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 2vt7_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 ATA 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 0.073 0.000 1.055 4 S CA 0.000 58.229 58.200 0.048 0.000 1.107 4 S CB 0.000 63.229 63.200 0.048 0.000 0.593 5 E N 0.517 120.767 120.200 0.083 0.000 2.216 5 E HA 0.091 4.442 4.350 0.000 0.000 0.192 5 E C 1.267 177.991 176.600 0.207 0.000 0.988 5 E CA 0.779 57.254 56.400 0.126 0.000 0.834 5 E CB -0.078 29.684 29.700 0.104 0.000 0.772 5 E HN 0.649 nan 8.360 nan 0.000 0.479 6 L N 0.879 122.189 121.223 0.145 0.000 2.446 6 L HA 0.148 4.488 4.340 0.000 0.000 0.219 6 L C 0.954 178.003 176.870 0.299 0.000 1.116 6 L CA -0.095 54.826 54.840 0.136 0.000 0.844 6 L CB 0.302 42.343 42.059 -0.029 0.000 0.970 6 L HN 0.215 nan 8.230 nan 0.000 0.457 7 L N 2.005 123.356 121.223 0.213 0.000 2.255 7 L HA 0.409 4.750 4.340 0.000 0.000 0.289 7 L C -0.934 176.021 176.870 0.141 0.000 1.046 7 L CA 0.089 55.043 54.840 0.190 0.000 0.816 7 L CB 1.279 43.402 42.059 0.108 0.000 1.197 7 L HN -0.225 nan 8.230 nan 0.000 0.427 8 V N 4.975 124.972 119.914 0.138 0.000 2.604 8 V HA 0.397 4.517 4.120 0.000 0.000 0.305 8 V C -0.003 176.029 176.094 -0.103 0.000 1.043 8 V CA -0.964 61.276 62.300 -0.100 0.000 0.888 8 V CB 2.110 33.655 31.823 -0.463 0.000 0.995 8 V HN 0.671 nan 8.190 nan 0.000 0.429 9 N N 2.962 121.523 118.700 -0.231 0.000 2.439 9 N HA 0.380 5.120 4.740 0.000 0.000 0.249 9 N C -0.142 175.097 175.510 -0.452 0.000 1.003 9 N CA -0.035 52.853 53.050 -0.269 0.000 0.942 9 N CB 1.623 39.927 38.487 -0.306 0.000 1.115 9 N HN 0.942 nan 8.380 nan 0.000 0.505 10 T N -0.136 114.279 114.554 -0.231 0.000 2.948 10 T HA 0.357 4.707 4.350 0.000 0.000 0.285 10 T C 1.150 175.707 174.700 -0.239 0.000 1.019 10 T CA -0.598 61.404 62.100 -0.164 0.000 1.013 10 T CB 1.337 70.326 68.868 0.203 0.000 1.117 10 T HN 0.335 nan 8.240 nan 0.000 0.533 11 K N 0.488 120.800 120.400 -0.148 0.000 2.442 11 K HA -0.034 4.286 4.320 0.000 0.000 0.198 11 K C 1.768 178.262 176.600 -0.177 0.000 1.044 11 K CA 1.270 57.471 56.287 -0.144 0.000 0.948 11 K CB -0.137 32.329 32.500 -0.055 0.000 0.762 11 K HN 0.720 nan 8.250 nan 0.000 0.472 12 S N -0.980 114.587 115.700 -0.222 0.000 2.540 12 S HA 0.293 4.763 4.470 0.000 0.000 0.222 12 S C 0.650 174.608 174.600 -1.071 0.000 1.008 12 S CA -0.122 57.842 58.200 -0.393 0.000 0.939 12 S CB 1.218 64.369 63.200 -0.083 0.000 0.865 12 S HN 0.333 nan 8.310 nan 0.000 0.499 13 G N 0.709 108.961 108.800 -0.914 0.000 2.356 13 G HA2 0.260 4.221 3.960 0.000 0.000 0.300 13 G HA3 0.260 4.221 3.960 0.000 0.000 0.300 13 G C -1.960 172.775 174.900 -0.275 0.000 1.331 13 G CA -1.165 43.286 45.100 -1.082 0.000 0.905 13 G HN 0.147 nan 8.290 nan 0.000 0.587 14 K N -0.845 119.592 120.400 0.061 0.000 2.144 14 K HA 0.672 4.992 4.320 0.000 0.000 0.270 14 K C -0.730 176.257 176.600 0.645 0.000 1.005 14 K CA -0.575 55.890 56.287 0.297 0.000 0.932 14 K CB 2.039 34.660 32.500 0.201 0.000 1.021 14 K HN 0.420 nan 8.250 nan 0.000 0.462 15 V N 3.424 123.639 119.914 0.502 0.000 2.841 15 V HA 0.397 4.518 4.120 0.000 0.000 0.310 15 V C -1.556 174.825 176.094 0.479 0.000 1.090 15 V CA -0.900 61.747 62.300 0.580 0.000 0.930 15 V CB 2.060 34.270 31.823 0.645 0.000 1.014 15 V HN 0.754 nan 8.190 nan 0.000 0.425 16 M N 5.388 125.237 119.600 0.414 0.000 2.078 16 M HA 0.752 5.233 4.480 0.000 0.000 0.320 16 M C 0.222 176.635 176.300 0.188 0.000 0.969 16 M CA 0.158 55.628 55.300 0.283 0.000 0.929 16 M CB 1.086 33.780 32.600 0.157 0.000 1.504 16 M HN 0.713 nan 8.290 nan 0.000 0.419 17 G N 1.730 110.538 108.800 0.014 0.000 2.485 17 G HA2 0.543 4.503 3.960 0.000 0.000 0.260 17 G HA3 0.543 4.503 3.960 0.000 0.000 0.260 17 G C -0.867 173.827 174.900 -0.343 0.000 1.459 17 G CA -0.022 44.762 45.100 -0.527 0.000 1.060 17 G HN 0.728 nan 8.290 nan 0.000 0.546 18 T N -1.767 112.537 114.554 -0.417 0.000 2.982 18 T HA 0.461 4.811 4.350 0.000 0.000 0.321 18 T C -0.860 173.719 174.700 -0.201 0.000 1.229 18 T CA -0.680 61.279 62.100 -0.235 0.000 1.044 18 T CB 1.461 70.221 68.868 -0.181 0.000 1.184 18 T HN 0.573 nan 8.240 nan 0.000 0.477 19 R N 3.014 123.442 120.500 -0.120 0.000 2.298 19 R HA 0.617 4.957 4.340 0.000 0.000 0.310 19 R C -0.106 176.191 176.300 -0.004 0.000 1.068 19 R CA -0.416 55.649 56.100 -0.058 0.000 0.957 19 R CB 0.368 30.625 30.300 -0.071 0.000 1.003 19 R HN 0.595 nan 8.270 nan 0.000 0.454 20 V N 2.350 122.295 119.914 0.053 0.000 2.864 20 V HA 0.720 4.841 4.120 0.000 0.000 0.314 20 V C -2.697 173.463 176.094 0.110 0.000 1.073 20 V CA -3.003 59.339 62.300 0.070 0.000 0.956 20 V CB 1.932 33.779 31.823 0.039 0.000 1.023 20 V HN 0.687 nan 8.190 nan 0.000 0.435 21 P HA 0.492 nan 4.420 nan 0.000 0.279 21 P C -1.004 176.177 177.300 -0.200 0.000 1.239 21 P CA -0.212 62.797 63.100 -0.151 0.000 0.789 21 P CB 1.442 33.075 31.700 -0.112 0.000 0.933 22 V N 5.757 125.475 119.914 -0.325 0.000 2.614 22 V HA 0.243 4.363 4.120 0.000 0.000 0.281 22 V C -0.681 175.153 176.094 -0.433 0.000 1.031 22 V CA -0.758 61.336 62.300 -0.343 0.000 0.899 22 V CB -0.042 31.542 31.823 -0.398 0.000 1.037 22 V HN 0.473 nan 8.190 nan 0.000 0.456 23 L N 6.245 127.340 121.223 -0.213 0.000 3.755 23 L HA -0.188 4.152 4.340 0.000 0.000 0.587 23 L C 0.978 177.715 176.870 -0.222 0.000 1.235 23 L CA 0.871 55.605 54.840 -0.178 0.000 0.876 23 L CB -1.763 40.208 42.059 -0.148 0.000 1.431 23 L HN 1.637 nan 8.230 nan 0.000 0.840 24 S N -2.251 113.330 115.700 -0.199 0.000 3.533 24 S HA -0.230 4.240 4.470 0.000 0.000 0.347 24 S C 0.175 174.636 174.600 -0.231 0.000 1.101 24 S CA 1.320 59.414 58.200 -0.177 0.000 1.009 24 S CB -1.154 61.995 63.200 -0.085 0.000 0.916 24 S HN 1.076 nan 8.310 nan 0.000 0.496 25 S N -0.589 114.861 115.700 -0.417 0.000 2.929 25 S HA 0.835 5.305 4.470 0.000 0.000 0.311 25 S C -1.554 172.618 174.600 -0.713 0.000 1.213 25 S CA -0.441 57.525 58.200 -0.391 0.000 0.908 25 S CB 1.041 64.087 63.200 -0.256 0.000 1.287 25 S HN 0.808 nan 8.310 nan 0.000 0.594 26 H N -0.286 118.745 119.070 -0.065 0.000 3.037 26 H HA 0.751 5.307 4.556 0.000 0.000 0.355 26 H C -0.628 174.735 175.328 0.059 0.000 1.263 26 H CA -0.339 55.694 56.048 -0.025 0.000 1.129 26 H CB 1.307 31.070 29.762 0.001 0.000 1.861 26 H HN 0.742 nan 8.280 nan 0.000 0.546 27 I N -2.437 118.255 120.570 0.204 0.000 3.352 27 I HA 0.714 4.884 4.170 0.000 0.000 0.316 27 I C -1.135 175.079 176.117 0.162 0.000 1.214 27 I CA -1.060 60.371 61.300 0.219 0.000 0.934 27 I CB 2.482 40.651 38.000 0.282 0.000 1.310 27 I HN 0.415 nan 8.210 nan 0.000 0.475 28 S N 1.455 117.255 115.700 0.166 0.000 2.508 28 S HA 0.807 5.277 4.470 0.000 0.000 0.284 28 S C -0.301 174.281 174.600 -0.031 0.000 1.192 28 S CA -0.527 57.688 58.200 0.025 0.000 1.070 28 S CB 1.401 64.659 63.200 0.097 0.000 1.004 28 S HN 0.844 nan 8.310 nan 0.000 0.493 29 A N 2.739 125.368 122.820 -0.319 0.000 2.353 29 A HA 0.739 5.060 4.320 0.000 0.000 0.299 29 A C -1.166 176.082 177.584 -0.561 0.000 1.089 29 A CA -0.658 51.107 52.037 -0.453 0.000 0.736 29 A CB 0.289 18.982 19.000 -0.511 0.000 1.195 29 A HN 0.648 nan 8.150 nan 0.000 0.447 30 F N 3.166 122.972 119.950 -0.241 0.000 2.308 30 F HA 0.457 4.984 4.527 0.000 0.000 0.370 30 F C 0.030 175.697 175.800 -0.222 0.000 1.100 30 F CA -0.501 57.438 58.000 -0.102 0.000 1.108 30 F CB 0.976 40.023 39.000 0.078 0.000 1.293 30 F HN 0.349 nan 8.300 nan 0.000 0.478 31 L N 2.533 123.699 121.223 -0.095 0.000 2.307 31 L HA 0.629 4.970 4.340 0.000 0.000 0.282 31 L C 0.968 177.863 176.870 0.041 0.000 1.051 31 L CA -0.942 53.831 54.840 -0.111 0.000 0.804 31 L CB 1.315 43.219 42.059 -0.258 0.000 1.197 31 L HN 0.858 nan 8.230 nan 0.000 0.431 32 G N 3.540 112.386 108.800 0.076 0.000 2.333 32 G HA2 -0.257 3.704 3.960 0.000 0.000 0.296 32 G HA3 -0.257 3.704 3.960 0.000 0.000 0.296 32 G C -0.236 174.733 174.900 0.114 0.000 1.059 32 G CA -0.288 44.856 45.100 0.073 0.000 1.050 32 G HN 0.482 nan 8.290 nan 0.000 0.508 33 I N 1.524 122.100 120.570 0.010 0.000 2.395 33 I HA 0.273 4.443 4.170 0.000 0.000 0.289 33 I C -1.636 174.322 176.117 -0.264 0.000 1.023 33 I CA -2.415 58.732 61.300 -0.255 0.000 1.350 33 I CB 1.410 39.244 38.000 -0.275 0.000 1.409 33 I HN -0.000 nan 8.210 nan 0.000 0.507 34 P HA 0.091 nan 4.420 nan 0.000 0.280 34 P C -0.286 176.692 177.300 -0.536 0.000 1.244 34 P CA -0.046 62.620 63.100 -0.724 0.000 0.784 34 P CB 0.378 31.535 31.700 -0.906 0.000 0.913 35 F N 0.757 120.393 119.950 -0.524 0.000 2.746 35 F HA 0.770 5.297 4.527 0.000 0.000 0.320 35 F C 0.003 175.719 175.800 -0.141 0.000 1.097 35 F CA -0.884 56.885 58.000 -0.386 0.000 1.195 35 F CB 0.006 38.705 39.000 -0.502 0.000 1.056 35 F HN 0.341 nan 8.300 nan 0.000 0.562 36 A N -0.101 122.405 122.820 -0.524 0.000 2.593 36 A HA 0.639 4.960 4.320 0.000 0.000 0.290 36 A C -0.963 176.441 177.584 -0.300 0.000 1.126 36 A CA -0.757 51.094 52.037 -0.309 0.000 0.695 36 A CB 1.057 19.820 19.000 -0.395 0.000 1.290 36 A HN 0.039 nan 8.150 nan 0.000 0.414 37 E N 0.835 120.943 120.200 -0.153 0.000 2.366 37 E HA 0.346 4.696 4.350 0.000 0.000 0.266 37 E C -2.384 174.118 176.600 -0.164 0.000 1.051 37 E CA -1.556 54.777 56.400 -0.110 0.000 0.884 37 E CB 0.350 30.027 29.700 -0.037 0.000 1.006 37 E HN 0.233 nan 8.360 nan 0.000 0.417 38 P HA 0.038 nan 4.420 nan 0.000 0.262 38 P C -2.284 174.954 177.300 -0.104 0.000 1.199 38 P CA -0.846 62.174 63.100 -0.133 0.000 0.763 38 P CB -0.058 31.606 31.700 -0.061 0.000 0.790 39 P HA 0.003 nan 4.420 nan 0.000 0.228 39 P C -0.212 177.032 177.300 -0.093 0.000 1.748 39 P CA 0.122 63.166 63.100 -0.092 0.000 0.909 39 P CB -0.238 31.408 31.700 -0.091 0.000 1.882 40 V N -3.439 116.427 119.914 -0.079 0.000 3.093 40 V HA 0.904 5.024 4.120 0.000 0.000 0.320 40 V C 1.091 177.142 176.094 -0.072 0.000 1.093 40 V CA 0.134 62.387 62.300 -0.079 0.000 1.016 40 V CB 0.803 32.590 31.823 -0.061 0.000 1.096 40 V HN 0.514 nan 8.190 nan 0.000 0.452 41 G N 2.173 110.927 108.800 -0.076 0.000 2.634 41 G HA2 -0.413 3.548 3.960 0.000 0.000 0.318 41 G HA3 -0.413 3.548 3.960 0.000 0.000 0.318 41 G C 0.709 175.563 174.900 -0.076 0.000 1.207 41 G CA 1.187 46.247 45.100 -0.067 0.000 0.987 41 G HN 1.084 nan 8.290 nan 0.000 0.547 42 N N 0.764 119.437 118.700 -0.045 0.000 2.453 42 N HA 0.089 4.829 4.740 0.000 0.000 0.183 42 N C 2.282 177.776 175.510 -0.027 0.000 1.041 42 N CA 1.346 54.381 53.050 -0.025 0.000 0.900 42 N CB -0.156 38.332 38.487 0.002 0.000 0.961 42 N HN 0.513 nan 8.380 nan 0.000 0.443 43 M N -0.296 119.277 119.600 -0.045 0.000 2.595 43 M HA 0.050 4.531 4.480 0.000 0.000 0.248 43 M C 0.581 176.831 176.300 -0.083 0.000 1.119 43 M CA 0.063 55.337 55.300 -0.043 0.000 1.079 43 M CB -0.242 32.332 32.600 -0.044 0.000 1.472 43 M HN 0.035 nan 8.290 nan 0.000 0.501 44 R N 0.845 121.243 120.500 -0.170 0.000 2.522 44 R HA -0.041 4.300 4.340 0.000 0.000 0.284 44 R C -0.364 175.720 176.300 -0.360 0.000 1.032 44 R CA 0.590 56.455 56.100 -0.391 0.000 1.049 44 R CB 0.145 30.060 30.300 -0.641 0.000 0.956 44 R HN 0.209 nan 8.270 nan 0.000 0.422 45 F N -0.058 119.879 119.950 -0.021 0.000 2.517 45 F HA -0.286 4.242 4.527 0.000 0.000 0.434 45 F C 0.225 175.995 175.800 -0.049 0.000 0.564 45 F CA 0.856 58.819 58.000 -0.063 0.000 1.414 45 F CB -1.395 37.555 39.000 -0.083 0.000 2.009 45 F HN 0.625 nan 8.300 nan 0.000 0.274 46 R N 1.381 121.942 120.500 0.102 0.000 2.528 46 R HA 0.590 4.931 4.340 0.000 0.000 0.271 46 R C 0.583 176.903 176.300 0.034 0.000 1.056 46 R CA -1.036 55.102 56.100 0.063 0.000 1.117 46 R CB 0.735 31.060 30.300 0.042 0.000 1.085 46 R HN 0.089 nan 8.270 nan 0.000 0.530 47 R N 1.795 122.316 120.500 0.035 0.000 2.697 47 R HA 0.022 4.362 4.340 0.000 0.000 0.265 47 R C -1.904 174.415 176.300 0.032 0.000 1.009 47 R CA -0.904 55.217 56.100 0.035 0.000 1.099 47 R CB -0.272 30.056 30.300 0.046 0.000 0.965 47 R HN 0.417 nan 8.270 nan 0.000 0.428 48 P HA 0.105 nan 4.420 nan 0.000 0.274 48 P C -0.929 176.398 177.300 0.045 0.000 1.237 48 P CA -0.133 62.989 63.100 0.036 0.000 0.793 48 P CB 0.749 32.494 31.700 0.075 0.000 0.977 49 E N 1.315 121.532 120.200 0.028 0.000 2.238 49 E HA 0.473 4.823 4.350 0.000 0.000 0.267 49 E C -2.482 174.151 176.600 0.054 0.000 0.887 49 E CA -2.721 53.703 56.400 0.040 0.000 0.769 49 E CB 0.785 30.500 29.700 0.026 0.000 1.187 49 E HN 0.256 nan 8.360 nan 0.000 0.416 50 P HA -0.036 nan 4.420 nan 0.000 0.265 50 P C -1.159 176.202 177.300 0.101 0.000 1.187 50 P CA -0.091 63.082 63.100 0.122 0.000 0.766 50 P CB 0.378 32.150 31.700 0.121 0.000 0.820 51 K N 3.603 124.077 120.400 0.124 0.000 2.416 51 K HA 0.064 4.384 4.320 0.000 0.000 0.283 51 K C -0.215 176.489 176.600 0.173 0.000 1.037 51 K CA 0.285 56.639 56.287 0.112 0.000 0.995 51 K CB 0.026 32.586 32.500 0.100 0.000 0.938 51 K HN 0.212 nan 8.250 nan 0.000 0.475 52 K N 5.852 126.345 120.400 0.156 0.000 2.401 52 K HA 0.118 4.438 4.320 0.000 0.000 0.278 52 K C -2.193 174.544 176.600 0.227 0.000 1.018 52 K CA -1.594 54.785 56.287 0.153 0.000 0.981 52 K CB 0.314 32.892 32.500 0.130 0.000 0.933 52 K HN 0.535 nan 8.250 nan 0.000 0.477 53 P HA -0.076 nan 4.420 nan 0.000 0.266 53 P C -1.208 176.166 177.300 0.124 0.000 1.195 53 P CA 0.052 63.129 63.100 -0.038 0.000 0.768 53 P CB 0.261 31.885 31.700 -0.126 0.000 0.838 54 W N 1.401 122.782 121.300 0.135 0.000 2.671 54 W HA 0.712 5.372 4.660 0.000 0.000 0.360 54 W C -0.615 175.983 176.519 0.131 0.000 1.128 54 W CA -0.819 56.622 