 E C -2.277 174.356 176.600 0.055 0.000 0.923 49 E CA -2.824 53.603 56.400 0.045 0.000 0.790 49 E CB 0.883 30.601 29.700 0.030 0.000 1.155 49 E HN 0.330 nan 8.360 nan 0.000 0.402 50 P HA 0.009 nan 4.420 nan 0.000 0.268 50 P C -0.665 176.692 177.300 0.095 0.000 1.204 50 P CA -0.372 62.797 63.100 0.115 0.000 0.768 50 P CB 0.600 32.374 31.700 0.123 0.000 0.842 51 K N 3.028 123.492 120.400 0.108 0.000 2.484 51 K HA 0.039 4.359 4.320 -0.001 0.000 0.280 51 K C -0.174 176.520 176.600 0.157 0.000 1.013 51 K CA 0.243 56.596 56.287 0.110 0.000 1.029 51 K CB -0.028 32.548 32.500 0.126 0.000 0.902 51 K HN 0.117 nan 8.250 nan 0.000 0.481 52 K N 5.922 126.416 120.400 0.155 0.000 2.350 52 K HA 0.188 4.508 4.320 -0.001 0.000 0.279 52 K C -2.176 174.533 176.600 0.182 0.000 1.027 52 K CA -1.327 55.044 56.287 0.141 0.000 0.969 52 K CB 0.262 32.842 32.500 0.133 0.000 0.954 52 K HN 0.669 nan 8.250 nan 0.000 0.474 53 P HA 0.152 nan 4.420 nan 0.000 0.270 53 P C -0.843 176.487 177.300 0.049 0.000 1.227 53 P CA -0.199 62.820 63.100 -0.136 0.000 0.788 53 P CB 0.309 31.887 31.700 -0.203 0.000 0.926 54 W N 0.145 121.533 121.300 0.146 0.000 2.844 54 W HA 0.687 5.346 4.660 -0.001 0.000 0.340 54 W C -0.683 175.914 176.519 0.130 0.000 1.093 54 W CA -0.905 56.539 57.345 0.166 0.000 1.212 54 W CB 0.098 29.730 29.460 0.286 0.000 1.422 54 W HN 0.367 nan 8.180 nan 0.000 0.515 55 S N 1.983 117.843 115.700 0.267 0.000 2.707 55 S HA 0.888 5.357 4.470 -0.001 0.000 0.276 55 S C 0.514 175.288 174.600 0.290 0.000 1.179 55 S CA 0.031 58.332 58.200 0.169 0.000 0.992 55 S CB 0.858 64.122 63.200 0.106 0.000 1.030 55 S HN 2.229 nan 8.310 nan 0.000 0.554 56 G N -0.766 108.157 108.800 0.205 0.000 2.741 56 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.222 56 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.222 56 G C -0.898 174.187 174.900 0.308 0.000 1.364 56 G CA -0.394 44.827 45.100 0.202 0.000 0.866 56 G HN 1.590 nan 8.290 nan 0.000 0.555 57 V N 0.818 120.866 119.914 0.224 0.000 2.384 57 V HA 0.489 4.608 4.120 -0.001 0.000 0.287 57 V C 0.294 176.491 176.094 0.172 0.000 1.020 57 V CA -0.581 61.873 62.300 0.257 0.000 0.850 57 V CB 1.759 33.677 31.823 0.157 0.000 0.987 57 V HN 0.720 nan 8.190 nan 0.000 0.436 58 W N 5.389 126.752 121.300 0.105 0.000 2.304 58 W HA 0.195 4.854 4.660 -0.001 0.000 0.313 58 W C 0.357 176.855 176.519 -0.034 0.000 1.323 58 W CA -0.385 56.869 57.345 -0.152 0.000 1.223 58 W CB 0.762 29.955 29.460 -0.444 0.000 1.237 58 W HN 0.627 nan 8.180 nan 0.000 0.535 59 N N 4.752 123.245 118.700 -0.344 0.000 2.400 59 N HA 0.136 4.875 4.740 -0.001 0.000 0.267 59 N C -0.357 175.209 175.510 0.093 0.000 1.208 59 N CA 0.269 53.247 53.050 -0.120 0.000 0.951 59 N CB 0.703 39.049 38.487 -0.235 0.000 1.227 59 N HN 0.371 nan 8.380 nan 0.000 0.488 60 A N 2.751 125.703 122.820 0.220 0.000 3.159 60 A HA 0.197 4.517 4.320 -0.001 0.000 0.301 60 A C 1.062 178.657 177.584 0.018 0.000 1.271 60 A CA -0.401 51.770 52.037 0.224 0.000 0.998 60 A CB -0.432 18.785 19.000 0.361 0.000 1.101 60 A HN 0.624 nan 8.150 nan 0.000 0.610 61 S N -1.064 114.610 115.700 -0.044 0.000 2.512 61 S HA 0.152 4.622 4.470 -0.001 0.000 0.216 61 S C 0.773 175.278 174.600 -0.158 0.000 1.006 61 S CA 0.607 58.731 58.200 -0.126 0.000 0.915 61 S CB -0.219 62.916 63.200 -0.109 0.000 0.824 61 S HN 0.735 nan 8.310 nan 0.000 0.497 62 T N -0.896 113.585 114.554 -0.120 0.000 2.916 62 T HA 0.649 4.999 4.350 -0.001 0.000 0.292 62 T C -0.885 173.776 174.700 -0.066 0.000 1.055 62 T CA -0.756 61.267 62.100 -0.128 0.000 1.009 62 T CB 0.706 69.525 68.868 -0.081 0.000 1.118 62 T HN 0.057 nan 8.240 nan 0.000 0.497 63 Y N 2.799 123.058 120.300 -0.068 0.000 2.578 63 Y HA 0.324 4.874 4.550 -0.001 0.000 0.339 63 Y C -1.395 174.438 175.900 -0.111 0.000 1.231 63 Y CA -1.441 56.620 58.100 -0.065 0.000 1.461 63 Y CB 0.109 38.551 38.460 -0.029 0.000 1.323 63 Y HN 0.532 nan 8.280 nan 0.000 0.590 64 P HA 0.131 nan 4.420 nan 0.000 0.279 64 P C -0.913 176.310 177.300 -0.129 0.000 1.276 64 P CA -0.502 62.475 63.100 -0.205 0.000 0.801 64 P CB 1.083 32.574 31.700 -0.349 0.000 1.127 65 N N -0.483 118.112 118.700 -0.174 0.000 2.326 65 N HA 0.093 4.833 4.740 -0.001 0.000 0.239 65 N C 0.023 175.501 175.510 -0.055 0.000 1.301 65 N CA 0.000 52.993 53.050 -0.095 0.000 0.909 65 N CB -0.002 38.435 38.487 -0.084 0.000 1.156 65 N HN 0.433 nan 8.380 nan 0.000 0.462 66 N N -0.706 117.955 118.700 -0.065 0.000 2.466 66 N HA 0.360 5.100 4.740 -0.001 0.000 0.294 66 N C -0.885 174.586 175.510 -0.065 0.000 1.129 66 N CA -0.791 52.219 53.050 -0.067 0.000 0.931 66 N CB 1.098 39.519 38.487 -0.110 0.000 1.193 66 N HN 0.384 nan 8.380 nan 0.000 0.500 67 c N 1.283 119.849 118.600 -0.056 0.000 2.689 67 c HA 0.033 4.603 4.570 -0.001 0.000 0.409 67 c C 0.648 174.659 174.090 -0.131 0.000 1.293 67 c CA -0.483 55.792 56.329 -0.091 0.000 2.136 67 c CB -0.177 42.308 42.510 -0.041 0.000 2.719 67 c HN 0.529 nan 8.230 nan 0.000 0.644 68 Q N 2.705 122.343 119.800 -0.270 0.000 2.263 68 Q HA 0.167 4.507 4.340 -0.001 0.000 0.289 68 Q C 0.009 175.983 176.000 -0.044 0.000 1.061 68 Q CA 1.062 56.693 55.803 -0.285 0.000 0.927 68 Q CB 0.349 28.628 28.738 -0.765 0.000 1.154 68 Q HN 0.889 nan 8.270 nan 0.000 0.378 69 Q N 1.554 121.412 119.800 0.095 0.000 2.575 69 Q HA 0.328 4.668 4.340 -0.001 0.000 0.290 69 Q C -1.310 174.877 176.000 0.311 0.000 0.963 69 Q CA -1.022 54.933 55.803 0.254 0.000 0.783 69 Q CB 0.832 29.676 28.738 0.176 0.000 1.467 69 Q HN 0.468 nan 8.270 nan 0.000 0.402 70 Y N 1.024 121.539 120.300 0.360 0.000 2.511 70 Y HA 0.391 4.940 4.550 -0.001 0.000 0.332 70 Y C -1.020 175.074 175.900 0.323 0.000 1.177 70 Y CA 0.165 58.500 58.100 0.391 0.000 1.422 70 Y CB 0.974 39.789 38.460 0.591 0.000 1.271 70 Y HN 0.444 nan 8.280 nan 0.000 0.550 71 V N 6.546 126.212 119.914 -0.414 0.000 2.417 71 V HA 0.130 4.250 4.120 -0.001 0.000 0.291 71 V C -0.524 175.388 176.094 -0.302 0.000 1.024 71 V CA -1.072 61.103 62.300 -0.208 0.000 0.861 71 V CB 1.463 33.210 31.823 -0.126 0.000 0.985 71 V HN 0.765 nan 8.190 nan 0.000 0.436 72 D N 3.700 124.130 120.400 0.049 0.000 2.417 72 D HA 0.101 4.740 4.640 -0.001 0.000 0.250 72 D C 0.570 176.937 176.300 0.113 0.000 1.166 72 D CA 0.458 54.575 54.000 0.195 0.000 0.881 72 D CB 0.944 41.949 40.800 0.342 0.000 1.164 72 D HN 0.701 nan 8.370 nan 0.000 0.467 73 E N 2.340 122.590 120.200 0.083 0.000 2.714 73 E HA 0.009 4.358 4.350 -0.001 0.000 0.219 73 E C 1.173 177.741 176.600 -0.054 0.000 0.979 73 E CA -0.290 56.125 56.400 0.024 0.000 1.092 73 E CB 0.647 30.336 29.700 -0.019 0.000 1.049 73 E HN 0.455 nan 8.360 nan 0.000 0.487 74 Q N -0.241 119.487 119.800 -0.120 0.000 2.045 74 Q HA -0.114 4.226 4.340 -0.001 0.000 0.206 74 Q C 0.345 175.842 176.000 -0.837 0.000 0.991 74 Q CA 1.325 56.761 55.803 -0.611 0.000 0.851 74 Q CB -0.016 28.074 28.738 -1.080 0.000 0.911 74 Q HN 0.237 nan 8.270 nan 0.000 0.418 75 F N 0.565 120.588 119.950 0.122 0.000 2.389 75 F HA 0.348 4.875 4.527 -0.001 0.000 0.327 75 F C -2.081 173.801 175.800 0.138 0.000 1.204 75 F CA -3.037 55.016 58.000 0.087 0.000 1.209 75 F CB 0.466 39.506 39.000 0.065 0.000 1.460 75 F HN -0.150 nan 8.300 nan 0.000 0.537 76 P HA 0.045 nan 4.420 nan 0.000 0.257 76 P C 1.055 178.438 177.300 0.138 0.000 1.162 76 P CA 1.433 64.601 63.100 0.114 0.000 0.762 76 P CB 0.462 32.194 31.700 0.054 0.000 0.753 77 G N 2.736 111.607 108.800 0.118 0.000 2.184 77 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.264 77 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.264 77 G C 0.037 175.014 174.900 0.128 0.000 0.975 77 G CA -0.371 44.782 45.100 0.089 0.000 0.642 77 G HN 0.540 nan 8.290 nan 0.000 0.536 78 F N 3.160 123.117 119.950 0.011 0.000 2.444 78 F HA 0.512 5.039 4.527 -0.001 0.000 0.360 78 F C 1.673 177.417 175.800 -0.094 0.000 1.106 78 F CA -0.294 57.665 58.000 -0.067 0.000 1.170 78 F CB 0.965 39.937 39.000 -0.046 0.000 1.113 78 F HN 0.215 nan 8.300 nan 0.000 0.521 79 S N 3.368 118.722 115.700 -0.576 0.000 2.400 79 S HA -0.148 4.322 4.470 -0.001 0.000 0.232 79 S C 2.268 176.479 174.600 -0.648 0.000 1.025 79 S CA 0.983 58.867 58.200 -0.528 0.000 0.993 79 S CB -1.295 61.633 63.200 -0.453 0.000 0.808 79 S HN 0.828 nan 8.310 nan 0.000 0.478 80 G N 1.829 109.827 108.800 -1.337 0.000 2.469 80 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.220 80 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.220 80 G C 1.723 176.797 174.900 0.291 0.000 1.136 80 G CA 1.513 46.113 45.100 -0.833 0.000 0.759 80 G HN 0.825 nan 8.290 nan 0.000 0.562 81 S N -0.593 115.298 115.700 0.318 0.000 2.499 81 S HA 0.141 4.611 4.470 -0.001 0.000 0.225 81 S C 1.816 176.621 174.600 0.342 0.000 1.050 81 S CA 0.556 59.167 58.200 0.685 0.000 0.928 81 S CB 0.076 63.845 63.200 0.949 0.000 0.803 81 S HN 0.229 nan 8.310 nan 0.000 0.506 82 E N 2.668 122.938 120.200 0.116 0.000 2.204 82 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 82 E C 2.099 178.630 176.600 -0.116 0.000 0.989 82 E CA 1.324 57.735 56.400 0.018 0.000 0.824 82 E CB -0.588 29.091 29.700 -0.036 0.000 0.756 82 E HN 0.875 nan 8.360 nan 0.000 0.477 83 M N -2.265 117.161 119.600 -0.289 0.000 2.435 83 M HA -0.088 4.392 4.480 -0.001 0.000 0.262 83 M C 1.382 177.296 176.300 -0.643 0.000 1.065 83 M CA 1.446 56.419 55.300 -0.545 0.000 1.076 83 M CB -0.570 31.565 32.600 -0.774 0.000 1.403 83 M HN 0.009 nan 8.290 nan 0.000 0.454 84 W N 0.968 122.178 121.300 -0.149 0.000 2.812 84 W HA 0.243 4.903 4.660 -0.001 0.000 0.263 84 W C 0.737 177.168 176.519 -0.147 0.000 1.284 84 W CA -0.893 56.344 57.345 -0.180 0.000 1.430 84 W CB -0.135 29.233 29.460 -0.153 0.000 1.088 84 W HN 0.117 nan 8.180 nan 0.000 0.623 85 N N 1.370 120.117 118.700 0.077 0.000 2.399 85 N HA 0.114 4.853 4.740 -0.001 0.000 0.250 85 N C -2.465 173.014 175.510 -0.051 0.000 1.272 85 N CA -1.219 51.849 53.050 0.031 0.000 0.928 85 N CB -0.261 38.246 38.487 0.033 0.000 1.158 85 N HN -0.340 nan 8.380 nan 0.000 0.463 86 P HA 0.102 nan 4.420 nan 0.000 0.268 86 P C -0.204 177.039 177.300 -0.095 0.000 1.204 86 P CA 0.079 63.121 63.100 -0.097 0.000 0.768 86 P CB 0.106 31.758 31.700 -0.080 0.000 0.842 87 N N 1.681 120.309 118.700 -0.121 0.000 2.275 87 N HA 0.151 4.891 4.740 -0.001 0.000 0.236 87 N C 0.114 175.575 175.510 -0.082 0.000 1.154 87 N CA -0.665 52.324 53.050 -0.102 0.000 0.866 87 N CB 0.454 38.867 38.487 -0.123 0.000 1.093 87 N HN 0.118 nan 8.380 nan 0.000 0.515 88 R N 0.574 121.024 120.500 -0.084 0.000 2.817 88 R HA 0.262 4.602 4.340 -0.001 0.000 0.268 88 R C -0.862 175.401 176.300 -0.063 0.000 1.027 88 R CA -0.670 55.390 56.100 -0.067 0.000 0.928 88 R CB 1.452 31.704 30.300 -0.080 0.000 1.228 88 R HN 0.255 nan 8.270 nan 0.000 0.469 89 E N 1.540 121.707 120.200 -0.056 0.000 2.398 89 E HA 0.087 4.437 4.350 -0.001 0.000 0.263 89 E C -0.382 176.180 176.600 -0.063 0.000 1.046 89 E CA 0.079 56.447 56.400 -0.054 0.000 0.908 89 E CB 0.711 30.381 29.700 -0.051 0.000 0.963 89 E HN 0.254 nan 8.360 nan 0.000 0.431 90 M N 2.138 121.700 119.600 -0.062 0.000 2.342 90 M HA 0.254 4.734 4.480 -0.001 0.000 0.332 90 M C -0.156 176.092 176.300 -0.087 0.000 1.166 90 M CA -0.111 55.143 55.300 -0.076 0.000 1.086 90 M CB 1.702 34.258 32.600 -0.073 0.000 1.541 90 M HN 0.408 nan 8.290 nan 0.000 0.462 91 S N 0.038 115.672 115.700 -0.111 0.000 2.558 91 S HA 0.204 4.673 4.470 -0.001 0.000 0.277 91 S C -0.104 174.395 174.600 -0.167 0.000 1.143 91 S CA -0.679 57.450 58.200 -0.118 0.000 0.865 91 S CB 1.454 64.612 63.200 -0.070 0.000 1.102 91 S HN 0.837 nan 8.310 nan 0.000 0.454 92 E N 0.895 120.973 120.200 -0.203 0.000 2.347 92 E HA -0.064 4.286 4.350 -0.001 0.000 0.196 92 E C -0.293 176.230 176.600 -0.128 0.000 1.008 92 E CA 0.498 56.750 56.400 -0.245 0.000 0.852 92 E CB 0.136 29.691 29.700 -0.241 0.000 0.783 92 E HN 0.517 nan 8.360 nan 0.000 0.505 93 D N 0.239 120.603 120.400 -0.060 0.000 2.453 93 D HA 0.000 4.640 4.640 -0.001 0.000 0.223 93 D C -0.074 176.305 176.300 0.131 0.000 1.183 93 D CA -0.269 53.744 54.000 0.022 0.000 0.933 93 D CB 0.089 40.925 40.800 0.060 0.000 1.038 93 D HN 0.131 nan 8.370 nan 0.000 0.513 94 c N 2.618 121.271 118.600 0.089 0.000 3.722 94 c HA 0.361 4.931 4.570 -0.001 0.000 0.279 94 c C 0.560 174.718 174.090 0.113 0.000 1.819 94 c CA -0.681 55.764 56.329 0.193 0.000 1.744 94 c CB -1.254 41.288 42.510 0.053 0.000 3.247 94 c HN 0.444 nan 8.230 nan 0.000 0.549 95 L N 2.628 123.650 121.223 -0.335 0.000 2.387 95 L HA 0.410 4.750 4.340 -0.001 0.000 0.267 95 L C -0.797 175.260 176.870 -1.355 0.000 1.197 95 L CA 0.504 54.894 54.840 -0.750 0.000 1.070 95 L CB -0.628 40.880 42.059 -0.918 0.000 1.349 95 L HN 0.379 nan 8.230 nan 0.000 0.422 96 Y N 1.977 122.119 120.300 -0.263 0.000 2.633 96 Y HA 0.699 5.249 4.550 -0.000 0.000 0.339 96 Y C -0.042 176.003 175.900 0.242 0.000 1.045 96 Y CA -1.288 56.739 58.100 -0.121 0.000 1.098 96 Y CB 1.799 40.199 38.460 -0.099 0.000 1.296 96 Y HN 0.197 nan 8.280 nan 0.000 0.494 97 L N -0.250 121.134 121.223 0.270 0.000 2.350 97 L HA 0.757 5.097 4.340 -0.001 0.000 0.260 97 L C -1.375 175.543 176.870 0.080 0.000 1.015 97 L CA -1.090 53.855 54.840 0.175 0.000 0.821 97 L CB 1.940 44.015 42.059 0.026 0.000 1.370 97 L HN 0.446 nan 8.230 nan 0.000 0.416 98 N N 2.102 120.861 118.700 0.097 0.000 2.284 98 N HA 0.688 5.427 4.740 -0.001 0.000 0.300 98 N C -1.290 174.167 175.510 -0.089 0.000 1.047 98 N CA -0.242 52.780 53.050 -0.047 0.000 0.821 98 N CB 2.724 41.179 38.487 -0.053 0.000 1.337 98 N HN 0.657 nan 8.380 nan 0.000 0.482 99 I N 0.589 121.037 120.570 -0.204 0.000 2.447 99 I HA 0.376 4.546 4.170 -0.001 0.000 0.287 99 I C -0.579 175.512 176.117 -0.044 0.000 1.023 99 I CA -0.734 60.538 61.300 -0.047 0.000 1.083 99 I CB 1.985 39.890 38.000 -0.158 0.000 1.245 99 I HN 0.247 nan 8.210 nan 0.000 0.434 100 W N 5.877 127.307 121.300 0.216 0.000 2.391 100 W HA 0.552 5.212 4.660 -0.001 0.000 0.311 100 W C -0.884 175.777 176.519 0.237 0.000 1.087 100 W CA -0.618 56.850 57.345 0.205 0.000 1.209 100 W CB 2.134 31.688 29.460 0.157 0.000 1.273 100 W HN 0.119 nan 8.180 nan 0.000 0.482 101 V N 5.484 125.669 119.914 0.451 0.000 2.487 101 V HA 0.254 4.374 4.120 -0.001 0.000 0.298 101 V C -1.978 174.316 176.094 0.333 0.000 1.028 101 V CA -2.316 60.225 62.300 0.401 0.000 0.860 101 V CB 1.940 34.071 31.823 0.513 0.000 0.991 101 V HN 0.266 nan 8.190 nan 0.000 0.427 102 P HA 0.096 nan 4.420 nan 0.000 0.268 102 P C -0.546 176.890 177.300 0.227 0.000 1.208 102 P CA 0.244 63.495 63.100 0.250 0.000 0.777 102 P CB 0.526 32.344 31.700 0.196 0.000 0.875 103 S N 1.424 117.254 115.700 0.217 0.000 2.519 103 S HA 0.548 5.017 4.470 -0.001 0.000 0.309 103 S C -2.473 172.222 174.600 0.157 0.000 1.100 103 S CA -1.559 56.747 58.200 0.177 0.000 1.059 103 S CB 0.126 63.423 63.200 0.162 0.000 1.008 103 S HN 0.265 nan 8.310 nan 0.000 0.478 104 P HA 0.184 nan 4.420 nan 0.000 0.271 104 P C -0.465 176.912 177.300 0.127 0.000 1.218 104 P CA -0.565 62.603 63.100 0.114 0.000 0.780 104 P CB 0.403 32.156 31.700 0.088 0.000 0.901 105 R N 2.790 123.372 120.500 0.136 0.000 2.494 105 R HA 0.036 4.376 4.340 -0.001 0.000 0.291 105 R C -1.878 174.492 176.300 0.116 0.000 0.953 105 R CA -0.700 55.490 56.100 0.150 0.000 1.098 105 R CB -0.481 29.905 30.300 0.143 0.000 0.911 105 R HN 0.378 nan 8.270 nan 0.000 0.407 106 P HA 0.056 nan 4.420 nan 0.000 0.274 106 P C -0.158 177.182 177.300 0.068 0.000 1.260 106 P CA -0.367 62.787 63.100 0.089 0.000 0.793 106 P CB 0.696 32.454 31.700 0.096 0.000 1.048 107 K N -0.680 119.747 120.400 0.046 0.000 2.225 107 K HA 0.169 4.488 4.320 -0.001 0.000 0.204 107 K C 0.613 177.219 176.600 0.011 0.000 1.047 107 K CA 0.981 57.283 56.287 0.027 0.000 0.970 107 K CB -0.363 32.149 32.500 0.019 0.000 0.939 107 K HN 0.295 nan 8.250 nan 0.000 0.472 108 S N 1.162 116.869 115.700 0.011 0.000 2.564 108 S HA 0.174 4.643 4.470 -0.001 0.000 0.141 108 S C -0.898 173.706 174.600 0.006 0.000 1.474 108 S CA -0.336 57.862 58.200 -0.005 0.000 1.236 108 S CB 0.269 63.456 63.200 -0.022 0.000 1.481 108 S HN 0.161 nan 8.310 nan 0.000 0.397 109 T N 1.585 116.154 114.554 0.025 0.000 2.936 109 T HA 0.531 4.880 4.350 -0.001 0.000 0.282 109 T C 0.173 174.889 174.700 0.026 0.000 1.003 109 T CA -0.046 62.070 62.100 0.028 0.000 1.005 109 T CB 1.037 69.933 68.868 0.047 0.000 1.097 109 T HN 0.411 nan 8.240 nan 0.000 0.532 110 T N 2.337 116.902 114.554 0.018 0.000 2.905 110 T HA 0.249 4.599 4.350 -0.001 0.000 0.299 110 T C -0.229 174.494 174.700 0.038 0.000 1.024 110 T CA -0.099 62.007 62.100 0.011 0.000 1.151 110 T CB 0.045 68.907 68.868 -0.011 0.000 0.987 110 T HN 0.402 nan 8.240 nan 0.000 0.535 111 V N 5.558 125.499 119.914 0.045 0.000 2.483 111 V HA 0.486 4.606 4.120 -0.001 0.000 0.295 111 V C 0.080 176.229 176.094 0.092 0.000 1.035 111 V CA -0.709 61.641 62.300 0.083 0.000 0.896 111 V CB 1.612 33.488 31.823 0.089 0.000 0.986 111 V HN 0.836 nan 8.190 nan 0.000 0.447 112 M N 4.724 124.405 119.600 0.135 0.000 2.190 112 M HA 0.555 5.035 