57.345 0.161 0.000 1.184 54 W CB 0.125 29.750 29.460 0.276 0.000 1.415 54 W HN 0.349 nan 8.180 nan 0.000 0.604 55 S N 0.829 116.705 115.700 0.293 0.000 2.718 55 S HA 0.881 5.351 4.470 0.000 0.000 0.300 55 S C 0.382 175.164 174.600 0.304 0.000 1.117 55 S CA -0.206 58.092 58.200 0.164 0.000 1.002 55 S CB 0.860 64.126 63.200 0.109 0.000 1.092 55 S HN 2.026 nan 8.310 nan 0.000 0.542 56 G N -0.618 108.304 108.800 0.202 0.000 2.796 56 G HA2 -0.109 3.851 3.960 0.000 0.000 0.226 56 G HA3 -0.109 3.851 3.960 0.000 0.000 0.226 56 G C -0.752 174.350 174.900 0.336 0.000 1.381 56 G CA -0.421 44.809 45.100 0.216 0.000 0.867 56 G HN 1.543 nan 8.290 nan 0.000 0.552 57 V N 1.197 121.267 119.914 0.260 0.000 2.364 57 V HA 0.396 4.517 4.120 0.000 0.000 0.272 57 V C 0.622 176.883 176.094 0.278 0.000 1.036 57 V CA -0.490 61.995 62.300 0.307 0.000 0.880 57 V CB 1.496 33.431 31.823 0.187 0.000 0.991 57 V HN 0.675 nan 8.190 nan 0.000 0.460 58 W N 5.504 126.951 121.300 0.244 0.000 2.253 58 W HA 0.161 4.821 4.660 0.000 0.000 0.322 58 W C 0.283 176.817 176.519 0.025 0.000 1.342 58 W CA -0.324 56.998 57.345 -0.038 0.000 1.218 58 W CB 0.672 29.964 29.460 -0.279 0.000 1.205 58 W HN 0.623 nan 8.180 nan 0.000 0.551 59 N N 4.725 123.214 118.700 -0.351 0.000 2.415 59 N HA 0.220 4.960 4.740 0.000 0.000 0.250 59 N C -0.424 175.118 175.510 0.054 0.000 1.127 59 N CA 0.150 53.116 53.050 -0.139 0.000 0.945 59 N CB 0.794 39.135 38.487 -0.243 0.000 1.196 59 N HN 0.365 nan 8.380 nan 0.000 0.499 60 A N 2.728 125.688 122.820 0.233 0.000 3.106 60 A HA 0.196 4.517 4.320 0.000 0.000 0.306 60 A C 1.057 178.667 177.584 0.044 0.000 1.192 60 A CA -0.359 51.830 52.037 0.252 0.000 0.994 60 A CB -0.498 18.739 19.000 0.395 0.000 1.107 60 A HN 0.625 nan 8.150 nan 0.000 0.585 61 S N -0.906 114.776 115.700 -0.029 0.000 2.523 61 S HA 0.176 4.646 4.470 0.000 0.000 0.217 61 S C 0.683 175.197 174.600 -0.144 0.000 0.996 61 S CA 0.658 58.794 58.200 -0.107 0.000 0.921 61 S CB -0.180 62.964 63.200 -0.094 0.000 0.829 61 S HN 0.825 nan 8.310 nan 0.000 0.495 62 T N -0.968 113.515 114.554 -0.117 0.000 2.903 62 T HA 0.624 4.974 4.350 0.000 0.000 0.299 62 T C -0.908 173.753 174.700 -0.064 0.000 1.093 62 T CA -0.735 61.288 62.100 -0.129 0.000 1.002 62 T CB 0.673 69.491 68.868 -0.084 0.000 1.127 62 T HN 0.057 nan 8.240 nan 0.000 0.488 63 Y N 2.896 123.164 120.300 -0.054 0.000 2.683 63 Y HA 0.312 4.862 4.550 0.000 0.000 0.340 63 Y C -1.352 174.489 175.900 -0.099 0.000 1.245 63 Y CA -1.212 56.858 58.100 -0.049 0.000 1.485 63 Y CB 0.083 38.535 38.460 -0.012 0.000 1.328 63 Y HN 0.548 nan 8.280 nan 0.000 0.603 64 P HA 0.131 nan 4.420 nan 0.000 0.284 64 P C -0.694 176.545 177.300 -0.101 0.000 1.292 64 P CA -0.570 62.425 63.100 -0.176 0.000 0.800 64 P CB 1.027 32.528 31.700 -0.331 0.000 1.188 65 N N 0.158 118.777 118.700 -0.136 0.000 2.399 65 N HA 0.115 4.855 4.740 0.000 0.000 0.250 65 N C 0.036 175.524 175.510 -0.038 0.000 1.272 65 N CA 0.196 53.204 53.050 -0.070 0.000 0.928 65 N CB -0.148 38.307 38.487 -0.053 0.000 1.158 65 N HN 0.421 nan 8.380 nan 0.000 0.463 66 N N -0.919 117.747 118.700 -0.057 0.000 2.472 66 N HA 0.321 5.061 4.740 0.000 0.000 0.289 66 N C -0.468 174.998 175.510 -0.074 0.000 1.156 66 N CA -0.674 52.334 53.050 -0.070 0.000 0.940 66 N CB 1.105 39.525 38.487 -0.111 0.000 1.200 66 N HN 0.400 nan 8.380 nan 0.000 0.511 67 c N 1.059 119.612 118.600 -0.079 0.000 2.656 67 c HA 0.069 4.639 4.570 0.000 0.000 0.391 67 c C 0.546 174.537 174.090 -0.164 0.000 1.300 67 c CA -0.558 55.701 56.329 -0.117 0.000 2.302 67 c CB 0.017 42.480 42.510 -0.079 0.000 2.655 67 c HN 0.527 nan 8.230 nan 0.000 0.656 68 Q N 2.453 122.071 119.800 -0.304 0.000 2.274 68 Q HA 0.222 4.562 4.340 0.000 0.000 0.280 68 Q C -0.090 175.839 176.000 -0.119 0.000 1.047 68 Q CA 0.923 56.529 55.803 -0.330 0.000 0.907 68 Q CB 0.486 28.759 28.738 -0.776 0.000 1.171 68 Q HN 0.873 nan 8.270 nan 0.000 0.381 69 Q N 1.440 121.260 119.800 0.033 0.000 2.575 69 Q HA 0.297 4.637 4.340 0.000 0.000 0.290 69 Q C -1.254 174.905 176.000 0.265 0.000 0.963 69 Q CA -1.020 54.898 55.803 0.192 0.000 0.783 69 Q CB 0.745 29.556 28.738 0.122 0.000 1.467 69 Q HN 0.472 nan 8.270 nan 0.000 0.402 70 Y N 1.062 121.547 120.300 0.307 0.000 2.702 70 Y HA 0.319 4.869 4.550 0.000 0.000 0.336 70 Y C -1.051 175.023 175.900 0.289 0.000 1.235 70 Y CA 0.453 58.773 58.100 0.367 0.000 1.492 70 Y CB 0.832 39.649 38.460 0.596 0.000 1.308 70 Y HN 0.444 nan 8.280 nan 0.000 0.589 71 V N 6.598 126.232 119.914 -0.467 0.000 2.448 71 V HA 0.134 4.254 4.120 0.000 0.000 0.295 71 V C -0.767 175.040 176.094 -0.478 0.000 1.025 71 V CA -1.029 61.098 62.300 -0.288 0.000 0.859 71 V CB 1.552 33.286 31.823 -0.148 0.000 0.988 71 V HN 0.787 nan 8.190 nan 0.000 0.431 72 D N 3.660 124.022 120.400 -0.062 0.000 2.339 72 D HA 0.162 4.802 4.640 0.000 0.000 0.256 72 D C 0.580 176.951 176.300 0.120 0.000 1.214 72 D CA 0.246 54.333 54.000 0.145 0.000 0.877 72 D CB 0.891 41.931 40.800 0.400 0.000 1.111 72 D HN 0.665 nan 8.370 nan 0.000 0.478 73 E N 2.739 122.983 120.200 0.073 0.000 2.651 73 E HA -0.004 4.347 4.350 0.000 0.000 0.208 73 E C 1.002 177.608 176.600 0.011 0.000 0.997 73 E CA -0.280 56.150 56.400 0.050 0.000 1.020 73 E CB 0.663 30.362 29.700 -0.001 0.000 1.052 73 E HN 0.482 nan 8.360 nan 0.000 0.465 74 Q N -0.274 119.522 119.800 -0.006 0.000 2.084 74 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 74 Q C -0.070 175.578 176.000 -0.587 0.000 0.978 74 Q CA 1.194 56.767 55.803 -0.383 0.000 0.844 74 Q CB 0.207 28.569 28.738 -0.627 0.000 0.898 74 Q HN 0.209 nan 8.270 nan 0.000 0.426 75 F N 0.741 120.776 119.950 0.141 0.000 2.564 75 F HA 0.362 4.889 4.527 0.000 0.000 0.361 75 F C -2.122 173.768 175.800 0.151 0.000 1.161 75 F CA -2.912 55.146 58.000 0.098 0.000 1.198 75 F CB 1.096 40.141 39.000 0.074 0.000 1.424 75 F HN -0.135 nan 8.300 nan 0.000 0.517 76 P HA 0.192 nan 4.420 nan 0.000 0.263 76 P C 1.005 178.397 177.300 0.153 0.000 1.195 76 P CA 0.958 64.147 63.100 0.148 0.000 0.762 76 P CB 0.850 32.599 31.700 0.081 0.000 0.799 77 G N 2.659 111.533 108.800 0.122 0.000 2.267 77 G HA2 -0.306 3.654 3.960 0.000 0.000 0.257 77 G HA3 -0.306 3.654 3.960 0.000 0.000 0.257 77 G C 0.038 174.999 174.900 0.103 0.000 0.998 77 G CA -0.370 44.780 45.100 0.083 0.000 0.620 77 G HN 0.537 nan 8.290 nan 0.000 0.529 78 F N 3.402 123.350 119.950 -0.003 0.000 2.502 78 F HA 0.488 5.015 4.527 0.000 0.000 0.371 78 F C 1.733 177.475 175.800 -0.097 0.000 1.083 78 F CA -0.005 57.943 58.000 -0.087 0.000 1.174 78 F CB 1.022 39.961 39.000 -0.102 0.000 1.096 78 F HN 0.265 nan 8.300 nan 0.000 0.545 79 S N 3.300 118.569 115.700 -0.718 0.000 2.419 79 S HA -0.107 4.363 4.470 0.000 0.000 0.233 79 S C 2.179 176.348 174.600 -0.719 0.000 1.016 79 S CA 0.925 58.759 58.200 -0.610 0.000 0.974 79 S CB -1.076 61.829 63.200 -0.492 0.000 0.786 79 S HN 0.796 nan 8.310 nan 0.000 0.492 80 G N 1.688 109.593 108.800 -1.492 0.000 2.422 80 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 80 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 80 G C 1.750 176.865 174.900 0.359 0.000 1.146 80 G CA 1.231 45.846 45.100 -0.809 0.000 0.769 80 G HN 0.781 nan 8.290 nan 0.000 0.547 81 S N 0.015 115.955 115.700 0.400 0.000 2.427 81 S HA 0.116 4.586 4.470 0.000 0.000 0.224 81 S C 1.904 176.800 174.600 0.495 0.000 1.047 81 S CA 0.974 59.708 58.200 0.891 0.000 0.953 81 S CB -0.031 63.829 63.200 1.099 0.000 0.824 81 S HN 0.308 nan 8.310 nan 0.000 0.502 82 E N 1.972 122.301 120.200 0.214 0.000 2.265 82 E HA -0.057 4.293 4.350 0.000 0.000 0.196 82 E C 2.050 178.613 176.600 -0.062 0.000 0.996 82 E CA 1.266 57.716 56.400 0.083 0.000 0.832 82 E CB -0.491 29.222 29.700 0.021 0.000 0.756 82 E HN 0.841 nan 8.360 nan 0.000 0.491 83 M N -1.979 117.485 119.600 -0.228 0.000 2.632 83 M HA -0.061 4.419 4.480 0.000 0.000 0.256 83 M C 0.780 176.707 176.300 -0.623 0.000 1.080 83 M CA 1.234 56.239 55.300 -0.493 0.000 1.084 83 M CB -0.219 31.960 32.600 -0.702 0.000 1.439 83 M HN 0.045 nan 8.290 nan 0.000 0.509 84 W N 0.693 121.951 121.300 -0.071 0.000 3.107 84 W HA 0.287 4.948 4.660 0.000 0.000 0.293 84 W C 0.360 176.805 176.519 -0.124 0.000 1.239 84 W CA -0.958 56.310 57.345 -0.128 0.000 1.653 84 W CB 0.014 29.428 29.460 -0.077 0.000 1.068 84 W HN 0.103 nan 8.180 nan 0.000 0.615 85 N N 1.554 120.309 118.700 0.092 0.000 2.467 85 N HA 0.134 4.874 4.740 0.000 0.000 0.262 85 N C -2.457 173.022 175.510 -0.052 0.000 1.234 85 N CA -1.462 51.609 53.050 0.034 0.000 0.952 85 N CB -0.162 38.349 38.487 0.041 0.000 1.158 85 N HN -0.346 nan 8.380 nan 0.000 0.463 86 P HA 0.042 nan 4.420 nan 0.000 0.265 86 P C 0.095 177.340 177.300 -0.092 0.000 1.193 86 P CA 0.093 63.134 63.100 -0.097 0.000 0.765 86 P CB 0.276 31.927 31.700 -0.082 0.000 0.823 87 N N 2.211 120.842 118.700 -0.114 0.000 2.275 87 N HA 0.107 4.848 4.740 0.000 0.000 0.236 87 N C 0.050 175.518 175.510 -0.071 0.000 1.154 87 N CA -0.118 52.876 53.050 -0.093 0.000 0.866 87 N CB 0.372 38.791 38.487 -0.113 0.000 1.093 87 N HN 0.149 nan 8.380 nan 0.000 0.515 88 R N -0.107 120.349 120.500 -0.074 0.000 2.855 88 R HA 0.339 4.679 4.340 0.000 0.000 0.266 88 R C -0.633 175.633 176.300 -0.057 0.000 1.034 88 R CA -0.731 55.335 56.100 -0.056 0.000 0.944 88 R CB 1.120 31.383 30.300 -0.063 0.000 1.219 88 R HN 0.142 nan 8.270 nan 0.000 0.474 89 E N 0.918 121.088 120.200 -0.050 0.000 2.418 89 E HA 0.056 4.406 4.350 0.000 0.000 0.261 89 E C -0.375 176.189 176.600 -0.060 0.000 1.070 89 E CA 0.440 56.810 56.400 -0.050 0.000 0.931 89 E CB 0.562 30.233 29.700 -0.047 0.000 0.954 89 E HN 0.272 nan 8.360 nan 0.000 0.439 90 M N 2.150 121.713 119.600 -0.062 0.000 2.318 90 M HA 0.334 4.814 4.480 0.000 0.000 0.347 90 M C -0.569 175.679 176.300 -0.087 0.000 1.175 90 M CA -0.316 54.936 55.300 -0.079 0.000 1.075 90 M CB 1.696 34.247 32.600 -0.081 0.000 1.614 90 M HN 0.427 nan 8.290 nan 0.000 0.456 91 S N 0.958 116.596 115.700 -0.105 0.000 2.537 91 S HA 0.259 4.729 4.470 0.000 0.000 0.271 91 S C 0.022 174.533 174.600 -0.148 0.000 1.148 91 S CA -0.684 57.453 58.200 -0.106 0.000 0.868 91 S CB 1.496 64.664 63.200 -0.055 0.000 1.115 91 S HN 0.839 nan 8.310 nan 0.000 0.461 92 E N 0.942 121.035 120.200 -0.179 0.000 2.347 92 E HA -0.070 4.281 4.350 0.000 0.000 0.196 92 E C -0.312 176.216 176.600 -0.119 0.000 1.008 92 E CA 0.539 56.810 56.400 -0.215 0.000 0.852 92 E CB 0.086 29.663 29.700 -0.205 0.000 0.783 92 E HN 0.547 nan 8.360 nan 0.000 0.505 93 D N 0.353 120.720 120.400 -0.056 0.000 2.483 93 D HA -0.004 4.637 4.640 0.000 0.000 0.220 93 D C 0.097 176.475 176.300 0.129 0.000 1.173 93 D CA -0.329 53.680 54.000 0.015 0.000 0.964 93 D CB -0.099 40.737 40.800 0.059 0.000 1.046 93 D HN 0.129 nan 8.370 nan 0.000 0.517 94 c N 2.147 120.781 118.600 0.056 0.000 3.772 94 c HA 0.379 4.949 4.570 0.000 0.000 0.293 94 c C 0.710 174.856 174.090 0.094 0.000 1.659 94 c CA -0.680 55.748 56.329 0.165 0.000 1.810 94 c CB -1.268 41.264 42.510 0.037 0.000 3.059 94 c HN 0.423 nan 8.230 nan 0.000 0.617 95 L N 2.665 123.683 121.223 -0.341 0.000 2.415 95 L HA 0.370 4.710 4.340 0.000 0.000 0.269 95 L C -0.821 175.303 176.870 -1.244 0.000 1.244 95 L CA 0.652 55.048 54.840 -0.740 0.000 1.113 95 L CB -0.711 40.781 42.059 -0.946 0.000 1.352 95 L HN 0.401 nan 8.230 nan 0.000 0.433 96 Y N 2.008 122.168 120.300 -0.234 0.000 2.638 96 Y HA 0.686 5.237 4.550 0.000 0.000 0.339 96 Y C -0.137 175.917 175.900 0.256 0.000 1.084 96 Y CA -1.267 56.790 58.100 -0.072 0.000 1.068 96 Y CB 1.844 40.263 38.460 -0.068 0.000 1.294 96 Y HN 0.191 nan 8.280 nan 0.000 0.480 97 L N -0.299 121.092 121.223 0.281 0.000 2.376 97 L HA 0.784 5.125 4.340 0.000 0.000 0.258 97 L C -1.414 175.487 176.870 0.053 0.000 1.013 97 L CA -1.058 53.866 54.840 0.140 0.000 0.822 97 L CB 2.009 44.030 42.059 -0.063 0.000 1.388 97 L HN 0.496 nan 8.230 nan 0.000 0.413 98 N N 1.589 120.335 118.700 0.076 0.000 2.240 98 N HA 0.754 5.494 4.740 0.000 0.000 0.302 98 N C -1.321 174.139 175.510 -0.082 0.000 1.106 98 N CA -0.323 52.698 53.050 -0.048 0.000 0.778 98 N CB 2.790 41.248 38.487 -0.049 0.000 1.431 98 N HN 0.671 nan 8.380 nan 0.000 0.479 99 I N -0.001 120.435 120.570 -0.224 0.000 2.569 99 I HA 0.385 4.555 4.170 0.000 0.000 0.290 99 I C -0.896 175.204 176.117 -0.028 0.000 1.088 99 I CA -0.695 60.580 61.300 -0.041 0.000 1.047 99 I CB 2.329 40.222 38.000 -0.178 0.000 1.237 99 I HN 0.256 nan 8.210 nan 0.000 0.421 100 W N 5.546 126.984 121.300 0.229 0.000 2.475 100 W HA 0.600 5.260 4.660 0.000 0.000 0.317 100 W C -0.958 175.711 176.519 0.250 0.000 1.046 100 W CA -0.709 56.772 57.345 0.227 0.000 1.215 100 W CB 2.306 31.865 29.460 0.164 0.000 1.335 100 W HN 0.106 nan 8.180 nan 0.000 0.471 101 V N 4.611 124.810 119.914 0.475 0.000 2.540 101 V HA 0.286 4.407 4.120 0.000 0.000 0.302 101 V C -2.055 174.241 176.094 0.338 0.000 1.035 101 V CA -2.502 60.042 62.300 0.407 0.000 0.873 101 V CB 1.839 33.962 31.823 0.500 0.000 0.992 101 V HN 0.256 nan 8.190 nan 0.000 0.428 102 P HA 0.084 nan 4.420 nan 0.000 0.267 102 P C -0.484 176.945 177.300 0.216 0.000 1.200 102 P CA 0.330 63.567 63.100 0.228 0.000 0.772 102 P CB 0.537 32.331 31.700 0.157 0.000 0.855 103 S N 2.167 117.993 115.700 0.210 0.000 2.552 103 S HA 0.601 5.072 4.470 0.000 0.000 0.314 103 S C -2.518 172.172 174.600 0.150 0.000 1.099 103 S CA -1.529 56.777 58.200 0.177 0.000 1.070 103 S CB -0.139 63.166 63.200 0.175 0.000 0.998 103 S HN 0.161 nan 8.310 nan 0.000 0.474 104 P HA 0.289 nan 4.420 nan 0.000 0.274 104 P C -0.660 176.713 177.300 0.122 0.000 1.237 104 P CA -0.671 62.495 63.100 0.109 0.000 0.793 104 P CB 0.379 32.129 31.700 0.083 0.000 0.977 105 R N 2.851 123.430 120.500 0.132 0.000 2.458 105 R HA 0.092 4.432 4.340 0.000 0.000 0.303 105 R C -1.779 174.586 176.300 0.109 0.000 1.013 105 R CA -0.976 55.212 56.100 0.146 0.000 1.026 105 R CB -0.286 30.106 30.300 0.153 0.000 0.948 105 R HN 0.418 nan 8.270 nan 0.000 0.417 106 P HA 0.103 nan 4.420 nan 0.000 0.275 106 P C -1.146 176.193 177.300 0.066 0.000 1.266 106 P CA -0.240 62.907 63.100 0.078 0.000 0.793 106 P CB 0.801 32.547 31.700 0.077 0.000 1.074 107 K N 0.105 120.533 120.400 0.046 0.000 2.213 107 K HA 0.192 4.513 4.320 0.000 0.000 0.270 107 K C -0.023 176.592 176.600 0.025 0.000 1.002 107 K CA -0.375 55.931 56.287 0.032 0.000 0.868 107 K CB 0.638 33.152 32.500 0.023 0.000 1.093 107 K HN 0.530 nan 8.250 nan 0.000 0.454 108 S N 2.078 117.787 115.700 0.016 0.000 3.231 108 S HA -0.182 4.288 4.470 0.000 0.000 0.334 108 S C -0.162 174.446 174.600 0.013 0.000 0.910 108 S CA 0.726 58.928 58.200 0.003 0.000 1.342 108 S CB -0.888 62.304 63.200 -0.012 0.000 0.950 108 S HN 0.690 nan 8.310 nan 0.000 0.526 109 T N 3.070 117.642 114.554 0.030 0.000 2.952 109 T HA 0.572 4.922 4.350 0.000 0.000 0.286 109 T C 0.383 175.103 174.700 0.033 0.000 1.024 109 T CA 0.095 62.215 62.100 0.034 0.000 1.029 109 T CB 1.225 70.125 68.868 0.052 0.000 1.094 109 T HN 0.543 nan 8.240 nan 0.000 0.515 110 T N 2.406 116.975 114.554 0.024 0.000 2.946 110 T HA 0.275 4.625 4.350 0.000 0.000 0.312 110 T C -0.282 174.446 174.700 0.047 0.000 1.066 110 T CA -0.140 61.971 62.100 0.018 0.000 1.138 110 T CB 0.215 69.082 68.868 -0.003 0.000 1.014 110 T HN 0.401 nan 8.240 nan 0.000 0.544 111 V N 4.884 124.832 119.914 0.056 0.000 2.495 111 V HA 0.479 4.599 4.120 0.000 0.000 0.298 111 V C -0.054 176.105 176.094 0.108 0.000 1.031 111 V CA -0.743 61.614 62.300 0.095 0.000 0.871 111 V CB 1.690 33.575 31.823 0.102 0.000 0.988 111 V HN 0.827 nan 8.190 nan 0.000 0.432 112 M N 4.695 124.385 119.600 0.149 0.000 2.243 112 M HA 0.584 5.064 4.480 0.000 0.000 0.324 112 M C -1.231 175.331 176.300 0.436 0.000 1.031 112 M CA -0.688 54.726 55.300 0.189 0.000 0.949 112 M CB 2.199 34.774 32.600 -0.042 0.000 1.615 112 M HN 0.348 nan 8.290 nan 0.000 0.430 113 V N 3.063 123.285 119.914 0.513 0.000 2.357 113 V HA 0.339 4.460 4.120 0.000 0.000 0.284 113 V C -0.808 175.556 176.094 0.449 0.000 1.018 113 V CA -0.663 61.895 62.300 0.429 0.000 0.841 113 V CB 1.553 33.493 31.823 0.195 0.000 0.991 113 V HN 0.859 nan 8.190 nan 0.000 0.437 114 W N 6.855 128.192 121.300 0.062 0.000 2.316 114 W HA 0.622 5.282 4.660 0.000 0.000 0.311 114 W C -1.258 175.097 176.519 -0.273 0.000 1.217 114 W CA -0.708 56.376 57.345 -0.435 0.000 1.199 114 W CB 1.188 30.452 29.460 -0.327 0.000 1.202 114 W HN 0.439 nan 8.180 nan 0.000 0.528 115 I N 9.162 129.025 120.570 -1.178 0.000 2.420 115 I HA 0.055 4.225 4.170 0.000 0.000 0.282 115 I C -0.249 175.076 176.117 -1.320 0.000 1.019 115 I CA -1.108 59.616 61.300 -0.961 0.000 1.130 115 I CB 0.656 38.266 38.000 -0.650 0.000 1.262 115 I HN 0.294 nan 8.210 nan 0.000 0.454 116 Y N 4.644 124.479 120.300 -0.774 0.000 2.426 116 Y HA 0.629 5.179 4.550 0.000 0.000 0.344 116 Y C 0.759 176.492 175.900 -0.278 0.000 1.256 116 Y CA -0.805 56.973 58.100 -0.537 0.000 1.451 116 Y CB -0.125 38.263 38.460 -0.119 0.000 1.342 116 Y HN 0.516 nan 8.280 nan 0.000 0.600 117 G N -0.849 107.992 108.800 0.069 0.000 2.606 117 G HA2 0.496 4.456 3.960 0.000 0.000 0.262 117 G HA3 0.496 4.456 3.960 0.000 0.000 0.262 117 G C 0.291 175.133 174.900 -0.095 0.000 1.394 117 G CA -0.933 44.119 45.100 -0.080 0.000 1.044 117 G HN 1.731 nan 8.290 nan 0.000 0.553 118 G N -2.836 105.751 108.800 -0.354 0.000 2.165 118 G HA2 0.398 4.358 3.960 0.000 0.000 0.144 118 G HA3 0.398 4.358 3.960 0.000 0.000 0.144 118 G C 1.088 175.430 174.900 -0.929 0.000 1.049 118 G CA 0.724 45.474 45.100 -0.584 0.000 0.741 118 G HN 2.322 nan 8.290 nan 0.000 0.493 119 G N -0.551 107.731 108.800 -0.864 0.000 2.212 119 G HA2 -0.137 3.823 3.960 0.000 0.000 0.267 119 G HA3 -0.137 3.823 3.960 0.000 0.000 0.267 119 G C 0.929 175.585 174.900 -0.406 0.000 1.002 119 G CA 0.919 45.354 45.100 -1.108 0.000 0.729 119 G HN 1.775 nan 8.290 nan 0.000 0.517 120 F N -3.560 116.283 119.950 -0.178 0.000 2.794 120 F HA -0.304 4.223 4.527 0.000 0.000 0.335 120 F C 1.444 177.332 175.800 0.147 0.000 0.653 120 F CA 2.104 60.114 58.000 0.017 0.000 1.266 120 F CB -2.053 36.824 39.000 -0.205 0.000 1.666 120 F HN 0.889 nan 8.300 nan 0.000 0.314 121 Y N -0.983 119.372 120.300 0.093 0.000 2.453 121 Y HA 0.666 5.216 4.550 0.000 0.000 0.247 121 Y C 0.634 176.613 175.900 0.132 0.000 1.124 121 Y CA 0.285 58.460 58.100 0.126 0.000 1.243 121 Y CB 0.035 38.480 38.460 -0.025 0.000 1.213 121 Y HN 0.107 nan 8.280 nan 0.000 0.523 122 S N -0.747 114.702 115.700 -0.419 0.000 2.727 122 S HA 0.864 5.334 4.470 0.000 0.000 0.278 122 S C -0.243 174.154 174.600 -0.338 0.000 1.186 122 S CA -0.504 57.501 58.200 -0.326 0.000 0.836 122 S CB 1.374 64.301 63.200 -0.455 0.000 1.186 122 S HN 1.355 nan 8.310 nan 0.000 0.499 123 G N -0.213 108.366 108.800 -0.368 0.000 2.528 123 G HA2 0.412 4.373 3.960 0.000 0.000 0.681 123 G HA3 0.412 4.373 3.960 0.000 0.000 0.681 123 G C -0.924 173.311 174.900 -1.109 0.000 1.340 123 G CA -0.323 44.401 45.100 -0.628 0.000 0.855 123 G HN 1.358 nan 8.290 nan 0.000 0.649 124 S N -0.717 114.395 115.700 -0.979 0.000 2.595 124 S HA 0.748 5.218 4.470 0.000 0.000 0.281 124 S C 1.060 175.509 174.600 -0.251 0.000 1.117 124 S CA 0.055 57.842 58.200 -0.688 0.000 0.873 124 S CB 1.855 64.870 63.200 -0.309 0.000 1.108 124 S HN 1.946 nan 8.310 nan 0.000 0.477 125 S N -0.283 115.467 115.700 0.085 0.000 2.528 125 S HA -0.045 4.425 4.470 0.000 0.000 0.219 125 S C 1.359 176.041 174.600 0.136 0.000 0.985 125 S CA 0.808 59.237 58.200 0.381 0.000 0.914 125 S CB -0.610 62.831 63.200 0.402 0.000 0.776 125 S HN 0.840 nan 8.310 nan 0.000 0.526 126 T N 0.217 114.654 114.554 -0.195 0.000 3.086 126 T HA 0.399 4.750 4.350 0.000 0.000 0.250 126 T C 0.536 174.954 174.700 -0.470 0.000 1.074 126 T CA -0.534 61.140 62.100 -0.711 0.000 0.988 126 T CB -0.613 67.736 68.868 -0.866 0.000 0.988 126 T HN 0.321 nan 8.240 nan 0.000 0.530 127 L N 1.977 123.014 121.223 -0.309 0.000 2.506 127 L HA 0.146 4.486 4.340 0.000 0.000 0.281 127 L C 1.378 178.022 176.870 -0.378 0.000 1.228 127 L CA -0.443 54.144 54.840 -0.422 0.000 0.850 127 L CB 0.263 41.885 42.059 -0.728 0.000 1.110 127 L HN 0.047 nan 8.230 nan 0.000 0.496 128 D N 1.054 121.257 120.400 -0.329 0.000 2.133 128 D HA -0.161 4.480 4.640 0.000 0.000 0.195 128 D C 1.969 178.086 176.300 -0.305 0.000 0.997 128 D CA 1.494 55.359 54.000 -0.225 0.000 0.840 128 D CB -0.110 40.564 40.800 -0.211 0.000 0.947 128 D HN 0.535 nan 8.370 nan 0.000 0.452 129 V N -1.517 118.077 119.914 -0.533 0.000 3.078 129 V HA -0.150 3.970 4.120 0.000 0.000 0.265 129 V C 1.081 176.726 176.094 -0.748 0.000 1.122 129 V CA 1.069 63.024 62.300 -0.574 0.000 1.141 129 V CB -1.088 30.334 31.823 -0.669 0.000 0.735 129 V HN 0.103 nan 8.190 nan 0.000 0.498 130 Y N 0.133 119.979 120.300 -0.756 0.000 2.524 130 Y HA 0.427 4.977 4.550 0.000 0.000 0.266 130 Y C 1.128 176.650 175.900 -0.629 0.000 1.180 130 Y CA -1.732 55.636 58.100 -1.220 0.000 1.244 130 Y CB -1.004 37.073 38.460 -0.638 0.000 1.125 130 Y HN 0.276 nan 8.280 nan 0.000 0.524 131 N N 1.536 120.106 118.700 -0.217 0.000 2.429 131 N HA -0.037 4.703 4.740 0.000 0.000 0.271 131 N C 1.336 176.575 175.510 -0.452 0.000 1.272 131 N CA 0.669 53.613 53.050 -0.176 0.000 0.921 131 N CB 1.108 39.563 38.487 -0.053 0.000 1.128 131 N HN 0.475 nan 8.380 nan 0.000 0.481 132 G N 3.398 111.362 108.800 -1.393 0.000 2.848 132 G HA2 -0.195 3.765 3.960 0.000 0.000 0.208 132 G HA3 -0.195 3.765 3.960 0.000 0.000 0.208 132 G C 1.426 175.648 174.900 -1.131 0.000 1.152 132 G CA 0.421 44.784 45.100 -1.230 0.000 0.789 132 G HN 0.764 nan 8.290 nan 0.000 0.531 133 K N -0.352 119.225 120.400 -1.372 0.000 2.097 133 K HA -0.132 4.188 4.320 0.000 0.000 0.206 133 K C 1.778 178.164 176.600 -0.358 0.000 1.049 133 K CA 1.153 57.008 56.287 -0.720 0.000 0.933 133 K CB -0.544 31.620 32.500 -0.560 0.000 0.717 133 K HN 0.407 nan 8.250 nan 0.000 0.442 134 Y N 0.998 121.220 120.300 -0.130 0.000 2.220 134 Y HA -0.116 4.434 4.550 0.000 0.000 0.291 134 Y C 2.404 178.312 175.900 0.012 0.000 1.129 134 Y CA 0.450 58.532 58.100 -0.029 0.000 1.161 134 Y CB -0.308 38.108 38.460 -0.073 0.000 0.997 134 Y HN 0.026 nan 8.280 nan 0.000 0.522 135 L N 0.528 121.796 121.223 0.076 0.000 2.044 135 L HA -0.024 4.316 4.340 0.000 0.000 0.205 135 L C 2.376 179.265 176.870 0.031 0.000 1.075 135 L CA 1.859 56.696 54.840 -0.005 0.000 0.747 135 L CB -1.113 40.849 42.059 -0.162 0.000 0.903 135 L HN 0.126 nan 8.230 nan 0.000 0.435 136 A N -1.210 121.636 122.820 0.043 0.000 1.908 136 A HA -0.291 4.030 4.320 0.000 0.000 0.218 136 A C 2.313 179.983 177.584 0.144 0.000 1.181 136 A CA 2.005 54.114 52.037 0.121 0.000 0.627 136 A CB -1.218 17.909 19.000 0.211 0.000 0.818 136 A HN 0.669 nan 8.150 nan 0.000 0.445 137 Y N 0.892 121.219 120.300 0.045 0.000 2.109 137 Y HA -0.168 4.382 4.550 0.000 0.000 0.285 137 Y C 2.709 178.638 175.900 0.047 0.000 1.131 137 Y CA 2.508 60.641 58.100 0.054 0.000 1.121 137 Y CB -0.724 37.758 38.460 0.037 0.000 0.987 137 Y HN 0.283 nan 8.280 nan 0.000 0.495 138 T N 0.608 115.187 114.554 0.043 0.000 2.684 138 T HA -0.171 4.179 4.350 0.000 0.000 0.267 138 T C 1.380 176.018 174.700 -0.104 0.000 1.036 138 T CA 1.815 63.870 62.100 -0.075 0.000 1.148 138 T CB -0.217 68.698 68.868 0.079 0.000 0.863 138 T HN 0.333 nan 8.240 nan 0.000 0.436 139 E N 0.561 120.749 120.200 -0.020 0.000 2.479 139 E HA 0.071 4.422 4.350 0.000 0.000 0.193 139 E C 0.296 176.900 176.600 0.007 0.000 1.049 139 E CA 0.008 56.419 56.400 0.018 0.000 0.870 139 E CB -0.019 29.714 29.700 0.055 0.000 0.944 139 E HN 0.473 nan 8.360 nan 0.000 0.492 140 E N 0.213 120.398 120.200 -0.025 0.000 2.246 140 E HA -0.162 4.188 4.350 0.000 0.000 0.211 140 E C -0.536 176.091 176.600 0.045 0.000 1.278 140 E CA 0.605 57.005 56.400 0.000 0.000 0.694 140 E CB -1.559 28.130 29.700 -0.019 0.000 1.166 140 E HN 0.096 nan 8.360 nan 0.000 0.370 141 V N -3.387 116.569 119.914 0.071 0.000 3.040 141 V HA 0.669 4.789 4.120 0.000 0.000 0.312 141 V C 0.340 176.518 176.094 0.140 0.000 1.115 141 V CA -1.093 61.258 62.300 0.085 0.000 0.998 141 V CB 2.359 34.218 31.823 0.059 0.000 1.042 141 V HN -0.071 nan 8.190 nan 0.000 0.433 142 V N 3.254 123.260 119.914 0.153 0.000 2.368 142 V HA 0.385 4.505 4.120 0.000 0.000 0.266 142 V C -0.112 176.123 176.094 0.235 0.000 1.045 142 V CA -0.049 62.375 62.300 0.207 0.000 0.899 142 V CB 0.911 32.843 31.823 0.182 0.000 1.006 142 V HN 0.762 nan 8.190 nan 0.000 0.470 143 L N 7.392 128.809 121.223 0.324 0.000 2.272 143 L HA 0.622 4.963 4.340 0.000 0.000 0.289 143 L C -0.418 176.759 176.870 0.511 0.000 1.032 143 L CA 0.191 55.269 54.840 0.396 0.000 0.810 143 L CB 1.463 43.739 42.059 0.362 0.000 1.205 143 L HN 0.424 nan 8.230 nan 0.000 0.422 144 V N 3.618 123.792 119.914 0.434 0.000 2.513 144 V HA 0.637 4.758 4.120 0.000 0.000 0.299 144 V C -0.238 176.119 176.094 0.437 0.000 1.035 144 V CA -0.486 62.036 62.300 0.370 0.000 0.889 144 V CB 1.833 33.786 31.823 0.217 0.000 0.988 144 V HN 0.864 nan 8.190 nan 0.000 0.440 145 S N 5.026 120.992 115.700 0.443 0.000 2.552 145 S HA 0.825 5.296 4.470 0.000 0.000 0.314 145 S C -0.751 174.010 174.600 0.269 0.000 1.099 145 S CA -0.792 57.670 58.200 0.436 0.000 1.070 145 S CB 1.508 65.066 63.200 0.597 0.000 0.998 145 S HN 0.668 nan 8.310 nan 0.000 0.474 146 L N 0.848 122.158 121.223 0.146 0.000 2.492 146 L HA 0.998 5.338 4.340 0.000 0.000 0.263 146 L C 0.094 177.070 176.870 0.176 0.000 1.062 146 L CA -0.668 54.214 54.840 0.069 0.000 0.817 146 L CB 0.353 42.325 42.059 -0.146 0.000 1.441 146 L HN 0.854 nan 8.230 nan 0.000 0.493 147 S N -1.601 114.272 115.700 0.288 0.000 2.618 147 S HA 0.898 5.369 4.470 0.000 0.000 0.277 147 S C -1.285 173.563 174.600 0.414 0.000 1.138 147 S CA -0.541 57.861 58.200 0.337 0.000 0.844 147 S CB 1.544 64.992 63.200 0.414 0.000 1.127 147 S HN 1.172 nan 8.310 nan 0.000 0.474 148 Y N -1.853 118.552 120.300 0.176 0.000 2.624 148 Y HA 0.683 5.233 4.550 0.000 0.000 0.334 148 Y C -0.790 175.233 175.900 0.205 0.000 1.155 148 Y CA -1.434 56.765 58.100 0.165 0.000 1.046 148 Y CB 0.611 39.125 38.460 0.090 0.000 1.316 148 Y HN 0.766 nan 8.280 nan 0.000 0.457 149 R N 1.710 122.326 120.500 0.193 0.000 2.537 149 R HA 0.535 4.875 4.340 0.000 0.000 0.280 149 R C -0.287 176.156 176.300 0.237 0.000 1.058 149 R CA -0.205 55.967 56.100 0.120 0.000 1.057 149 R CB 0.869 31.213 30.300 0.073 0.000 0.973 149 R HN 0.695 nan 8.270 nan 0.000 0.438 150 V N -0.174 119.903 119.914 0.271 0.000 3.113 150 V HA 0.918 5.038 4.120 0.000 0.000 0.316 150 V C 0.648 177.061 176.094 0.531 0.000 1.125 150 V CA -0.042 62.539 62.300 0.469 0.000 1.026 150 V CB 1.326 33.317 31.823 0.279 0.000 1.080 150 V HN 0.983 nan 8.190 nan 0.000 0.444 151 G N 1.079 110.238 108.800 0.598 0.000 2.598 151 G HA2 0.071 4.032 3.960 0.000 0.000 0.244 151 G HA3 0.071 4.032 3.960 0.000 0.000 0.244 151 G C 0.955 176.049 174.900 0.322 0.000 1.302 151 G CA 0.759 46.166 45.100 0.511 0.000 0.903 