4.480 -0.001 0.000 0.312 112 M C -1.315 175.217 176.300 0.387 0.000 0.990 112 M CA -0.623 54.779 55.300 0.170 0.000 0.927 112 M CB 2.199 34.788 32.600 -0.018 0.000 1.571 112 M HN 0.351 nan 8.290 nan 0.000 0.427 113 V N 3.173 123.360 119.914 0.454 0.000 2.378 113 V HA 0.350 4.469 4.120 -0.001 0.000 0.288 113 V C -0.813 175.599 176.094 0.529 0.000 1.016 113 V CA -0.644 61.912 62.300 0.426 0.000 0.840 113 V CB 1.581 33.526 31.823 0.202 0.000 0.994 113 V HN 0.870 nan 8.190 nan 0.000 0.431 114 W N 7.013 128.442 121.300 0.214 0.000 2.351 114 W HA 0.636 5.295 4.660 -0.000 0.000 0.311 114 W C -1.354 175.072 176.519 -0.155 0.000 1.168 114 W CA -0.733 56.472 57.345 -0.233 0.000 1.200 114 W CB 1.175 30.547 29.460 -0.146 0.000 1.221 114 W HN 0.439 nan 8.180 nan 0.000 0.519 115 I N 9.071 129.027 120.570 -1.023 0.000 2.382 115 I HA 0.074 4.244 4.170 -0.001 0.000 0.285 115 I C -0.277 175.078 176.117 -1.270 0.000 1.007 115 I CA -1.158 59.631 61.300 -0.852 0.000 1.142 115 I CB 0.813 38.483 38.000 -0.550 0.000 1.289 115 I HN 0.306 nan 8.210 nan 0.000 0.453 116 Y N 4.664 124.508 120.300 -0.760 0.000 2.457 116 Y HA 0.661 5.211 4.550 -0.001 0.000 0.341 116 Y C 0.705 176.433 175.900 -0.286 0.000 1.240 116 Y CA -0.915 56.826 58.100 -0.599 0.000 1.437 116 Y CB -0.072 38.280 38.460 -0.180 0.000 1.328 116 Y HN 0.544 nan 8.280 nan 0.000 0.588 117 G N -0.526 108.293 108.800 0.031 0.000 2.531 117 G HA2 0.489 4.449 3.960 -0.001 0.000 0.281 117 G HA3 0.489 4.449 3.960 -0.001 0.000 0.281 117 G C 0.264 175.134 174.900 -0.050 0.000 1.382 117 G CA -0.909 44.158 45.100 -0.056 0.000 1.045 117 G HN 1.763 nan 8.290 nan 0.000 0.533 118 G N -2.744 105.885 108.800 -0.285 0.000 2.244 118 G HA2 0.395 4.355 3.960 -0.001 0.000 0.163 118 G HA3 0.395 4.355 3.960 -0.001 0.000 0.163 118 G C 1.071 175.501 174.900 -0.784 0.000 1.064 118 G CA 0.653 45.466 45.100 -0.478 0.000 0.757 118 G HN 2.300 nan 8.290 nan 0.000 0.484 119 G N -0.476 107.836 108.800 -0.813 0.000 2.244 119 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.274 119 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.274 119 G C 0.975 175.544 174.900 -0.552 0.000 1.002 119 G CA 0.986 45.348 45.100 -1.230 0.000 0.740 119 G HN 1.822 nan 8.290 nan 0.000 0.516 120 F N -3.590 116.253 119.950 -0.179 0.000 2.871 120 F HA -0.305 4.222 4.527 -0.001 0.000 0.326 120 F C 1.433 177.334 175.800 0.169 0.000 0.675 120 F CA 2.027 60.050 58.000 0.038 0.000 1.188 120 F CB -2.094 36.783 39.000 -0.205 0.000 1.567 120 F HN 0.891 nan 8.300 nan 0.000 0.325 121 Y N -0.854 119.531 120.300 0.142 0.000 2.500 121 Y HA 0.665 5.215 4.550 -0.001 0.000 0.246 121 Y C 0.590 176.615 175.900 0.208 0.000 1.146 121 Y CA 0.203 58.418 58.100 0.192 0.000 1.230 121 Y CB 0.033 38.536 38.460 0.071 0.000 1.214 121 Y HN 0.116 nan 8.280 nan 0.000 0.526 122 S N -0.826 114.629 115.700 -0.409 0.000 2.672 122 S HA 0.871 5.341 4.470 -0.001 0.000 0.271 122 S C -0.254 174.180 174.600 -0.277 0.000 1.171 122 S CA -0.482 57.545 58.200 -0.289 0.000 0.817 122 S CB 1.399 64.343 63.200 -0.427 0.000 1.150 122 S HN 1.357 nan 8.310 nan 0.000 0.478 123 G N -0.274 108.340 108.800 -0.310 0.000 2.465 123 G HA2 0.430 4.390 3.960 -0.001 0.000 0.681 123 G HA3 0.430 4.390 3.960 -0.001 0.000 0.681 123 G C -0.977 173.271 174.900 -1.086 0.000 1.340 123 G CA -0.292 44.458 45.100 -0.584 0.000 0.884 123 G HN 1.448 nan 8.290 nan 0.000 0.650 124 S N -1.038 113.994 115.700 -1.115 0.000 2.556 124 S HA 0.723 5.192 4.470 -0.001 0.000 0.271 124 S C 0.887 175.282 174.600 -0.343 0.000 1.135 124 S CA 0.085 57.827 58.200 -0.764 0.000 0.858 124 S CB 1.802 64.809 63.200 -0.322 0.000 1.114 124 S HN 1.993 nan 8.310 nan 0.000 0.468 125 S N -0.464 115.268 115.700 0.054 0.000 2.575 125 S HA -0.006 4.464 4.470 -0.001 0.000 0.215 125 S C 1.203 175.893 174.600 0.149 0.000 0.966 125 S CA 0.672 59.096 58.200 0.373 0.000 0.911 125 S CB -0.562 62.896 63.200 0.429 0.000 0.780 125 S HN 0.843 nan 8.310 nan 0.000 0.514 126 T N -0.173 114.279 114.554 -0.169 0.000 3.054 126 T HA 0.420 4.770 4.350 -0.001 0.000 0.255 126 T C 0.462 174.905 174.700 -0.429 0.000 1.035 126 T CA -0.567 61.144 62.100 -0.649 0.000 0.941 126 T CB -0.523 67.753 68.868 -0.986 0.000 1.026 126 T HN 0.313 nan 8.240 nan 0.000 0.533 127 L N 2.234 123.292 121.223 -0.274 0.000 2.506 127 L HA 0.132 4.471 4.340 -0.001 0.000 0.281 127 L C 1.324 177.959 176.870 -0.391 0.000 1.228 127 L CA -0.441 54.155 54.840 -0.407 0.000 0.850 127 L CB 0.341 41.979 42.059 -0.702 0.000 1.110 127 L HN 0.101 nan 8.230 nan 0.000 0.496 128 D N 1.380 121.571 120.400 -0.347 0.000 2.123 128 D HA -0.148 4.492 4.640 -0.001 0.000 0.196 128 D C 1.988 178.060 176.300 -0.380 0.000 0.992 128 D CA 1.468 55.312 54.000 -0.261 0.000 0.833 128 D CB -0.077 40.592 40.800 -0.218 0.000 0.954 128 D HN 0.550 nan 8.370 nan 0.000 0.455 129 V N -1.154 118.387 119.914 -0.621 0.000 3.078 129 V HA -0.167 3.952 4.120 -0.001 0.000 0.265 129 V C 1.234 176.823 176.094 -0.841 0.000 1.122 129 V CA 1.072 62.966 62.300 -0.676 0.000 1.141 129 V CB -1.154 30.179 31.823 -0.816 0.000 0.735 129 V HN 0.067 nan 8.190 nan 0.000 0.498 130 Y N -0.126 119.701 120.300 -0.789 0.000 2.555 130 Y HA 0.425 4.975 4.550 -0.001 0.000 0.259 130 Y C 1.124 176.517 175.900 -0.844 0.000 1.179 130 Y CA -1.775 55.542 58.100 -1.305 0.000 1.230 130 Y CB -0.909 37.117 38.460 -0.725 0.000 1.146 130 Y HN 0.251 nan 8.280 nan 0.000 0.526 131 N N 1.549 120.022 118.700 -0.378 0.000 2.417 131 N HA -0.042 4.698 4.740 -0.001 0.000 0.272 131 N C 1.315 176.452 175.510 -0.621 0.000 1.304 131 N CA 0.690 53.534 53.050 -0.343 0.000 0.906 131 N CB 1.118 39.500 38.487 -0.177 0.000 1.135 131 N HN 0.499 nan 8.380 nan 0.000 0.483 132 G N 3.346 111.180 108.800 -1.610 0.000 2.920 132 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.208 132 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.208 132 G C 1.456 175.704 174.900 -1.088 0.000 1.159 132 G CA 0.340 44.720 45.100 -1.200 0.000 0.784 132 G HN 0.749 nan 8.290 nan 0.000 0.535 133 K N -0.289 119.293 120.400 -1.363 0.000 2.097 133 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 133 K C 1.777 178.160 176.600 -0.362 0.000 1.049 133 K CA 1.156 57.025 56.287 -0.697 0.000 0.933 133 K CB -0.572 31.610 32.500 -0.531 0.000 0.717 133 K HN 0.394 nan 8.250 nan 0.000 0.442 134 Y N 0.866 121.100 120.300 -0.110 0.000 2.200 134 Y HA -0.150 4.400 4.550 -0.001 0.000 0.290 134 Y C 2.407 178.311 175.900 0.006 0.000 1.137 134 Y CA 0.486 58.583 58.100 -0.004 0.000 1.163 134 Y CB -0.257 38.171 38.460 -0.053 0.000 0.988 134 Y HN 0.038 nan 8.280 nan 0.000 0.518 135 L N 0.346 121.606 121.223 0.062 0.000 2.044 135 L HA -0.043 4.296 4.340 -0.001 0.000 0.205 135 L C 2.412 179.297 176.870 0.026 0.000 1.075 135 L CA 1.807 56.639 54.840 -0.014 0.000 0.747 135 L CB -1.222 40.749 42.059 -0.146 0.000 0.903 135 L HN 0.141 nan 8.230 nan 0.000 0.435 136 A N -1.202 121.649 122.820 0.052 0.000 1.883 136 A HA -0.326 3.994 4.320 -0.001 0.000 0.217 136 A C 2.357 180.036 177.584 0.159 0.000 1.186 136 A CA 2.149 54.269 52.037 0.138 0.000 0.624 136 A CB -1.285 17.858 19.000 0.239 0.000 0.822 136 A HN 0.648 nan 8.150 nan 0.000 0.444 137 Y N 0.829 121.157 120.300 0.047 0.000 2.109 137 Y HA -0.190 4.359 4.550 -0.001 0.000 0.285 137 Y C 2.739 178.668 175.900 0.048 0.000 1.131 137 Y CA 2.441 60.573 58.100 0.053 0.000 1.121 137 Y CB -0.534 37.947 38.460 0.036 0.000 0.987 137 Y HN 0.307 nan 8.280 nan 0.000 0.495 138 T N 0.453 114.905 114.554 -0.170 0.000 2.720 138 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 138 T C 1.299 175.901 174.700 -0.163 0.000 1.037 138 T CA 1.755 63.702 62.100 -0.254 0.000 1.144 138 T CB -0.155 68.678 68.868 -0.060 0.000 0.864 138 T HN 0.379 nan 8.240 nan 0.000 0.444 139 E N 0.429 120.595 120.200 -0.057 0.000 2.474 139 E HA 0.113 4.462 4.350 -0.001 0.000 0.195 139 E C 0.122 176.725 176.600 0.005 0.000 1.039 139 E CA 0.037 56.438 56.400 0.001 0.000 0.881 139 E CB 0.184 29.902 29.700 0.031 0.000 0.970 139 E HN 0.588 nan 8.360 nan 0.000 0.486 140 E N 0.073 120.270 120.200 -0.004 0.000 2.340 140 E HA -0.157 4.193 4.350 -0.001 0.000 0.240 140 E C -0.301 176.336 176.600 0.061 0.000 1.154 140 E CA 0.452 56.872 56.400 0.033 0.000 0.717 140 E CB -1.760 27.950 29.700 0.017 0.000 1.250 140 E HN 0.136 nan 8.360 nan 0.000 0.386 141 V N -3.537 116.424 119.914 0.077 0.000 2.815 141 V HA 0.669 4.789 4.120 -0.001 0.000 0.314 141 V C 0.438 176.618 176.094 0.143 0.000 1.064 141 V CA -1.062 61.289 62.300 0.086 0.000 0.952 141 V CB 2.233 34.087 31.823 0.052 0.000 1.020 141 V HN -0.044 nan 8.190 nan 0.000 0.439 142 V N 4.504 124.511 119.914 0.154 0.000 2.389 142 V HA 0.317 4.437 4.120 -0.001 0.000 0.264 142 V C 0.055 176.289 176.094 0.235 0.000 1.049 142 V CA -0.018 62.407 62.300 0.208 0.000 0.932 142 V CB 0.826 32.759 31.823 0.182 0.000 1.011 142 V HN 0.791 nan 8.190 nan 0.000 0.475 143 L N 7.301 128.719 121.223 0.326 0.000 2.265 143 L HA 0.551 4.890 4.340 -0.001 0.000 0.288 143 L C -0.369 176.807 176.870 0.509 0.000 1.058 143 L CA 0.176 55.256 54.840 0.400 0.000 0.809 143 L CB 1.255 43.547 42.059 0.389 0.000 1.179 143 L HN 0.416 nan 8.230 nan 0.000 0.429 144 V N 3.701 123.879 119.914 0.439 0.000 2.513 144 V HA 0.599 4.719 4.120 -0.001 0.000 0.299 144 V C -0.198 176.181 176.094 0.475 0.000 1.035 144 V CA -0.475 62.058 62.300 0.389 0.000 0.889 144 V CB 1.845 33.812 31.823 0.240 0.000 0.988 144 V HN 0.858 nan 8.190 nan 0.000 0.440 145 S N 5.026 121.013 115.700 0.477 0.000 2.552 145 S HA 0.814 5.284 4.470 -0.001 0.000 0.314 145 S C -0.785 174.003 174.600 0.314 0.000 1.099 145 S CA -0.800 57.695 58.200 0.490 0.000 1.070 145 S CB 1.457 65.060 63.200 0.671 0.000 0.998 145 S HN 0.617 nan 8.310 nan 0.000 0.474 146 L N 1.062 122.398 121.223 0.188 0.000 2.544 146 L HA 0.983 5.322 4.340 -0.001 0.000 0.256 146 L C 0.232 177.221 176.870 0.198 0.000 1.097 146 L CA -0.691 54.219 54.840 0.117 0.000 0.812 146 L CB 0.068 42.066 42.059 -0.101 0.000 1.440 146 L HN 0.857 nan 8.230 nan 0.000 0.496 147 S N -1.711 114.162 115.700 0.288 0.000 2.661 147 S HA 0.906 5.376 4.470 -0.001 0.000 0.285 147 S C -1.273 173.530 174.600 0.337 0.000 1.138 147 S CA -0.554 57.828 58.200 0.304 0.000 0.855 147 S CB 1.589 65.035 63.200 0.410 0.000 1.136 147 S HN 1.132 nan 8.310 nan 0.000 0.484 148 Y N -1.948 118.445 120.300 0.155 0.000 2.604 148 Y HA 0.654 5.204 4.550 -0.001 0.000 0.331 148 Y C -0.803 175.221 175.900 0.207 0.000 1.158 148 Y CA -1.371 56.821 58.100 0.153 0.000 1.056 148 Y CB 0.684 39.185 38.460 0.067 0.000 1.330 148 Y HN 0.764 nan 8.280 nan 0.000 0.457 149 R N 1.991 122.618 120.500 0.211 0.000 2.522 149 R HA 0.486 4.825 4.340 -0.001 0.000 0.284 149 R C -0.048 176.413 176.300 0.267 0.000 1.032 149 R CA 0.017 56.206 56.100 0.147 0.000 1.049 149 R CB 0.741 31.096 30.300 0.091 0.000 0.956 149 R HN 0.694 nan 8.270 nan 0.000 0.422 150 V N 0.229 120.335 119.914 0.320 0.000 3.204 150 V HA 0.885 5.005 4.120 -0.001 0.000 0.316 150 V C 0.795 177.232 176.094 0.572 0.000 1.160 150 V CA -0.126 62.494 62.300 0.534 0.000 1.044 150 V CB 1.069 33.107 31.823 0.358 0.000 1.136 150 V HN 0.967 nan 8.190 nan 0.000 0.455 151 G N 0.187 109.358 108.800 0.619 0.000 2.575 151 G HA2 0.010 3.969 3.960 -0.001 0.000 0.267 151 G HA3 0.010 3.969 3.960 -0.001 0.000 0.267 151 G C 1.004 176.080 174.900 0.293 0.000 1.264 151 G CA 1.061 46.462 45.100 0.500 0.000 0.935 151 G HN 2.181 nan 8.290 nan 0.000 0.568 152 A N -1.327 121.353 122.820 -0.233 0.000 1.902 152 A HA 0.215 4.535 4.320 -0.001 0.000 0.217 152 A C 2.261 179.688 177.584 -0.262 0.000 1.181 152 A CA 2.594 54.161 52.037 -0.782 0.000 0.623 152 A CB -0.555 17.784 19.000 -1.102 0.000 0.818 152 A HN 1.018 nan 8.150 nan 0.000 0.443 153 F N 0.248 120.253 119.950 0.090 0.000 2.147 153 F HA -0.146 4.381 4.527 -0.001 0.000 0.301 153 F C 2.479 178.288 175.800 0.015 0.000 1.084 153 F CA 1.355 59.385 58.000 0.050 0.000 1.268 153 F CB -0.869 38.118 39.000 -0.021 0.000 1.009 153 F HN 0.291 nan 8.300 nan 0.000 0.486 154 G N -2.653 106.218 108.800 0.119 0.000 2.921 154 G HA2 0.067 4.027 3.960 -0.001 0.000 0.213 154 G HA3 0.067 4.027 3.960 -0.001 0.000 0.213 154 G C 0.722 175.086 174.900 -0.892 0.000 1.143 154 G CA 0.099 44.986 45.100 -0.356 0.000 0.764 154 G HN 0.345 nan 8.290 nan 0.000 0.542 155 F N -0.600 119.431 119.950 0.136 0.000 2.880 155 F HA 0.416 4.942 4.527 -0.001 0.000 0.328 155 F C 0.246 176.096 175.800 0.082 0.000 1.146 155 F CA -1.098 56.964 58.000 0.103 0.000 1.135 155 F CB 0.386 39.468 39.000 0.138 0.000 1.151 155 F HN -0.103 nan 8.300 nan 0.000 0.523 156 L N 2.357 123.570 121.223 -0.016 0.000 2.559 156 L HA 0.438 4.777 4.340 -0.001 0.000 0.274 156 L C 0.184 177.021 176.870 -0.054 0.000 1.205 156 L CA 0.188 54.912 54.840 -0.194 0.000 0.907 156 L CB 0.156 41.811 42.059 -0.675 0.000 1.153 156 L HN 0.177 nan 8.230 nan 0.000 0.490 157 A N 7.030 129.877 122.820 0.045 0.000 2.340 157 A HA 0.638 4.958 4.320 -0.001 0.000 0.297 157 A C -0.858 176.746 177.584 0.034 0.000 1.195 157 A CA -0.481 51.586 52.037 0.051 0.000 0.769 157 A CB 0.530 19.591 19.000 0.101 0.000 1.163 157 A HN 0.693 nan 8.150 nan 0.000 0.472 158 L N 3.629 124.860 121.223 0.014 0.000 2.445 158 L HA 0.247 4.586 4.340 -0.001 0.000 0.252 158 L C -0.008 176.899 176.870 0.061 0.000 1.105 158 L CA -0.778 54.073 54.840 0.018 0.000 0.943 158 L CB 0.445 42.481 42.059 -0.037 0.000 1.277 158 L HN 0.884 nan 8.230 nan 0.000 0.465 159 H N 1.821 120.893 119.070 0.002 0.000 3.064 159 H HA 0.249 4.805 4.556 -0.001 0.000 0.329 159 H C 1.173 176.508 175.328 0.011 0.000 1.020 159 H CA 1.547 57.604 56.048 0.014 0.000 1.402 159 H CB 0.884 30.658 29.762 0.020 0.000 1.379 159 H HN 0.698 nan 8.280 nan 0.000 0.594 160 G N 2.643 111.118 108.800 -0.542 0.000 2.254 160 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.225 160 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.225 160 G C 0.463 175.263 174.900 -0.167 0.000 1.003 160 G CA 0.280 45.159 45.100 -0.369 0.000 0.622 160 G HN 0.909 nan 8.290 nan 0.000 0.507 161 S N -0.219 115.420 115.700 -0.101 0.000 2.610 161 S HA 0.628 5.098 4.470 -0.001 0.000 0.273 161 S C 1.003 175.586 174.600 -0.028 0.000 1.274 161 S CA 0.160 58.332 58.200 -0.046 0.000 1.023 161 S CB 1.546 64.731 63.200 -0.025 0.000 0.962 161 S HN 0.181 nan 8.310 nan 0.000 0.523 162 Q N 1.136 120.932 119.800 -0.007 0.000 2.281 162 Q HA 0.221 4.561 4.340 -0.001 0.000 0.215 162 Q C 1.087 177.106 176.000 0.032 0.000 0.867 162 Q CA 0.228 56.038 55.803 0.011 0.000 0.940 162 Q CB 0.246 28.991 28.738 0.010 0.000 1.111 162 Q HN 0.697 nan 8.270 nan 0.000 0.513 163 E N 0.537 120.758 120.200 0.035 0.000 2.170 163 E HA 0.077 4.426 4.350 -0.001 0.000 0.191 163 E C 0.148 176.801 176.600 0.088 0.000 0.981 163 E CA 0.546 56.985 56.400 0.065 0.000 0.830 163 E CB 0.518 30.259 29.700 0.069 0.000 0.775 163 E HN 0.116 nan 8.360 nan 0.000 0.470 164 A N 1.546 124.389 122.820 0.038 0.000 3.300 164 A HA 0.284 4.604 4.320 -0.001 0.000 0.300 164 A C -2.105 175.482 177.584 0.004 0.000 1.099 164 A CA -0.866 51.174 52.037 0.006 0.000 0.846 164 A CB 0.700 19.603 19.000 -0.161 0.000 1.255 164 A HN -0.120 nan 8.150 nan 0.000 0.519 165 P HA 0.147 nan 4.420 nan 0.000 0.225 165 P C 0.892 178.252 177.300 0.100 0.000 1.156 165 P CA 1.769 64.910 63.100 0.068 0.000 0.787 165 P CB 0.225 31.967 31.700 0.070 0.000 0.802 166 G N 0.551 109.390 108.800 0.064 0.000 2.662 166 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.686 166 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.686 166 G C -0.130 174.798 174.900 0.048 0.000 1.271 166 G CA -0.289 44.856 45.100 0.075 0.000 0.816 166 G HN 0.115 nan 8.290 nan 0.000 0.608 167 N N -2.385 116.350 118.700 0.058 0.000 2.778 167 N HA -0.285 4.454 4.740 -0.001 0.000 0.249 167 N C 1.971 177.380 175.510 -0.169 0.000 1.069 167 N CA 2.517 55.548 53.050 -0.033 0.000 0.831 167 N CB -1.662 36.734 38.487 -0.152 0.000 1.142 167 N HN 1.938 nan 8.380 nan 0.000 0.573 168 V N -2.541 117.254 119.914 -0.198 0.000 2.490 168 V HA -0.058 4.062 4.120 -0.001 0.000 0.250 168 V C 2.329 178.311 176.094 -0.187 0.000 1.061 168 V CA 2.398 64.616 62.300 -0.137 0.000 1.064 168 V CB -1.006 30.778 31.823 -0.066 0.000 0.670 168 V HN 0.290 nan 8.190 nan 0.000 0.461 169 G N 0.370 108.855 108.800 -0.525 0.000 2.422 169 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.218 169 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.218 169 G C 1.561 176.461 174.900 0.001 0.000 1.146 169 G CA 1.203 46.119 45.100 -0.305 0.000 0.769 169 G HN 0.543 nan 8.290 nan 0.000 0.547 170 L N -0.212 120.982 121.223 -0.047 0.000 2.093 170 L HA 0.072 4.411 4.340 -0.001 0.000 0.208 170 L C 2.860 179.815 176.870 0.143 0.000 1.085 170 L CA 0.383 55.184 54.840 -0.065 0.000 0.755 170 L CB -0.284 41.437 42.059 -0.563 0.000 0.904 170 L HN 0.184 nan 8.230 nan 0.000 0.435 171 L N -0.585 120.711 121.223 0.121 0.000 2.093 171 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 171 L C 2.201 179.174 176.870 0.172 0.000 1.085 171 L CA 0.938 55.899 54.840 0.201 0.000 0.755 171 L CB -0.623 41.526 42.059 0.150 0.000 0.904 171 L HN 0.269 nan 8.230 nan 0.000 0.435 172 D N 0.033 120.530 120.400 0.162 0.000 2.116 172 D HA -0.228 4.412 4.640 -0.001 0.000 0.193 172 D C 2.294 178.694 176.300 0.167 0.000 0.998 172 D CA 1.308 55.467 54.000 0.265 0.000 0.836 172 D CB -0.222 40.763 40.800 0.308 0.000 0.951 172 D HN 0.393 nan 8.370 nan 0.000 0.449 173 Q N -0.035 119.823 119.800 0.096 0.000 2.084 173 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 173 Q C 2.299 178.232 176.000 -0.113 0.000 0.978 173 Q CA 1.028 56.804 55.803 -0.046 0.000 0.844 173 Q CB -0.095 28.635 28.738 -0.013 0.000 0.898 173 Q HN 0.221 nan 8.270 nan 0.000 0.426 174 R N 0.682 121.205 120.500 0.039 0.000 2.081 174 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 174 R C 2.219 178.499 176.300 -0.033 0.000 1.131 174 R CA 1.524 57.616 56.100 -0.013 0.000 0.960 174 R CB -0.166 30.222 30.300 0.147 0.000 0.856 174 R HN 0.269 nan 8.270 nan 0.000 0.436 175 M N 0.137 119.748 119.600 0.019 0.000 2.117 175 M HA -0.117 4.363 4.480 -0.001 0.000 0.262 175 M C 2.126 178.379 176.300 -0.078 0.000 1.065 175 M CA 2.077 57.418 55.300 0.067 0.000 1.114 175 M CB -0.068 32.672 32.600 0.234 0.000 1.361 175 M HN 0.290 nan 8.290 nan 0.000 0.408 176 A N 0.204 122.702 122.820 -0.537 0.000 1.933 176 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 176 A C 2.027 179.480 177.584 -0.217 0.000 1.175 176 A CA 1.523 53.044 52.037 -0.859 0.000 0.628 176 A CB -1.049 17.145 19.000 -1.344 0.000 0.814 176 A HN 0.594 nan 8.150 nan 0.000 0.444 177 L N -1.079 120.044 121.223 -0.166 0.000 2.141 177 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 177 L C 2.787 179.691 176.870 0.057 0.000 1.094 177 L CA 1.468 56.280 54.840 -0.046 0.000 0.763 177 L CB -0.366 41.626 42.059 -0.112 0.000 0.908 177 L HN 0.476 nan 8.230 nan 0.000 0.437 178 Q N -0.333 119.500 119.800 0.054 0.000 2.079 178 Q HA -0.239 4.100 4.340 -0.001 0.000 0.200 178 Q C 1.980 178.081 176.000 0.170 0.000 0.974 178 Q CA 1.776 57.631 55.803 0.088 0.000 0.840 178 Q CB -0.441 28.341 28.738 0.074 0.000 0.898 178 Q HN 0.456 nan 8.270 nan 0.000 0.430 179 W N -0.540 120.776 121.300 0.028 0.000 2.355 179 W HA -0.182 4.478 4.660 -0.001 0.000 0.309 179 W C 1.948 178.508 176.519 0.067 0.000 1.206 179 W CA 1.911 59.295 57.345 0.066 0.000 1.284 179 W CB -0.356 29.141 29.460 0.061 0.000 1.145 179 W HN 0.011 nan 8.180 nan 0.000 0.502 180 V N 0.113 120.231 119.914 0.341 0.000 2.287 180 V HA -0.415 3.705 4.120 -0.001 0.000 0.248 180 V C 2.570 178.700 176.094 0.059 0.000 1.053 180 V CA 2.420 64.849 62.300 0.214 0.000 1.027 180 V CB -1.377 30.555 31.823 0.181 0.000 0.646 180 V HN 0.378 nan 8.190 nan 0.000 0.447 181 H N 0.015 119.081 119.070 -0.007 0.000 2.387 181 H HA -0.178 4.378 4.556 -0.001 0.000 0.299 181 H C 1.859 177.117 175.328 -0.116 0.000 1.099 181 H CA 2.011 58.031 56.048 -0.047 0.000 1.315 181 H CB 0.022 29.771 29.762 -0.022 0.000 1.380 181 H HN 0.443 nan 8.280 nan 0.000 0.513 182 D N -0.316 120.028 120.400 -0.095 0.000 2.289 182 D HA -0.025 4.614 4.640 -0.001 0.000 0.207 182 D C 1.103 177.210 176.300 -0.321 0.000 0.966 182 D CA 0.476 54.357 54.000 -0.199 0.000 0.868 182 D CB 0.100 40.825 40.800 -0.125 0.000 0.943 182 D HN 0.479 nan 8.370 nan 0.000 0.514 183 N N -0.184 118.252 118.700 -0.440 0.000 2.145 183 N HA 0.030 4.769 4.740 -0.001 0.000 0.219 183 N C 1.341 176.735 175.510 -0.193 0.000 1.266 183 N CA -0.146 52.670 53.050 -0.391 0.000 0.902 183 N CB 1.173 39.154 38.487 -0.844 0.000 1.078 183 N HN 0.004 nan 8.380 nan 0.000 0.513 184 I N 3.117 123.597 120.570 -0.150 0.000 2.567 184 I HA -0.239 3.931 4.170 -0.001 0.000 0.257 184 I C 2.600 178.702 176.117 -0.025 0.000 1.184 184 I CA 1.298 62.621 61.300 0.039 0.000 1.451 184 I CB -0.181 37.833 38.000 0.023 0.000 1.089 184 I HN 0.195 nan 8.210 nan 0.000 0.441 185 Q N -0.521 119.072 119.800 -0.344 0.000 2.135 185 Q HA -0.249 4.091 4.340 -0.001 0.000 0.204 185 Q C 1.907 177.671 176.000 -0.393 0.000 0.981 185 Q CA 1.797 57.341 55.803 -0.432 0.000 0.856 185 Q CB -0.968 27.378 28.738 -0.654 0.000 0.902 185 Q HN 0.413 nan 8.270 nan 0.000 0.425 186 F N -0.135 119.777 119.950 -0.062 0.000 2.546 186 F HA 0.066 4.593 4.527 -0.001 0.000 0.298 186 F C 0.941 176.526 175.800 -0.358 0.000 1.120 186 F CA 0.329 58.193 58.000 -0.228 0.000 1.456 186 F CB -0.200 38.590 39.000 -0.349 0.000 1.088 186 F HN 0.003 nan 8.300 nan 0.000 0.572 187 F N -0.602 119.347 119.950 -0.001 0.000 2.664 187 F HA 0.442 4.968 4.527 -0.001 0.000 0.303 187 F C 1.754 177.570 175.800 0.026 0.000 1.092 187 F CA 0.209 58.200 58.000 -0.015 0.000 1.305 187 F CB 0.053 39.029 39.000 -0.040 0.000 1.054 187 F HN 0.040 nan 8.300 nan 0.000 0.565 188 G N 0.160 109.036 108.800 0.127 0.000 2.175 188 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.244 188 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.244 188 G C 0.660 175.605 174.900 0.074 0.000 0.982 188 G CA -0.257 44.896 45.100 0.090 0.000 0.641 188 G HN 0.721 nan 8.290 nan 0.000 0.527 189 G N -0.293 108.556 108.800 0.081 0.000 2.444 189 G HA2 0.468 4.427 3.960 -0.001 0.000 0.268 189 G HA3 0.468 4.427 3.960 -0.001 0.000 0.268 189 G C -0.580 174.309 174.900 -0.019 0.000 1.203 189 G CA 0.349 45.479 45.100 0.050 0.000 0.835 189 G HN 0.253 nan 8.290 nan 0.000 0.543 190 D N 2.080 122.471 120.400 -0.015 0.000 2.411 190 D HA 0.235 4.874 4.640 -0.001 0.000 0.225 190 D C -0.884 175.386 176.300 -0.050 0.000 1.156 190 D CA -2.400 51.574 54.000 -0.044 0.000 0.874 190 D CB 1.643 42.427 40.800 -0.027 0.000 1.034 190 D HN 0.083 nan 8.370 nan 0.000 0.502 191 P HA -0.163 nan 4.420 nan 0.000 0.223 191 P C 0.537 177.810 177.300 -0.045 0.000 1.144 191 P CA 0.910 63.945 63.100 -0.109 0.000 0.783 191 P CB 0.013 31.547 31.700 -0.277 0.000 0.771 192 K N -1.136 119.236 120.400 -0.047 0.000 2.417 192 K HA 0.163 4.482 4.320 -0.001 0.000 0.196 192 K C 0.022 176.617 176.600 -0.009 0.000 1.023 192 K CA 0.256 56.533 56.287 -0.017 0.000 1.122 192 K CB -0.325 32.156 32.500 -0.030 0.000 0.850 192 K HN -0.145 nan 8.250 nan 0.000 0.521 193 T N 1.674 116.226 114.554 -0.004 0.000 3.624 193 T HA 0.127 4.477 4.350 -0.001 0.000 0.244 193 T C -0.843 173.870 174.700 0.021 0.000 1.063 193 T CA -0.582 61.514 62.100 -0.007 0.000 1.252 193 T CB 0.789 69.641 68.868 -0.027 0.000 1.021 193 T HN 0.207 nan 8.240 nan 0.000 0.590 194 V N 0.522 120.476 119.914 0.066 0.000 2.427 194 V HA 0.751 4.871 4.120 -0.001 0.000 0.286 194 V C -0.418 175.768 176.094 0.153 0.000 1.034 194 V CA -0.078 62.287 62.300 0.108 0.000 0.893 194 V CB 1.605 33.512 31.823 0.140 0.000 0.982 194 V HN 0.348 nan 8.190 nan 0.000 0.452 195 T N 8.435 123.064 114.554 0.126 0.000 2.771 195 T HA 0.561 4.911 4.350 -0.001 0.000 0.281 195 T C -0.020 174.792 174.700 0.187 0.000 0.982 195 T CA -0.151 62.037 62.100 0.147 0.000 0.978 195 T CB 0.762 69.670 68.868 0.065 0.000 0.930 195 T HN 0.881 nan 8.240 nan 0.000 0.447 196 I N 1.825 122.470 120.570 0.126 0.000 2.385 196 I HA 0.828 4.997 4.170 -0.001 0.000 0.294 196 I C -0.799 175.473 176.117 0.258 0.000 0.988 196 I CA -0.935 60.419 61.300 0.090 0.000 1.265 196 I CB 0.709 38.535 38.000 -0.289 0.000 1.388 196 I HN 0.470 nan 8.210 nan 0.000 0.480 197 F N 3.343 123.322 119.950 0.049 0.000 2.601 197 F HA 1.003 5.529 4.527 -0.001 0.000 0.309 197 F C -0.416 175.386 175.800 0.003 0.000 1.089 197 F CA -1.358 56.710 58.000 0.113 0.000 0.940 197 F CB 1.340 40.515 39.000 0.292 0.000 1.273 197 F HN 0.803 nan 8.300 nan 0.000 0.450 198 G N 1.185 109.875 108.800 -0.183 0.000 2.660 198 G HA2 0.508 4.467 3.960 -0.001 0.000 0.290 198 G HA3 0.508 4.467 3.960 -0.001 0.000 0.290 198 G C -2.476 172.233 174.900 -0.317 0.000 1.432 198 G CA -0.802 43.843 45.100 -0.758 0.000 0.807 198 G HN 0.861 nan 8.290 nan 0.000 0.485 199 E N 0.259 120.224 120.200 -0.391 0.000 2.238 199 E HA 0.631 4.981 4.350 -0.001 0.000 0.267 199 E C 0.571 177.137 176.600 -0.055 0.000 0.887 199 E CA 0.257 56.659 56.400 0.003 0.000 0.769 199 E CB 2.103 31.972 29.700 0.281 0.000 1.187 199 E HN 0.823 nan 8.360 nan 0.000 0.416 200 S N 2.611 118.346 115.700 0.058 0.000 4.064 200 S HA -0.375 4.094 4.470 -0.001 0.000 0.625 200 S C 1.416 176.118 174.600 0.170 0.000 2.010 200 S CA 1.842 60.142 58.200 0.166 0.000 4.186 200 S CB -1.634 61.569 63.200 0.005 0.000 0.211 200 S HN 1.002 nan 8.310 nan 0.000 0.605 201 A N 0.966 123.770 122.820 -0.027 0.000 2.076 201 A HA 0.129 4.449 4.320 -0.001 0.000 0.220 201 A C 2.394 179.770 177.584 -0.345 0.000 1.160 201 A CA 2.468 54.294 52.037 -0.351 0.000 0.653 201 A CB -1.507 16.778 19.000 -1.192 0.000 0.801 201 A HN 1.576 nan 8.150 nan 0.000 0.455 202 G N -0.657 107.980 108.800 -0.272 0.000 2.403 202 G HA2 0.086 4.045 3.960 -0.001 0.000 0.216 202 G HA3 0.086 4.045 3.960 -0.001 0.000 0.216 202 G C 1.470 176.213 174.900 -0.261 0.000 1.154 202 G CA 1.113 46.002 45.100 -0.350 0.000 0.784 202 G HN 0.649 nan 8.290 nan 0.000 0.538 203 G N 1.037 109.745 108.800 -0.152 0.000 2.402 203 G HA2 0.102 4.061 3.960 -0.001 0.000 0.216 203 G HA3 0.102 4.061 3.960 -0.001 0.000 0.216 203 G C 2.038 176.865 174.900 -0.123 0.000 1.162 203 G CA 1.424 46.469 45.100 -0.092 0.000 0.777 203 G HN 0.587 nan 8.290 nan 0.000 0.539 204 A N 0.876 123.648 122.820 -0.080 0.000 1.902 204 A HA 0.003 4.323 4.320 -0.001 0.000 0.217 204 A C 2.702 180.237 177.584 -0.082 0.000 1.181 204 A CA 2.266 54.229 52.037 -0.123 0.000 0.623 204 A CB -0.661 18.290 19.000 -0.081 0.000 0.818 204 A HN 0.303 nan 8.150 nan 0.000 0.443 205 S N -0.442 115.234 115.700 -0.040 0.000 2.353 205 S HA -0.156 4.314 4.470 -0.001 0.000 0.222 205 S C 1.923 176.462 174.600 -0.101 0.000 1.035 205 S CA 1.439 59.593 58.200 -0.076 0.000 1.025 205 S CB -0.610 62.506 63.200 -0.139 0.000 0.902 205 S HN 0.341 nan 8.310 nan 0.000 0.440 206 V N 1.642 121.499 119.914 -0.096 0.000 2.278 206 V HA -0.245 3.874 4.120 -0.001 0.000 0.251 206 V C 2.580 178.631 176.094 -0.071 0.000 1.062 206 V CA 2.145 64.392 62.300 -0.089 0.000 1.038 206 V CB -1.452 30.298 31.823 -0.120 0.000 0.646 206 V HN 0.624 nan 8.190 nan 0.000 0.447 207 G N -1.380 107.327 108.800 -0.156 0.000 2.422 207 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.218 207 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.218 207 G C 1.564 176.453 174.900 -0.019 0.000 1.140 207 G CA 0.871 45.842 45.100 -0.215 0.000 0.775 207 G HN 0.469 nan 8.290 nan 0.000 0.545 208 M N -0.168 119.438 119.600 0.010 0.000 2.319 208 M HA 0.030 4.510 4.480 -0.001 0.000 0.265 208 M C 2.121 178.534 176.300 0.188 0.000 1.068 208 M CA 0.796 56.227 55.300 0.219 0.000 1.118 208 M CB -0.179 32.548 32.600 0.213 0.000 1.395 208 M HN 0.181 nan 8.290 nan 0.000 0.435 209 H N -0.391 118.799 119.070 0.200 0.000 2.512 209 H HA 0.114 4.669 4.556 -0.001 0.000 0.279 209 H C 2.046 177.585 175.328 0.352 0.000 0.999 209 H CA 1.049 57.219 56.048 0.204 0.000 1.283 209 H CB 0.059 29.842 29.762 0.035 0.000 1.421 209 H HN 0.408 nan 8.280 nan 0.000 0.554 210 I N 0.253 121.095 120.570 0.454 0.000 2.353 210 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 210 I C 2.141 178.504 176.117 0.410 0.000 1.119 210 I CA 0.678 62.288 61.300 0.517 0.000 1.417 210 I CB 0.036 38.297 38.000 0.435 0.000 1.078 210 I HN 0.102 nan 8.210 nan 0.000 0.421 211 L N -0.494 120.941 121.223 0.353 0.000 2.007 211 L HA -0.075 4.265 4.340 -0.001 0.000 0.205 211 L C 1.546 178.546 176.870 0.216 0.000 1.073 211 L CA 0.478 55.529 54.840 0.351 0.000 0.744 211 L CB -0.358 41.943 42.059 0.404 0.000 0.898 211 L HN 0.054 nan 8.230 nan 0.000 0.435 212 S N 0.217 115.967 115.700 0.083 0.000 2.555 212 S HA 0.029 4.499 4.470 -0.001 0.000 0.293 212 S C -1.466 173.024 174.600 -0.183 0.000 1.248 212 S CA -1.229 56.825 58.200 -0.243 0.000 1.096 212 S CB 0.688 63.335 63.200 -0.921 0.000 0.881 212 S HN -0.050 nan 8.310 nan 0.000 0.498 213 P HA -0.079 nan 4.420 nan 0.000 0.216 213 P C 1.381 178.592 177.300 -0.149 0.000 1.153 213 P CA 1.258 64.290 63.100 -0.113 0.000 0.858 213 P CB -0.122 31.519 31.700 -0.098 0.000 0.789 214 G N -1.721 106.938 108.800 -0.234 0.000 2.776 214 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.209 214 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.209 214 G C 1.295 176.095 174.900 -0.166 0.000 1.145 214 G CA 0.468 45.446 45.100 -0.205 0.000 0.791 214 G HN 0.231 nan 8.290 nan 0.000 0.530 215 S N -0.637 114.986 115.700 -0.130 0.000 2.539 215 S HA 0.110 4.579 4.470 -0.001 0.000 0.226 215 S C 2.206 176.871 174.600 0.108 0.000 1.054 215 S CA -0.445 57.780 58.200 0.041 0.000 0.910 215 S CB 0.252 63.605 63.200 0.255 0.000 0.818 215 S HN 0.363 nan 8.310 nan 0.000 0.490 216 R N 1.994 122.505 120.500 0.020 0.000 2.119 216 R HA -0.127 4.213 4.340 -0.001 0.000 0.246 216 R C 0.861 176.951 176.300 -0.349 0.000 1.146 216 R CA 1.750 57.763 56.100 -0.146 0.000 0.962 216 R CB -0.502 29.742 30.300 -0.092 0.000 0.863 216 R HN 0.299 nan 8.270 nan 0.000 0.442 217 D N 0.536 120.808 120.400 -0.213 0.000 2.347 217 D HA -0.038 4.602 4.640 -0.001 0.000 0.215 217 D C 1.450 177.616 176.300 -0.224 0.000 0.976 217 D CA 0.726 54.594 54.000 -0.220 0.000 0.884 217 D CB 0.025 40.724 40.800 -0.169 0.000 0.915 217 D HN 0.254 nan 8.370 nan 0.000 0.526 218 L N -0.156 120.971 121.223 -0.160 0.000 2.599 218 L HA 0.131 4.471 4.340 -0.001 0.000 0.230 218 L C 0.002 176.971 176.870 0.166 0.000 1.141 218 L CA -0.000 54.818 54.840 -0.036 0.000 0.877 218 L CB -0.502 41.573 42.059 0.026 0.000 1.009 218 L HN -0.042 nan 8.230 nan 0.000 0.447 219 F N -4.429 115.521 119.950 0.000 0.000 2.741 219 F HA 0.546 5.072 4.527 -0.001 0.000 0.313 219 F C 0.374 176.196 175.800 0.037 0.000 1.153 219 F CA -1.359 56.658 58.000 0.029 0.000 0.931 219 F CB 1.141 40.155 39.000 0.024 0.000 1.335 219 F HN -0.411 nan 8.300 nan 0.000 0.460 220 R N 0.584 121.173 120.500 0.148 0.000 2.103 220 R HA 0.485 4.825 4.340 -0.001 0.000 0.212 220 R C -0.065 176.307 176.300 0.121 0.000 1.107 220 R CA 0.957 57.078 56.100 0.035 0.000 1.025 220 R CB 0.317 30.632 30.300 0.025 0.000 0.929 220 R HN 0.778 nan 8.270 nan 0.000 0.456 221 R N -1.339 119.322 120.500 0.268 0.000 2.869 221 R HA 0.764 5.104 4.340 -0.001 0.000 0.263 221 R C -1.471 175.067 176.300 0.398 0.000 1.066 221 R CA -0.745 55.517 56.100 0.271 0.000 0.960 221 R CB 2.110 32.406 30.300 -0.006 0.000 1.221 221 R HN 0.177 nan 8.270 nan 0.000 0.474 222 A N 1.088 124.138 122.820 0.383 0.000 2.549 222 A HA 0.705 5.025 4.320 -0.001 0.000 0.297 222 A C -1.230 176.464 177.584 0.183 0.000 1.061 222 A CA -0.618 51.568 52.037 0.248 0.000 0.690 222 A CB 1.343 20.447 19.000 0.173 0.000 1.287 222 A HN 0.567 nan 8.150 nan 0.000 0.402 223 I N 1.652 122.292 120.570 0.117 0.000 2.466 223 I HA 0.412 4.581 4.170 -0.001 0.000 0.289 223 I C -1.487 174.678 176.117 0.080 0.000 1.026 223 I CA -0.630 60.670 61.300 -0.001 0.000 1.078 223 I CB 1.968 39.946 38.000 -0.036 0.000 1.249 223 I HN 0.456 nan 8.210 nan 0.000 0.429 224 L N 6.574 127.815 121.223 0.029 0.000 2.349 224 L HA 0.457 4.796 4.340 -0.001 0.000 0.278 224 L C -0.559 176.400 176.870 0.148 0.000 0.996 224 L CA -0.275 54.593 54.840 0.047 0.000 0.825 224 L CB 1.625 43.651 42.059 -0.056 0.000 1.243 224 L HN 0.480 nan 8.230 nan 0.000 0.412 225 Q N 1.873 121.815 119.800 0.237 0.000 2.368 225 Q HA 0.495 4.835 4.340 -0.001 0.000 0.263 225 Q C -0.125 176.025 176.000 0.250 0.000 1.009 225 Q CA -0.567 55.452 55.803 0.360 0.000 0.818 225 Q CB 1.536 30.585 28.738 0.518 0.000 1.239 225 Q HN 0.651 nan 8.270 nan 0.000 0.464 226 S N 1.100 116.942 115.700 0.236 0.000 3.631 226 S HA -0.145 4.325 4.470 -0.001 0.000 0.366 226 S C -0.009 174.776 174.600 0.309 0.000 0.993 226 S CA 0.535 58.903 58.200 0.280 0.000 1.167 226 S CB -1.190 62.215 63.200 0.341 0.000 0.909 226 S HN 0.997 nan 8.310 nan 0.000 0.478 227 G N -0.331 108.581 108.800 0.186 0.000 2.473 227 G HA2 0.601 4.561 3.960 -0.001 0.000 0.298 227 G HA3 0.601 4.561 3.960 -0.001 0.000 0.298 227 G C -0.970 173.903 174.900 -0.045 0.000 1.575 227 G CA 0.144 45.353 45.100 0.182 0.000 0.846 227 G HN 1.224 nan 8.290 nan 0.000 0.585 228 S N 1.192 116.787 115.700 -0.176 0.000 2.579 228 S HA 0.809 5.278 4.470 -0.001 0.000 0.272 228 S C -2.085 172.240 174.600 -0.458 0.000 1.141 228 S CA -0.953 57.004 58.200 -0.406 0.000 0.843 228 S CB 2.982 65.944 63.200 -0.398 0.000 1.122 228 S HN 0.441 nan 8.310 nan 0.000 0.468 229 P HA -0.132 nan 4.420 nan 0.000 0.218 229 P C 0.591 177.655 177.300 -0.393 0.000 1.148 229 P CA 1.373 64.234 63.100 -0.397 0.000 0.822 229 P CB -0.338 31.170 31.700 -0.319 0.000 0.784 230 N N -0.859 117.639 118.700 -0.336 0.000 2.370 230 N HA -0.016 4.724 4.740 -0.001 0.000 0.198 230 N C 0.059 175.335 175.510 -0.390 0.000 1.156 230 N CA -0.211 52.673 53.050 -0.278 0.000 0.839 230 N CB -1.397 37.042 38.487 -0.079 0.000 0.989 230 N HN 0.036 nan 8.380 nan 0.000 0.468 231 C N 2.932 121.882 119.300 -0.582 0.000 2.634 231 C HA 0.071 4.531 4.460 -0.001 0.000 0.417 