151 G HN 2.213 nan 8.290 nan 0.000 0.575 152 A N -1.167 121.541 122.820 -0.187 0.000 1.940 152 A HA 0.182 4.502 4.320 0.000 0.000 0.219 152 A C 2.235 179.668 177.584 -0.252 0.000 1.176 152 A CA 2.629 54.187 52.037 -0.799 0.000 0.631 152 A CB -0.576 17.781 19.000 -1.071 0.000 0.814 152 A HN 1.058 nan 8.150 nan 0.000 0.446 153 F N -0.047 119.955 119.950 0.087 0.000 2.250 153 F HA -0.038 4.490 4.527 0.000 0.000 0.301 153 F C 2.374 178.173 175.800 -0.001 0.000 1.077 153 F CA 1.143 59.169 58.000 0.043 0.000 1.348 153 F CB -0.513 38.462 39.000 -0.042 0.000 1.040 153 F HN 0.300 nan 8.300 nan 0.000 0.509 154 G N -2.543 106.314 108.800 0.095 0.000 2.944 154 G HA2 0.105 4.066 3.960 0.000 0.000 0.220 154 G HA3 0.105 4.066 3.960 0.000 0.000 0.220 154 G C 0.721 175.064 174.900 -0.928 0.000 1.100 154 G CA 0.058 44.932 45.100 -0.377 0.000 0.780 154 G HN 0.322 nan 8.290 nan 0.000 0.539 155 F N -0.363 119.666 119.950 0.131 0.000 2.838 155 F HA 0.433 4.960 4.527 0.000 0.000 0.329 155 F C 0.368 176.206 175.800 0.064 0.000 1.116 155 F CA -1.014 57.043 58.000 0.095 0.000 1.155 155 F CB 0.430 39.509 39.000 0.132 0.000 1.106 155 F HN -0.087 nan 8.300 nan 0.000 0.538 156 L N 2.299 123.497 121.223 -0.043 0.000 2.559 156 L HA 0.413 4.754 4.340 0.000 0.000 0.274 156 L C 0.170 176.987 176.870 -0.089 0.000 1.205 156 L CA 0.240 54.938 54.840 -0.237 0.000 0.907 156 L CB 0.206 41.819 42.059 -0.743 0.000 1.153 156 L HN 0.160 nan 8.230 nan 0.000 0.490 157 A N 6.998 129.826 122.820 0.013 0.000 2.332 157 A HA 0.646 4.966 4.320 0.000 0.000 0.300 157 A C -0.795 176.800 177.584 0.018 0.000 1.153 157 A CA -0.481 51.576 52.037 0.034 0.000 0.764 157 A CB 0.609 19.665 19.000 0.093 0.000 1.174 157 A HN 0.712 nan 8.150 nan 0.000 0.467 158 L N 3.531 124.755 121.223 0.002 0.000 2.502 158 L HA 0.232 4.572 4.340 0.000 0.000 0.247 158 L C -0.035 176.863 176.870 0.047 0.000 1.180 158 L CA -0.749 54.095 54.840 0.007 0.000 0.956 158 L CB 0.439 42.468 42.059 -0.050 0.000 1.282 158 L HN 0.911 nan 8.230 nan 0.000 0.470 159 H N 1.626 120.695 119.070 -0.002 0.000 3.140 159 H HA 0.236 4.792 4.556 0.000 0.000 0.316 159 H C 1.153 176.485 175.328 0.007 0.000 0.986 159 H CA 1.737 57.791 56.048 0.010 0.000 1.397 159 H CB 0.775 30.547 29.762 0.018 0.000 1.377 159 H HN 0.689 nan 8.280 nan 0.000 0.585 160 G N 2.655 111.153 108.800 -0.503 0.000 2.376 160 G HA2 -0.270 3.691 3.960 0.000 0.000 0.208 160 G HA3 -0.270 3.691 3.960 0.000 0.000 0.208 160 G C 0.439 175.241 174.900 -0.164 0.000 1.032 160 G CA 0.169 45.066 45.100 -0.339 0.000 0.641 160 G HN 0.943 nan 8.290 nan 0.000 0.503 161 S N 0.435 116.074 115.700 -0.101 0.000 2.565 161 S HA 0.564 5.034 4.470 0.000 0.000 0.274 161 S C 1.099 175.679 174.600 -0.034 0.000 1.309 161 S CA 0.270 58.440 58.200 -0.050 0.000 1.043 161 S CB 1.450 64.632 63.200 -0.030 0.000 0.939 161 S HN 0.235 nan 8.310 nan 0.000 0.504 162 Q N 1.923 121.714 119.800 -0.014 0.000 2.356 162 Q HA 0.176 4.516 4.340 0.000 0.000 0.205 162 Q C 1.200 177.214 176.000 0.023 0.000 0.901 162 Q CA 0.347 56.152 55.803 0.003 0.000 0.938 162 Q CB 0.152 28.892 28.738 0.003 0.000 1.081 162 Q HN 0.718 nan 8.270 nan 0.000 0.517 163 E N 0.528 120.745 120.200 0.028 0.000 2.122 163 E HA 0.061 4.411 4.350 0.000 0.000 0.190 163 E C 0.152 176.801 176.600 0.082 0.000 0.977 163 E CA 0.608 57.042 56.400 0.057 0.000 0.820 163 E CB 0.447 30.185 29.700 0.064 0.000 0.770 163 E HN 0.112 nan 8.360 nan 0.000 0.462 164 A N 1.683 124.526 122.820 0.039 0.000 3.266 164 A HA 0.290 4.610 4.320 0.000 0.000 0.310 164 A C -2.006 175.576 177.584 -0.004 0.000 1.066 164 A CA -0.950 51.097 52.037 0.016 0.000 0.839 164 A CB 0.700 19.625 19.000 -0.126 0.000 1.192 164 A HN -0.109 nan 8.150 nan 0.000 0.496 165 P HA 0.086 nan 4.420 nan 0.000 0.221 165 P C 0.896 178.243 177.300 0.079 0.000 1.150 165 P CA 1.879 65.008 63.100 0.049 0.000 0.800 165 P CB 0.214 31.946 31.700 0.053 0.000 0.787 166 G N 0.300 109.127 108.800 0.045 0.000 2.619 166 G HA2 -0.136 3.825 3.960 0.000 0.000 0.686 166 G HA3 -0.136 3.825 3.960 0.000 0.000 0.686 166 G C -0.152 174.762 174.900 0.023 0.000 1.256 166 G CA -0.287 44.848 45.100 0.059 0.000 0.826 166 G HN 0.103 nan 8.290 nan 0.000 0.619 167 N N -2.366 116.356 118.700 0.037 0.000 2.778 167 N HA -0.296 4.444 4.740 0.000 0.000 0.249 167 N C 1.986 177.360 175.510 -0.226 0.000 1.069 167 N CA 2.526 55.534 53.050 -0.070 0.000 0.831 167 N CB -1.692 36.687 38.487 -0.180 0.000 1.142 167 N HN 1.901 nan 8.380 nan 0.000 0.573 168 V N -2.622 117.143 119.914 -0.249 0.000 2.594 168 V HA -0.039 4.081 4.120 0.000 0.000 0.253 168 V C 2.349 178.303 176.094 -0.233 0.000 1.069 168 V CA 2.336 64.528 62.300 -0.180 0.000 1.082 168 V CB -1.019 30.748 31.823 -0.093 0.000 0.680 168 V HN 0.286 nan 8.190 nan 0.000 0.469 169 G N 0.425 108.872 108.800 -0.589 0.000 2.418 169 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 169 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 169 G C 1.563 176.472 174.900 0.014 0.000 1.158 169 G CA 1.174 46.098 45.100 -0.294 0.000 0.771 169 G HN 0.530 nan 8.290 nan 0.000 0.545 170 L N -0.179 121.013 121.223 -0.050 0.000 2.093 170 L HA 0.035 4.376 4.340 0.000 0.000 0.208 170 L C 2.850 179.747 176.870 0.045 0.000 1.085 170 L CA 0.482 55.254 54.840 -0.113 0.000 0.755 170 L CB -0.302 41.393 42.059 -0.606 0.000 0.904 170 L HN 0.186 nan 8.230 nan 0.000 0.435 171 L N -0.639 120.600 121.223 0.026 0.000 2.141 171 L HA -0.205 4.135 4.340 0.000 0.000 0.209 171 L C 2.144 179.102 176.870 0.147 0.000 1.094 171 L CA 0.791 55.718 54.840 0.146 0.000 0.763 171 L CB -0.565 41.558 42.059 0.107 0.000 0.908 171 L HN 0.275 nan 8.230 nan 0.000 0.437 172 D N -0.098 120.387 120.400 0.141 0.000 2.097 172 D HA -0.195 4.445 4.640 0.000 0.000 0.195 172 D C 2.272 178.680 176.300 0.180 0.000 0.989 172 D CA 1.145 55.297 54.000 0.253 0.000 0.827 172 D CB -0.182 40.798 40.800 0.301 0.000 0.966 172 D HN 0.380 nan 8.370 nan 0.000 0.456 173 Q N 0.200 120.052 119.800 0.087 0.000 2.096 173 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 173 Q C 2.296 178.216 176.000 -0.133 0.000 0.982 173 Q CA 1.142 56.906 55.803 -0.066 0.000 0.850 173 Q CB -0.080 28.638 28.738 -0.034 0.000 0.901 173 Q HN 0.205 nan 8.270 nan 0.000 0.422 174 R N 0.577 121.084 120.500 0.011 0.000 2.073 174 R HA -0.143 4.197 4.340 0.000 0.000 0.234 174 R C 2.192 178.476 176.300 -0.027 0.000 1.134 174 R CA 1.558 57.642 56.100 -0.026 0.000 0.952 174 R CB -0.177 30.214 30.300 0.152 0.000 0.850 174 R HN 0.262 nan 8.270 nan 0.000 0.433 175 M N -0.092 119.531 119.600 0.039 0.000 2.229 175 M HA -0.082 4.398 4.480 0.000 0.000 0.264 175 M C 2.019 178.298 176.300 -0.034 0.000 1.063 175 M CA 1.764 57.119 55.300 0.091 0.000 1.114 175 M CB 0.056 32.800 32.600 0.242 0.000 1.387 175 M HN 0.342 nan 8.290 nan 0.000 0.420 176 A N 0.111 122.663 122.820 -0.446 0.000 1.968 176 A HA -0.073 4.247 4.320 0.000 0.000 0.217 176 A C 1.943 179.399 177.584 -0.213 0.000 1.169 176 A CA 1.110 52.666 52.037 -0.803 0.000 0.638 176 A CB -0.762 17.426 19.000 -1.354 0.000 0.812 176 A HN 0.546 nan 8.150 nan 0.000 0.446 177 L N -1.094 120.035 121.223 -0.157 0.000 2.056 177 L HA -0.200 4.140 4.340 0.000 0.000 0.207 177 L C 2.810 179.720 176.870 0.068 0.000 1.078 177 L CA 1.631 56.445 54.840 -0.044 0.000 0.749 177 L CB -0.477 41.513 42.059 -0.115 0.000 0.901 177 L HN 0.473 nan 8.230 nan 0.000 0.433 178 Q N -0.304 119.532 119.800 0.061 0.000 2.124 178 Q HA -0.267 4.074 4.340 0.000 0.000 0.202 178 Q C 1.995 178.108 176.000 0.188 0.000 0.977 178 Q CA 1.884 57.748 55.803 0.102 0.000 0.850 178 Q CB -0.445 28.343 28.738 0.084 0.000 0.901 178 Q HN 0.501 nan 8.270 nan 0.000 0.429 179 W N -0.991 120.322 121.300 0.022 0.000 2.388 179 W HA -0.102 4.558 4.660 0.000 0.000 0.294 179 W C 1.727 178.276 176.519 0.049 0.000 1.212 179 W CA 1.365 58.744 57.345 0.056 0.000 1.271 179 W CB -0.026 29.465 29.460 0.051 0.000 1.126 179 W HN -0.007 nan 8.180 nan 0.000 0.535 180 V N 0.085 120.228 119.914 0.382 0.000 2.295 180 V HA -0.370 3.751 4.120 0.000 0.000 0.246 180 V C 2.528 178.654 176.094 0.053 0.000 1.049 180 V CA 2.341 64.787 62.300 0.244 0.000 1.024 180 V CB -1.296 30.648 31.823 0.202 0.000 0.648 180 V HN 0.346 nan 8.190 nan 0.000 0.447 181 H N 0.139 119.202 119.070 -0.012 0.000 2.353 181 H HA -0.205 4.351 4.556 0.000 0.000 0.298 181 H C 1.941 177.184 175.328 -0.143 0.000 1.103 181 H CA 2.139 58.152 56.048 -0.059 0.000 1.293 181 H CB 0.081 29.824 29.762 -0.032 0.000 1.372 181 H HN 0.422 nan 8.280 nan 0.000 0.501 182 D N -0.402 119.915 120.400 -0.138 0.000 2.249 182 D HA -0.046 4.594 4.640 0.000 0.000 0.205 182 D C 1.332 177.377 176.300 -0.425 0.000 0.962 182 D CA 0.617 54.460 54.000 -0.262 0.000 0.860 182 D CB 0.029 40.730 40.800 -0.165 0.000 0.955 182 D HN 0.470 nan 8.370 nan 0.000 0.505 183 N N -0.235 118.133 118.700 -0.554 0.000 2.239 183 N HA 0.029 4.769 4.740 0.000 0.000 0.208 183 N C 1.525 176.844 175.510 -0.318 0.000 1.200 183 N CA -0.161 52.560 53.050 -0.548 0.000 0.895 183 N CB 1.008 38.889 38.487 -1.010 0.000 1.085 183 N HN 0.020 nan 8.380 nan 0.000 0.500 184 I N 3.146 123.593 120.570 -0.205 0.000 2.423 184 I HA -0.255 3.915 4.170 0.000 0.000 0.254 184 I C 2.527 178.627 176.117 -0.029 0.000 1.151 184 I CA 1.374 62.698 61.300 0.040 0.000 1.421 184 I CB -0.178 37.840 38.000 0.030 0.000 1.079 184 I HN 0.199 nan 8.210 nan 0.000 0.431 185 Q N -0.900 118.684 119.800 -0.360 0.000 2.291 185 Q HA -0.212 4.129 4.340 0.000 0.000 0.206 185 Q C 1.579 177.391 176.000 -0.313 0.000 0.976 185 Q CA 1.496 57.071 55.803 -0.379 0.000 0.875 185 Q CB -0.684 27.729 28.738 -0.542 0.000 0.927 185 Q HN 0.427 nan 8.270 nan 0.000 0.450 186 F N -0.600 119.301 119.950 -0.082 0.000 2.780 186 F HA 0.192 4.720 4.527 0.000 0.000 0.299 186 F C 0.684 176.239 175.800 -0.408 0.000 1.146 186 F CA -0.120 57.722 58.000 -0.262 0.000 1.428 186 F CB 0.005 38.767 39.000 -0.396 0.000 1.115 186 F HN -0.012 nan 8.300 nan 0.000 0.583 187 F N -0.477 119.487 119.950 0.024 0.000 2.639 187 F HA 0.447 4.974 4.527 0.000 0.000 0.302 187 F C 1.646 177.469 175.800 0.039 0.000 1.097 187 F CA 0.033 58.030 58.000 -0.004 0.000 1.294 187 F CB 0.099 39.064 39.000 -0.059 0.000 1.027 187 F HN 0.018 nan 8.300 nan 0.000 0.550 188 G N 0.639 109.524 108.800 0.141 0.000 2.137 188 G HA2 -0.149 3.811 3.960 0.000 0.000 0.237 188 G HA3 -0.149 3.811 3.960 0.000 0.000 0.237 188 G C 0.451 175.406 174.900 0.092 0.000 1.002 188 G CA -0.180 44.982 45.100 0.102 0.000 0.702 188 G HN 0.732 nan 8.290 nan 0.000 0.515 189 G N -0.643 108.208 108.800 0.084 0.000 2.389 189 G HA2 0.522 4.482 3.960 0.000 0.000 0.328 189 G HA3 0.522 4.482 3.960 0.000 0.000 0.328 189 G C -0.843 174.053 174.900 -0.007 0.000 1.133 189 G CA 0.033 45.168 45.100 0.059 0.000 0.891 189 G HN 0.234 nan 8.290 nan 0.000 0.485 190 D N 2.189 122.588 120.400 -0.003 0.000 2.411 190 D HA 0.256 4.896 4.640 0.000 0.000 0.225 190 D C -1.031 175.251 176.300 -0.031 0.000 1.156 190 D CA -2.425 51.557 54.000 -0.031 0.000 0.874 190 D CB 1.800 42.589 40.800 -0.018 0.000 1.034 190 D HN 0.073 nan 8.370 nan 0.000 0.502 191 P HA -0.128 nan 4.420 nan 0.000 0.228 191 P C 0.453 177.749 177.300 -0.007 0.000 1.151 191 P CA 0.812 63.871 63.100 -0.068 0.000 0.770 191 P CB 0.346 31.907 31.700 -0.230 0.000 0.786 192 K N -0.902 119.484 120.400 -0.024 0.000 2.393 192 K HA 0.113 4.433 4.320 0.000 0.000 0.193 192 K C 0.289 176.888 176.600 -0.003 0.000 1.026 192 K CA 0.629 56.912 56.287 -0.007 0.000 1.064 192 K CB 0.169 32.654 32.500 -0.025 0.000 0.833 192 K HN 0.040 nan 8.250 nan 0.000 0.521 193 T N 1.686 116.241 114.554 0.002 0.000 3.514 193 T HA 0.230 4.580 4.350 0.000 0.000 0.259 193 T C -0.563 174.153 174.700 0.027 0.000 1.466 193 T CA -0.381 61.718 62.100 -0.002 0.000 1.562 193 T CB 0.660 69.515 68.868 -0.022 0.000 0.924 193 T HN -0.227 nan 8.240 nan 0.000 0.678 194 V N 1.872 121.828 119.914 0.070 0.000 2.427 194 V HA 0.510 4.630 4.120 0.000 0.000 0.286 194 V C 0.373 176.563 176.094 0.160 0.000 1.034 194 V CA -0.489 61.882 62.300 0.118 0.000 0.893 194 V CB 1.717 33.634 31.823 0.158 0.000 0.982 194 V HN 0.520 nan 8.190 nan 0.000 0.452 195 T N 6.334 120.972 114.554 0.139 0.000 2.770 195 T HA 0.581 4.931 4.350 0.000 0.000 0.283 195 T C -0.160 174.667 174.700 0.212 0.000 0.988 195 T CA -0.188 62.008 62.100 0.160 0.000 0.957 195 T CB 0.736 69.646 68.868 0.071 0.000 0.930 195 T HN 0.608 nan 8.240 nan 0.000 0.443 196 I N 1.922 122.592 120.570 0.167 0.000 2.385 196 I HA 0.855 5.025 4.170 0.000 0.000 0.294 196 I C -0.849 175.451 176.117 0.304 0.000 0.988 196 I CA -0.920 60.464 61.300 0.139 0.000 1.265 196 I CB 0.842 38.703 38.000 -0.232 0.000 1.388 196 I HN 0.470 nan 8.210 nan 0.000 0.480 197 F N 2.929 122.903 119.950 0.040 0.000 2.619 197 F HA 0.993 5.521 4.527 0.001 0.000 0.308 197 F C -0.473 175.266 175.800 -0.102 0.000 1.097 197 F CA -1.445 56.613 58.000 0.097 0.000 0.953 197 F CB 1.309 40.505 39.000 0.327 0.000 1.287 197 F HN 0.829 nan 8.300 nan 0.000 0.446 198 G N 1.094 109.706 108.800 -0.314 0.000 2.646 198 G HA2 0.482 4.442 3.960 0.000 0.000 0.291 198 G HA3 0.482 4.442 3.960 0.000 0.000 0.291 198 G C -2.510 172.151 174.900 -0.399 0.000 1.445 198 G CA -0.803 43.709 45.100 -0.979 0.000 0.814 198 G HN 0.854 nan 8.290 nan 0.000 0.495 199 E N 0.545 120.498 120.200 -0.412 0.000 2.195 199 E HA 0.612 4.963 4.350 0.000 0.000 0.271 199 E C 0.830 177.382 176.600 -0.079 0.000 0.923 199 E CA 0.361 56.751 