231 C C -0.118 174.383 174.990 -0.815 0.000 1.334 231 C CA -0.891 57.632 59.018 -0.825 0.000 1.829 231 C CB 1.051 27.929 27.740 -1.436 0.000 2.665 231 C HN 0.368 nan 8.230 nan 0.000 0.614 232 P HA -0.117 nan 4.420 nan 0.000 0.221 232 P C 1.134 178.239 177.300 -0.325 0.000 1.145 232 P CA 1.842 64.663 63.100 -0.465 0.000 0.795 232 P CB -0.076 31.346 31.700 -0.463 0.000 0.775 233 W N -1.567 119.613 121.300 -0.201 0.000 3.211 233 W HA 0.585 5.244 4.660 -0.000 0.000 0.292 233 W C 1.110 177.712 176.519 0.138 0.000 1.268 233 W CA 0.331 57.655 57.345 -0.036 0.000 1.702 233 W CB -0.951 28.533 29.460 0.040 0.000 1.092 233 W HN -0.116 nan 8.180 nan 0.000 0.643 234 A N 1.388 123.927 122.820 -0.469 0.000 2.178 234 A HA 0.195 4.515 4.320 -0.001 0.000 0.211 234 A C 1.022 178.436 177.584 -0.284 0.000 1.157 234 A CA 1.078 52.950 52.037 -0.275 0.000 0.780 234 A CB -0.495 18.103 19.000 -0.670 0.000 0.828 234 A HN 0.200 nan 8.150 nan 0.000 0.476 235 S N -1.642 113.878 115.700 -0.299 0.000 2.596 235 S HA 0.699 5.168 4.470 -0.001 0.000 0.270 235 S C -0.738 173.726 174.600 -0.226 0.000 1.155 235 S CA -0.061 57.950 58.200 -0.316 0.000 0.827 235 S CB 1.427 64.368 63.200 -0.432 0.000 1.130 235 S HN 1.284 nan 8.310 nan 0.000 0.467 236 V N -1.259 118.539 119.914 -0.194 0.000 3.181 236 V HA 0.934 5.054 4.120 -0.001 0.000 0.308 236 V C 0.094 176.109 176.094 -0.132 0.000 1.214 236 V CA -0.522 61.691 62.300 -0.145 0.000 1.053 236 V CB 1.105 32.858 31.823 -0.116 0.000 1.069 236 V HN 1.442 nan 8.190 nan 0.000 0.441 237 S N 0.399 116.035 115.700 -0.107 0.000 2.645 237 S HA 0.406 4.876 4.470 -0.001 0.000 0.266 237 S C 1.287 175.838 174.600 -0.083 0.000 1.258 237 S CA 0.004 58.146 58.200 -0.096 0.000 0.990 237 S CB 1.232 64.387 63.200 -0.077 0.000 0.967 237 S HN 2.063 nan 8.310 nan 0.000 0.556 238 V N -1.387 118.468 119.914 -0.098 0.000 2.490 238 V HA -0.004 4.115 4.120 -0.001 0.000 0.250 238 V C 2.562 178.642 176.094 -0.023 0.000 1.061 238 V CA 1.618 63.869 62.300 -0.081 0.000 1.064 238 V CB -2.111 29.600 31.823 -0.187 0.000 0.670 238 V HN 0.985 nan 8.190 nan 0.000 0.461 239 A N 0.859 123.662 122.820 -0.029 0.000 1.858 239 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 239 A C 2.238 179.804 177.584 -0.029 0.000 1.190 239 A CA 2.061 54.088 52.037 -0.017 0.000 0.617 239 A CB -0.737 18.252 19.000 -0.018 0.000 0.827 239 A HN 0.613 nan 8.150 nan 0.000 0.443 240 E N 0.164 120.336 120.200 -0.048 0.000 2.110 240 E HA -0.056 4.294 4.350 -0.001 0.000 0.193 240 E C 1.949 178.509 176.600 -0.067 0.000 0.988 240 E CA 1.659 58.017 56.400 -0.070 0.000 0.804 240 E CB -0.878 28.770 29.700 -0.086 0.000 0.745 240 E HN 0.402 nan 8.360 nan 0.000 0.458 241 G N 0.717 109.491 108.800 -0.044 0.000 2.446 241 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.217 241 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.217 241 G C 1.766 176.677 174.900 0.018 0.000 1.168 241 G CA 0.992 46.088 45.100 -0.007 0.000 0.771 241 G HN 0.354 nan 8.290 nan 0.000 0.551 242 R N 0.187 120.695 120.500 0.014 0.000 2.083 242 R HA -0.039 4.301 4.340 -0.001 0.000 0.237 242 R C 2.595 178.895 176.300 0.002 0.000 1.137 242 R CA 1.501 57.611 56.100 0.016 0.000 0.951 242 R CB -0.389 29.924 30.300 0.022 0.000 0.851 242 R HN 0.268 nan 8.270 nan 0.000 0.434 243 R N 0.525 121.015 120.500 -0.018 0.000 2.117 243 R HA -0.154 4.185 4.340 -0.001 0.000 0.243 243 R C 2.095 178.371 176.300 -0.040 0.000 1.143 243 R CA 1.896 57.975 56.100 -0.034 0.000 0.968 243 R CB -0.086 30.180 30.300 -0.057 0.000 0.863 243 R HN 0.323 nan 8.270 nan 0.000 0.444 244 R N -0.664 119.807 120.500 -0.049 0.000 2.119 244 R HA 0.033 4.373 4.340 -0.001 0.000 0.222 244 R C 2.292 178.647 176.300 0.092 0.000 1.088 244 R CA 0.955 57.018 56.100 -0.062 0.000 0.984 244 R CB -0.146 30.016 30.300 -0.229 0.000 0.884 244 R HN 0.195 nan 8.270 nan 0.000 0.447 245 A N 0.795 123.692 122.820 0.129 0.000 1.898 245 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 245 A C 2.304 179.905 177.584 0.029 0.000 1.181 245 A CA 1.208 53.308 52.037 0.105 0.000 0.620 245 A CB -0.503 18.497 19.000 0.000 0.000 0.819 245 A HN 0.086 nan 8.150 nan 0.000 0.442 246 V N 0.124 120.045 119.914 0.012 0.000 2.295 246 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 246 V C 2.607 178.707 176.094 0.010 0.000 1.049 246 V CA 2.444 64.745 62.300 0.002 0.000 1.024 246 V CB -0.715 31.106 31.823 -0.003 0.000 0.648 246 V HN 0.721 nan 8.190 nan 0.000 0.447 247 E N 0.183 120.390 120.200 0.011 0.000 2.153 247 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 247 E C 1.894 178.516 176.600 0.036 0.000 0.988 247 E CA 1.159 57.566 56.400 0.010 0.000 0.811 247 E CB -0.379 29.311 29.700 -0.016 0.000 0.746 247 E HN 0.448 nan 8.360 nan 0.000 0.466 248 L N -0.217 121.050 121.223 0.073 0.000 2.017 248 L HA 0.032 4.372 4.340 -0.001 0.000 0.208 248 L C 2.209 179.104 176.870 0.042 0.000 1.073 248 L CA 2.389 57.286 54.840 0.095 0.000 0.745 248 L CB -1.087 41.062 42.059 0.149 0.000 0.894 248 L HN 0.238 nan 8.230 nan 0.000 0.432 249 G N -0.844 107.967 108.800 0.018 0.000 2.440 249 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.218 249 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.218 249 G C 1.797 176.710 174.900 0.022 0.000 1.154 249 G CA 0.808 45.914 45.100 0.011 0.000 0.767 249 G HN 0.438 nan 8.290 nan 0.000 0.552 250 R N 0.398 120.911 120.500 0.021 0.000 2.152 250 R HA -0.026 4.314 4.340 -0.001 0.000 0.232 250 R C 2.086 178.403 176.300 0.029 0.000 1.117 250 R CA 1.214 57.327 56.100 0.022 0.000 0.981 250 R CB -0.305 30.005 30.300 0.016 0.000 0.870 250 R HN 0.316 nan 8.270 nan 0.000 0.451 251 N N 0.209 118.931 118.700 0.035 0.000 2.409 251 N HA -0.058 4.681 4.740 -0.001 0.000 0.179 251 N C 0.955 176.492 175.510 0.046 0.000 1.032 251 N CA 0.730 53.806 53.050 0.044 0.000 0.898 251 N CB 0.231 38.752 38.487 0.056 0.000 0.971 251 N HN 0.257 nan 8.380 nan 0.000 0.441 252 L N 0.758 122.006 121.223 0.042 0.000 2.741 252 L HA 0.185 4.524 4.340 -0.001 0.000 0.237 252 L C -0.475 176.418 176.870 0.038 0.000 1.178 252 L CA -0.033 54.832 54.840 0.042 0.000 0.973 252 L CB -0.326 41.757 42.059 0.040 0.000 1.255 252 L HN 0.085 nan 8.230 nan 0.000 0.498 253 N N -2.154 116.568 118.700 0.035 0.000 2.735 253 N HA -0.184 4.556 4.740 -0.001 0.000 0.248 253 N C -0.003 175.528 175.510 0.034 0.000 1.083 253 N CA 0.288 53.358 53.050 0.033 0.000 0.703 253 N CB -2.075 36.432 38.487 0.033 0.000 1.005 253 N HN 0.263 nan 8.380 nan 0.000 0.550 254 c N 0.575 119.195 118.600 0.033 0.000 2.580 254 c HA 0.264 4.833 4.570 -0.001 0.000 0.371 254 c C 1.289 175.400 174.090 0.034 0.000 1.308 254 c CA -0.850 55.501 56.329 0.038 0.000 2.428 254 c CB 0.619 43.150 42.510 0.034 0.000 2.529 254 c HN 0.479 nan 8.230 nan 0.000 0.657 255 N N 1.270 119.994 118.700 0.041 0.000 2.470 255 N HA 0.191 4.931 4.740 -0.001 0.000 0.268 255 N C -0.217 175.309 175.510 0.027 0.000 1.136 255 N CA 0.113 53.182 53.050 0.033 0.000 0.961 255 N CB 0.469 38.979 38.487 0.038 0.000 1.067 255 N HN 0.596 nan 8.380 nan 0.000 0.468 256 L N 3.042 124.276 121.223 0.018 0.000 2.965 256 L HA 0.245 4.585 4.340 -0.001 0.000 0.254 256 L C 1.157 178.033 176.870 0.009 0.000 1.220 256 L CA -0.112 54.736 54.840 0.013 0.000 1.023 256 L CB -0.242 41.823 42.059 0.010 0.000 1.355 256 L HN 0.504 nan 8.230 nan 0.000 0.545 257 N N 0.260 118.966 118.700 0.010 0.000 2.396 257 N HA -0.065 4.675 4.740 -0.001 0.000 0.180 257 N C 0.425 175.938 175.510 0.005 0.000 1.028 257 N CA 0.712 53.766 53.050 0.007 0.000 0.893 257 N CB 0.332 38.822 38.487 0.005 0.000 0.967 257 N HN 0.369 nan 8.380 nan 0.000 0.440 258 S N -1.510 114.194 115.700 0.006 0.000 2.565 258 S HA 0.247 4.717 4.470 -0.001 0.000 0.269 258 S C -0.384 174.219 174.600 0.006 0.000 1.153 258 S CA -0.938 57.265 58.200 0.004 0.000 0.835 258 S CB 1.667 64.869 63.200 0.004 0.000 1.122 258 S HN -0.203 nan 8.310 nan 0.000 0.462 259 D N 1.428 121.829 120.400 0.001 0.000 2.104 259 D HA -0.017 4.622 4.640 -0.001 0.000 0.194 259 D C 2.344 178.651 176.300 0.012 0.000 0.994 259 D CA 2.261 56.259 54.000 -0.004 0.000 0.830 259 D CB -0.747 40.047 40.800 -0.010 0.000 0.959 259 D HN 0.877 nan 8.370 nan 0.000 0.452 260 E N 1.609 121.821 120.200 0.021 0.000 2.118 260 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 260 E C 1.900 178.541 176.600 0.069 0.000 0.992 260 E CA 1.350 57.775 56.400 0.042 0.000 0.804 260 E CB -0.684 29.032 29.700 0.026 0.000 0.741 260 E HN 0.393 nan 8.360 nan 0.000 0.458 261 E N -0.557 119.670 120.200 0.046 0.000 2.072 261 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 261 E C 2.295 178.947 176.600 0.087 0.000 0.982 261 E CA 1.138 57.574 56.400 0.061 0.000 0.803 261 E CB -0.197 29.521 29.700 0.030 0.000 0.755 261 E HN 0.440 nan 8.360 nan 0.000 0.453 262 L N 1.445 122.695 121.223 0.046 0.000 2.017 262 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 262 L C 2.180 179.066 176.870 0.025 0.000 1.073 262 L CA 1.490 56.344 54.840 0.023 0.000 0.745 262 L CB -0.557 41.493 42.059 -0.015 0.000 0.894 262 L HN 0.036 nan 8.230 nan 0.000 0.432 263 I N -0.837 119.748 120.570 0.025 0.000 2.226 263 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 263 I C 2.621 178.814 176.117 0.127 0.000 1.100 263 I CA 1.485 62.813 61.300 0.047 0.000 1.374 263 I CB -0.746 37.283 38.000 0.049 0.000 1.057 263 I HN 0.478 nan 8.210 nan 0.000 0.413 264 H N 0.635 119.744 119.070 0.065 0.000 2.352 264 H HA -0.263 4.293 4.556 -0.001 0.000 0.299 264 H C 2.443 177.813 175.328 0.069 0.000 1.097 264 H CA 2.285 58.372 56.048 0.066 0.000 1.311 264 H CB -0.153 29.634 29.762 0.041 0.000 1.377 264 H HN 0.503 nan 8.280 nan 0.000 0.504 265 c N 0.805 119.450 118.600 0.076 0.000 2.453 265 c HA -0.064 4.506 4.570 -0.001 0.000 0.277 265 c C 3.078 177.176 174.090 0.012 0.000 1.262 265 c CA 0.710 57.065 56.329 0.042 0.000 1.718 265 c CB -1.372 41.188 42.510 0.084 0.000 2.031 265 c HN 0.570 nan 8.230 nan 0.000 0.480 266 L N 0.369 121.628 121.223 0.061 0.000 2.131 266 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 266 L C 2.977 179.952 176.870 0.174 0.000 1.092 266 L CA 1.517 56.437 54.840 0.133 0.000 0.759 266 L CB -0.704 41.434 42.059 0.133 0.000 0.903 266 L HN 0.367 nan 8.230 nan 0.000 0.435 267 R N -0.416 120.160 120.500 0.128 0.000 2.235 267 R HA -0.124 4.216 4.340 -0.001 0.000 0.213 267 R C 1.809 178.053 176.300 -0.094 0.000 1.059 267 R CA 0.596 56.685 56.100 -0.018 0.000 0.997 267 R CB 0.011 30.287 30.300 -0.040 0.000 0.884 267 R HN 0.182 nan 8.270 nan 0.000 0.462 268 E N 0.520 120.646 120.200 -0.123 0.000 2.442 268 E HA 0.023 4.373 4.350 -0.001 0.000 0.195 268 E C -0.137 176.444 176.600 -0.032 0.000 1.030 268 E CA 0.587 56.922 56.400 -0.109 0.000 0.869 268 E CB 0.285 29.895 29.700 -0.149 0.000 0.857 268 E HN -0.083 nan 8.360 nan 0.000 0.505 269 K N 1.315 121.713 120.400 -0.003 0.000 2.202 269 K HA 0.166 4.486 4.320 -0.001 0.000 0.264 269 K C 0.216 176.842 176.600 0.044 0.000 1.010 269 K CA -0.201 56.104 56.287 0.029 0.000 0.940 269 K CB 0.636 33.163 32.500 0.045 0.000 0.983 269 K HN -0.040 nan 8.250 nan 0.000 0.475 270 K N 2.118 122.552 120.400 0.056 0.000 2.202 270 K HA 0.082 4.401 4.320 -0.001 0.000 0.264 270 K C -1.715 174.964 176.600 0.131 0.000 1.010 270 K CA -1.597 54.731 56.287 0.068 0.000 0.940 270 K CB 0.098 32.630 32.500 0.053 0.000 0.983 270 K HN 0.163 nan 8.250 nan 0.000 0.475 271 P HA -0.241 nan 4.420 nan 0.000 0.215 271 P C 1.267 178.749 177.300 0.304 0.000 1.163 271 P CA 1.407 64.688 63.100 0.302 0.000 0.894 271 P CB 0.236 31.965 31.700 0.049 0.000 0.791 272 Q N -0.076 119.828 119.800 0.173 0.000 2.364 272 Q HA -0.189 4.150 4.340 -0.001 0.000 0.209 272 Q C 1.817 177.912 176.000 0.159 0.000 0.977 272 Q CA 1.575 57.475 55.803 0.162 0.000 0.885 272 Q CB -0.788 28.013 28.738 0.105 0.000 0.941 272 Q HN 0.361 nan 8.270 nan 0.000 0.464 273 E N -1.097 119.185 120.200 0.137 0.000 2.107 273 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 273 E C 1.467 178.134 176.600 0.112 0.000 0.982 273 E CA 0.847 57.314 56.400 0.111 0.000 0.809 273 E CB 0.055 29.806 29.700 0.084 0.000 0.756 273 E HN 0.243 nan 8.360 nan 0.000 0.459 274 L N 0.579 121.867 121.223 0.108 0.000 2.072 274 L HA -0.113 4.227 4.340 -0.001 0.000 0.205 274 L C 2.165 179.100 176.870 0.109 0.000 1.079 274 L CA 1.353 56.217 54.840 0.040 0.000 0.752 274 L CB -0.435 41.544 42.059 -0.134 0.000 0.906 274 L HN 0.147 nan 8.230 nan 0.000 0.436 275 I N -0.481 120.216 120.570 0.211 0.000 2.226 275 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 275 I C 1.931 178.240 176.117 0.319 0.000 1.100 275 I CA 1.087 62.568 61.300 0.302 0.000 1.374 275 I CB -0.362 37.856 38.000 0.364 0.000 1.057 275 I HN 0.240 nan 8.210 nan 0.000 0.413 276 D N 0.248 120.799 120.400 0.253 0.000 2.221 276 D HA -0.126 4.514 4.640 -0.001 0.000 0.204 276 D C 1.834 178.275 176.300 0.235 0.000 0.982 276 D CA 1.483 55.629 54.000 0.243 0.000 0.857 276 D CB 0.065 40.966 40.800 0.169 0.000 0.934 276 D HN 0.386 nan 8.370 nan 0.000 0.475 277 V N -2.618 117.412 119.914 0.194 0.000 3.477 277 V HA 0.217 4.337 4.120 -0.001 0.000 0.297 277 V C 1.707 177.896 176.094 0.158 0.000 1.433 277 V CA -0.006 62.395 62.300 0.168 0.000 1.052 277 V CB 0.342 32.237 31.823 0.119 0.000 0.895 277 V HN -0.055 nan 8.190 nan 0.000 0.438 278 E N 0.877 121.167 120.200 0.151 0.000 2.114 278 E HA -0.275 4.075 4.350 -0.001 0.000 0.199 278 E C 1.576 178.092 176.600 -0.140 0.000 1.008 278 E CA 2.682 59.115 56.400 0.055 0.000 0.810 278 E CB -0.226 29.449 29.700 -0.042 0.000 0.739 278 E HN 0.801 nan 8.360 nan 0.000 0.456 279 W N 0.777 122.083 121.300 0.011 0.000 2.678 279 W HA 0.033 4.693 4.660 -0.000 0.000 0.256 279 W C 1.676 178.161 176.519 -0.057 0.000 1.280 279 W CA 0.146 57.447 57.345 -0.073 0.000 1.345 279 W CB -0.055 29.322 29.460 -0.139 0.000 1.118 279 W HN 0.088 nan 8.180 nan 0.000 0.629 280 N N 0.305 119.102 118.700 0.163 0.000 2.609 280 N HA -0.101 4.638 4.740 -0.001 0.000 0.190 280 N C 1.605 177.128 175.510 0.022 0.000 1.157 280 N CA 1.399 54.505 53.050 0.093 0.000 0.918 280 N CB -0.465 38.075 38.487 0.089 0.000 0.978 280 N HN 0.269 nan 8.380 nan 0.000 0.448 281 V N -2.664 117.230 119.914 -0.034 0.000 3.621 281 V HA 0.277 4.397 4.120 -0.001 0.000 0.285 281 V C 0.696 176.685 176.094 -0.174 0.000 1.346 281 V CA -0.199 62.039 62.300 -0.104 0.000 1.104 281 V CB -0.529 31.217 31.823 -0.129 0.000 0.913 281 V HN -0.040 nan 8.190 nan 0.000 0.432 282 L N 2.600 123.734 121.223 -0.147 0.000 2.490 282 L HA 0.206 4.545 4.340 -0.001 0.000 0.274 282 L C -0.286 176.439 176.870 -0.243 0.000 1.201 282 L CA -0.794 53.937 54.840 -0.181 0.000 0.869 282 L CB 0.597 42.614 42.059 -0.071 0.000 1.123 282 L HN 0.162 nan 8.230 nan 0.000 0.484 283 P HA -0.055 nan 4.420 nan 0.000 0.225 283 P C -0.269 176.549 177.300 -0.804 0.000 1.156 283 P CA 1.140 63.804 63.100 -0.727 0.000 0.787 283 P CB 0.269 31.308 31.700 -1.102 0.000 0.802 284 F N -0.850 119.095 119.950 -0.009 0.000 2.650 284 F HA 0.412 4.938 4.527 -0.001 0.000 0.320 284 F C 0.211 176.011 175.800 -0.000 0.000 1.091 284 F CA -1.847 56.153 58.000 -0.001 0.000 0.962 284 F CB -0.021 38.983 39.000 0.007 0.000 1.363 284 F HN -0.378 nan 8.300 nan 0.000 0.482 285 D N 1.157 121.693 120.400 0.226 0.000 2.325 285 D HA 0.438 5.078 4.640 -0.001 0.000 0.251 285 D C -0.617 175.751 176.300 0.112 0.000 1.196 285 D CA 0.403 54.472 54.000 0.113 0.000 0.866 285 D CB 0.596 41.441 40.800 0.076 0.000 1.101 285 D HN 0.641 nan 8.370 nan 0.000 0.476 286 S N 2.642 118.388 115.700 0.078 0.000 2.671 286 S HA 0.703 5.173 4.470 -0.001 0.000 0.277 286 S C -1.003 173.599 174.600 0.003 0.000 1.165 286 S CA -0.939 57.296 58.200 0.058 0.000 0.822 286 S CB 1.295 64.560 63.200 0.108 0.000 1.150 286 S HN 0.281 nan 8.310 nan 0.000 0.479 287 I N 0.571 121.134 120.570 -0.013 0.000 2.689 287 I HA 0.725 4.894 4.170 -0.001 0.000 0.299 287 I C -0.707 175.381 176.117 -0.049 0.000 1.059 287 I CA -0.869 60.408 61.300 -0.037 0.000 1.055 287 I CB 1.390 39.368 38.000 -0.036 0.000 1.243 287 I HN 0.848 nan 8.210 nan 0.000 0.425 288 F N 5.419 125.165 119.950 -0.340 0.000 3.074 288 F HA -0.227 4.300 4.527 -0.001 0.000 0.287 288 F C -0.457 174.837 175.800 -0.843 0.000 0.932 288 F CA 0.500 58.061 58.000 -0.730 0.000 0.995 288 F CB -0.663 37.778 39.000 -0.931 0.000 0.966 288 F HN 0.449 nan 8.300 nan 0.000 0.721 289 R N 0.442 120.539 120.500 -0.671 0.000 2.673 289 R HA 0.678 5.017 4.340 -0.001 0.000 0.281 289 R C -1.040 174.841 176.300 -0.697 0.000 0.991 289 R CA -0.603 55.168 56.100 -0.548 0.000 0.896 289 R CB 1.426 31.648 30.300 -0.129 0.000 1.201 289 R HN -0.000 nan 8.270 nan 0.000 0.457 290 F N -0.837 119.212 119.950 0.164 0.000 2.576 290 F HA 0.375 4.902 4.527 -0.001 0.000 0.313 290 F C 1.542 177.236 175.800 -0.177 0.000 1.078 290 F CA -0.803 57.195 58.000 -0.004 0.000 0.921 290 F CB 1.764 40.886 39.000 0.203 0.000 1.232 290 F HN 0.349 nan 8.300 nan 0.000 0.459 291 S N 0.650 116.183 115.700 -0.278 0.000 2.354 291 S HA -0.090 4.379 4.470 -0.001 0.000 0.219 291 S C 0.134 174.273 174.600 -0.768 0.000 1.035 291 S CA 1.330 59.150 58.200 -0.633 0.000 1.037 291 S CB -0.279 62.375 63.200 -0.910 0.000 0.956 291 S HN 0.352 nan 8.310 nan 0.000 0.428 292 F N 1.788 121.750 119.950 0.021 0.000 2.332 292 F HA 0.543 5.070 4.527 -0.001 0.000 0.368 292 F C 0.120 175.945 175.800 0.042 0.000 1.110 292 F CA -0.931 57.118 58.000 0.082 0.000 1.087 292 F CB 0.908 39.994 39.000 0.144 0.000 1.235 292 F HN -0.043 nan 8.300 nan 0.000 0.470 293 V N 0.930 120.829 119.914 -0.025 0.000 3.158 293 V HA 0.759 4.879 4.120 -0.001 0.000 0.311 293 V C -2.862 172.920 176.094 -0.520 0.000 1.181 293 V CA -3.349 58.646 62.300 -0.508 0.000 1.054 293 V CB 1.930 33.625 31.823 -0.213 0.000 1.085 293 V HN 0.252 nan 8.190 nan 0.000 0.446 294 P HA 0.237 nan 4.420 nan 0.000 0.267 294 P C -0.646 176.554 177.300 -0.165 0.000 1.201 294 P CA 0.320 63.198 63.100 -0.370 0.000 0.775 294 P CB 0.393 31.800 31.700 -0.489 0.000 0.854 295 V N 0.675 120.588 119.914 -0.002 0.000 2.769 295 V HA 0.431 4.551 4.120 -0.001 0.000 0.312 295 V C -0.020 176.113 176.094 0.065 0.000 1.061 295 V CA -0.894 61.395 62.300 -0.018 0.000 0.931 295 V CB 1.868 33.696 31.823 0.008 0.000 1.010 295 V HN 0.217 nan 8.190 nan 0.000 0.433 296 I N 4.633 125.171 120.570 -0.054 0.000 2.293 296 I HA 0.199 4.369 4.170 -0.001 0.000 0.299 296 I C 0.787 176.900 176.117 -0.007 0.000 1.153 296 I CA 0.188 61.479 61.300 -0.015 0.000 1.302 296 I CB -0.100 37.819 38.000 -0.136 0.000 1.460 296 I HN 0.970 nan 8.210 nan 0.000 0.552 297 D N 3.062 123.517 120.400 0.092 0.000 2.360 297 D HA 0.099 4.739 4.640 -0.001 0.000 0.210 297 D C 1.412 177.714 176.300 0.004 0.000 1.047 297 D CA 0.682 54.639 54.000 -0.071 0.000 0.854 297 D CB 0.584 41.430 40.800 0.077 0.000 0.936 297 D HN 0.631 nan 8.370 nan 0.000 0.514 298 G N -0.435 108.423 108.800 0.097 0.000 2.253 298 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.251 298 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.251 298 G C 1.046 176.018 174.900 0.120 0.000 0.998 298 G CA 0.646 45.809 45.100 0.104 0.000 0.621 298 G HN 0.384 nan 8.290 nan 0.000 0.524 299 E N -0.851 119.435 120.200 0.143 0.000 2.118 299 E HA 0.432 4.782 4.350 -0.001 0.000 0.203 299 E C 1.819 178.454 176.600 0.057 0.000 0.958 299 E CA 0.440 56.902 56.400 0.103 0.000 0.957 299 E CB -0.748 29.029 29.700 0.129 0.000 1.205 299 E HN 0.473 nan 8.360 nan 0.000 0.494 300 F N 0.694 120.580 119.950 -0.107 0.000 2.091 300 F HA -0.014 4.513 4.527 -0.001 0.000 0.299 300 F C 0.426 175.956 175.800 -0.450 0.000 1.103 300 F CA 1.237 59.038 58.000 -0.332 0.000 1.228 300 F CB 0.037 38.734 39.000 -0.506 0.000 0.984 300 F HN 0.064 nan 8.300 nan 0.000 0.477 301 F N 1.678 121.789 119.950 0.268 0.000 2.347 301 F HA 0.331 4.857 4.527 -0.001 0.000 0.366 301 F C -1.371 174.475 175.800 0.075 0.000 1.107 301 F CA -2.952 55.141 58.000 0.154 0.000 1.058 301 F CB 0.432 39.509 39.000 0.128 0.000 1.236 301 F HN -0.205 nan 8.300 nan 0.000 0.456 302 P HA -0.108 nan 4.420 nan 0.000 0.216 302 P C 0.446 177.808 177.300 0.103 0.000 1.150 302 P CA 1.536 64.700 63.100 0.106 0.000 0.837 302 P CB 0.275 32.010 31.700 0.057 0.000 0.786 303 T N -4.652 109.971 114.554 0.116 0.000 2.654 303 T HA 0.431 4.780 4.350 -0.001 0.000 0.289 303 T C -0.174 174.566 174.700 0.067 0.000 1.062 303 T CA -0.512 61.632 62.100 0.074 0.000 1.041 303 T CB 0.973 69.871 68.868 0.050 0.000 1.417 303 T HN 0.085 nan 8.240 nan 0.000 0.510 304 S N -0.024 115.691 115.700 0.025 0.000 2.566 304 S HA 0.164 4.633 4.470 -0.001 0.000 0.280 304 S C 1.488 176.088 174.600 -0.000 0.000 1.343 304 S CA -0.676 57.516 58.200 -0.013 0.000 1.036 304 S CB -0.392 62.796 63.200 -0.019 0.000 0.866 304 S HN 0.659 nan 8.310 nan 0.000 0.526 305 L N 0.613 121.797 121.223 -0.065 0.000 2.042 305 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 305 L C 2.944 179.847 176.870 0.055 0.000 1.076 305 L CA 1.940 56.760 54.840 -0.033 0.000 0.749 305 L CB -0.765 41.207 42.059 -0.145 0.000 0.893 305 L HN 0.802 nan 8.230 nan 0.000 0.432 306 E N 0.638 120.865 120.200 0.044 0.000 2.077 306 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 306 E C 2.261 178.924 176.600 0.106 0.000 0.989 306 E CA 1.804 58.264 56.400 0.099 0.000 0.800 306 E CB -0.116 29.628 29.700 0.074 0.000 0.746 306 E HN 0.489 nan 8.360 nan 0.000 0.452 307 S N -0.393 115.351 115.700 0.073 0.000 2.383 307 S HA -0.148 4.322 4.470 -0.001 0.000 0.227 307 S C 2.154 176.800 174.600 0.078 0.000 1.026 307 S CA 1.268 59.507 58.200 0.065 0.000 0.981 307 S CB -0.384 62.840 63.200 0.041 0.000 0.818 307 S HN 0.239 nan 8.310 nan 0.000 0.472 308 M N 1.049 120.712 119.600 0.105 0.000 2.086 308 M HA 0.018 4.498 4.480 -0.001 0.000 0.261 308 M C 2.257 178.706 176.300 0.249 0.000 1.067 308 M CA 1.444 56.832 55.300 0.146 0.000 1.116 308 M CB -0.715 32.005 32.600 0.200 0.000 1.348 308 M HN 0.298 nan 8.290 nan 0.000 0.407 309 L N -0.107 121.279 121.223 0.271 0.000 2.083 309 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 309 L C 2.267 179.326 176.870 0.315 0.000 1.083 309 L CA 0.877 55.923 54.840 0.343 0.000 0.752 309 L CB -0.777 41.389 42.059 0.177 0.000 0.899 309 L HN 0.371 nan 8.230 nan 0.000 0.433 310 N N -0.231 118.583 118.700 0.189 0.000 2.188 310 N HA -0.130 4.610 4.740 -0.001 0.000 0.184 310 N C 1.932 177.512 175.510 0.117 0.000 1.018 310 N CA 1.721 54.870 53.050 0.166 0.000 0.858 310 N CB -0.063 38.496 38.487 0.121 0.000 0.989 310 N HN 0.334 nan 8.380 nan 0.000 0.426 311 S N -1.036 114.656 115.700 -0.012 0.000 2.593 311 S HA 0.228 4.697 4.470 -0.001 0.000 0.217 311 S C 1.324 175.553 174.600 -0.618 0.000 0.966 311 S CA 0.478 58.577 58.200 -0.170 0.000 0.914 311 S CB 0.175 63.300 63.200 -0.125 0.000 0.776 311 S HN 0.388 nan 8.310 nan 0.000 0.523 312 G N 1.937 110.191 108.800 -0.910 0.000 2.153 312 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.252 312 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.252 312 G C 0.012 173.991 174.900 -1.534 0.000 0.994 312 G CA 0.084 43.928 45.100 -2.093 0.000 0.698 312 G HN 0.616 nan 8.290 nan 0.000 0.521 313 N N 0.685 118.949 118.700 -0.728 0.000 2.895 313 N HA 0.506 5.246 4.740 -0.001 0.000 0.277 313 N C -0.107 175.341 175.510 -0.104 0.000 1.185 313 N CA -0.084 52.748 53.050 -0.362 0.000 1.106 313 N CB -0.890 37.521 38.487 -0.128 0.000 1.422 313 N HN 0.688 nan 8.380 nan 0.000 0.521 314 F N -1.201 118.699 119.950 -0.083 0.000 2.807 314 F HA 0.415 4.941 4.527 -0.000 0.000 0.316 314 F C -0.338 175.485 175.800 0.039 0.000 1.162 314 F CA -1.445 56.577 58.000 0.036 0.000 0.910 314 F CB 0.644 39.734 39.000 0.149 0.000 1.314 314 F HN -0.166 nan 8.300 nan 0.000 0.454 315 K N 1.609 122.270 120.400 0.434 0.000 2.416 315 K HA 0.222 4.541 4.320 -0.001 0.000 0.283 315 K C -1.079 175.770 176.600 0.415 0.000 1.037 315 K CA -0.234 56.221 56.287 0.280 0.000 0.995 315 K CB 0.501 33.117 32.500 0.193 0.000 0.938 315 K HN 0.634 nan 8.250 nan 0.000 0.475 316 K N 2.701 123.226 120.400 0.209 0.000 2.262 316 K HA 0.203 4.523 4.320 -0.001 0.000 0.282 316 K C -0.180 176.556 176.600 0.227 0.000 1.066 316 K CA -0.178 56.236 56.287 0.212 0.000 0.901 316 K CB 1.811 34.347 32.500 0.061 0.000 1.089 316 K HN 0.675 nan 8.250 nan 0.000 0.476 317 T N 1.302 116.076 114.554 0.368 0.000 2.647 317 T HA 0.288 4.637 4.350 -0.001 0.000 0.302 317 T C -1.423 173.486 174.700 0.349 0.000 1.389 317 T CA -0.693 61.569 62.100 0.270 0.000 1.037 317 T CB 0.542 69.539 68.868 0.214 0.000 1.755 317 T HN 0.407 nan 8.240 nan 0.000 0.467 318 Q N 0.877 120.849 119.800 0.288 0.000 2.214 318 Q HA 0.777 5.117 4.340 -0.001 0.000 0.251 318 Q C -0.389 175.878 176.000 0.445 0.000 0.936 318 Q CA -0.479 55.548 55.803 0.373 0.000 0.894 318 Q CB 1.377 30.348 28.738 0.388 0.000 1.252 318 Q HN 0.679 nan 8.270 nan 0.000 0.448 319 I N -1.611 119.151 120.570 0.320 0.000 2.802 319 I HA 0.681 4.850 4.170 -0.001 0.000 0.298 319 I C -1.625 174.357 176.117 -0.225 0.000 1.176 319 I CA -1.338 60.012 61.300 0.084 0.000 1.025 319 I CB 1.827 39.708 38.000 -0.199 0.000 1.243 319 I HN 0.547 nan 8.210 nan 0.000 0.424 320 L N 6.928 127.796 121.223 -0.591 0.000 2.385 320 L HA 0.841 5.180 4.340 -0.001 0.000 0.273 320 L C -1.302 175.336 176.870 -0.385 0.000 0.990 320 L CA -0.533 53.849 54.840 -0.764 0.000 0.821 320 L CB 1.703 42.782 42.059 -1.632 0.000 1.279 320 L HN 0.871 nan 8.230 nan 0.000 0.412 321 L N 2.430 123.552 121.223 -0.168 0.000 2.838 321 L HA 1.093 5.433 4.340 -0.001 0.000 0.266 321 L C -0.902 175.733 176.870 -0.392 0.000 1.040 321 L CA -0.375 54.400 54.840 -0.109 0.000 0.906 321 L CB 1.801 43.796 42.059 -0.107 0.000 1.501 321 L HN 0.704 nan 8.230 nan 0.000 0.407 322 G N -0.164 108.230 108.800 -0.677 0.000 2.342 322 G HA2 0.577 4.536 3.960 -0.001 0.000 0.297 322 G HA3 0.577 4.536 3.960 -0.001 0.000 0.297 322 G C -1.566 173.020 174.900 -0.524 0.000 1.313 322 G CA 0.000 44.373 45.100 -1.212 0.000 0.830 322 G HN 1.545 nan 8.290 nan 0.000 0.506 323 V N -2.369 117.416 119.914 -0.215 0.000 3.141 323 V HA 0.878 4.998 4.120 -0.001 0.000 0.312 323 V C -0.851 175.398 176.094 0.258 0.000 1.157 323 V CA -1.410 60.977 62.300 0.143 0.000 1.041 323 V CB 1.932 33.854 31.823 0.165 0.000 1.071 323 V HN 0.695 nan 8.190 nan 0.000 0.441 324 N N 0.771 119.629 118.700 0.264 0.000 2.477 324 N HA 0.432 5.172 4.740 -0.001 0.000 0.284 324 N C 0.547 176.069 175.510 0.021 0.000 1.182 324 N CA -0.576 52.593 53.050 0.198 0.000 0.949 324 N CB 1.662 40.362 38.487 0.355 0.000 1.204 324 N HN 0.915 nan 8.380 nan 0.000 0.526 325 K N -0.087 120.222 120.400 -0.151 0.000 2.097 325 K HA -0.034 4.285 4.320 -0.001 0.000 0.205 325 K C -0.630 176.084 176.600 0.190 0.000 1.050 325 K CA 1.201 57.487 56.287 -0.003 0.000 0.938 325 K CB 0.226 32.712 32.500 -0.022 0.000 0.718 325 K HN 0.496 nan 8.250 nan 0.000 0.442 326 D N 1.251 121.754 120.400 0.173 0.000 2.943 326 D HA 0.033 4.673 4.640 -0.001 0.000 0.347 326 D C 0.193 176.624 176.300 0.219 0.000 1.305 326 D CA -0.079 54.036 54.000 0.191 0.000 0.870 326 D CB 1.148 42.041 40.800 0.155 0.000 1.081 326 D HN 0.171 nan 8.370 nan 0.000 0.492 327 E N 0.567 120.918 120.200 0.251 0.000 2.130 327 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 327 E C 1.970 178.747 176.600 0.294 0.000 0.998 327 E CA 0.919 57.505 56.400 0.310 0.000 0.806 327 E CB 0.037 29.899 29.700 0.270 0.000 0.738 327 E HN 0.402 nan 8.360 nan 0.000 0.459 328 G N 1.238 110.168 108.800 0.215 0.000 2.623 328 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.214 328 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.214 328 G C 1.708 176.728 174.900 0.200 0.000 1.138 328 G CA 0.861 46.093 45.100 0.219 0.000 0.794 328 G HN 0.363 nan 8.290 nan 0.000 0.535 329 S N 1.422 117.222 115.700 0.167 0.000 2.368 329 S HA -0.294 4.176 4.470 -0.001 0.000 0.226 329 S C 2.148 176.760 174.600 0.020 0.000 1.044 329 S CA 1.700 59.973 58.200 0.121 0.000 1.062 329 S CB -0.747 62.457 63.200 0.005 0.000 0.931 329 S HN 0.599 nan 8.310 nan 0.000 0.440 330 F N 2.613 122.445 119.950 -0.196 0.000 2.126 330 F HA -0.002 4.525 4.527 -0.001 0.000 0.299 330 F C 1.664 177.275 175.800 -0.315 0.000 1.096 330 F CA 0.794 58.572 58.000 -0.370 0.000 1.255 330 F CB -1.017 37.616 39.000 -0.612 0.000 0.997 330 F HN 0.183 nan 8.300 nan 0.000 0.479 331 F N 0.589 119.989 119.950 -0.916 0.000 2.186 331 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 331 F C 2.219 177.779 175.800 -0.400 0.000 1.090 331 F CA 1.344 58.834 58.000 -0.850 0.000 1.307 331 F CB -0.934 37.628 39.000 -0.729 0.000 1.019 331 F HN 0.017 nan 8.300 nan 0.000 0.489 332 L N -0.861 120.239 121.223 -0.204 0.000 2.072 332 L HA -0.164 4.176 4.340 -0.001 0.000 0.205 332 L C 2.411 179.118 176.870 -0.272 0.000 1.079 332 L CA 0.511 55.070 54.840 -0.468 0.000 0.752 332 L CB -0.703 40.679 42.059 -1.127 0.000 0.906 332 L HN 0.140 nan 8.230 nan 0.000 0.436 333 L N -0.829 120.423 121.223 0.049 0.000 2.013 333 L HA -0.279 4.060 4.340 -0.001 0.000 0.212 333 L C 2.390 179.395 176.870 0.225 0.000 1.073 333 L CA 2.072 57.118 54.840 0.343 0.000 0.753 333 L CB -0.659 41.647 42.059 0.412 0.000 0.890 333 L HN 0.118 nan 8.230 nan 0.000 0.432 334 Y N -0.717 119.598 120.300 0.026 0.000 2.373 334 Y HA 0.126 4.676 4.550 -0.001 0.000 0.293 334 Y C 2.261 178.128 175.900 -0.055 0.000 1.129 334 Y CA 1.164 59.263 58.100 -0.000 0.000 1.226 334 Y CB -0.294 38.117 38.460 -0.083 0.000 1.000 334 Y HN 0.311 nan 8.280 nan 0.000 0.549 335 G N -1.854 106.978 108.800 0.054 0.000 3.581 335 G HA2 0.459 4.419 3.960 -0.001 0.000 0.248 335 G HA3 0.459 4.419 3.960 -0.001 0.000 0.248 335 G C -0.218 174.693 174.900 0.019 0.000 1.037 335 G CA 0.340 45.445 45.100 0.008 0.000 0.902 335 G HN 0.277 nan 8.290 nan 0.000 0.512 336 A N 1.714 124.558 122.820 0.040 0.000 2.305 336 A HA 0.805 5.124 4.320 -0.001 0.000 0.322 336 A C -2.472 175.263 177.584 0.251 0.000 1.187 336 A CA -1.575 50.531 52.037 0.115 0.000 0.825 336 A CB 1.227 20.267 19.000 0.068 0.000 1.164 336 A HN 0.065 nan 8.150 nan 0.000 0.498 337 P HA 0.286 nan 4.420 nan 0.000 0.268 337 P C 0.810 178.163 177.300 0.089 0.000 1.204 337 P CA 1.369 64.538 63.100 0.116 0.000 0.768 337 P CB 1.169 32.902 31.700 0.056 0.000 0.842 338 G N 1.849 110.652 108.800 0.005 0.000 2.238 338 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.217 338 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.217 338 G C -0.267 174.433 174.900 -0.333 0.000 0.996 338 G CA -0.539 44.447 45.100 -0.190 0.000 0.632 338 G HN 0.434 nan 8.290 nan 0.000 0.503 339 F N 2.278 122.171 119.950 -0.095 0.000 2.404 339 F HA 0.676 5.203 4.527 -0.001 0.000 0.339 339 F C 0.810 176.625 175.800 0.024 0.000 1.105 339 F CA 0.141 58.060 58.000 -0.134 0.000 1.087 339 F CB 2.180 41.141 39.000 -0.066 0.000 1.143 339 F HN 0.380 nan 8.300 nan 0.000 0.491 340 S N 1.428 117.287 115.700 0.264 0.000 2.550 340 S HA 0.320 4.790 4.470 -0.001 0.000 0.270 340 S C 0.155 174.993 174.600 0.396 0.000 1.145 340 S CA -1.142 57.230 58.200 0.287 0.000 0.852 340 S CB 1.932 65.221 63.200 0.147 0.000 1.119 340 S HN 0.704 nan 8.310 nan 0.000 0.465 341 K N 0.024 120.601 120.400 0.294 0.000 2.147 341 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 341 K C -0.044 176.624 176.600 0.113 0.000 1.049 341 K CA 1.723 58.090 56.287 0.132 0.000 0.936 341 K CB -0.151 32.095 32.500 -0.423 0.000 0.722 341 K HN 0.643 nan 8.250 nan 0.000 0.446 342 D N 0.187 120.642 120.400 0.092 0.000 2.402 342 D HA 0.024 4.664 4.640 -0.001 0.000 0.216 342 D C 0.049 176.405 176.300 0.093 0.000 1.128 342 D CA 0.108 54.143 54.000 0.057 0.000 0.833 342 D CB 0.786 41.583 40.800 -0.006 0.000 0.971 342 D HN 0.183 nan 8.370 nan 0.000 0.503 343 S N -1.035 114.749 115.700 0.139 0.000 2.745 343 S HA 0.362 4.832 4.470 -0.001 0.000 0.306 343 S C 0.769 175.433 174.600 0.106 0.000 1.137 343 S CA -0.708 57.536 58.200 0.073 0.000 0.900 343 S CB 2.310 65.506 63.200 -0.008 0.000 1.176 343 S HN -0.152 nan 8.310 nan 0.000 0.520 344 E N 0.436 120.644 120.200 0.012 0.000 2.482 344 E HA 0.091 4.441 4.350 -0.001 0.000 0.196 344 E C -0.376 176.004 176.600 -0.368 0.000 1.047 344 E CA 0.319 56.715 56.400 -0.006 0.000 0.869 344 E CB -0.174 29.526 29.700 0.001 0.000 0.836 344 E HN 0.683 nan 8.360 nan 0.000 0.520 345 S N 1.126 116.561 115.700 -0.442 0.000 3.614 345 S HA -0.181 4.289 4.470 -0.001 0.000 0.360 345 S C -0.190 174.043 174.600 -0.611 0.000 1.023 345 S CA 0.677 58.467 58.200 -0.684 0.000 1.114 345 S CB -1.232 61.210 63.200 -1.263 0.000 0.907 345 S HN 0.296 nan 8.310 nan 0.000 0.470 346 K N 0.874 121.059 120.400 -0.359 0.000 2.451 346 K HA 0.214 4.534 4.320 -0.001 0.000 0.280 346 K C 0.403 176.811 176.600 -0.321 0.000 1.020 346 K CA 0.118 56.242 56.287 -0.271 0.000 1.008 346 K CB 0.315 32.718 32.500 -0.162 0.000 0.917 346 K HN 0.221 nan 8.250 nan 0.000 0.478 347 I N 2.177 122.561 120.570 -0.310 0.000 2.460 347 I HA 0.098 4.268 4.170 -0.001 0.000 0.298 347 I C 0.962 176.995 176.117 -0.139 0.000 0.989 347 I CA -0.458 60.670 61.300 -0.286 0.000 1.173 347 I CB 1.421 39.229 38.000 -0.321 0.000 1.338 347 I HN 0.683 nan 8.210 nan 0.000 0.456 348 S N 6.053 121.693 115.700 -0.100 0.000 2.655 348 S HA 0.358 4.828 4.470 -0.001 0.000 0.265 348 S C 1.162 175.763 174.600 0.001 0.000 1.240 348 S CA -0.523 57.644 58.200 -0.054 0.000 0.986 348 S CB 1.382 64.557 63.200 -0.042 0.000 0.985 348 S HN 0.485 nan 8.310 nan 0.000 0.562 349 R N 0.862 121.361 120.500 -0.001 0.000 2.096 349 R HA -0.018 4.322 4.340 -0.001 0.000 0.235 349 R C 2.085 178.461 176.300 0.128 0.000 1.127 349 R CA 1.675 57.799 56.100 0.040 0.000 0.968 349 R CB -1.312 28.995 30.300 0.011 0.000 0.861 349 R HN 0.803 nan 8.270 nan 0.000 0.440 350 E N 0.469 120.714 120.200 0.075 0.000 2.051 350 E HA -0.138 4.212 4.350 -0.001 0.000 0.192 350 E C 1.613 178.259 176.600 0.077 0.000 0.991 350 E CA 1.309 57.753 56.400 0.073 0.000 0.799 350 E CB -0.207 29.517 29.700 0.039 0.000 0.748 350 E HN 0.217 nan 8.360 nan 0.000 0.449 351 D N -0.410 120.024 120.400 