56.400 -0.016 0.000 0.790 199 E CB 1.947 31.795 29.700 0.247 0.000 1.155 199 E HN 0.805 nan 8.360 nan 0.000 0.402 200 S N 3.167 118.886 115.700 0.030 0.000 4.150 200 S HA -0.406 4.064 4.470 0.000 0.000 0.575 200 S C 1.497 176.170 174.600 0.122 0.000 1.878 200 S CA 2.363 60.654 58.200 0.151 0.000 4.245 200 S CB -1.630 61.638 63.200 0.113 0.000 0.231 200 S HN 0.926 nan 8.310 nan 0.000 0.469 201 A N 1.161 123.928 122.820 -0.088 0.000 2.019 201 A HA 0.205 4.525 4.320 0.000 0.000 0.219 201 A C 2.459 179.779 177.584 -0.440 0.000 1.164 201 A CA 2.307 54.090 52.037 -0.423 0.000 0.644 201 A CB -1.479 16.931 19.000 -0.983 0.000 0.805 201 A HN 1.519 nan 8.150 nan 0.000 0.449 202 G N -0.641 107.960 108.800 -0.332 0.000 2.403 202 G HA2 0.092 4.052 3.960 0.000 0.000 0.216 202 G HA3 0.092 4.052 3.960 0.000 0.000 0.216 202 G C 1.465 176.173 174.900 -0.319 0.000 1.154 202 G CA 1.126 45.981 45.100 -0.407 0.000 0.784 202 G HN 0.645 nan 8.290 nan 0.000 0.538 203 G N 1.008 109.686 108.800 -0.205 0.000 2.394 203 G HA2 0.114 4.074 3.960 0.000 0.000 0.215 203 G HA3 0.114 4.074 3.960 0.000 0.000 0.215 203 G C 2.032 176.828 174.900 -0.172 0.000 1.165 203 G CA 1.395 46.409 45.100 -0.144 0.000 0.784 203 G HN 0.581 nan 8.290 nan 0.000 0.535 204 A N 0.856 123.601 122.820 -0.126 0.000 1.902 204 A HA 0.003 4.323 4.320 0.000 0.000 0.217 204 A C 2.687 180.199 177.584 -0.120 0.000 1.181 204 A CA 2.243 54.185 52.037 -0.158 0.000 0.623 204 A CB -0.674 18.272 19.000 -0.089 0.000 0.818 204 A HN 0.296 nan 8.150 nan 0.000 0.443 205 S N -0.551 115.099 115.700 -0.083 0.000 2.359 205 S HA -0.150 4.321 4.470 0.000 0.000 0.224 205 S C 1.912 176.411 174.600 -0.168 0.000 1.035 205 S CA 1.467 59.597 58.200 -0.116 0.000 1.018 205 S CB -0.489 62.589 63.200 -0.203 0.000 0.876 205 S HN 0.346 nan 8.310 nan 0.000 0.448 206 V N 1.471 121.292 119.914 -0.156 0.000 2.332 206 V HA -0.175 3.945 4.120 0.000 0.000 0.248 206 V C 2.579 178.596 176.094 -0.127 0.000 1.055 206 V CA 2.002 64.219 62.300 -0.138 0.000 1.038 206 V CB -1.401 30.326 31.823 -0.159 0.000 0.651 206 V HN 0.604 nan 8.190 nan 0.000 0.450 207 G N -1.006 107.668 108.800 -0.210 0.000 2.432 207 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 207 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 207 G C 1.593 176.461 174.900 -0.055 0.000 1.135 207 G CA 0.998 45.934 45.100 -0.273 0.000 0.767 207 G HN 0.460 nan 8.290 nan 0.000 0.550 208 M N -0.229 119.360 119.600 -0.019 0.000 2.229 208 M HA 0.030 4.510 4.480 0.000 0.000 0.264 208 M C 2.223 178.635 176.300 0.186 0.000 1.063 208 M CA 0.828 56.256 55.300 0.214 0.000 1.114 208 M CB -0.192 32.554 32.600 0.244 0.000 1.387 208 M HN 0.166 nan 8.290 nan 0.000 0.420 209 H N -0.261 118.920 119.070 0.186 0.000 2.462 209 H HA 0.068 4.625 4.556 0.000 0.000 0.292 209 H C 2.089 177.606 175.328 0.315 0.000 1.049 209 H CA 1.170 57.316 56.048 0.164 0.000 1.334 209 H CB -0.139 29.599 29.762 -0.040 0.000 1.404 209 H HN 0.401 nan 8.280 nan 0.000 0.544 210 I N 0.385 121.205 120.570 0.417 0.000 2.252 210 I HA -0.241 3.929 4.170 0.000 0.000 0.245 210 I C 2.162 178.524 176.117 0.408 0.000 1.102 210 I CA 0.890 62.499 61.300 0.515 0.000 1.385 210 I CB -0.049 38.191 38.000 0.399 0.000 1.064 210 I HN 0.108 nan 8.210 nan 0.000 0.414 211 L N -0.711 120.716 121.223 0.339 0.000 2.109 211 L HA -0.060 4.280 4.340 0.000 0.000 0.207 211 L C 1.496 178.480 176.870 0.190 0.000 1.086 211 L CA 0.335 55.373 54.840 0.331 0.000 0.760 211 L CB -0.356 41.930 42.059 0.378 0.000 0.910 211 L HN 0.054 nan 8.230 nan 0.000 0.437 212 S N -0.068 115.651 115.700 0.032 0.000 2.488 212 S HA 0.111 4.582 4.470 0.000 0.000 0.278 212 S C -1.474 173.005 174.600 -0.202 0.000 1.259 212 S CA -1.360 56.651 58.200 -0.314 0.000 1.061 212 S CB 0.963 63.513 63.200 -1.084 0.000 0.910 212 S HN -0.086 nan 8.310 nan 0.000 0.491 213 P HA -0.058 nan 4.420 nan 0.000 0.216 213 P C 1.398 178.611 177.300 -0.145 0.000 1.150 213 P CA 1.045 64.072 63.100 -0.122 0.000 0.843 213 P CB -0.070 31.565 31.700 -0.109 0.000 0.787 214 G N -1.600 107.064 108.800 -0.227 0.000 2.625 214 G HA2 -0.119 3.841 3.960 0.000 0.000 0.214 214 G HA3 -0.119 3.841 3.960 0.000 0.000 0.214 214 G C 1.305 176.132 174.900 -0.123 0.000 1.132 214 G CA 0.572 45.562 45.100 -0.183 0.000 0.782 214 G HN 0.237 nan 8.290 nan 0.000 0.538 215 S N -0.788 114.862 115.700 -0.084 0.000 2.554 215 S HA 0.136 4.607 4.470 0.000 0.000 0.227 215 S C 2.120 176.820 174.600 0.166 0.000 1.050 215 S CA -0.493 57.758 58.200 0.085 0.000 0.927 215 S CB 0.298 63.674 63.200 0.293 0.000 0.859 215 S HN 0.325 nan 8.310 nan 0.000 0.494 216 R N 2.032 122.562 120.500 0.050 0.000 2.119 216 R HA -0.102 4.238 4.340 0.000 0.000 0.246 216 R C 0.560 176.649 176.300 -0.351 0.000 1.146 216 R CA 1.589 57.603 56.100 -0.143 0.000 0.962 216 R CB -0.339 29.900 30.300 -0.102 0.000 0.863 216 R HN 0.310 nan 8.270 nan 0.000 0.442 217 D N 0.295 120.573 120.400 -0.204 0.000 2.319 217 D HA 0.018 4.658 4.640 0.000 0.000 0.230 217 D C 0.902 177.088 176.300 -0.191 0.000 1.094 217 D CA 0.553 54.426 54.000 -0.212 0.000 0.856 217 D CB 0.315 41.014 40.800 -0.167 0.000 0.915 217 D HN 0.268 nan 8.370 nan 0.000 0.517 218 L N -0.038 121.124 121.223 -0.102 0.000 2.700 218 L HA 0.210 4.551 4.340 0.000 0.000 0.234 218 L C -0.221 176.790 176.870 0.235 0.000 1.156 218 L CA -0.197 54.659 54.840 0.026 0.000 0.946 218 L CB -0.159 41.925 42.059 0.043 0.000 1.216 218 L HN -0.099 nan 8.230 nan 0.000 0.493 219 F N -4.303 115.645 119.950 -0.003 0.000 2.719 219 F HA 0.552 5.080 4.527 0.000 0.000 0.309 219 F C 0.293 176.111 175.800 0.030 0.000 1.138 219 F CA -1.320 56.694 58.000 0.023 0.000 0.943 219 F CB 1.153 40.168 39.000 0.026 0.000 1.304 219 F HN -0.365 nan 8.300 nan 0.000 0.445 220 R N 0.876 121.450 120.500 0.123 0.000 2.074 220 R HA 0.469 4.810 4.340 0.000 0.000 0.218 220 R C -0.178 176.174 176.300 0.085 0.000 1.137 220 R CA 1.177 57.284 56.100 0.013 0.000 0.998 220 R CB 0.257 30.561 30.300 0.007 0.000 0.895 220 R HN 0.841 nan 8.270 nan 0.000 0.442 221 R N -1.664 118.980 120.500 0.240 0.000 2.846 221 R HA 0.769 5.109 4.340 0.000 0.000 0.263 221 R C -1.496 175.053 176.300 0.414 0.000 1.080 221 R CA -0.737 55.529 56.100 0.277 0.000 0.961 221 R CB 1.712 32.017 30.300 0.009 0.000 1.231 221 R HN 0.118 nan 8.270 nan 0.000 0.465 222 A N 0.966 124.022 122.820 0.395 0.000 2.449 222 A HA 0.729 5.049 4.320 0.000 0.000 0.302 222 A C -1.097 176.599 177.584 0.187 0.000 1.048 222 A CA -0.693 51.498 52.037 0.257 0.000 0.708 222 A CB 1.172 20.277 19.000 0.175 0.000 1.274 222 A HN 0.580 nan 8.150 nan 0.000 0.410 223 I N 2.023 122.667 120.570 0.122 0.000 2.418 223 I HA 0.359 4.529 4.170 0.000 0.000 0.287 223 I C -1.427 174.740 176.117 0.083 0.000 1.008 223 I CA -0.590 60.715 61.300 0.009 0.000 1.104 223 I CB 1.845 39.831 38.000 -0.024 0.000 1.264 223 I HN 0.431 nan 8.210 nan 0.000 0.438 224 L N 6.859 128.097 121.223 0.025 0.000 2.319 224 L HA 0.430 4.770 4.340 0.000 0.000 0.281 224 L C -0.431 176.509 176.870 0.116 0.000 1.005 224 L CA -0.204 54.647 54.840 0.017 0.000 0.828 224 L CB 1.468 43.461 42.059 -0.110 0.000 1.227 224 L HN 0.496 nan 8.230 nan 0.000 0.415 225 Q N 1.748 121.671 119.800 0.206 0.000 2.307 225 Q HA 0.453 4.793 4.340 0.000 0.000 0.262 225 Q C 0.199 176.311 176.000 0.186 0.000 0.961 225 Q CA -0.625 55.368 55.803 0.317 0.000 0.882 225 Q CB 1.543 30.579 28.738 0.498 0.000 1.264 225 Q HN 0.626 nan 8.270 nan 0.000 0.446 226 S N 0.962 116.760 115.700 0.164 0.000 3.486 226 S HA -0.189 4.282 4.470 0.000 0.000 0.371 226 S C 0.074 174.800 174.600 0.209 0.000 1.001 226 S CA 0.601 58.907 58.200 0.176 0.000 1.164 226 S CB -1.209 62.112 63.200 0.202 0.000 0.911 226 S HN 0.955 nan 8.310 nan 0.000 0.472 227 G N -0.383 108.486 108.800 0.116 0.000 2.655 227 G HA2 0.604 4.564 3.960 0.000 0.000 0.296 227 G HA3 0.604 4.564 3.960 0.000 0.000 0.296 227 G C -0.974 173.867 174.900 -0.098 0.000 1.485 227 G CA 0.064 45.234 45.100 0.118 0.000 0.869 227 G HN 1.054 nan 8.290 nan 0.000 0.540 228 S N 1.289 116.859 115.700 -0.216 0.000 2.579 228 S HA 0.783 5.253 4.470 0.000 0.000 0.272 228 S C -2.033 172.282 174.600 -0.476 0.000 1.141 228 S CA -1.127 56.802 58.200 -0.452 0.000 0.843 228 S CB 3.038 65.974 63.200 -0.440 0.000 1.122 228 S HN 0.412 nan 8.310 nan 0.000 0.468 229 P HA -0.167 nan 4.420 nan 0.000 0.217 229 P C 0.706 177.774 177.300 -0.387 0.000 1.148 229 P CA 1.480 64.340 63.100 -0.400 0.000 0.828 229 P CB -0.306 31.201 31.700 -0.322 0.000 0.783 230 N N -0.812 117.697 118.700 -0.318 0.000 2.461 230 N HA -0.032 4.708 4.740 0.000 0.000 0.188 230 N C 0.236 175.519 175.510 -0.379 0.000 1.134 230 N CA -0.085 52.809 53.050 -0.259 0.000 0.878 230 N CB -1.352 37.106 38.487 -0.048 0.000 0.972 230 N HN 0.051 nan 8.380 nan 0.000 0.456 231 C N 3.143 122.110 119.300 -0.556 0.000 2.597 231 C HA 0.026 4.486 4.460 0.000 0.000 0.412 231 C C -0.100 174.391 174.990 -0.831 0.000 1.348 231 C CA -0.828 57.711 59.018 -0.799 0.000 1.769 231 C CB 0.873 27.823 27.740 -1.316 0.000 2.641 231 C HN 0.378 nan 8.230 nan 0.000 0.612 232 P HA -0.109 nan 4.420 nan 0.000 0.222 232 P C 1.137 178.229 177.300 -0.346 0.000 1.147 232 P CA 1.847 64.661 63.100 -0.476 0.000 0.790 232 P CB -0.065 31.369 31.700 -0.443 0.000 0.780 233 W N -1.605 119.571 121.300 -0.207 0.000 3.177 233 W HA 0.582 5.242 4.660 0.000 0.000 0.309 233 W C 1.162 177.724 176.519 0.071 0.000 1.224 233 W CA 0.311 57.615 57.345 -0.069 0.000 1.718 233 W CB -0.982 28.471 29.460 -0.012 0.000 1.078 233 W HN -0.126 nan 8.180 nan 0.000 0.618 234 A N 1.486 123.942 122.820 -0.607 0.000 2.169 234 A HA 0.159 4.479 4.320 0.000 0.000 0.212 234 A C 1.053 178.417 177.584 -0.365 0.000 1.153 234 A CA 1.213 52.983 52.037 -0.445 0.000 0.756 234 A CB -0.534 17.959 19.000 -0.845 0.000 0.813 234 A HN 0.226 nan 8.150 nan 0.000 0.471 235 S N -1.851 113.652 115.700 -0.329 0.000 2.588 235 S HA 0.663 5.134 4.470 0.000 0.000 0.269 235 S C -0.788 173.680 174.600 -0.220 0.000 1.157 235 S CA -0.073 57.938 58.200 -0.314 0.000 0.824 235 S CB 1.352 64.317 63.200 -0.393 0.000 1.126 235 S HN 1.322 nan 8.310 nan 0.000 0.464 236 V N -1.120 118.686 119.914 -0.180 0.000 3.181 236 V HA 0.940 5.061 4.120 0.000 0.000 0.308 236 V C 0.069 176.093 176.094 -0.117 0.000 1.214 236 V CA -0.494 61.727 62.300 -0.132 0.000 1.053 236 V CB 1.143 32.906 31.823 -0.101 0.000 1.069 236 V HN 1.488 nan 8.190 nan 0.000 0.441 237 S N 0.505 116.147 115.700 -0.097 0.000 2.632 237 S HA 0.406 4.876 4.470 0.000 0.000 0.267 237 S C 1.278 175.834 174.600 -0.073 0.000 1.276 237 S CA -0.015 58.133 58.200 -0.088 0.000 0.998 237 S CB 1.279 64.435 63.200 -0.074 0.000 0.953 237 S HN 2.086 nan 8.310 nan 0.000 0.547 238 V N -1.075 118.784 119.914 -0.091 0.000 2.490 238 V HA -0.023 4.097 4.120 0.000 0.000 0.250 238 V C 2.545 178.625 176.094 -0.023 0.000 1.061 238 V CA 1.697 63.952 62.300 -0.075 0.000 1.064 238 V CB -2.036 29.668 31.823 -0.198 0.000 0.670 238 V HN 0.997 nan 8.190 nan 0.000 0.461 239 A N 0.606 123.407 122.820 -0.031 0.000 1.930 239 A HA -0.182 4.139 4.320 0.000 0.000 0.217 239 A C 2.215 179.783 177.584 -0.027 0.000 1.175 239 A CA 1.941 53.967 52.037 -0.018 0.000 0.627 239 A CB -0.564 18.424 19.000 -0.020 0.000 0.815 239 A HN 0.639 nan 8.150 nan 0.000 0.443 240 E N 0.062 120.236 120.200 -0.043 0.000 2.112 240 E HA 0.020 4.370 4.350 0.000 0.000 0.190 240 E C 1.953 178.522 176.600 -0.053 0.000 0.979 240 E CA 1.400 57.764 56.400 -0.060 0.000 0.814 240 E CB -0.778 28.876 29.700 -0.076 0.000 0.762 240 E HN 0.359 nan 8.360 nan 0.000 0.460 241 G N 0.798 109.579 108.800 -0.030 0.000 2.418 241 G HA2 -0.334 3.627 3.960 0.000 0.000 0.217 241 G HA3 -0.334 3.627 3.960 0.000 0.000 0.217 241 G C 1.757 176.673 174.900 0.027 0.000 1.158 241 G CA 0.830 45.935 45.100 0.008 0.000 0.771 241 G HN 0.333 nan 8.290 nan 0.000 0.545 242 R N 1.052 121.562 120.500 0.017 0.000 2.096 242 R HA -0.087 4.254 4.340 0.000 0.000 0.235 242 R C 2.622 178.923 176.300 0.002 0.000 1.127 242 R CA 1.661 57.770 56.100 0.016 0.000 0.968 242 R CB -0.284 30.029 30.300 0.022 0.000 0.861 242 R HN 0.455 nan 8.270 nan 0.000 0.440 243 R N -0.021 120.470 120.500 -0.015 0.000 2.115 243 R HA -0.012 4.328 4.340 0.000 0.000 0.226 243 R C 1.905 178.189 176.300 -0.028 0.000 1.100 243 R CA 1.183 57.267 56.100 -0.027 0.000 0.980 243 R CB -0.255 30.018 30.300 -0.045 0.000 0.875 243 R HN 0.185 nan 8.270 nan 0.000 0.445 244 R N 0.522 121.002 120.500 -0.034 0.000 2.148 244 R HA 0.082 4.423 4.340 0.000 0.000 0.223 244 R C 2.366 178.725 176.300 0.097 0.000 1.088 244 R CA 1.074 57.147 56.100 -0.044 0.000 0.985 244 R CB -0.243 29.947 30.300 -0.184 0.000 0.880 244 R HN 0.355 nan 8.270 nan 0.000 0.451 245 A N 0.947 123.836 122.820 0.115 0.000 1.855 245 A HA -0.095 4.225 4.320 0.000 0.000 0.215 245 A C 2.353 179.946 177.584 0.014 0.000 1.191 245 A CA 1.222 53.307 52.037 0.079 0.000 0.613 245 A CB -0.579 18.414 19.000 -0.012 0.000 0.829 245 A HN 0.081 nan 8.150 nan 0.000 0.442 246 V N 0.186 120.101 119.914 0.003 0.000 2.332 246 V HA -0.257 3.863 4.120 0.000 0.000 0.248 246 V C 2.611 178.708 176.094 0.005 0.000 1.055 246 V CA 2.489 64.786 62.300 -0.005 0.000 1.038 246 V CB -0.758 31.061 31.823 -0.007 0.000 0.651 246 V HN 0.714 nan 8.190 nan 0.000 0.450 247 E N 0.094 120.300 120.200 0.010 0.000 2.153 247 E HA -0.215 4.135 4.350 0.000 0.000 0.194 247 E C 1.890 178.512 176.600 0.035 0.000 0.988 247 E CA 1.047 57.454 56.400 0.011 0.000 