0.056 0.000 2.178 351 D HA -0.129 4.510 4.640 -0.001 0.000 0.202 351 D C 1.560 177.912 176.300 0.086 0.000 0.974 351 D CA 0.485 54.511 54.000 0.043 0.000 0.841 351 D CB -0.222 40.567 40.800 -0.019 0.000 0.953 351 D HN 0.103 nan 8.370 nan 0.000 0.478 352 F N 1.005 120.947 119.950 -0.014 0.000 2.069 352 F HA -0.171 4.356 4.527 -0.001 0.000 0.298 352 F C 2.300 178.118 175.800 0.031 0.000 1.113 352 F CA 1.427 59.433 58.000 0.010 0.000 1.214 352 F CB -0.255 38.732 39.000 -0.022 0.000 0.978 352 F HN -0.156 nan 8.300 nan 0.000 0.474 353 M N -0.008 119.684 119.600 0.155 0.000 2.159 353 M HA -0.181 4.298 4.480 -0.001 0.000 0.263 353 M C 2.394 178.672 176.300 -0.036 0.000 1.063 353 M CA 1.879 57.210 55.300 0.052 0.000 1.110 353 M CB -0.593 32.102 32.600 0.158 0.000 1.374 353 M HN 0.409 nan 8.290 nan 0.000 0.411 354 S N -0.212 115.485 115.700 -0.005 0.000 2.428 354 S HA -0.032 4.438 4.470 -0.001 0.000 0.230 354 S C 1.943 176.518 174.600 -0.042 0.000 1.014 354 S CA 1.006 59.199 58.200 -0.012 0.000 0.957 354 S CB -0.982 62.226 63.200 0.013 0.000 0.784 354 S HN 0.526 nan 8.310 nan 0.000 0.499 355 G N 1.516 110.273 108.800 -0.070 0.000 2.408 355 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.217 355 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.217 355 G C 1.529 176.321 174.900 -0.178 0.000 1.150 355 G CA 0.847 45.895 45.100 -0.087 0.000 0.776 355 G HN 0.745 nan 8.290 nan 0.000 0.542 356 V N 0.206 119.950 119.914 -0.283 0.000 2.548 356 V HA 0.067 4.187 4.120 -0.001 0.000 0.249 356 V C 2.513 178.526 176.094 -0.135 0.000 1.055 356 V CA 2.528 64.679 62.300 -0.248 0.000 1.065 356 V CB -0.210 31.433 31.823 -0.301 0.000 0.681 356 V HN 0.260 nan 8.190 nan 0.000 0.462 357 K N 0.379 120.715 120.400 -0.106 0.000 2.026 357 K HA -0.094 4.226 4.320 -0.001 0.000 0.208 357 K C 1.869 178.424 176.600 -0.076 0.000 1.048 357 K CA 2.135 58.373 56.287 -0.081 0.000 0.929 357 K CB -0.924 31.546 32.500 -0.051 0.000 0.713 357 K HN 0.439 nan 8.250 nan 0.000 0.439 358 L N 0.850 122.037 121.223 -0.059 0.000 2.131 358 L HA -0.065 4.274 4.340 -0.001 0.000 0.210 358 L C 2.032 178.876 176.870 -0.043 0.000 1.092 358 L CA 1.659 56.477 54.840 -0.037 0.000 0.759 358 L CB -0.829 41.212 42.059 -0.030 0.000 0.903 358 L HN 0.167 nan 8.230 nan 0.000 0.435 359 S N -1.903 113.752 115.700 -0.074 0.000 2.470 359 S HA 0.090 4.560 4.470 -0.001 0.000 0.225 359 S C 0.919 175.468 174.600 -0.085 0.000 1.006 359 S CA 0.230 58.385 58.200 -0.075 0.000 0.934 359 S CB 0.392 63.524 63.200 -0.114 0.000 0.778 359 S HN 0.149 nan 8.310 nan 0.000 0.517 360 V N 2.759 122.599 119.914 -0.123 0.000 2.468 360 V HA 0.226 4.346 4.120 -0.001 0.000 0.256 360 V C -2.111 173.841 176.094 -0.236 0.000 0.998 360 V CA -1.442 60.727 62.300 -0.218 0.000 1.114 360 V CB 0.609 32.285 31.823 -0.245 0.000 1.378 360 V HN 0.122 nan 8.190 nan 0.000 0.573 361 P HA -0.223 nan 4.420 nan 0.000 0.218 361 P C 1.221 178.191 177.300 -0.549 0.000 1.152 361 P CA 1.689 64.665 63.100 -0.206 0.000 0.857 361 P CB -0.094 31.624 31.700 0.029 0.000 0.787 362 H N -1.764 117.032 119.070 -0.456 0.000 2.536 362 H HA 0.551 5.107 4.556 -0.001 0.000 0.276 362 H C 0.275 175.434 175.328 -0.281 0.000 1.019 362 H CA -0.255 55.519 56.048 -0.457 0.000 1.159 362 H CB -0.537 29.113 29.762 -0.188 0.000 1.373 362 H HN -0.004 nan 8.280 nan 0.000 0.584 363 A N 1.785 124.285 122.820 -0.532 0.000 2.306 363 A HA 0.397 4.716 4.320 -0.001 0.000 0.330 363 A C 0.179 177.620 177.584 -0.240 0.000 1.146 363 A CA -0.669 51.138 52.037 -0.384 0.000 0.827 363 A CB 0.968 19.747 19.000 -0.367 0.000 1.178 363 A HN 0.592 nan 8.150 nan 0.000 0.490 364 N N 0.487 119.085 118.700 -0.169 0.000 2.495 364 N HA 0.217 4.957 4.740 -0.001 0.000 0.294 364 N C -0.064 175.394 175.510 -0.086 0.000 1.276 364 N CA -0.232 52.751 53.050 -0.112 0.000 0.973 364 N CB -0.036 38.400 38.487 -0.085 0.000 1.143 364 N HN 0.471 nan 8.380 nan 0.000 0.589 365 D N -1.041 119.327 120.400 -0.054 0.000 2.117 365 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 365 D C 1.668 177.960 176.300 -0.015 0.000 0.987 365 D CA 0.762 54.745 54.000 -0.029 0.000 0.829 365 D CB -0.201 40.589 40.800 -0.017 0.000 0.961 365 D HN 0.415 nan 8.370 nan 0.000 0.460 366 L N 0.354 121.565 121.223 -0.021 0.000 2.042 366 L HA -0.023 4.317 4.340 -0.001 0.000 0.210 366 L C 2.178 179.052 176.870 0.006 0.000 1.076 366 L CA 2.064 56.902 54.840 -0.003 0.000 0.749 366 L CB -0.943 41.105 42.059 -0.018 0.000 0.893 366 L HN 0.113 nan 8.230 nan 0.000 0.432 367 G N -0.677 108.098 108.800 -0.040 0.000 2.418 367 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 367 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 367 G C 1.579 176.477 174.900 -0.005 0.000 1.158 367 G CA 1.108 46.174 45.100 -0.056 0.000 0.771 367 G HN 0.442 nan 8.290 nan 0.000 0.545 368 L N 0.422 121.636 121.223 -0.015 0.000 2.093 368 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 368 L C 2.502 179.423 176.870 0.084 0.000 1.085 368 L CA 1.055 55.906 54.840 0.017 0.000 0.755 368 L CB -0.373 41.681 42.059 -0.007 0.000 0.904 368 L HN 0.062 nan 8.230 nan 0.000 0.435 369 D N 0.436 120.888 120.400 0.086 0.000 2.117 369 D HA -0.174 4.465 4.640 -0.001 0.000 0.197 369 D C 2.267 178.662 176.300 0.159 0.000 0.987 369 D CA 1.565 55.639 54.000 0.122 0.000 0.829 369 D CB -0.115 40.737 40.800 0.086 0.000 0.961 369 D HN 0.311 nan 8.370 nan 0.000 0.460 370 A N 0.725 123.648 122.820 0.173 0.000 1.883 370 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 370 A C 2.584 180.299 177.584 0.218 0.000 1.186 370 A CA 1.635 53.829 52.037 0.261 0.000 0.624 370 A CB -0.897 18.352 19.000 0.415 0.000 0.822 370 A HN 0.155 nan 8.150 nan 0.000 0.444 371 V N -0.299 119.761 119.914 0.244 0.000 2.295 371 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 371 V C 2.767 178.993 176.094 0.220 0.000 1.049 371 V CA 2.530 64.936 62.300 0.175 0.000 1.024 371 V CB -1.339 30.602 31.823 0.197 0.000 0.648 371 V HN 0.631 nan 8.190 nan 0.000 0.447 372 T N 0.563 115.269 114.554 0.253 0.000 2.684 372 T HA -0.240 4.110 4.350 -0.001 0.000 0.267 372 T C 1.913 176.819 174.700 0.345 0.000 1.036 372 T CA 2.100 64.429 62.100 0.381 0.000 1.148 372 T CB -0.404 68.691 68.868 0.378 0.000 0.863 372 T HN 0.397 nan 8.240 nan 0.000 0.436 373 L N 0.954 122.366 121.223 0.315 0.000 2.042 373 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 373 L C 2.532 179.489 176.870 0.145 0.000 1.076 373 L CA 1.781 56.841 54.840 0.366 0.000 0.749 373 L CB -0.454 41.729 42.059 0.206 0.000 0.893 373 L HN 0.117 nan 8.230 nan 0.000 0.432 374 Q N -1.327 118.425 119.800 -0.080 0.000 2.291 374 Q HA -0.165 4.175 4.340 -0.001 0.000 0.205 374 Q C 0.748 176.472 176.000 -0.459 0.000 0.970 374 Q CA 1.685 57.242 55.803 -0.410 0.000 0.876 374 Q CB -0.070 28.090 28.738 -0.963 0.000 0.935 374 Q HN 0.745 nan 8.270 nan 0.000 0.455 375 Y N -1.628 118.629 120.300 -0.072 0.000 2.641 375 Y HA 0.335 4.885 4.550 -0.001 0.000 0.248 375 Y C -0.318 175.504 175.900 -0.130 0.000 1.170 375 Y CA -0.323 57.773 58.100 -0.007 0.000 1.201 375 Y CB 1.150 39.717 38.460 0.178 0.000 1.232 375 Y HN -0.199 nan 8.280 nan 0.000 0.537 376 T N 0.676 115.089 114.554 -0.236 0.000 2.794 376 T HA 0.097 4.447 4.350 -0.001 0.000 0.280 376 T C -0.823 173.449 174.700 -0.713 0.000 0.987 376 T CA -0.653 61.026 62.100 -0.702 0.000 0.993 376 T CB 1.176 69.221 68.868 -1.371 0.000 0.939 376 T HN -0.015 nan 8.240 nan 0.000 0.449 377 D N 1.991 122.059 120.400 -0.553 0.000 2.393 377 D HA 0.088 4.728 4.640 -0.001 0.000 0.232 377 D C 0.071 176.131 176.300 -0.400 0.000 1.192 377 D CA -0.703 53.092 54.000 -0.341 0.000 0.882 377 D CB 0.353 41.028 40.800 -0.209 0.000 1.038 377 D HN 0.610 nan 8.370 nan 0.000 0.499 378 W N 3.202 124.457 121.300 -0.075 0.000 2.848 378 W HA -0.042 4.617 4.660 -0.001 0.000 0.241 378 W C 1.845 178.331 176.519 -0.055 0.000 1.289 378 W CA 0.024 57.329 57.345 -0.067 0.000 1.396 378 W CB -0.152 29.273 29.460 -0.058 0.000 1.138 378 W HN 0.488 nan 8.180 nan 0.000 0.677 379 M N -1.443 118.204 119.600 0.079 0.000 2.484 379 M HA 0.358 4.838 4.480 -0.001 0.000 0.307 379 M C -0.417 175.884 176.300 0.001 0.000 1.149 379 M CA 0.546 55.879 55.300 0.054 0.000 0.972 379 M CB 0.518 33.142 32.600 0.041 0.000 1.400 379 M HN -0.222 nan 8.290 nan 0.000 0.508 380 D N 1.560 121.933 120.400 -0.045 0.000 3.868 380 D HA -0.020 4.620 4.640 -0.001 0.000 0.283 380 D C 0.406 176.620 176.300 -0.145 0.000 1.439 380 D CA 0.160 54.115 54.000 -0.075 0.000 0.760 380 D CB 0.220 40.977 40.800 -0.072 0.000 1.335 380 D HN 0.466 nan 8.370 nan 0.000 0.737 381 D N -0.817 119.490 120.400 -0.155 0.000 2.263 381 D HA -0.149 4.491 4.640 -0.001 0.000 0.208 381 D C 0.599 176.768 176.300 -0.219 0.000 0.971 381 D CA 0.385 54.222 54.000 -0.272 0.000 0.867 381 D CB 0.194 40.866 40.800 -0.213 0.000 0.929 381 D HN 0.098 nan 8.370 nan 0.000 0.492 382 N N 0.780 119.403 118.700 -0.128 0.000 2.276 382 N HA -0.029 4.711 4.740 -0.001 0.000 0.212 382 N C -0.141 175.307 175.510 -0.103 0.000 1.127 382 N CA -0.149 52.838 53.050 -0.105 0.000 0.834 382 N CB -0.062 38.389 38.487 -0.060 0.000 1.014 382 N HN 0.175 nan 8.380 nan 0.000 0.491 383 N N 0.799 119.426 118.700 -0.121 0.000 2.402 383 N HA 0.063 4.802 4.740 -0.001 0.000 0.252 383 N C 1.292 176.737 175.510 -0.108 0.000 1.118 383 N CA -0.008 52.983 53.050 -0.099 0.000 0.945 383 N CB 0.873 39.304 38.487 -0.093 0.000 1.147 383 N HN 0.145 nan 8.380 nan 0.000 0.495 384 G N 4.278 113.022 108.800 -0.093 0.000 2.450 384 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.220 384 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.220 384 G C 1.457 176.301 174.900 -0.093 0.000 1.130 384 G CA 0.432 45.469 45.100 -0.105 0.000 0.760 384 G HN 0.636 nan 8.290 nan 0.000 0.557 385 I N 0.712 121.245 120.570 -0.061 0.000 2.252 385 I HA -0.061 4.109 4.170 -0.001 0.000 0.245 385 I C 2.565 178.680 176.117 -0.003 0.000 1.102 385 I CA 1.149 62.435 61.300 -0.024 0.000 1.385 385 I CB -0.983 37.018 38.000 0.002 0.000 1.064 385 I HN 0.187 nan 8.210 nan 0.000 0.414 386 K N 0.707 121.087 120.400 -0.032 0.000 2.057 386 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 386 K C 1.914 178.490 176.600 -0.039 0.000 1.049 386 K CA 1.205 57.470 56.287 -0.037 0.000 0.931 386 K CB -0.069 32.375 32.500 -0.094 0.000 0.714 386 K HN 0.286 nan 8.250 nan 0.000 0.440 387 N N 0.743 119.388 118.700 -0.092 0.000 2.120 387 N HA -0.180 4.560 4.740 -0.001 0.000 0.188 387 N C 1.722 177.358 175.510 0.210 0.000 1.024 387 N CA 1.013 54.033 53.050 -0.051 0.000 0.852 387 N CB -0.213 38.218 38.487 -0.093 0.000 1.003 387 N HN 0.200 nan 8.380 nan 0.000 0.424 388 R N 1.030 121.582 120.500 0.088 0.000 2.080 388 R HA -0.126 4.214 4.340 -0.001 0.000 0.236 388 R C 0.931 177.393 176.300 0.271 0.000 1.137 388 R CA 1.727 57.904 56.100 0.128 0.000 0.943 388 R CB -0.096 30.171 30.300 -0.054 0.000 0.846 388 R HN 0.091 nan 8.270 nan 0.000 0.431 389 D N -0.675 119.850 120.400 0.208 0.000 2.144 389 D HA -0.080 4.560 4.640 -0.001 0.000 0.200 389 D C 1.720 178.169 176.300 0.249 0.000 0.978 389 D CA 1.442 55.581 54.000 0.232 0.000 0.833 389 D CB -0.533 40.375 40.800 0.180 0.000 0.961 389 D HN 0.522 nan 8.370 nan 0.000 0.470 390 G N 0.762 109.721 108.800 0.264 0.000 2.418 390 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 390 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 390 G C 1.540 176.617 174.900 0.295 0.000 1.158 390 G CA 0.356 45.667 45.100 0.352 0.000 0.771 390 G HN 0.205 nan 8.290 nan 0.000 0.545 391 L N 1.100 122.523 121.223 0.333 0.000 2.046 391 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 391 L C 2.243 179.150 176.870 0.062 0.000 1.077 391 L CA 2.180 57.089 54.840 0.115 0.000 0.747 391 L CB -0.691 41.498 42.059 0.216 0.000 0.896 391 L HN 0.199 nan 8.230 nan 0.000 0.432 392 D N -0.543 119.959 120.400 0.171 0.000 2.104 392 D HA -0.218 4.421 4.640 -0.001 0.000 0.194 392 D C 1.691 178.053 176.300 0.104 0.000 0.994 392 D CA 1.472 55.566 54.000 0.156 0.000 0.830 392 D CB -0.012 40.948 40.800 0.267 0.000 0.959 392 D HN 0.364 nan 8.370 nan 0.000 0.452 393 D N -0.102 120.378 120.400 0.133 0.000 2.144 393 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 393 D C 2.336 178.626 176.300 -0.018 0.000 0.984 393 D CA 0.387 54.474 54.000 0.145 0.000 0.834 393 D CB -0.197 40.792 40.800 0.315 0.000 0.955 393 D HN 0.377 nan 8.370 nan 0.000 0.465 394 I N 0.504 120.921 120.570 -0.255 0.000 2.163 394 I HA -0.254 3.916 4.170 -0.001 0.000 0.243 394 I C 2.436 178.389 176.117 -0.274 0.000 1.085 394 I CA 0.709 61.768 61.300 -0.402 0.000 1.347 394 I CB -0.148 37.590 38.000 -0.437 0.000 1.044 394 I HN -0.106 nan 8.210 nan 0.000 0.408 395 V N 0.868 120.675 119.914 -0.179 0.000 2.295 395 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 395 V C 2.566 178.533 176.094 -0.212 0.000 1.049 395 V CA 2.221 64.418 62.300 -0.173 0.000 1.024 395 V CB -1.499 30.276 31.823 -0.080 0.000 0.648 395 V HN 0.580 nan 8.190 nan 0.000 0.447 396 G N -0.272 108.472 108.800 -0.094 0.000 2.421 396 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 396 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 396 G C 1.243 176.069 174.900 -0.123 0.000 1.171 396 G CA 1.039 46.109 45.100 -0.049 0.000 0.775 396 G HN 0.502 nan 8.290 nan 0.000 0.543 397 D N -0.159 120.165 120.400 -0.127 0.000 2.097 397 D HA -0.104 4.535 4.640 -0.001 0.000 0.195 397 D C 2.092 178.079 176.300 -0.522 0.000 0.989 397 D CA 1.412 55.306 54.000 -0.176 0.000 0.827 397 D CB -0.477 40.352 40.800 0.048 0.000 0.966 397 D HN 0.436 nan 8.370 nan 0.000 0.456 398 H N 0.826 119.284 119.070 -1.020 0.000 2.357 398 H HA 0.049 4.604 4.556 -0.001 0.000 0.301 398 H C 1.529 176.482 175.328 -0.624 0.000 1.082 398 H CA 1.603 56.954 56.048 -1.162 0.000 1.342 398 H CB 0.042 28.941 29.762 -1.438 0.000 1.389 398 H HN -0.008 nan 8.280 nan 0.000 0.511 399 N N -0.676 117.573 118.700 -0.752 0.000 2.415 399 N HA -0.014 4.725 4.740 -0.001 0.000 0.176 399 N C 1.084 176.320 175.510 -0.458 0.000 1.042 399 N CA 1.040 53.582 53.050 -0.846 0.000 0.902 399 N CB 1.037 38.598 38.487 -1.543 0.000 0.986 399 N HN 0.265 nan 8.380 nan 0.000 0.447 400 V N 0.453 120.194 119.914 -0.288 0.000 3.278 400 V HA 0.142 4.261 4.120 -0.001 0.000 0.215 400 V C 2.070 178.147 176.094 -0.029 0.000 1.287 400 V CA -0.099 62.169 62.300 -0.054 0.000 1.302 400 V CB 0.137 32.006 31.823 0.077 0.000 1.228 400 V HN -0.060 nan 8.190 nan 0.000 0.523 401 I N 0.696 121.260 120.570 -0.009 0.000 2.076 401 I HA -0.319 3.851 4.170 -0.001 0.000 0.237 401 I C 2.588 178.718 176.117 0.021 0.000 1.059 401 I CA 2.091 63.410 61.300 0.033 0.000 1.317 401 I CB -0.574 37.476 38.000 0.083 0.000 1.037 401 I HN 0.400 nan 8.210 nan 0.000 0.398 402 c N 0.724 119.329 118.600 0.008 0.000 2.425 402 c HA -0.054 4.515 4.570 -0.001 0.000 0.277 402 c C 0.288 174.412 174.090 0.057 0.000 1.280 402 c CA 0.729 57.103 56.329 0.075 0.000 1.744 402 c CB -1.914 40.686 42.510 0.150 0.000 1.989 402 c HN 0.388 nan 8.230 nan 0.000 0.491 403 P HA -0.087 nan 4.420 nan 0.000 0.216 403 P C 1.775 179.106 177.300 0.052 0.000 1.153 403 P CA 1.038 64.115 63.100 -0.038 0.000 0.848 403 P CB -0.187 31.398 31.700 -0.191 0.000 0.787 404 L N -1.720 119.516 121.223 0.021 0.000 2.046 404 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 404 L C 2.133 179.052 176.870 0.081 0.000 1.077 404 L CA 1.748 56.621 54.840 0.054 0.000 0.747 404 L CB -0.586 41.480 42.059 0.012 0.000 0.896 404 L HN -0.111 nan 8.230 nan 0.000 0.432 405 M N -1.026 118.611 119.600 0.061 0.000 2.159 405 M HA -0.239 4.241 4.480 -0.001 0.000 0.263 405 M C 2.282 178.649 176.300 0.111 0.000 1.063 405 M CA 1.705 57.039 55.300 0.056 0.000 1.110 405 M CB -1.616 31.034 32.600 0.083 0.000 1.374 405 M HN 0.436 nan 8.290 nan 0.000 0.411 406 H N -0.306 118.803 119.070 0.066 0.000 2.357 406 H HA -0.157 4.399 4.556 -0.001 0.000 0.301 406 H C 1.819 177.193 175.328 0.077 0.000 1.082 406 H CA 1.845 57.938 56.048 0.075 0.000 1.342 406 H CB -0.293 29.513 29.762 0.073 0.000 1.389 406 H HN 0.235 nan 8.280 nan 0.000 0.511 407 F N 0.066 119.992 119.950 -0.041 0.000 2.102 407 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 407 F C 2.472 178.196 175.800 -0.126 0.000 1.105 407 F CA 1.491 59.420 58.000 -0.119 0.000 1.239 407 F CB -0.942 37.992 39.000 -0.110 0.000 0.991 407 F HN 0.133 nan 8.300 nan 0.000 0.474 408 V N 1.026 120.803 119.914 -0.228 0.000 2.490 408 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 408 V C 2.164 178.093 176.094 -0.274 0.000 1.061 408 V CA 2.423 64.487 62.300 -0.394 0.000 1.064 408 V CB -0.646 30.888 31.823 -0.481 0.000 0.670 408 V HN 0.433 nan 8.190 nan 0.000 0.461 409 N N -0.112 118.511 118.700 -0.129 0.000 2.216 409 N HA -0.090 4.650 4.740 -0.001 0.000 0.183 409 N C 1.802 177.281 175.510 -0.052 0.000 1.017 409 N CA 1.031 54.098 53.050 0.029 0.000 0.861 409 N CB -0.165 38.373 38.487 0.085 0.000 0.986 409 N HN 0.427 nan 8.380 nan 0.000 0.428 410 K N 0.300 120.588 120.400 -0.187 0.000 