0.811 247 E CB -0.380 29.314 29.700 -0.010 0.000 0.746 247 E HN 0.443 nan 8.360 nan 0.000 0.466 248 L N -0.334 120.930 121.223 0.068 0.000 2.046 248 L HA 0.013 4.354 4.340 0.000 0.000 0.208 248 L C 2.145 179.036 176.870 0.035 0.000 1.077 248 L CA 2.290 57.182 54.840 0.087 0.000 0.747 248 L CB -0.964 41.171 42.059 0.126 0.000 0.896 248 L HN 0.251 nan 8.230 nan 0.000 0.432 249 G N -1.144 107.663 108.800 0.011 0.000 2.402 249 G HA2 -0.295 3.665 3.960 0.000 0.000 0.216 249 G HA3 -0.295 3.665 3.960 0.000 0.000 0.216 249 G C 1.778 176.689 174.900 0.019 0.000 1.162 249 G CA 0.721 45.825 45.100 0.007 0.000 0.777 249 G HN 0.390 nan 8.290 nan 0.000 0.539 250 R N 0.506 121.016 120.500 0.018 0.000 2.083 250 R HA -0.083 4.258 4.340 0.000 0.000 0.237 250 R C 2.305 178.621 176.300 0.026 0.000 1.137 250 R CA 1.602 57.714 56.100 0.019 0.000 0.951 250 R CB -0.416 29.892 30.300 0.014 0.000 0.851 250 R HN 0.301 nan 8.270 nan 0.000 0.434 251 N N 0.272 118.992 118.700 0.033 0.000 2.272 251 N HA -0.150 4.591 4.740 0.000 0.000 0.185 251 N C 1.011 176.548 175.510 0.044 0.000 1.014 251 N CA 1.042 54.117 53.050 0.042 0.000 0.870 251 N CB 0.073 38.593 38.487 0.055 0.000 0.975 251 N HN 0.322 nan 8.380 nan 0.000 0.433 252 L N 0.634 121.881 121.223 0.040 0.000 2.818 252 L HA 0.184 4.525 4.340 0.000 0.000 0.243 252 L C -0.179 176.713 176.870 0.036 0.000 1.185 252 L CA -0.157 54.708 54.840 0.040 0.000 0.988 252 L CB -0.050 42.032 42.059 0.039 0.000 1.292 252 L HN 0.003 nan 8.230 nan 0.000 0.519 253 N N -0.279 118.440 118.700 0.032 0.000 2.738 253 N HA -0.177 4.563 4.740 0.000 0.000 0.249 253 N C -0.266 175.263 175.510 0.031 0.000 1.047 253 N CA 0.512 53.580 53.050 0.029 0.000 0.707 253 N CB -1.649 36.856 38.487 0.030 0.000 0.937 253 N HN 0.280 nan 8.380 nan 0.000 0.545 254 c N 0.595 119.213 118.600 0.029 0.000 2.382 254 c HA 0.308 4.879 4.570 0.000 0.000 0.363 254 c C 1.262 175.369 174.090 0.028 0.000 1.213 254 c CA -0.982 55.367 56.329 0.033 0.000 2.363 254 c CB 1.189 43.717 42.510 0.028 0.000 2.397 254 c HN 0.418 nan 8.230 nan 0.000 0.573 255 N N 1.567 120.288 118.700 0.034 0.000 2.442 255 N HA 0.169 4.909 4.740 0.000 0.000 0.265 255 N C -0.053 175.469 175.510 0.020 0.000 1.138 255 N CA 0.193 53.259 53.050 0.026 0.000 0.956 255 N CB 0.435 38.940 38.487 0.030 0.000 1.067 255 N HN 0.608 nan 8.380 nan 0.000 0.474 256 L N 2.804 124.035 121.223 0.012 0.000 2.769 256 L HA 0.213 4.553 4.340 0.000 0.000 0.240 256 L C 1.235 178.107 176.870 0.004 0.000 1.163 256 L CA -0.296 54.548 54.840 0.007 0.000 0.962 256 L CB -0.095 41.967 42.059 0.005 0.000 1.258 256 L HN 0.403 nan 8.230 nan 0.000 0.513 257 N N 0.773 119.476 118.700 0.005 0.000 2.289 257 N HA -0.083 4.657 4.740 0.000 0.000 0.184 257 N C 0.727 176.237 175.510 -0.000 0.000 1.016 257 N CA 1.011 54.062 53.050 0.002 0.000 0.872 257 N CB 0.150 38.637 38.487 0.001 0.000 0.973 257 N HN 0.468 nan 8.380 nan 0.000 0.433 258 S N -1.660 114.040 115.700 0.001 0.000 2.552 258 S HA 0.302 4.772 4.470 0.000 0.000 0.272 258 S C -0.174 174.426 174.600 0.000 0.000 1.150 258 S CA -0.880 57.319 58.200 -0.001 0.000 0.849 258 S CB 1.625 64.823 63.200 -0.002 0.000 1.113 258 S HN -0.238 nan 8.310 nan 0.000 0.458 259 D N 1.232 121.630 120.400 -0.005 0.000 2.133 259 D HA -0.104 4.536 4.640 0.000 0.000 0.195 259 D C 1.592 177.895 176.300 0.006 0.000 0.997 259 D CA 1.860 55.855 54.000 -0.009 0.000 0.840 259 D CB -0.148 40.643 40.800 -0.015 0.000 0.947 259 D HN 0.725 nan 8.370 nan 0.000 0.452 260 E N 0.847 121.055 120.200 0.013 0.000 2.077 260 E HA -0.164 4.187 4.350 0.000 0.000 0.193 260 E C 1.867 178.503 176.600 0.059 0.000 0.989 260 E CA 1.177 57.597 56.400 0.033 0.000 0.800 260 E CB -0.045 29.665 29.700 0.018 0.000 0.746 260 E HN 0.348 nan 8.360 nan 0.000 0.452 261 E N -0.619 119.603 120.200 0.037 0.000 2.072 261 E HA -0.146 4.204 4.350 0.000 0.000 0.190 261 E C 1.985 178.633 176.600 0.081 0.000 0.982 261 E CA 0.848 57.278 56.400 0.051 0.000 0.803 261 E CB -0.170 29.541 29.700 0.018 0.000 0.755 261 E HN 0.171 nan 8.360 nan 0.000 0.453 262 L N 1.299 122.547 121.223 0.042 0.000 1.989 262 L HA -0.196 4.144 4.340 0.000 0.000 0.211 262 L C 1.998 178.888 176.870 0.033 0.000 1.071 262 L CA 1.706 56.560 54.840 0.023 0.000 0.749 262 L CB -0.447 41.603 42.059 -0.014 0.000 0.890 262 L HN 0.138 nan 8.230 nan 0.000 0.431 263 I N -1.040 119.551 120.570 0.035 0.000 2.179 263 I HA -0.347 3.823 4.170 0.000 0.000 0.242 263 I C 2.561 178.764 176.117 0.144 0.000 1.088 263 I CA 1.685 63.026 61.300 0.069 0.000 1.357 263 I CB -0.552 37.491 38.000 0.071 0.000 1.051 263 I HN 0.475 nan 8.210 nan 0.000 0.409 264 H N 0.117 119.222 119.070 0.058 0.000 2.352 264 H HA -0.258 4.298 4.556 0.000 0.000 0.299 264 H C 2.440 177.802 175.328 0.057 0.000 1.097 264 H CA 2.300 58.382 56.048 0.056 0.000 1.311 264 H CB -0.240 29.542 29.762 0.034 0.000 1.377 264 H HN 0.481 nan 8.280 nan 0.000 0.504 265 c N 0.015 118.701 118.600 0.144 0.000 2.432 265 c HA -0.115 4.455 4.570 0.000 0.000 0.277 265 c C 2.735 176.847 174.090 0.036 0.000 1.249 265 c CA 1.199 57.578 56.329 0.083 0.000 1.725 265 c CB -1.410 41.151 42.510 0.086 0.000 2.028 265 c HN 0.678 nan 8.230 nan 0.000 0.477 266 L N 0.245 121.511 121.223 0.073 0.000 2.131 266 L HA -0.099 4.241 4.340 0.000 0.000 0.210 266 L C 2.927 179.876 176.870 0.131 0.000 1.092 266 L CA 1.508 56.423 54.840 0.126 0.000 0.759 266 L CB -0.632 41.531 42.059 0.173 0.000 0.903 266 L HN 0.350 nan 8.230 nan 0.000 0.435 267 R N -0.465 120.082 120.500 0.078 0.000 2.235 267 R HA -0.084 4.256 4.340 0.000 0.000 0.213 267 R C 1.829 178.067 176.300 -0.102 0.000 1.059 267 R CA 0.480 56.546 56.100 -0.056 0.000 0.997 267 R CB 0.014 30.264 30.300 -0.084 0.000 0.884 267 R HN 0.294 nan 8.270 nan 0.000 0.462 268 E N 0.658 120.794 120.200 -0.107 0.000 2.299 268 E HA -0.002 4.348 4.350 0.000 0.000 0.193 268 E C 0.078 176.662 176.600 -0.026 0.000 0.998 268 E CA 0.657 57.005 56.400 -0.088 0.000 0.851 268 E CB 0.232 29.878 29.700 -0.089 0.000 0.795 268 E HN 0.063 nan 8.360 nan 0.000 0.492 269 K N 1.675 122.074 120.400 -0.001 0.000 2.270 269 K HA 0.171 4.491 4.320 0.000 0.000 0.276 269 K C 0.291 176.916 176.600 0.042 0.000 1.023 269 K CA -0.119 56.184 56.287 0.027 0.000 0.955 269 K CB 0.750 33.276 32.500 0.042 0.000 0.975 269 K HN -0.097 nan 8.250 nan 0.000 0.471 270 K N 2.964 123.395 120.400 0.052 0.000 2.326 270 K HA 0.032 4.352 4.320 0.000 0.000 0.275 270 K C -1.580 175.093 176.600 0.122 0.000 1.018 270 K CA -1.443 54.883 56.287 0.064 0.000 0.962 270 K CB 0.227 32.757 32.500 0.051 0.000 0.953 270 K HN 0.186 nan 8.250 nan 0.000 0.475 271 P HA -0.286 nan 4.420 nan 0.000 0.219 271 P C 1.124 178.606 177.300 0.304 0.000 1.158 271 P CA 1.370 64.665 63.100 0.325 0.000 0.895 271 P CB 0.241 31.994 31.700 0.089 0.000 0.792 272 Q N -0.151 119.751 119.800 0.171 0.000 2.226 272 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 272 Q C 1.941 178.035 176.000 0.156 0.000 0.975 272 Q CA 1.633 57.530 55.803 0.157 0.000 0.866 272 Q CB -0.786 28.013 28.738 0.101 0.000 0.915 272 Q HN 0.372 nan 8.270 nan 0.000 0.440 273 E N -0.878 119.400 120.200 0.130 0.000 2.110 273 E HA -0.181 4.169 4.350 0.000 0.000 0.193 273 E C 1.664 178.332 176.600 0.114 0.000 0.988 273 E CA 0.960 57.425 56.400 0.108 0.000 0.804 273 E CB -0.030 29.718 29.700 0.081 0.000 0.745 273 E HN 0.226 nan 8.360 nan 0.000 0.458 274 L N 0.672 121.964 121.223 0.116 0.000 2.005 274 L HA -0.173 4.168 4.340 0.000 0.000 0.207 274 L C 2.260 179.203 176.870 0.122 0.000 1.072 274 L CA 1.488 56.364 54.840 0.059 0.000 0.744 274 L CB -0.501 41.504 42.059 -0.090 0.000 0.895 274 L HN 0.146 nan 8.230 nan 0.000 0.433 275 I N -0.497 120.201 120.570 0.214 0.000 2.264 275 I HA -0.323 3.847 4.170 0.000 0.000 0.248 275 I C 1.988 178.276 176.117 0.285 0.000 1.111 275 I CA 1.167 62.634 61.300 0.278 0.000 1.382 275 I CB -0.451 37.753 38.000 0.340 0.000 1.060 275 I HN 0.302 nan 8.210 nan 0.000 0.418 276 D N 0.326 120.868 120.400 0.237 0.000 2.182 276 D HA -0.127 4.514 4.640 0.000 0.000 0.201 276 D C 1.943 178.383 176.300 0.234 0.000 0.986 276 D CA 1.629 55.770 54.000 0.234 0.000 0.847 276 D CB 0.056 40.956 40.800 0.166 0.000 0.942 276 D HN 0.395 nan 8.370 nan 0.000 0.467 277 V N -2.299 117.728 119.914 0.190 0.000 3.528 277 V HA 0.170 4.291 4.120 0.000 0.000 0.294 277 V C 1.876 178.065 176.094 0.159 0.000 1.404 277 V CA 0.084 62.485 62.300 0.168 0.000 1.065 277 V CB 0.283 32.178 31.823 0.121 0.000 0.904 277 V HN -0.041 nan 8.190 nan 0.000 0.435 278 E N 1.067 121.352 120.200 0.142 0.000 2.108 278 E HA -0.302 4.049 4.350 0.000 0.000 0.203 278 E C 1.631 178.150 176.600 -0.134 0.000 1.022 278 E CA 2.878 59.303 56.400 0.041 0.000 0.823 278 E CB -0.290 29.345 29.700 -0.108 0.000 0.744 278 E HN 0.796 nan 8.360 nan 0.000 0.456 279 W N 0.778 122.091 121.300 0.022 0.000 2.525 279 W HA -0.020 4.641 4.660 0.000 0.000 0.259 279 W C 1.834 178.320 176.519 -0.055 0.000 1.253 279 W CA 0.320 57.627 57.345 -0.063 0.000 1.262 279 W CB -0.158 29.244 29.460 -0.097 0.000 1.122 279 W HN 0.122 nan 8.180 nan 0.000 0.607 280 N N 0.261 119.056 118.700 0.160 0.000 2.520 280 N HA -0.112 4.629 4.740 0.000 0.000 0.185 280 N C 1.767 177.288 175.510 0.018 0.000 1.068 280 N CA 1.521 54.625 53.050 0.090 0.000 0.911 280 N CB -0.660 37.880 38.487 0.089 0.000 0.961 280 N HN 0.271 nan 8.380 nan 0.000 0.446 281 V N -2.096 117.795 119.914 -0.037 0.000 3.541 281 V HA 0.201 4.321 4.120 0.000 0.000 0.267 281 V C 0.847 176.847 176.094 -0.156 0.000 1.213 281 V CA -0.000 62.239 62.300 -0.101 0.000 1.149 281 V CB -0.665 31.074 31.823 -0.140 0.000 0.822 281 V HN -0.000 nan 8.190 nan 0.000 0.462 282 L N 2.251 123.395 121.223 -0.131 0.000 2.514 282 L HA 0.179 4.519 4.340 0.000 0.000 0.280 282 L C -0.340 176.420 176.870 -0.184 0.000 1.223 282 L CA -0.773 53.983 54.840 -0.141 0.000 0.864 282 L CB 0.460 42.495 42.059 -0.040 0.000 1.118 282 L HN 0.170 nan 8.230 nan 0.000 0.494 283 P HA -0.027 nan 4.420 nan 0.000 0.229 283 P C -0.351 176.506 177.300 -0.737 0.000 1.160 283 P CA 1.049 63.769 63.100 -0.634 0.000 0.777 283 P CB 0.267 31.394 31.700 -0.955 0.000 0.814 284 F N -0.912 119.036 119.950 -0.005 0.000 2.626 284 F HA 0.368 4.895 4.527 0.000 0.000 0.311 284 F C 0.018 175.820 175.800 0.003 0.000 1.088 284 F CA -1.496 56.506 58.000 0.004 0.000 0.949 284 F CB 0.231 39.238 39.000 0.012 0.000 1.322 284 F HN -0.426 nan 8.300 nan 0.000 0.461 285 D N 1.217 121.753 120.400 0.227 0.000 2.371 285 D HA 0.493 5.133 4.640 0.000 0.000 0.256 285 D C -0.515 175.854 176.300 0.114 0.000 1.193 285 D CA 0.664 54.734 54.000 0.117 0.000 0.881 285 D CB 0.647 41.495 40.800 0.079 0.000 1.143 285 D HN 0.660 nan 8.370 nan 0.000 0.473 286 S N 1.610 117.358 115.700 0.080 0.000 2.643 286 S HA 0.747 5.218 4.470 0.000 0.000 0.270 286 S C -0.733 173.874 174.600 0.012 0.000 1.166 286 S CA -1.043 57.191 58.200 0.057 0.000 0.815 286 S CB 0.740 64.002 63.200 0.105 0.000 1.139 286 S HN 0.417 nan 8.310 nan 0.000 0.472 287 I N -3.138 117.433 120.570 0.002 0.000 2.934 287 I HA 0.806 4.977 4.170 0.000 0.000 0.306 287 I C -0.425 175.664 176.117 -0.047 0.000 1.110 287 I CA -1.165 60.127 61.300 -0.012 0.000 1.019 287 I CB 1.404 39.429 38.000 0.041 0.000 1.227 287 I HN 0.772 nan 8.210 nan 0.000 0.434 288 F N 2.057 121.779 119.950 -0.379 0.000 3.074 288 F HA -0.176 4.351 4.527 0.000 0.000 0.287 288 F C -0.442 174.796 175.800 -0.937 0.000 0.932 288 F CA 0.599 58.108 58.000 -0.817 0.000 0.995 288 F CB -0.597 37.911 39.000 -0.819 0.000 0.966 288 F HN 0.607 nan 8.300 nan 0.000 0.721 289 R N 0.759 120.774 120.500 -0.809 0.000 2.538 289 R HA 0.559 4.899 4.340 0.000 0.000 0.292 289 R C -1.004 174.837 176.300 -0.764 0.000 1.008 289 R CA -0.523 55.200 56.100 -0.628 0.000 0.896 289 R CB 1.234 31.442 30.300 -0.154 0.000 1.187 289 R HN 0.008 nan 8.270 nan 0.000 0.440 290 F N -0.499 119.535 119.950 0.140 0.000 2.546 290 F HA 0.383 4.910 4.527 0.000 0.000 0.320 290 F C 1.616 177.322 175.800 -0.156 0.000 1.076 290 F CA -0.818 57.175 58.000 -0.011 0.000 0.928 290 F CB 1.688 40.778 39.000 0.150 0.000 1.189 290 F HN 0.340 nan 8.300 nan 0.000 0.465 291 S N 0.673 116.218 115.700 -0.258 0.000 2.343 291 S HA -0.048 4.422 4.470 0.000 0.000 0.219 291 S C 0.115 174.300 174.600 -0.692 0.000 1.033 291 S CA 1.194 59.044 58.200 -0.583 0.000 1.014 291 S CB -0.251 62.400 63.200 -0.915 0.000 0.915 291 S HN 0.344 nan 8.310 nan 0.000 0.435 292 F N 1.812 121.777 119.950 0.026 0.000 2.332 292 F HA 0.558 5.086 4.527 0.000 0.000 0.368 292 F C 0.119 175.953 175.800 0.057 0.000 1.110 292 F CA -0.988 57.066 58.000 0.090 0.000 1.087 292 F CB 0.976 40.064 39.000 0.148 0.000 1.235 292 F HN -0.067 nan 8.300 nan 0.000 0.470 293 V N 0.911 120.826 119.914 0.002 0.000 3.167 293 V HA 0.756 4.876 4.120 0.000 0.000 0.310 293 V C -2.913 172.897 176.094 -0.472 0.000 1.207 293 V CA -3.342 58.653 62.300 -0.508 0.000 1.059 293 V CB 1.989 33.648 31.823 -0.272 0.000 1.079 293 V HN 0.261 nan 8.190 nan 0.000 0.446 294 P HA 0.215 nan 4.420 nan 0.000 0.265 294 P C -0.551 176.671 177.300 -0.129 0.000 1.187 294 P CA 0.334 63.245 63.100 -0.315 0.000 0.766 294 P CB 0.366 31.811 31.700 -0.424 0.000 0.820 295 V N 1.728 121.660 119.914 0.029 0.000 2.581 295 V HA 0.408 4.529 4.120 0.000 0.000 0.303 295 V C 0.140 176.285 176.094 0.085 0.000 1.041 295 V CA -0.852 61.457 62.300 0.015 0.000 0.907 295 V CB 1.610 33.458 31.823 0.042 0.000 0.994 295 V HN 0.229 nan 8.190 