2.103 410 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 410 K C 1.868 178.439 176.600 -0.048 0.000 1.052 410 K CA 0.515 56.730 56.287 -0.121 0.000 0.945 410 K CB -0.507 31.865 32.500 -0.213 0.000 0.722 410 K HN 0.281 nan 8.250 nan 0.000 0.443 411 Y N 2.112 122.154 120.300 -0.429 0.000 2.200 411 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 411 Y C 2.212 178.082 175.900 -0.049 0.000 1.137 411 Y CA 1.746 59.586 58.100 -0.434 0.000 1.163 411 Y CB -0.233 37.665 38.460 -0.936 0.000 0.988 411 Y HN -0.011 nan 8.280 nan 0.000 0.518 412 T N -0.618 113.974 114.554 0.064 0.000 2.881 412 T HA -0.227 4.123 4.350 -0.001 0.000 0.270 412 T C 2.000 176.691 174.700 -0.014 0.000 1.068 412 T CA 1.520 63.686 62.100 0.110 0.000 1.131 412 T CB -0.305 68.725 68.868 0.270 0.000 0.871 412 T HN 0.183 nan 8.240 nan 0.000 0.479 413 K N 0.309 120.661 120.400 -0.081 0.000 2.147 413 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 413 K C 1.437 177.697 176.600 -0.567 0.000 1.049 413 K CA 1.044 57.143 56.287 -0.314 0.000 0.936 413 K CB -0.597 31.673 32.500 -0.384 0.000 0.722 413 K HN 0.640 nan 8.250 nan 0.000 0.446 414 F N -0.824 119.073 119.950 -0.087 0.000 2.752 414 F HA 0.416 4.943 4.527 -0.001 0.000 0.310 414 F C 1.599 177.295 175.800 -0.175 0.000 1.097 414 F CA -0.180 57.733 58.000 -0.144 0.000 1.238 414 F CB -0.118 38.738 39.000 -0.240 0.000 1.061 414 F HN 0.246 nan 8.300 nan 0.000 0.591 415 G N 0.034 108.763 108.800 -0.118 0.000 2.683 415 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.260 415 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.260 415 G C 0.406 175.359 174.900 0.089 0.000 1.238 415 G CA -0.281 44.784 45.100 -0.058 0.000 0.934 415 G HN 0.305 nan 8.290 nan 0.000 0.534 416 N N -0.473 118.332 118.700 0.176 0.000 2.234 416 N HA 0.290 5.029 4.740 -0.001 0.000 0.227 416 N C 0.261 175.857 175.510 0.143 0.000 1.151 416 N CA 0.439 53.566 53.050 0.129 0.000 0.865 416 N CB 0.351 38.908 38.487 0.117 0.000 1.066 416 N HN 0.880 nan 8.380 nan 0.000 0.515 417 G N 0.458 109.356 108.800 0.164 0.000 2.220 417 G HA2 0.032 3.992 3.960 -0.001 0.000 0.232 417 G HA3 0.032 3.992 3.960 -0.001 0.000 0.232 417 G C -1.336 173.614 174.900 0.084 0.000 1.680 417 G CA -0.729 44.430 45.100 0.098 0.000 0.922 417 G HN 0.019 nan 8.290 nan 0.000 0.723 418 T N 1.559 116.030 114.554 -0.139 0.000 2.881 418 T HA 0.677 5.027 4.350 -0.001 0.000 0.290 418 T C -1.310 173.130 174.700 -0.433 0.000 1.000 418 T CA -0.386 61.631 62.100 -0.138 0.000 0.978 418 T CB 1.334 70.203 68.868 0.002 0.000 0.997 418 T HN 0.444 nan 8.240 nan 0.000 0.443 419 Y N 2.004 122.180 120.300 -0.206 0.000 2.338 419 Y HA 0.664 5.213 4.550 -0.001 0.000 0.333 419 Y C -0.510 175.397 175.900 0.011 0.000 0.968 419 Y CA -1.190 56.736 58.100 -0.289 0.000 1.123 419 Y CB 1.498 39.310 38.460 -1.080 0.000 1.165 419 Y HN 0.447 nan 8.280 nan 0.000 0.452 420 L N 5.947 127.501 121.223 0.551 0.000 2.322 420 L HA 0.629 4.969 4.340 -0.001 0.000 0.281 420 L C -1.244 176.079 176.870 0.754 0.000 1.014 420 L CA -0.989 54.132 54.840 0.469 0.000 0.815 420 L CB 0.672 42.866 42.059 0.224 0.000 1.247 420 L HN 0.536 nan 8.230 nan 0.000 0.421 421 Y N 3.317 123.933 120.300 0.527 0.000 2.570 421 Y HA 0.735 5.285 4.550 -0.001 0.000 0.345 421 Y C -1.757 174.404 175.900 0.435 0.000 1.014 421 Y CA -2.069 56.272 58.100 0.402 0.000 1.063 421 Y CB 1.321 39.952 38.460 0.284 0.000 1.272 421 Y HN 0.530 nan 8.280 nan 0.000 0.477 422 F N 4.448 124.720 119.950 0.537 0.000 2.500 422 F HA 0.466 4.993 4.527 -0.001 0.000 0.349 422 F C -1.958 174.144 175.800 0.503 0.000 1.127 422 F CA -1.921 56.326 58.000 0.412 0.000 0.998 422 F CB 0.713 39.916 39.000 0.340 0.000 1.237 422 F HN 0.563 nan 8.300 nan 0.000 0.439 423 F N 8.169 128.185 119.950 0.110 0.000 2.390 423 F HA 0.311 4.838 4.527 -0.001 0.000 0.361 423 F C 0.230 175.877 175.800 -0.255 0.000 1.124 423 F CA -0.318 57.687 58.000 0.007 0.000 1.149 423 F CB 0.527 39.611 39.000 0.140 0.000 1.160 423 F HN 0.536 nan 8.300 nan 0.000 0.501 424 N N 3.321 121.602 118.700 -0.699 0.000 2.433 424 N HA 0.065 4.804 4.740 -0.001 0.000 0.270 424 N C -1.023 174.204 175.510 -0.472 0.000 1.354 424 N CA -0.459 52.282 53.050 -0.514 0.000 0.889 424 N CB -0.733 37.604 38.487 -0.251 0.000 1.285 424 N HN 0.593 nan 8.380 nan 0.000 0.503 425 H N 1.073 119.548 119.070 -0.990 0.000 2.604 425 H HA 0.452 5.008 4.556 -0.001 0.000 0.306 425 H C -0.239 174.932 175.328 -0.261 0.000 1.075 425 H CA -0.494 55.202 56.048 -0.586 0.000 1.357 425 H CB 0.857 30.205 29.762 -0.690 0.000 1.426 425 H HN 0.124 nan 8.280 nan 0.000 0.470 426 R N 4.242 124.347 120.500 -0.657 0.000 2.196 426 R HA 0.484 4.823 4.340 -0.001 0.000 0.340 426 R C -0.789 175.223 176.300 -0.480 0.000 1.043 426 R CA -0.331 55.555 56.100 -0.357 0.000 0.883 426 R CB 0.017 30.203 30.300 -0.190 0.000 1.078 426 R HN 0.724 nan 8.270 nan 0.000 0.462 427 A N 3.607 126.388 122.820 -0.065 0.000 2.546 427 A HA 0.078 4.398 4.320 -0.001 0.000 0.243 427 A C 1.320 178.956 177.584 0.086 0.000 1.063 427 A CA 0.520 52.680 52.037 0.205 0.000 0.757 427 A CB 0.013 19.304 19.000 0.486 0.000 0.991 427 A HN 1.085 nan 8.150 nan 0.000 0.503 428 S N 1.875 117.664 115.700 0.149 0.000 2.440 428 S HA -0.211 4.259 4.470 -0.001 0.000 0.238 428 S C 0.890 175.472 174.600 -0.030 0.000 1.010 428 S CA 1.467 59.704 58.200 0.062 0.000 0.972 428 S CB -0.497 62.767 63.200 0.106 0.000 0.774 428 S HN 0.956 nan 8.310 nan 0.000 0.501 429 N N 0.474 119.112 118.700 -0.104 0.000 2.234 429 N HA 0.229 4.968 4.740 -0.001 0.000 0.227 429 N C -0.075 175.357 175.510 -0.130 0.000 1.151 429 N CA -0.404 52.540 53.050 -0.177 0.000 0.865 429 N CB -0.433 37.834 38.487 -0.366 0.000 1.066 429 N HN 0.347 nan 8.380 nan 0.000 0.515 430 L N 1.811 123.003 121.223 -0.051 0.000 2.559 430 L HA -0.022 4.317 4.340 -0.001 0.000 0.274 430 L C 1.431 178.255 176.870 -0.077 0.000 1.205 430 L CA 0.206 55.031 54.840 -0.025 0.000 0.907 430 L CB 0.980 43.042 42.059 0.006 0.000 1.153 430 L HN 0.191 nan 8.230 nan 0.000 0.490 431 V N 0.773 120.591 119.914 -0.160 0.000 3.608 431 V HA 0.039 4.158 4.120 -0.001 0.000 0.269 431 V C 0.509 176.509 176.094 -0.157 0.000 1.245 431 V CA -0.439 61.731 62.300 -0.216 0.000 1.138 431 V CB -0.684 30.886 31.823 -0.421 0.000 0.841 431 V HN 0.602 nan 8.190 nan 0.000 0.451 432 W N 2.019 123.295 121.300 -0.040 0.000 2.237 432 W HA 0.528 5.188 4.660 -0.001 0.000 0.335 432 W C -1.742 174.679 176.519 -0.163 0.000 1.230 432 W CA -2.267 55.030 57.345 -0.080 0.000 1.253 432 W CB 0.036 29.358 29.460 -0.229 0.000 1.129 432 W HN -0.002 nan 8.180 nan 0.000 0.590 433 P HA -0.118 nan 4.420 nan 0.000 0.267 433 P C 0.316 177.545 177.300 -0.118 0.000 1.200 433 P CA 0.426 63.503 63.100 -0.037 0.000 0.772 433 P CB 0.910 32.615 31.700 0.009 0.000 0.855 434 E N 2.412 122.618 120.200 0.010 0.000 2.219 434 E HA -0.168 4.182 4.350 -0.001 0.000 0.198 434 E C 1.524 178.170 176.600 0.077 0.000 0.998 434 E CA 1.081 57.502 56.400 0.036 0.000 0.818 434 E CB -0.235 29.515 29.700 0.083 0.000 0.741 434 E HN 0.650 nan 8.360 nan 0.000 0.477 435 W N -0.580 120.777 121.300 0.095 0.000 2.525 435 W HA -0.083 4.576 4.660 -0.001 0.000 0.259 435 W C 1.095 177.688 176.519 0.124 0.000 1.253 435 W CA 0.189 57.600 57.345 0.110 0.000 1.262 435 W CB -0.497 29.037 29.460 0.124 0.000 1.122 435 W HN 0.044 nan 8.180 nan 0.000 0.607 436 M N 1.321 120.644 119.600 -0.461 0.000 2.595 436 M HA 0.161 4.640 4.480 -0.001 0.000 0.248 436 M C 1.799 178.017 176.300 -0.136 0.000 1.119 436 M CA 1.219 56.222 55.300 -0.495 0.000 1.079 436 M CB -0.491 31.615 32.600 -0.823 0.000 1.472 436 M HN 0.129 nan 8.290 nan 0.000 0.501 437 G N 0.748 109.521 108.800 -0.046 0.000 2.634 437 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.309 437 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.309 437 G C -0.092 174.803 174.900 -0.007 0.000 1.265 437 G CA -0.061 45.044 45.100 0.009 0.000 0.998 437 G HN 0.229 nan 8.290 nan 0.000 0.551 438 V N 1.967 121.907 119.914 0.043 0.000 2.299 438 V HA 0.383 4.503 4.120 -0.001 0.000 0.255 438 V C 1.057 177.254 176.094 0.172 0.000 1.100 438 V CA -0.146 62.218 62.300 0.106 0.000 0.938 438 V CB 0.061 31.929 31.823 0.075 0.000 1.139 438 V HN 0.521 nan 8.190 nan 0.000 0.490 439 I N 2.846 123.488 120.570 0.120 0.000 2.813 439 I HA 0.058 4.228 4.170 -0.001 0.000 0.287 439 I C 0.973 177.324 176.117 0.389 0.000 1.196 439 I CA -0.286 61.100 61.300 0.144 0.000 1.421 439 I CB 0.104 37.988 38.000 -0.194 0.000 1.365 439 I HN 0.554 nan 8.210 nan 0.000 0.591 440 H N 4.447 123.663 119.070 0.244 0.000 3.157 440 H HA 0.170 4.725 4.556 -0.001 0.000 0.299 440 H C 0.945 176.367 175.328 0.157 0.000 0.961 440 H CA 0.986 57.182 56.048 0.247 0.000 1.428 440 H CB 0.063 30.025 29.762 0.333 0.000 1.459 440 H HN 0.747 nan 8.280 nan 0.000 0.566 441 G N 3.704 112.456 108.800 -0.080 0.000 2.213 441 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.236 441 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.236 441 G C 0.608 175.526 174.900 0.030 0.000 0.991 441 G CA 0.315 45.338 45.100 -0.128 0.000 0.629 441 G HN 0.611 nan 8.290 nan 0.000 0.517 442 Y N 1.656 122.087 120.300 0.219 0.000 2.471 442 Y HA 0.219 4.769 4.550 -0.001 0.000 0.286 442 Y C 2.363 178.381 175.900 0.197 0.000 1.188 442 Y CA 1.007 59.275 58.100 0.280 0.000 1.286 442 Y CB 0.368 39.023 38.460 0.325 0.000 1.072 442 Y HN 0.519 nan 8.280 nan 0.000 0.517 443 E N 0.110 120.278 120.200 -0.054 0.000 2.400 443 E HA -0.060 4.290 4.350 -0.001 0.000 0.195 443 E C 1.676 178.180 176.600 -0.160 0.000 1.012 443 E CA 0.591 56.610 56.400 -0.634 0.000 0.875 443 E CB -0.472 28.633 29.700 -0.991 0.000 0.859 443 E HN 0.510 nan 8.360 nan 0.000 0.498 444 I N 2.788 123.374 120.570 0.027 0.000 2.118 444 I HA -0.336 3.834 4.170 -0.001 0.000 0.241 444 I C 2.660 178.818 176.117 0.069 0.000 1.070 444 I CA 2.250 63.624 61.300 0.125 0.000 1.327 444 I CB -0.521 37.615 38.000 0.228 0.000 1.034 444 I HN 0.216 nan 8.210 nan 0.000 0.405 445 E N 0.871 121.048 120.200 -0.038 0.000 2.171 445 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 445 E C 2.036 178.452 176.600 -0.306 0.000 0.997 445 E CA 1.645 57.939 56.400 -0.177 0.000 0.810 445 E CB -0.585 28.993 29.700 -0.204 0.000 0.738 445 E HN 0.465 nan 8.360 nan 0.000 0.467 446 F N 0.980 120.816 119.950 -0.191 0.000 2.270 446 F HA -0.015 4.512 4.527 -0.001 0.000 0.295 446 F C 2.376 177.983 175.800 -0.322 0.000 1.087 446 F CA 0.506 58.353 58.000 -0.254 0.000 1.365 446 F CB -0.116 38.766 39.000 -0.197 0.000 1.056 446 F HN -0.140 nan 8.300 nan 0.000 0.506 447 V N -1.026 118.781 119.914 -0.179 0.000 2.515 447 V HA -0.262 3.858 4.120 -0.001 0.000 0.250 447 V C 1.605 177.473 176.094 -0.378 0.000 1.058 447 V CA 1.610 63.657 62.300 -0.421 0.000 1.064 447 V CB -0.620 30.978 31.823 -0.375 0.000 0.675 447 V HN 0.221 nan 8.190 nan 0.000 0.461 448 F N 0.239 120.053 119.950 -0.226 0.000 2.765 448 F HA 0.409 4.935 4.527 -0.001 0.000 0.302 448 F C 1.796 177.505 175.800 -0.151 0.000 1.111 448 F CA 0.677 58.571 58.000 -0.176 0.000 1.359 448 F CB -0.005 38.872 39.000 -0.205 0.000 1.097 448 F HN 0.251 nan 8.300 nan 0.000 0.577 449 G N 0.196 108.909 108.800 -0.145 0.000 2.143 449 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.248 449 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.248 449 G C 1.110 175.683 174.900 -0.546 0.000 0.991 449 G CA 0.342 45.273 45.100 -0.283 0.000 0.689 449 G HN 0.243 nan 8.290 nan 0.000 0.522 450 L N -0.241 120.646 121.223 -0.561 0.000 2.187 450 L HA -0.057 4.282 4.340 -0.001 0.000 0.213 450 L C 0.026 176.470 176.870 -0.710 0.000 1.100 450 L CA 2.382 56.847 54.840 -0.624 0.000 0.765 450 L CB -1.877 39.947 42.059 -0.393 0.000 0.904 450 L HN 0.201 nan 8.230 nan 0.000 0.437 451 P HA -0.058 nan 4.420 nan 0.000 0.239 451 P C 1.865 178.915 177.300 -0.417 0.000 1.184 451 P CA 0.673 63.190 63.100 -0.971 0.000 0.760 451 P CB 0.130 31.160 31.700 -1.116 0.000 0.884 452 L N -1.453 119.519 121.223 -0.418 0.000 2.341 452 L HA 0.059 4.399 4.340 -0.001 0.000 0.214 452 L C 1.061 177.799 176.870 -0.218 0.000 1.115 452 L CA 0.508 55.185 54.840 -0.271 0.000 0.820 452 L CB -0.187 41.721 42.059 -0.252 0.000 0.944 452 L HN -0.079 nan 8.230 nan 0.000 0.452 453 V N -0.955 118.792 119.914 -0.278 0.000 2.348 453 V HA 0.085 4.205 4.120 -0.001 0.000 0.270 453 V C 1.380 177.431 176.094 -0.073 0.000 1.037 453 V CA -0.339 61.863 62.300 -0.163 0.000 0.872 453 V CB 1.486 33.197 31.823 -0.187 0.000 1.002 453 V HN 0.073 nan 8.190 nan 0.000 0.464 454 K N 3.752 124.125 120.400 -0.045 0.000 2.059 454 K HA -0.203 4.116 4.320 -0.001 0.000 0.212 454 K C 1.805 178.393 176.600 -0.020 0.000 1.050 454 K CA 2.316 58.591 56.287 -0.020 0.000 0.927 454 K CB -0.669 31.818 32.500 -0.020 0.000 0.714 454 K HN 1.008 nan 8.250 nan 0.000 0.447 455 E N 0.729 120.910 120.200 -0.031 0.000 2.273 455 E HA -0.098 4.251 4.350 -0.001 0.000 0.198 455 E C 1.773 178.342 176.600 -0.051 0.000 1.002 455 E CA 0.920 57.297 56.400 -0.039 0.000 0.828 455 E CB -0.430 29.247 29.700 -0.038 0.000 0.747 455 E HN 0.363 nan 8.360 nan 0.000 0.491 456 L N 0.109 121.312 121.223 -0.034 0.000 2.610 456 L HA 0.050 4.390 4.340 -0.001 0.000 0.232 456 L C -0.222 176.561 176.870 -0.144 0.000 1.149 456 L CA 0.204 55.014 54.840 -0.050 0.000 0.872 456 L CB -0.732 41.368 42.059 0.068 0.000 0.992 456 L HN 0.247 nan 8.230 nan 0.000 0.447 457 N N -1.636 117.015 118.700 -0.081 0.000 2.783 457 N HA -0.221 4.519 4.740 -0.001 0.000 0.247 457 N C -0.729 174.680 175.510 -0.168 0.000 1.089 457 N CA 0.082 53.059 53.050 -0.122 0.000 0.690 457 N CB -1.183 37.202 38.487 -0.169 0.000 0.991 457 N HN 0.258 nan 8.380 nan 0.000 0.552 458 Y N 0.356 120.619 120.300 -0.060 0.000 2.458 458 Y HA 0.385 4.935 4.550 -0.001 0.000 0.322 458 Y C 1.645 177.544 175.900 -0.001 0.000 1.259 458 Y CA -0.293 57.792 58.100 -0.026 0.000 1.302 458 Y CB 0.709 39.128 38.460 -0.068 0.000 1.314 458 Y HN 0.049 nan 8.280 nan 0.000 0.509 459 T N -1.978 112.703 114.554 0.212 0.000 2.754 459 T HA 0.409 4.759 4.350 -0.001 0.000 0.286 459 T C 1.147 175.909 174.700 0.104 0.000 0.997 459 T CA -0.206 61.971 62.100 0.127 0.000 0.982 459 T CB 1.059 70.003 68.868 0.126 0.000 1.027 459 T HN 0.748 nan 8.240 nan 0.000 0.529 460 A N 0.750 123.606 122.820 0.059 0.000 1.969 460 A HA -0.046 4.274 4.320 -0.001 0.000 0.218 460 A C 2.319 179.918 177.584 0.025 0.000 1.169 460 A CA 1.100 53.156 52.037 0.032 0.000 0.635 460 A CB -0.697 18.313 19.000 0.017 0.000 0.810 460 A HN 0.926 nan 8.150 nan 0.000 0.445 461 E N 0.700 120.919 120.200 0.031 0.000 2.152 461 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 461 E C 1.470 178.073 176.600 0.004 0.000 0.983 461 E CA 1.229 57.631 56.400 0.003 0.000 0.818 461 E CB -0.588 29.107 29.700 -0.008 0.000 0.758 461 E HN 0.779 nan 8.360 nan 0.000 0.467 462 E N 1.120 121.368 120.200 0.079 0.000 2.106 462 E HA -0.196 4.153 4.350 -0.001 0.000 0.192 462 E C 2.134 178.814 176.600 0.133 0.000 0.984 462 E CA 1.239 57.758 56.400 0.198 0.000 0.806 462 E CB -0.063 29.893 29.700 0.427 0.000 0.750 462 E HN 0.473 nan 8.360 nan 0.000 0.458 463 E N 1.157 121.369 120.200 0.020 0.000 2.077 463 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 463 E C 2.011 178.583 176.600 -0.047 0.000 0.989 463 E CA 1.174 57.532 56.400 -0.070 0.000 0.800 463 E CB -0.108 29.555 29.700 -0.063 0.000 0.746 463 E HN 0.186 nan 8.360 nan 0.000 0.452 464 A N 1.147 123.950 122.820 -0.027 0.000 1.902 464 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 464 A C 2.218 179.774 177.584 -0.047 0.000 1.181 464 A CA 1.444 53.455 52.037 -0.043 0.000 0.623 464 A CB -0.798 18.178 19.000 -0.039 0.000 0.818 464 A HN 0.424 nan 8.150 nan 0.000 0.443 465 L N -0.097 121.113 121.223 -0.021 0.000 2.012 465 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 465 L C 2.568 179.459 176.870 0.034 0.000 1.073 465 L CA 2.676 57.500 54.840 -0.027 0.000 0.748 465 L CB -0.931 41.069 42.059 -0.098 0.000 0.891 465 L HN 0.344 nan 8.230 nan 0.000 0.431 466 S N -0.780 115.007 115.700 0.144 0.000 2.370 466 S HA -0.221 4.249 4.470 -0.001 0.000 0.226 466 S C 2.183 176.735 174.600 -0.080 0.000 1.033 466 S CA 1.472 59.711 58.200 0.065 0.000 1.011 466 S CB -0.235 62.901 63.200 -0.106 0.000 0.852 466 S HN 0.551 nan 8.310 nan 0.000 0.457 467 R N 0.268 120.713 120.500 -0.091 0.000 2.096 467 R HA 0.086 4.425 4.340 -0.001 0.000 0.235 467 R C 2.786 179.007 176.300 -0.131 0.000 1.127 467 R CA 1.076 57.112 56.100 -0.106 0.000 0.968 467 R CB -0.221 30.017 30.300 -0.104 0.000 0.861 467 R HN 0.311 nan 8.270 nan 0.000 0.440 468 R N 0.582 120.974 120.500 -0.181 0.000 2.083 468 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 468 R C 2.278 178.308 176.300 -0.450 0.000 1.137 468 R CA 1.418 57.295 56.100 -0.372 0.000 0.951 468 R CB -0.403 29.695 30.300 -0.336 0.000 0.851 468 R HN 0.263 nan 8.270 nan 0.000 0.434 469 I N 0.507 120.950 120.570 -0.212 0.000 2.202 469 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 469 I C 