nan 0.000 0.442 296 I N 4.919 125.475 120.570 -0.023 0.000 2.260 296 I HA 0.206 4.377 4.170 0.000 0.000 0.297 296 I C 0.894 177.022 176.117 0.018 0.000 1.143 296 I CA 0.019 61.326 61.300 0.012 0.000 1.271 296 I CB 0.026 37.950 38.000 -0.125 0.000 1.461 296 I HN 0.951 nan 8.210 nan 0.000 0.530 297 D N 3.526 123.999 120.400 0.122 0.000 2.355 297 D HA 0.038 4.678 4.640 0.000 0.000 0.206 297 D C 1.356 177.665 176.300 0.015 0.000 1.010 297 D CA 0.833 54.822 54.000 -0.019 0.000 0.875 297 D CB 0.411 41.282 40.800 0.118 0.000 0.966 297 D HN 0.639 nan 8.370 nan 0.000 0.512 298 G N 0.621 109.489 108.800 0.113 0.000 2.132 298 G HA2 -0.315 3.645 3.960 0.000 0.000 0.234 298 G HA3 -0.315 3.645 3.960 0.000 0.000 0.234 298 G C 0.533 175.502 174.900 0.114 0.000 0.989 298 G CA 0.573 45.734 45.100 0.103 0.000 0.676 298 G HN 0.515 nan 8.290 nan 0.000 0.522 299 E N -1.785 118.495 120.200 0.134 0.000 3.441 299 E HA 0.333 4.683 4.350 0.000 0.000 0.195 299 E C 1.658 178.279 176.600 0.036 0.000 1.172 299 E CA -0.209 56.247 56.400 0.094 0.000 1.457 299 E CB 0.004 29.782 29.700 0.130 0.000 1.388 299 E HN 0.256 nan 8.360 nan 0.000 0.551 300 F N 0.496 120.378 119.950 -0.114 0.000 2.259 300 F HA 0.161 4.689 4.527 0.000 0.000 0.298 300 F C -0.047 175.433 175.800 -0.533 0.000 1.088 300 F CA 0.925 58.715 58.000 -0.351 0.000 1.358 300 F CB 0.426 39.123 39.000 -0.506 0.000 1.040 300 F HN -0.088 nan 8.300 nan 0.000 0.505 301 F N 0.873 120.943 119.950 0.201 0.000 2.434 301 F HA 0.371 4.899 4.527 0.000 0.000 0.355 301 F C -1.688 174.144 175.800 0.053 0.000 1.115 301 F CA -2.978 55.089 58.000 0.111 0.000 1.010 301 F CB 0.706 39.780 39.000 0.124 0.000 1.234 301 F HN -0.249 nan 8.300 nan 0.000 0.439 302 P HA -0.128 nan 4.420 nan 0.000 0.216 302 P C 0.437 177.796 177.300 0.099 0.000 1.157 302 P CA 1.884 65.040 63.100 0.093 0.000 0.880 302 P CB 0.139 31.871 31.700 0.054 0.000 0.791 303 T N -6.275 108.346 114.554 0.112 0.000 2.716 303 T HA 0.491 4.841 4.350 0.000 0.000 0.286 303 T C -0.137 174.602 174.700 0.064 0.000 1.052 303 T CA -0.668 61.476 62.100 0.073 0.000 1.024 303 T CB 0.822 69.719 68.868 0.048 0.000 1.349 303 T HN 0.038 nan 8.240 nan 0.000 0.525 304 S N -0.084 115.628 115.700 0.019 0.000 2.560 304 S HA 0.094 4.565 4.470 0.000 0.000 0.276 304 S C 1.439 176.028 174.600 -0.019 0.000 1.350 304 S CA -0.582 57.604 58.200 -0.024 0.000 1.024 304 S CB -0.440 62.746 63.200 -0.024 0.000 0.864 304 S HN 0.656 nan 8.310 nan 0.000 0.536 305 L N 0.495 121.666 121.223 -0.087 0.000 2.046 305 L HA -0.075 4.265 4.340 0.000 0.000 0.208 305 L C 2.936 179.823 176.870 0.029 0.000 1.077 305 L CA 1.889 56.692 54.840 -0.062 0.000 0.747 305 L CB -0.819 41.142 42.059 -0.164 0.000 0.896 305 L HN 0.821 nan 8.230 nan 0.000 0.432 306 E N 0.792 121.010 120.200 0.031 0.000 2.051 306 E HA -0.206 4.144 4.350 0.000 0.000 0.192 306 E C 2.268 178.922 176.600 0.090 0.000 0.991 306 E CA 1.789 58.242 56.400 0.089 0.000 0.799 306 E CB -0.091 29.657 29.700 0.080 0.000 0.748 306 E HN 0.468 nan 8.360 nan 0.000 0.449 307 S N -0.235 115.503 115.700 0.063 0.000 2.382 307 S HA -0.209 4.261 4.470 0.000 0.000 0.228 307 S C 2.145 176.792 174.600 0.079 0.000 1.027 307 S CA 1.497 59.735 58.200 0.062 0.000 0.991 307 S CB -0.428 62.797 63.200 0.041 0.000 0.823 307 S HN 0.270 nan 8.310 nan 0.000 0.469 308 M N 0.888 120.547 119.600 0.098 0.000 2.132 308 M HA 0.055 4.535 4.480 0.000 0.000 0.263 308 M C 2.274 178.717 176.300 0.239 0.000 1.065 308 M CA 1.329 56.715 55.300 0.144 0.000 1.122 308 M CB -0.633 32.076 32.600 0.181 0.000 1.365 308 M HN 0.302 nan 8.290 nan 0.000 0.411 309 L N 0.032 121.380 121.223 0.209 0.000 2.083 309 L HA -0.230 4.111 4.340 0.000 0.000 0.209 309 L C 2.153 179.190 176.870 0.278 0.000 1.083 309 L CA 0.906 55.878 54.840 0.220 0.000 0.752 309 L CB -0.737 41.357 42.059 0.059 0.000 0.899 309 L HN 0.352 nan 8.230 nan 0.000 0.433 310 N N -0.313 118.497 118.700 0.183 0.000 2.142 310 N HA -0.134 4.606 4.740 0.000 0.000 0.186 310 N C 1.988 177.608 175.510 0.182 0.000 1.023 310 N CA 1.698 54.860 53.050 0.186 0.000 0.852 310 N CB -0.231 38.333 38.487 0.127 0.000 0.998 310 N HN 0.320 nan 8.380 nan 0.000 0.424 311 S N -1.142 114.586 115.700 0.045 0.000 2.562 311 S HA 0.225 4.696 4.470 0.000 0.000 0.221 311 S C 1.405 175.695 174.600 -0.517 0.000 0.975 311 S CA 0.566 58.713 58.200 -0.088 0.000 0.918 311 S CB 0.110 63.265 63.200 -0.075 0.000 0.772 311 S HN 0.427 nan 8.310 nan 0.000 0.531 312 G N 1.818 110.153 108.800 -0.775 0.000 2.143 312 G HA2 -0.281 3.680 3.960 0.000 0.000 0.249 312 G HA3 -0.281 3.680 3.960 0.000 0.000 0.249 312 G C 0.048 174.145 174.900 -1.339 0.000 0.981 312 G CA 0.023 43.971 45.100 -1.920 0.000 0.665 312 G HN 0.581 nan 8.290 nan 0.000 0.528 313 N N 0.843 119.222 118.700 -0.535 0.000 2.744 313 N HA 0.467 5.207 4.740 0.000 0.000 0.290 313 N C -0.095 175.404 175.510 -0.019 0.000 1.206 313 N CA 0.371 53.263 53.050 -0.262 0.000 1.119 313 N CB -1.103 37.339 38.487 -0.075 0.000 1.449 313 N HN 0.771 nan 8.380 nan 0.000 0.514 314 F N -1.216 118.678 119.950 -0.093 0.000 2.807 314 F HA 0.390 4.917 4.527 0.000 0.000 0.316 314 F C -0.427 175.394 175.800 0.035 0.000 1.162 314 F CA -1.453 56.565 58.000 0.031 0.000 0.910 314 F CB 0.637 39.721 39.000 0.140 0.000 1.314 314 F HN -0.153 nan 8.300 nan 0.000 0.454 315 K N 1.561 122.210 120.400 0.414 0.000 2.416 315 K HA 0.238 4.559 4.320 0.000 0.000 0.283 315 K C -1.024 175.808 176.600 0.386 0.000 1.037 315 K CA -0.316 56.125 56.287 0.255 0.000 0.995 315 K CB 0.539 33.146 32.500 0.178 0.000 0.938 315 K HN 0.599 nan 8.250 nan 0.000 0.475 316 K N 2.871 123.357 120.400 0.143 0.000 2.263 316 K HA 0.173 4.493 4.320 0.000 0.000 0.282 316 K C -0.202 176.506 176.600 0.179 0.000 1.089 316 K CA -0.103 56.264 56.287 0.134 0.000 0.907 316 K CB 1.549 34.038 32.500 -0.019 0.000 1.148 316 K HN 0.695 nan 8.250 nan 0.000 0.470 317 T N 1.309 116.066 114.554 0.338 0.000 2.627 317 T HA 0.322 4.672 4.350 0.000 0.000 0.294 317 T C -1.399 173.510 174.700 0.348 0.000 1.230 317 T CA -0.640 61.616 62.100 0.260 0.000 1.084 317 T CB 0.541 69.529 68.868 0.199 0.000 1.693 317 T HN 0.357 nan 8.240 nan 0.000 0.465 318 Q N 1.229 121.202 119.800 0.287 0.000 2.256 318 Q HA 0.716 5.056 4.340 0.000 0.000 0.257 318 Q C -0.503 175.803 176.000 0.511 0.000 0.936 318 Q CA -0.439 55.593 55.803 0.381 0.000 0.903 318 Q CB 1.408 30.324 28.738 0.297 0.000 1.263 318 Q HN 0.644 nan 8.270 nan 0.000 0.440 319 I N -0.708 120.108 120.570 0.409 0.000 2.545 319 I HA 0.679 4.849 4.170 0.000 0.000 0.292 319 I C -1.455 174.587 176.117 -0.126 0.000 1.040 319 I CA -1.298 60.101 61.300 0.165 0.000 1.068 319 I CB 1.632 39.559 38.000 -0.122 0.000 1.251 319 I HN 0.538 nan 8.210 nan 0.000 0.424 320 L N 7.869 128.756 121.223 -0.559 0.000 2.356 320 L HA 0.808 5.149 4.340 0.000 0.000 0.277 320 L C -1.225 175.421 176.870 -0.373 0.000 0.996 320 L CA -0.558 53.820 54.840 -0.770 0.000 0.822 320 L CB 1.615 42.636 42.059 -1.730 0.000 1.256 320 L HN 0.864 nan 8.230 nan 0.000 0.413 321 L N 2.539 123.674 121.223 -0.146 0.000 2.671 321 L HA 1.105 5.445 4.340 0.000 0.000 0.259 321 L C -0.833 175.805 176.870 -0.386 0.000 1.021 321 L CA -0.426 54.352 54.840 -0.104 0.000 0.871 321 L CB 1.882 43.877 42.059 -0.107 0.000 1.472 321 L HN 0.664 nan 8.230 nan 0.000 0.410 322 G N -0.032 108.295 108.800 -0.790 0.000 2.488 322 G HA2 0.634 4.595 3.960 0.000 0.000 0.301 322 G HA3 0.634 4.595 3.960 0.000 0.000 0.301 322 G C -1.417 173.119 174.900 -0.606 0.000 1.339 322 G CA -0.028 44.250 45.100 -1.370 0.000 0.803 322 G HN 1.421 nan 8.290 nan 0.000 0.482 323 V N -2.673 117.071 119.914 -0.284 0.000 3.156 323 V HA 0.874 4.995 4.120 0.000 0.000 0.311 323 V C -0.884 175.289 176.094 0.132 0.000 1.208 323 V CA -1.398 60.927 62.300 0.041 0.000 1.063 323 V CB 1.839 33.704 31.823 0.070 0.000 1.098 323 V HN 0.662 nan 8.190 nan 0.000 0.452 324 N N 0.156 118.925 118.700 0.116 0.000 2.432 324 N HA 0.462 5.202 4.740 0.000 0.000 0.292 324 N C 0.458 175.901 175.510 -0.111 0.000 1.193 324 N CA -0.568 52.533 53.050 0.084 0.000 0.878 324 N CB 1.826 40.453 38.487 0.233 0.000 1.252 324 N HN 0.912 nan 8.380 nan 0.000 0.520 325 K N -0.121 120.142 120.400 -0.228 0.000 2.097 325 K HA -0.039 4.282 4.320 0.000 0.000 0.206 325 K C -0.642 176.045 176.600 0.145 0.000 1.049 325 K CA 1.298 57.532 56.287 -0.089 0.000 0.933 325 K CB 0.219 32.718 32.500 -0.001 0.000 0.717 325 K HN 0.494 nan 8.250 nan 0.000 0.442 326 D N 1.097 121.581 120.400 0.140 0.000 2.749 326 D HA 0.031 4.672 4.640 0.000 0.000 0.338 326 D C 0.076 176.492 176.300 0.193 0.000 1.236 326 D CA -0.093 54.005 54.000 0.163 0.000 0.845 326 D CB 1.250 42.119 40.800 0.116 0.000 1.080 326 D HN 0.162 nan 8.370 nan 0.000 0.497 327 E N 0.521 120.863 120.200 0.237 0.000 2.118 327 E HA -0.132 4.219 4.350 0.000 0.000 0.195 327 E C 1.984 178.802 176.600 0.364 0.000 0.992 327 E CA 0.789 57.388 56.400 0.331 0.000 0.804 327 E CB 0.085 29.975 29.700 0.316 0.000 0.741 327 E HN 0.419 nan 8.360 nan 0.000 0.458 328 G N 1.245 110.219 108.800 0.290 0.000 2.511 328 G HA2 -0.183 3.778 3.960 0.000 0.000 0.217 328 G HA3 -0.183 3.778 3.960 0.000 0.000 0.217 328 G C 1.732 176.792 174.900 0.268 0.000 1.133 328 G CA 0.859 46.158 45.100 0.331 0.000 0.792 328 G HN 0.366 nan 8.290 nan 0.000 0.539 329 S N 0.567 116.354 115.700 0.146 0.000 2.383 329 S HA -0.156 4.314 4.470 0.000 0.000 0.229 329 S C 2.063 176.609 174.600 -0.090 0.000 1.030 329 S CA 1.023 59.242 58.200 0.032 0.000 1.002 329 S CB -0.539 62.563 63.200 -0.163 0.000 0.829 329 S HN 0.159 nan 8.310 nan 0.000 0.467 330 F N 2.133 121.874 119.950 -0.348 0.000 2.126 330 F HA 0.036 4.563 4.527 0.000 0.000 0.299 330 F C 1.773 177.270 175.800 -0.505 0.000 1.096 330 F CA 0.649 58.294 58.000 -0.591 0.000 1.255 330 F CB -0.728 37.708 39.000 -0.940 0.000 0.997 330 F HN 0.194 nan 8.300 nan 0.000 0.479 331 F N -0.773 119.187 119.950 0.018 0.000 2.325 331 F HA -0.088 4.439 4.527 0.000 0.000 0.299 331 F C 2.172 177.950 175.800 -0.036 0.000 1.090 331 F CA 0.644 58.597 58.000 -0.077 0.000 1.392 331 F CB -0.840 38.012 39.000 -0.246 0.000 1.053 331 F HN -0.099 nan 8.300 nan 0.000 0.521 332 L N -0.733 120.491 121.223 0.003 0.000 2.095 332 L HA -0.143 4.197 4.340 0.000 0.000 0.204 332 L C 2.424 179.163 176.870 -0.217 0.000 1.080 332 L CA 0.437 55.061 54.840 -0.361 0.000 0.759 332 L CB -0.578 40.849 42.059 -1.054 0.000 0.914 332 L HN 0.147 nan 8.230 nan 0.000 0.439 333 L N -0.951 120.311 121.223 0.066 0.000 2.081 333 L HA -0.262 4.079 4.340 0.000 0.000 0.212 333 L C 2.244 179.270 176.870 0.260 0.000 1.080 333 L CA 2.053 57.084 54.840 0.319 0.000 0.754 333 L CB -0.607 41.654 42.059 0.337 0.000 0.893 333 L HN 0.140 nan 8.230 nan 0.000 0.433 334 Y N -1.070 119.296 120.300 0.110 0.000 2.397 334 Y HA 0.233 4.783 4.550 0.000 0.000 0.292 334 Y C 2.311 178.224 175.900 0.021 0.000 1.115 334 Y CA 0.945 59.092 58.100 0.079 0.000 1.208 334 Y CB -0.254 38.236 38.460 0.050 0.000 1.046 334 Y HN 0.232 nan 8.280 nan 0.000 0.552 335 G N -1.528 107.368 108.800 0.160 0.000 3.342 335 G HA2 0.475 4.436 3.960 0.000 0.000 0.252 335 G HA3 0.475 4.436 3.960 0.000 0.000 0.252 335 G C -0.108 174.839 174.900 0.078 0.000 1.011 335 G CA 0.414 45.562 45.100 0.080 0.000 0.869 335 G HN 0.264 nan 8.290 nan 0.000 0.514 336 A N 1.357 124.246 122.820 0.116 0.000 2.337 336 A HA 0.833 5.153 4.320 0.000 0.000 0.329 336 A C -2.581 175.176 177.584 0.289 0.000 1.146 336 A CA -1.586 50.561 52.037 0.184 0.000 0.800 336 A CB 1.561 20.677 19.000 0.193 0.000 1.220 336 A HN 0.050 nan 8.150 nan 0.000 0.472 337 P HA 0.285 nan 4.420 nan 0.000 0.268 337 P C 0.874 178.202 177.300 0.048 0.000 1.205 337 P CA 1.434 64.597 63.100 0.104 0.000 0.771 337 P CB 1.130 32.860 31.700 0.051 0.000 0.858 338 G N 1.574 110.342 108.800 -0.053 0.000 2.258 338 G HA2 -0.225 3.736 3.960 0.000 0.000 0.233 338 G HA3 -0.225 3.736 3.960 0.000 0.000 0.233 338 G C -0.141 174.507 174.900 -0.419 0.000 1.006 338 G CA -0.437 44.501 45.100 -0.269 0.000 0.620 338 G HN 0.437 nan 8.290 nan 0.000 0.511 339 F N 1.709 121.593 119.950 -0.111 0.000 2.375 339 F HA 0.719 5.246 4.527 0.000 0.000 0.333 339 F C 0.780 176.574 175.800 -0.011 0.000 1.104 339 F CA 0.203 58.109 58.000 -0.156 0.000 1.149 339 F CB 2.029 40.988 39.000 -0.069 0.000 1.190 339 F HN 0.207 nan 8.300 nan 0.000 0.533 340 S N 1.755 117.577 115.700 0.204 0.000 2.541 340 S HA 0.252 4.722 4.470 0.000 0.000 0.271 340 S C 0.255 175.091 174.600 0.393 0.000 1.133 340 S CA -0.896 57.448 58.200 0.240 0.000 0.876 340 S CB 1.730 64.989 63.200 0.098 0.000 1.105 340 S HN 0.780 nan 8.310 nan 0.000 0.470 341 K N 1.257 121.821 120.400 0.273 0.000 2.288 341 K HA 0.028 4.348 4.320 0.000 0.000 0.201 341 K C -0.075 176.562 176.600 0.061 0.000 1.048 341 K CA 1.370 57.732 56.287 0.126 0.000 0.956 341 K CB -0.043 32.218 32.500 -0.399 0.000 0.746 341 K HN 0.664 nan 8.250 nan 0.000 0.461 342 D N 0.603 121.034 120.400 0.051 0.000 2.368 342 D HA 0.011 4.651 4.640 0.000 0.000 0.218 342 D C 0.211 176.545 176.300 0.056 0.000 1.112 342 D CA 0.120 54.129 54.000 0.015 0.000 0.834 342 D CB 0.845 41.626 40.800 -0.032 0.000 0.953 342 D HN 0.175 nan 8.370 nan 0.000 0.505 343 S N -0.937 114.828 115.700 0.108 0.000 2.720 343 S HA 0.307 4.778 4.470 0.000 0.000 0.287 343 S C 0.588 175.235 174.600 0.079 0.000 1.168 343 S CA -0.683 57.550 58.200 0.055 0.000 0.832 343 S CB 2.390 65.580 63.200 -0.017 0.000 1.166 343 S HN -0.174 