2.577 178.579 176.117 -0.192 0.000 1.091 469 I CA 1.244 62.444 61.300 -0.167 0.000 1.368 469 I CB -0.182 37.607 38.000 -0.352 0.000 1.058 469 I HN 0.163 nan 8.210 nan 0.000 0.410 470 M N -0.577 118.906 119.600 -0.196 0.000 2.149 470 M HA -0.271 4.208 4.480 -0.001 0.000 0.261 470 M C 2.403 178.724 176.300 0.035 0.000 1.064 470 M CA 1.810 57.028 55.300 -0.136 0.000 1.102 470 M CB -0.698 31.832 32.600 -0.117 0.000 1.369 470 M HN 0.283 nan 8.290 nan 0.000 0.408 471 H N -0.572 118.462 119.070 -0.059 0.000 2.428 471 H HA -0.107 4.448 4.556 -0.001 0.000 0.296 471 H C 1.473 176.904 175.328 0.172 0.000 1.062 471 H CA 1.664 57.712 56.048 -0.001 0.000 1.350 471 H CB 0.099 29.813 29.762 -0.081 0.000 1.403 471 H HN 0.272 nan 8.280 nan 0.000 0.533 472 Y N -0.949 119.476 120.300 0.208 0.000 2.133 472 Y HA -0.217 4.333 4.550 -0.001 0.000 0.287 472 Y C 2.482 178.581 175.900 0.332 0.000 1.134 472 Y CA 1.030 59.308 58.100 0.297 0.000 1.133 472 Y CB -1.062 37.777 38.460 0.632 0.000 0.987 472 Y HN 0.336 nan 8.280 nan 0.000 0.502 473 W N -0.323 121.080 121.300 0.171 0.000 2.335 473 W HA -0.262 4.398 4.660 -0.000 0.000 0.311 473 W C 2.588 179.097 176.519 -0.016 0.000 1.213 473 W CA 1.100 58.475 57.345 0.051 0.000 1.274 473 W CB -0.475 28.951 29.460 -0.057 0.000 1.148 473 W HN 0.068 nan 8.180 nan 0.000 0.498 474 A N 0.038 122.952 122.820 0.157 0.000 1.898 474 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 474 A C 1.790 179.336 177.584 -0.063 0.000 1.181 474 A CA 2.239 54.278 52.037 0.004 0.000 0.620 474 A CB -1.248 17.741 19.000 -0.019 0.000 0.819 474 A HN 0.209 nan 8.150 nan 0.000 0.442 475 T N -0.689 113.773 114.554 -0.153 0.000 2.833 475 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 475 T C 1.575 176.217 174.700 -0.097 0.000 1.054 475 T CA 1.544 63.533 62.100 -0.185 0.000 1.135 475 T CB -0.371 68.334 68.868 -0.272 0.000 0.869 475 T HN 0.511 nan 8.240 nan 0.000 0.466 476 F N 2.251 122.104 119.950 -0.162 0.000 2.113 476 F HA 0.126 4.653 4.527 -0.001 0.000 0.297 476 F C 2.434 178.147 175.800 -0.144 0.000 1.103 476 F CA 0.858 58.729 58.000 -0.215 0.000 1.248 476 F CB -0.688 38.120 39.000 -0.320 0.000 0.999 476 F HN 0.129 nan 8.300 nan 0.000 0.475 477 A N 0.494 123.181 122.820 -0.221 0.000 1.908 477 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 477 A C 2.337 179.764 177.584 -0.260 0.000 1.181 477 A CA 2.003 53.882 52.037 -0.264 0.000 0.627 477 A CB -0.893 18.050 19.000 -0.094 0.000 0.818 477 A HN 0.515 nan 8.150 nan 0.000 0.445 478 K N -0.875 119.413 120.400 -0.186 0.000 2.103 478 K HA -0.106 4.214 4.320 -0.001 0.000 0.204 478 K C 1.784 178.287 176.600 -0.161 0.000 1.052 478 K CA 1.860 58.065 56.287 -0.137 0.000 0.945 478 K CB -0.083 32.366 32.500 -0.085 0.000 0.722 478 K HN 0.612 nan 8.250 nan 0.000 0.443 479 T N -5.123 109.303 114.554 -0.214 0.000 2.959 479 T HA 0.265 4.614 4.350 -0.001 0.000 0.254 479 T C 1.136 175.698 174.700 -0.230 0.000 1.003 479 T CA 0.510 62.503 62.100 -0.178 0.000 0.950 479 T CB 0.930 69.734 68.868 -0.107 0.000 1.090 479 T HN 0.304 nan 8.240 nan 0.000 0.503 480 G N 1.352 109.880 108.800 -0.454 0.000 2.159 480 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.227 480 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.227 480 G C -0.229 174.612 174.900 -0.098 0.000 0.986 480 G CA -0.022 44.813 45.100 -0.442 0.000 0.651 480 G HN 0.826 nan 8.290 nan 0.000 0.523 481 N N -0.189 118.429 118.700 -0.136 0.000 2.425 481 N HA 0.439 5.179 4.740 -0.001 0.000 0.289 481 N C -1.863 173.521 175.510 -0.210 0.000 1.074 481 N CA -1.401 51.548 53.050 -0.167 0.000 0.905 481 N CB 2.596 41.066 38.487 -0.028 0.000 1.586 481 N HN -0.065 nan 8.380 nan 0.000 0.490 482 P HA -0.018 nan 4.420 nan 0.000 0.229 482 P C -0.416 176.921 177.300 0.061 0.000 1.160 482 P CA 0.511 63.505 63.100 -0.177 0.000 0.777 482 P CB 0.408 31.806 31.700 -0.503 0.000 0.814 483 N N 1.408 120.107 118.700 -0.002 0.000 2.530 483 N HA 0.108 4.848 4.740 -0.001 0.000 0.277 483 N C 0.040 175.623 175.510 0.121 0.000 1.168 483 N CA -0.054 53.084 53.050 0.147 0.000 0.979 483 N CB 0.822 39.394 38.487 0.143 0.000 1.141 483 N HN -0.017 nan 8.380 nan 0.000 0.459 484 E N 2.722 123.024 120.200 0.171 0.000 2.259 484 E HA 0.201 4.551 4.350 -0.001 0.000 0.281 484 E C -1.752 174.914 176.600 0.111 0.000 1.037 484 E CA -1.373 55.114 56.400 0.144 0.000 0.854 484 E CB 0.341 30.152 29.700 0.185 0.000 1.051 484 E HN 0.345 nan 8.360 nan 0.000 0.409 491 K N 2.058 122.560 120.400 0.170 0.000 2.258 491 K HA 0.217 4.536 4.320 -0.001 0.000 0.284 491 K C -0.373 176.397 176.600 0.283 0.000 1.051 491 K CA -0.435 55.984 56.287 0.220 0.000 0.923 491 K CB 0.564 33.171 32.500 0.179 0.000 1.046 491 K HN 0.698 nan 8.250 nan 0.000 0.474 492 W N 6.620 127.979 121.300 0.098 0.000 2.485 492 W HA 0.190 4.849 4.660 -0.000 0.000 0.315 492 W C -2.368 174.268 176.519 0.195 0.000 1.304 492 W CA -2.578 54.822 57.345 0.091 0.000 1.345 492 W CB -0.153 29.279 29.460 -0.047 0.000 1.368 492 W HN 0.375 nan 8.180 nan 0.000 0.497 493 P HA 0.031 nan 4.420 nan 0.000 0.274 493 P C -0.509 176.968 177.300 0.295 0.000 1.231 493 P CA -0.510 62.790 63.100 0.334 0.000 0.790 493 P CB 0.768 32.596 31.700 0.212 0.000 0.951 494 L N 3.268 124.532 121.223 0.068 0.000 2.416 494 L HA 0.305 4.645 4.340 -0.001 0.000 0.272 494 L C -0.465 176.377 176.870 -0.046 0.000 1.161 494 L CA -0.290 54.400 54.840 -0.250 0.000 0.845 494 L CB -0.574 41.351 42.059 -0.222 0.000 1.119 494 L HN 0.192 nan 8.230 nan 0.000 0.464 495 F N 4.538 124.378 119.950 -0.183 0.000 2.438 495 F HA 0.514 5.040 4.527 -0.001 0.000 0.356 495 F C 0.254 176.021 175.800 -0.055 0.000 1.099 495 F CA -0.079 57.907 58.000 -0.023 0.000 1.185 495 F CB 0.609 39.624 39.000 0.025 0.000 1.115 495 F HN 0.677 nan 8.300 nan 0.000 0.526 496 T N 0.827 115.091 114.554 -0.483 0.000 2.924 496 T HA 0.305 4.655 4.350 -0.001 0.000 0.291 496 T C 0.926 175.358 174.700 -0.446 0.000 1.045 496 T CA -0.097 61.827 62.100 -0.294 0.000 1.015 496 T CB 1.355 70.116 68.868 -0.178 0.000 1.103 496 T HN 0.603 nan 8.240 nan 0.000 0.496 497 T N -0.487 113.960 114.554 -0.178 0.000 2.759 497 T HA -0.042 4.308 4.350 -0.001 0.000 0.269 497 T C 2.348 176.956 174.700 -0.154 0.000 1.042 497 T CA 1.717 63.745 62.100 -0.119 0.000 1.140 497 T CB -0.908 67.926 68.868 -0.056 0.000 0.864 497 T HN 0.912 nan 8.240 nan 0.000 0.455 498 K N 2.046 122.357 120.400 -0.149 0.000 1.980 498 K HA -0.003 4.317 4.320 -0.001 0.000 0.208 498 K C 2.242 178.759 176.600 -0.139 0.000 1.043 498 K CA 1.389 57.607 56.287 -0.116 0.000 0.938 498 K CB -0.897 31.551 32.500 -0.086 0.000 0.724 498 K HN 0.547 nan 8.250 nan 0.000 0.438 499 E N 0.085 120.178 120.200 -0.179 0.000 2.170 499 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 499 E C 0.107 176.572 176.600 -0.225 0.000 0.981 499 E CA 0.531 56.836 56.400 -0.158 0.000 0.830 499 E CB 0.150 29.776 29.700 -0.123 0.000 0.775 499 E HN 0.636 nan 8.360 nan 0.000 0.470 500 Q N 0.755 120.246 119.800 -0.515 0.000 2.457 500 Q HA -0.194 4.146 4.340 -0.001 0.000 0.283 500 Q C -0.658 175.236 176.000 -0.177 0.000 1.234 500 Q CA 0.689 56.005 55.803 -0.813 0.000 0.877 500 Q CB -1.557 26.997 28.738 -0.306 0.000 1.250 500 Q HN 0.230 nan 8.270 nan 0.000 0.481 501 K N 0.553 120.901 120.400 -0.085 0.000 2.202 501 K HA 0.566 4.886 4.320 -0.001 0.000 0.264 501 K C 0.052 176.938 176.600 0.477 0.000 1.010 501 K CA 0.119 56.498 56.287 0.154 0.000 0.940 501 K CB 0.484 33.019 32.500 0.058 0.000 0.983 501 K HN 0.204 nan 8.250 nan 0.000 0.475 502 F N -0.433 119.689 119.950 0.287 0.000 2.685 502 F HA 0.619 5.146 4.527 -0.001 0.000 0.315 502 F C -0.975 174.949 175.800 0.207 0.000 1.126 502 F CA -1.550 56.660 58.000 0.350 0.000 0.950 502 F CB 0.784 39.999 39.000 0.358 0.000 1.360 502 F HN 0.429 nan 8.300 nan 0.000 0.469 503 I N -0.846 119.868 120.570 0.241 0.000 2.957 503 I HA 0.645 4.815 4.170 -0.001 0.000 0.310 503 I C -1.104 175.163 176.117 0.250 0.000 1.063 503 I CA -0.857 60.420 61.300 -0.038 0.000 1.033 503 I CB 1.987 39.753 38.000 -0.390 0.000 1.230 503 I HN 0.460 nan 8.210 nan 0.000 0.447 504 D N 2.908 123.426 120.400 0.197 0.000 2.312 504 D HA 0.508 5.148 4.640 -0.001 0.000 0.248 504 D C -0.947 175.433 176.300 0.134 0.000 1.086 504 D CA 0.046 54.249 54.000 0.338 0.000 0.948 504 D CB 2.215 43.213 40.800 0.329 0.000 1.162 504 D HN 0.269 nan 8.370 nan 0.000 0.446 505 L N 2.549 123.844 121.223 0.120 0.000 2.442 505 L HA 0.256 4.596 4.340 -0.001 0.000 0.261 505 L C -0.816 175.967 176.870 -0.144 0.000 1.000 505 L CA -0.352 54.508 54.840 0.034 0.000 0.882 505 L CB 0.350 42.500 42.059 0.152 0.000 1.207 505 L HN 0.492 nan 8.230 nan 0.000 0.443 506 N N -0.558 118.061 118.700 -0.136 0.000 3.522 506 N HA 0.363 5.102 4.740 -0.001 0.000 0.328 506 N C 0.425 175.808 175.510 -0.211 0.000 1.623 506 N CA -0.067 52.841 53.050 -0.236 0.000 0.812 506 N CB 0.304 38.716 38.487 -0.124 0.000 2.008 506 N HN 0.052 nan 8.380 nan 0.000 0.601 507 T N -3.311 111.093 114.554 -0.250 0.000 3.113 507 T HA 0.156 4.505 4.350 -0.001 0.000 0.256 507 T C -0.039 174.617 174.700 -0.072 0.000 1.131 507 T CA 0.269 62.255 62.100 -0.189 0.000 1.074 507 T CB -0.506 68.221 68.868 -0.235 0.000 0.944 507 T HN 0.491 nan 8.240 nan 0.000 0.516 508 E N 1.989 122.167 120.200 -0.037 0.000 2.280 508 E HA 0.362 4.712 4.350 -0.001 0.000 0.261 508 E C -2.729 173.871 176.600 0.001 0.000 1.088 508 E CA -2.618 53.781 56.400 -0.003 0.000 0.915 508 E CB 0.034 29.746 29.700 0.021 0.000 1.141 508 E HN 0.128 nan 8.360 nan 0.000 0.433 509 P HA -0.054 nan 4.420 nan 0.000 0.263 509 P C -0.182 177.122 177.300 0.007 0.000 1.195 509 P CA 0.321 63.428 63.100 0.011 0.000 0.762 509 P CB 0.297 32.004 31.700 0.011 0.000 0.799 510 M N 3.134 122.742 119.600 0.013 0.000 2.243 510 M HA -0.062 4.417 4.480 -0.001 0.000 0.365 510 M C -0.421 175.847 176.300 -0.053 0.000 1.327 510 M CA 1.176 56.472 55.300 -0.007 0.000 0.918 510 M CB 0.090 32.702 32.600 0.021 0.000 1.894 510 M HN 0.033 nan 8.290 nan 0.000 0.473 511 K N 3.975 124.307 120.400 -0.114 0.000 2.324 511 K HA 0.626 4.946 4.320 -0.001 0.000 0.253 511 K C -1.158 175.171 176.600 -0.452 0.000 0.932 511 K CA -0.823 55.314 56.287 -0.250 0.000 0.799 511 K CB 2.273 34.620 32.500 -0.255 0.000 1.154 511 K HN 0.634 nan 8.250 nan 0.000 0.425 512 V N 3.839 123.477 119.914 -0.460 0.000 2.481 512 V HA 0.480 4.599 4.120 -0.001 0.000 0.286 512 V C 0.001 175.660 176.094 -0.726 0.000 1.042 512 V CA -0.526 61.494 62.300 -0.466 0.000 0.928 512 V CB 1.083 32.781 31.823 -0.209 0.000 0.986 512 V HN 0.820 nan 8.190 nan 0.000 0.462 513 H N 2.866 121.577 119.070 -0.598 0.000 2.949 513 H HA 0.653 5.208 4.556 -0.001 0.000 0.310 513 H C -1.035 173.960 175.328 -0.555 0.000 1.405 513 H CA -0.815 54.850 56.048 -0.638 0.000 1.253 513 H CB 2.163 31.369 29.762 -0.927 0.000 1.932 513 H HN 0.552 nan 8.280 nan 0.000 0.602 514 Q N 0.124 119.912 119.800 -0.020 0.000 2.421 514 Q HA 0.360 4.700 4.340 -0.001 0.000 0.280 514 Q C -0.708 175.522 176.000 0.384 0.000 1.085 514 Q CA -0.883 55.032 55.803 0.187 0.000 0.807 514 Q CB 2.874 31.659 28.738 0.079 0.000 1.405 514 Q HN 0.469 nan 8.270 nan 0.000 0.419 515 R N 0.989 121.716 120.500 0.378 0.000 3.127 515 R HA -0.213 4.127 4.340 -0.001 0.000 0.247 515 R C -0.553 175.899 176.300 0.253 0.000 0.896 515 R CA -0.096 56.172 56.100 0.279 0.000 0.624 515 R CB -1.488 28.911 30.300 0.165 0.000 1.154 515 R HN 0.454 nan 8.270 nan 0.000 0.474 516 L N 2.011 123.335 121.223 0.168 0.000 2.660 516 L HA -0.044 4.296 4.340 -0.001 0.000 0.272 516 L C 0.833 177.655 176.870 -0.081 0.000 1.194 516 L CA 0.855 55.549 54.840 -0.243 0.000 0.945 516 L CB -0.140 41.394 42.059 -0.876 0.000 1.212 516 L HN 0.471 nan 8.230 nan 0.000 0.490 517 R N 2.049 122.520 120.500 -0.049 0.000 3.502 517 R HA -0.208 4.132 4.340 -0.001 0.000 0.266 517 R C 1.198 177.556 176.300 0.097 0.000 1.077 517 R CA 0.599 56.718 56.100 0.032 0.000 0.718 517 R CB -2.073 28.259 30.300 0.054 0.000 1.120 517 R HN 0.750 nan 8.270 nan 0.000 0.457 518 V N -1.960 118.012 119.914 0.096 0.000 2.252 518 V HA -0.362 3.758 4.120 -0.001 0.000 0.249 518 V C 2.347 178.514 176.094 0.122 0.000 1.056 518 V CA 2.247 64.618 62.300 0.117 0.000 1.022 518 V CB -0.538 31.347 31.823 0.103 0.000 0.641 518 V HN 0.323 nan 8.190 nan 0.000 0.445 519 Q N -0.212 119.641 119.800 0.088 0.000 2.029 519 Q HA -0.224 4.116 4.340 -0.001 0.000 0.209 519 Q C 2.185 178.245 176.000 0.100 0.000 0.999 519 Q CA 2.395 58.235 55.803 0.063 0.000 0.857 519 Q CB -0.425 28.322 28.738 0.014 0.000 0.926 519 Q HN 0.528 nan 8.270 nan 0.000 0.415 520 M N -1.136 118.545 119.600 0.136 0.000 2.132 520 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 520 M C 2.419 178.999 176.300 0.467 0.000 1.065 520 M CA 0.994 56.451 55.300 0.262 0.000 1.122 520 M CB -1.269 31.546 32.600 0.358 0.000 1.365 520 M HN 0.343 nan 8.290 nan 0.000 0.411 521 c N -0.331 118.493 118.600 0.373 0.000 2.432 521 c HA -0.036 4.534 4.570 -0.001 0.000 0.282 521 c C 2.937 177.211 174.090 0.307 0.000 1.388 521 c CA 0.260 56.818 56.329 0.382 0.000 1.777 521 c CB -0.942 41.726 42.510 0.263 0.000 1.882 521 c HN 0.323 nan 8.230 nan 0.000 0.520 522 V N 0.501 120.558 119.914 0.239 0.000 2.515 522 V HA -0.202 3.918 4.120 -0.001 0.000 0.250 522 V C 2.018 178.236 176.094 0.207 0.000 1.058 522 V CA 2.052 64.466 62.300 0.189 0.000 1.064 522 V CB -0.764 31.143 31.823 0.140 0.000 0.675 522 V HN 0.582 nan 8.190 nan 0.000 0.461 523 F N 0.077 120.065 119.950 0.063 0.000 2.075 523 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 523 F C 1.980 177.763 175.800 -0.027 0.000 1.113 523 F CA 1.781 59.767 58.000 -0.025 0.000 1.218 523 F CB -0.420 38.450 39.000 -0.216 0.000 0.984 523 F HN 0.169 nan 8.300 nan 0.000 0.472 524 W N 0.549 121.933 121.300 0.140 0.000 2.467 524 W HA -0.080 4.580 4.660 -0.001 0.000 0.275 524 W C 1.875 178.365 176.519 -0.048 0.000 1.239 524 W CA 0.751 58.101 57.345 0.008 0.000 1.266 524 W CB -0.374 29.224 29.460 0.230 0.000 1.112 524 W HN 0.003 nan 8.180 nan 0.000 0.576 525 N N -0.908 117.905 118.700 0.188 0.000 2.356 525 N HA 0.024 4.763 4.740 -0.001 0.000 0.178 525 N C 1.201 176.705 175.510 -0.009 0.000 1.075 525 N CA 0.737 53.813 53.050 0.044 0.000 0.889 525 N CB 0.265 38.791 38.487 0.065 0.000 0.999 525 N HN 0.318 nan 8.380 nan 0.000 0.464 526 Q N -1.365 118.448 119.800 0.020 0.000 2.599 526 Q HA 0.260 4.599 4.340 -0.001 0.000 0.229 526 Q C 1.105 177.094 176.000 -0.018 0.000 0.800 526 Q CA -0.217 55.596 55.803 0.017 0.000 0.937 526 Q CB 0.238 29.023 28.738 0.078 0.000 1.285 526 Q HN 0.095 nan 8.270 nan 0.000 0.600 527 F N 1.336 121.187 119.950 -0.165 0.000 2.060 527 F HA -0.148 4.378 4.527 -0.001 0.000 0.295 527 F C 1.853 177.460 175.800 -0.322 0.000 1.120 527 F CA 1.059 58.932 58.000 -0.212 0.000 1.205 527 F CB -0.279 38.614 39.000 -0.178 0.000 0.986 527 F HN 0.084 nan 8.300 nan 0.000 0.470 528 L N 1.110 121.944 121.223 -0.649 0.000 2.013 528 L HA -0.123 4.216 4.340 -0.001 0.000 0.212 528 L C -0.860 175.752 176.870 -0.430 0.000 1.073 528 L CA 2.263 56.689 54.840 -0.690 0.000 0.753 528 L CB -1.892 39.687 42.059 -0.800 0.000 0.890 528 L HN 0.030 nan 8.230 nan 0.000 0.432 529 P HA -0.213 nan 4.420 nan 0.000 0.215 529 P C 1.524 178.699 177.300 -0.208 0.000 1.157 529 P CA 1.633 64.631 63.100 -0.169 0.000 0.868 529 P CB -0.068 31.565 31.700 -0.112 0.000 0.788 530 K N -0.372 119.878 120.400 -0.250 0.000 2.032 530 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 530 K C 1.943 178.356 176.600 -0.311 0.000 1.048 530 K CA 1.349 57.494 56.287 -0.236 0.000 0.927 530 K CB -0.838 31.538 32.500 -0.206 0.000 0.712 530 K HN -0.062 nan 8.250 nan 0.000 0.441 531 L N 1.491 122.396 121.223 -0.530 0.000 2.017 531 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 531 L C 1.804 178.501 176.870 -0.288 0.000 1.073 531 L CA 1.664 56.204 54.840 -0.500 0.000 0.745 531 L CB -0.758 40.815 42.059 -0.811 0.000 0.894 531 L HN 0.270 nan 8.230 nan 0.000 0.432 532 L N -0.119 120.949 121.223 -0.259 0.000 2.141 532 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 532 L C 2.177 178.977 176.870 -0.116 0.000 1.094 532 L CA 1.386 56.128 54.840 -0.163 0.000 0.763 532 L CB -0.666 41.315 42.059 -0.130 0.000 0.908 532 L HN 0.416 nan 8.230 nan 0.000 0.437 533 N N 0.008 118.636 118.700 -0.120 0.000 2.512 533 N HA -0.068 4.671 4.740 -0.001 0.000 0.183 533 N C 1.332 176.796 175.510 -0.077 0.000 1.073 533 N CA 0.897 53.897 53.050 -0.083 0.000 0.911 533 N CB 0.218 38.658 38.487 -0.078 0.000 0.964 533 N HN 0.264 nan 8.380 nan 0.000 0.447 534 A N -1.155 121.609 122.820 -0.095 0.000 2.390 534 A HA 0.245 4.564 4.320 -0.001 0.000 0.232 534 A C 0.703 178.248 177.584 -0.064 0.000 1.233 534 A CA 0.513 52.506 52.037 -0.074 0.000 0.907 534 A CB -0.068 18.883 19.000 -0.082 0.000 0.967 534 A HN 0.378 nan 8.150 nan 0.000 0.512 535 T N 0.000 114.511 114.554 -0.072 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.065 62.100 -0.058 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658