nan 8.310 nan 0.000 0.493 344 E N 0.630 120.829 120.200 -0.003 0.000 2.418 344 E HA 0.090 4.441 4.350 0.000 0.000 0.197 344 E C -0.415 175.981 176.600 -0.340 0.000 1.026 344 E CA 0.532 56.914 56.400 -0.029 0.000 0.862 344 E CB -0.179 29.512 29.700 -0.015 0.000 0.799 344 E HN 0.695 nan 8.360 nan 0.000 0.518 345 S N 1.131 116.586 115.700 -0.408 0.000 3.711 345 S HA -0.172 4.298 4.470 0.000 0.000 0.374 345 S C -0.249 174.009 174.600 -0.570 0.000 0.969 345 S CA 0.569 58.384 58.200 -0.640 0.000 1.198 345 S CB -1.192 61.281 63.200 -1.211 0.000 0.903 345 S HN 0.275 nan 8.310 nan 0.000 0.493 346 K N 0.879 121.074 120.400 -0.342 0.000 2.412 346 K HA 0.248 4.568 4.320 0.000 0.000 0.281 346 K C 0.301 176.714 176.600 -0.311 0.000 1.027 346 K CA -0.032 56.100 56.287 -0.258 0.000 0.989 346 K CB 0.355 32.760 32.500 -0.158 0.000 0.935 346 K HN 0.230 nan 8.250 nan 0.000 0.475 347 I N 3.097 123.496 120.570 -0.285 0.000 2.339 347 I HA 0.039 4.210 4.170 0.000 0.000 0.290 347 I C 0.949 176.989 176.117 -0.128 0.000 0.994 347 I CA -0.254 60.886 61.300 -0.267 0.000 1.191 347 I CB 1.014 38.847 38.000 -0.278 0.000 1.343 347 I HN 0.694 nan 8.210 nan 0.000 0.458 348 S N 6.402 122.039 115.700 -0.105 0.000 2.606 348 S HA 0.165 4.635 4.470 0.000 0.000 0.257 348 S C 1.247 175.847 174.600 -0.001 0.000 1.327 348 S CA -0.195 57.972 58.200 -0.055 0.000 0.984 348 S CB 1.321 64.495 63.200 -0.044 0.000 0.941 348 S HN 0.624 nan 8.310 nan 0.000 0.576 349 R N 0.562 121.062 120.500 -0.000 0.000 2.075 349 R HA -0.001 4.340 4.340 0.000 0.000 0.232 349 R C 2.310 178.678 176.300 0.113 0.000 1.126 349 R CA 2.001 58.121 56.100 0.035 0.000 0.963 349 R CB -0.871 29.439 30.300 0.017 0.000 0.858 349 R HN 0.886 nan 8.270 nan 0.000 0.435 350 E N -0.075 120.168 120.200 0.070 0.000 2.031 350 E HA -0.189 4.161 4.350 0.000 0.000 0.193 350 E C 1.255 177.900 176.600 0.075 0.000 0.994 350 E CA 1.641 58.082 56.400 0.069 0.000 0.800 350 E CB -0.088 29.633 29.700 0.036 0.000 0.752 350 E HN 0.354 nan 8.360 nan 0.000 0.447 351 D N -0.231 120.201 120.400 0.053 0.000 2.178 351 D HA -0.144 4.496 4.640 0.000 0.000 0.201 351 D C 1.587 177.939 176.300 0.086 0.000 0.980 351 D CA 0.558 54.582 54.000 0.039 0.000 0.842 351 D CB -0.316 40.465 40.800 -0.032 0.000 0.948 351 D HN 0.136 nan 8.370 nan 0.000 0.472 352 F N 0.864 120.805 119.950 -0.015 0.000 2.075 352 F HA -0.156 4.372 4.527 0.000 0.000 0.297 352 F C 2.332 178.151 175.800 0.031 0.000 1.113 352 F CA 1.299 59.304 58.000 0.009 0.000 1.218 352 F CB -0.196 38.791 39.000 -0.022 0.000 0.984 352 F HN -0.165 nan 8.300 nan 0.000 0.472 353 M N -0.443 119.287 119.600 0.217 0.000 2.080 353 M HA -0.270 4.210 4.480 0.000 0.000 0.260 353 M C 2.376 178.670 176.300 -0.011 0.000 1.068 353 M CA 2.051 57.417 55.300 0.110 0.000 1.109 353 M CB -0.761 31.930 32.600 0.151 0.000 1.342 353 M HN 0.092 nan 8.290 nan 0.000 0.405 354 S N 0.356 116.063 115.700 0.010 0.000 2.359 354 S HA -0.134 4.337 4.470 0.000 0.000 0.224 354 S C 2.000 176.578 174.600 -0.037 0.000 1.035 354 S CA 1.539 59.737 58.200 -0.003 0.000 1.018 354 S CB -0.940 62.272 63.200 0.021 0.000 0.876 354 S HN 0.706 nan 8.310 nan 0.000 0.448 355 G N 1.256 110.022 108.800 -0.056 0.000 2.476 355 G HA2 -0.232 3.729 3.960 0.000 0.000 0.218 355 G HA3 -0.232 3.729 3.960 0.000 0.000 0.218 355 G C 1.628 176.429 174.900 -0.164 0.000 1.164 355 G CA 1.330 46.384 45.100 -0.077 0.000 0.768 355 G HN 0.570 nan 8.290 nan 0.000 0.560 356 V N 0.244 119.983 119.914 -0.291 0.000 2.515 356 V HA 0.001 4.121 4.120 0.000 0.000 0.250 356 V C 2.512 178.524 176.094 -0.136 0.000 1.058 356 V CA 2.714 64.868 62.300 -0.242 0.000 1.064 356 V CB -0.381 31.273 31.823 -0.281 0.000 0.675 356 V HN 0.318 nan 8.190 nan 0.000 0.461 357 K N 0.091 120.426 120.400 -0.110 0.000 2.057 357 K HA -0.061 4.259 4.320 0.000 0.000 0.206 357 K C 1.831 178.377 176.600 -0.090 0.000 1.050 357 K CA 1.947 58.178 56.287 -0.094 0.000 0.935 357 K CB -0.619 31.846 32.500 -0.060 0.000 0.715 357 K HN 0.459 nan 8.250 nan 0.000 0.439 358 L N 0.672 121.859 121.223 -0.060 0.000 2.141 358 L HA -0.007 4.333 4.340 0.000 0.000 0.209 358 L C 2.033 178.883 176.870 -0.032 0.000 1.094 358 L CA 1.562 56.384 54.840 -0.031 0.000 0.763 358 L CB -0.791 41.265 42.059 -0.006 0.000 0.908 358 L HN 0.146 nan 8.230 nan 0.000 0.437 359 S N -1.517 114.150 115.700 -0.056 0.000 2.414 359 S HA 0.040 4.510 4.470 0.000 0.000 0.227 359 S C 0.994 175.557 174.600 -0.062 0.000 1.022 359 S CA 0.417 58.590 58.200 -0.045 0.000 0.958 359 S CB 0.218 63.373 63.200 -0.074 0.000 0.797 359 S HN 0.171 nan 8.310 nan 0.000 0.493 360 V N 3.052 122.890 119.914 -0.126 0.000 2.454 360 V HA 0.208 4.328 4.120 0.000 0.000 0.255 360 V C -1.765 174.145 176.094 -0.307 0.000 1.009 360 V CA -1.439 60.718 62.300 -0.238 0.000 1.149 360 V CB 0.642 32.295 31.823 -0.284 0.000 1.418 360 V HN 0.166 nan 8.190 nan 0.000 0.567 361 P HA -0.237 nan 4.420 nan 0.000 0.217 361 P C 1.283 178.085 177.300 -0.830 0.000 1.151 361 P CA 1.857 64.701 63.100 -0.427 0.000 0.849 361 P CB -0.005 31.547 31.700 -0.247 0.000 0.787 362 H N -0.736 117.969 119.070 -0.608 0.000 2.555 362 H HA 0.382 4.938 4.556 0.000 0.000 0.269 362 H C 0.654 175.823 175.328 -0.264 0.000 0.988 362 H CA 0.101 55.866 56.048 -0.471 0.000 1.178 362 H CB -0.815 28.856 29.762 -0.152 0.000 1.373 362 H HN 0.005 nan 8.280 nan 0.000 0.588 363 A N 2.425 124.865 122.820 -0.634 0.000 2.371 363 A HA 0.235 4.556 4.320 0.000 0.000 0.257 363 A C 0.437 177.882 177.584 -0.232 0.000 1.089 363 A CA -0.333 51.460 52.037 -0.406 0.000 0.794 363 A CB 0.361 19.123 19.000 -0.397 0.000 1.029 363 A HN 0.672 nan 8.150 nan 0.000 0.488 364 N N 1.034 119.644 118.700 -0.150 0.000 2.366 364 N HA 0.093 4.833 4.740 0.000 0.000 0.277 364 N C 0.079 175.541 175.510 -0.079 0.000 1.275 364 N CA -0.251 52.743 53.050 -0.094 0.000 0.964 364 N CB 0.148 38.598 38.487 -0.063 0.000 1.167 364 N HN 0.510 nan 8.380 nan 0.000 0.568 365 D N -0.815 119.557 120.400 -0.046 0.000 2.117 365 D HA -0.128 4.512 4.640 0.000 0.000 0.197 365 D C 1.746 178.040 176.300 -0.010 0.000 0.987 365 D CA 0.875 54.861 54.000 -0.025 0.000 0.829 365 D CB -0.183 40.611 40.800 -0.009 0.000 0.961 365 D HN 0.370 nan 8.370 nan 0.000 0.460 366 L N 1.242 122.457 121.223 -0.013 0.000 2.046 366 L HA -0.042 4.298 4.340 0.000 0.000 0.208 366 L C 2.284 179.158 176.870 0.006 0.000 1.077 366 L CA 1.965 56.808 54.840 0.004 0.000 0.747 366 L CB -0.930 41.124 42.059 -0.009 0.000 0.896 366 L HN 0.030 nan 8.230 nan 0.000 0.432 367 G N -0.563 108.212 108.800 -0.042 0.000 2.440 367 G HA2 -0.250 3.711 3.960 0.000 0.000 0.218 367 G HA3 -0.250 3.711 3.960 0.000 0.000 0.218 367 G C 1.586 176.477 174.900 -0.016 0.000 1.154 367 G CA 1.143 46.203 45.100 -0.065 0.000 0.767 367 G HN 0.443 nan 8.290 nan 0.000 0.552 368 L N 0.392 121.600 121.223 -0.025 0.000 2.093 368 L HA -0.039 4.301 4.340 0.000 0.000 0.208 368 L C 2.498 179.415 176.870 0.078 0.000 1.085 368 L CA 1.070 55.914 54.840 0.006 0.000 0.755 368 L CB -0.390 41.659 42.059 -0.017 0.000 0.904 368 L HN 0.074 nan 8.230 nan 0.000 0.435 369 D N 0.392 120.842 120.400 0.084 0.000 2.117 369 D HA -0.158 4.483 4.640 0.000 0.000 0.197 369 D C 2.259 178.655 176.300 0.161 0.000 0.987 369 D CA 1.530 55.604 54.000 0.124 0.000 0.829 369 D CB -0.059 40.799 40.800 0.095 0.000 0.961 369 D HN 0.308 nan 8.370 nan 0.000 0.460 370 A N 0.642 123.570 122.820 0.179 0.000 1.877 370 A HA -0.153 4.167 4.320 0.000 0.000 0.216 370 A C 2.560 180.301 177.584 0.262 0.000 1.186 370 A CA 1.448 53.657 52.037 0.286 0.000 0.620 370 A CB -0.820 18.421 19.000 0.402 0.000 0.822 370 A HN 0.148 nan 8.150 nan 0.000 0.443 371 V N -0.308 119.764 119.914 0.262 0.000 2.295 371 V HA -0.236 3.884 4.120 0.000 0.000 0.246 371 V C 2.752 178.959 176.094 0.188 0.000 1.049 371 V CA 2.499 64.899 62.300 0.167 0.000 1.024 371 V CB -1.366 30.548 31.823 0.152 0.000 0.648 371 V HN 0.610 nan 8.190 nan 0.000 0.447 372 T N 0.639 115.328 114.554 0.225 0.000 2.684 372 T HA -0.224 4.127 4.350 0.000 0.000 0.267 372 T C 1.913 176.775 174.700 0.271 0.000 1.036 372 T CA 2.024 64.331 62.100 0.344 0.000 1.148 372 T CB -0.414 68.667 68.868 0.356 0.000 0.863 372 T HN 0.313 nan 8.240 nan 0.000 0.436 373 L N 1.255 122.610 121.223 0.219 0.000 2.042 373 L HA -0.075 4.265 4.340 0.000 0.000 0.210 373 L C 2.445 179.328 176.870 0.021 0.000 1.076 373 L CA 1.847 56.804 54.840 0.195 0.000 0.749 373 L CB -0.828 41.326 42.059 0.159 0.000 0.893 373 L HN 0.137 nan 8.230 nan 0.000 0.432 374 Q N -1.464 118.259 119.800 -0.129 0.000 2.226 374 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 374 Q C 0.877 176.609 176.000 -0.447 0.000 0.975 374 Q CA 1.751 57.297 55.803 -0.428 0.000 0.866 374 Q CB -0.141 27.990 28.738 -1.012 0.000 0.915 374 Q HN 0.712 nan 8.270 nan 0.000 0.440 375 Y N -1.375 118.864 120.300 -0.101 0.000 2.612 375 Y HA 0.348 4.898 4.550 0.000 0.000 0.250 375 Y C -0.326 175.520 175.900 -0.091 0.000 1.175 375 Y CA -0.347 57.748 58.100 -0.008 0.000 1.205 375 Y CB 1.130 39.687 38.460 0.161 0.000 1.201 375 Y HN -0.189 nan 8.280 nan 0.000 0.532 376 T N 0.497 114.969 114.554 -0.136 0.000 2.823 376 T HA 0.127 4.477 4.350 0.000 0.000 0.279 376 T C -1.009 173.378 174.700 -0.522 0.000 0.998 376 T CA -0.664 61.133 62.100 -0.505 0.000 0.994 376 T CB 1.330 69.681 68.868 -0.863 0.000 0.960 376 T HN -0.028 nan 8.240 nan 0.000 0.448 377 D N 1.733 121.832 120.400 -0.502 0.000 2.411 377 D HA 0.135 4.775 4.640 0.000 0.000 0.225 377 D C -0.051 176.025 176.300 -0.373 0.000 1.156 377 D CA -0.754 53.059 54.000 -0.311 0.000 0.874 377 D CB 0.384 41.064 40.800 -0.200 0.000 1.034 377 D HN 0.616 nan 8.370 nan 0.000 0.502 378 W N 3.132 124.390 121.300 -0.070 0.000 2.961 378 W HA 0.062 4.722 4.660 0.000 0.000 0.240 378 W C 1.783 178.271 176.519 -0.051 0.000 1.305 378 W CA -0.149 57.159 57.345 -0.062 0.000 1.465 378 W CB 0.129 29.557 29.460 -0.052 0.000 1.135 378 W HN 0.381 nan 8.180 nan 0.000 0.688 379 M N -0.803 118.855 119.600 0.097 0.000 2.428 379 M HA 0.077 4.557 4.480 0.000 0.000 0.239 379 M C 0.006 176.316 176.300 0.017 0.000 1.121 379 M CA 0.980 56.318 55.300 0.063 0.000 1.019 379 M CB 0.329 32.947 32.600 0.030 0.000 1.485 379 M HN -0.218 nan 8.290 nan 0.000 0.484 380 D N 0.346 120.725 120.400 -0.036 0.000 3.671 380 D HA -0.010 4.630 4.640 0.000 0.000 0.291 380 D C 0.261 176.466 176.300 -0.158 0.000 1.373 380 D CA 0.087 54.045 54.000 -0.070 0.000 0.753 380 D CB 0.267 41.026 40.800 -0.067 0.000 1.338 380 D HN 0.228 nan 8.370 nan 0.000 0.690 381 D N -0.876 119.411 120.400 -0.189 0.000 2.350 381 D HA -0.107 4.534 4.640 0.000 0.000 0.216 381 D C 0.487 176.634 176.300 -0.256 0.000 0.968 381 D CA 0.198 53.976 54.000 -0.370 0.000 0.894 381 D CB 0.207 40.708 40.800 -0.497 0.000 0.909 381 D HN 0.108 nan 8.370 nan 0.000 0.520 382 N N 0.598 119.216 118.700 -0.136 0.000 2.251 382 N HA -0.003 4.737 4.740 0.000 0.000 0.217 382 N C -0.447 175.003 175.510 -0.101 0.000 1.124 382 N CA -0.137 52.852 53.050 -0.102 0.000 0.843 382 N CB -0.058 38.398 38.487 -0.050 0.000 1.024 382 N HN 0.362 nan 8.380 nan 0.000 0.501 383 N N -0.014 118.612 118.700 -0.123 0.000 2.415 383 N HA 0.113 4.853 4.740 0.000 0.000 0.250 383 N C 1.477 176.922 175.510 -0.107 0.000 1.127 383 N CA -0.313 52.678 53.050 -0.099 0.000 0.945 383 N CB 0.601 39.032 38.487 -0.093 0.000 1.196 383 N HN 0.059 nan 8.380 nan 0.000 0.499 384 G N 3.613 112.357 108.800 -0.094 0.000 2.469 384 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 384 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 384 G C 1.312 176.157 174.900 -0.091 0.000 1.136 384 G CA 0.638 45.676 45.100 -0.105 0.000 0.759 384 G HN 0.649 nan 8.290 nan 0.000 0.562 385 I N 0.164 120.696 120.570 -0.062 0.000 2.179 385 I HA -0.155 4.016 4.170 0.000 0.000 0.242 385 I C 2.818 178.937 176.117 0.004 0.000 1.088 385 I CA 1.307 62.593 61.300 -0.023 0.000 1.357 385 I CB -0.196 37.803 38.000 -0.002 0.000 1.051 385 I HN 0.145 nan 8.210 nan 0.000 0.409 386 K N 0.454 120.840 120.400 -0.024 0.000 2.148 386 K HA -0.130 4.190 4.320 0.000 0.000 0.204 386 K C 1.875 178.467 176.600 -0.015 0.000 1.050 386 K CA 1.127 57.402 56.287 -0.020 0.000 0.942 386 K CB -0.162 32.292 32.500 -0.077 0.000 0.724 386 K HN 0.263 nan 8.250 nan 0.000 0.446 387 N N 0.920 119.582 118.700 -0.065 0.000 2.142 387 N HA -0.152 4.588 4.740 0.000 0.000 0.186 387 N C 1.693 177.331 175.510 0.214 0.000 1.023 387 N CA 0.971 54.011 53.050 -0.018 0.000 0.852 387 N CB -0.134 38.305 38.487 -0.080 0.000 0.998 387 N HN 0.196 nan 8.380 nan 0.000 0.424 388 R N 1.024 121.581 120.500 0.096 0.000 2.070 388 R HA -0.100 4.240 4.340 0.000 0.000 0.233 388 R C 0.846 177.317 176.300 0.285 0.000 1.137 388 R CA 1.615 57.801 56.100 0.143 0.000 0.945 388 R CB -0.128 30.157 30.300 -0.026 0.000 0.845 388 R HN 0.066 nan 8.270 nan 0.000 0.430 389 D N -0.438 120.097 120.400 0.226 0.000 2.178 389 D HA -0.097 4.543 4.640 0.000 0.000 0.201 389 D C 1.692 178.152 176.300 0.266 0.000 0.980 389 D CA 1.431 55.580 54.000 0.248 0.000 0.842 389 D CB -0.468 40.446 40.800 0.191 0.000 0.948 389 D HN 0.544 nan 8.370 nan 0.000 0.472 390 G N 0.595 109.565 108.800 0.284 0.000 2.404 390 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 390 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 390 G C 1.576 176.659 174.900 0.305 0.000 1.174 390 G CA 0.209 45.531 45.100 0.370 0.000 0.780 390 G HN 0.187 nan 8.290 nan 0.000 0.537 391 L N 0.958 122.378 121.223 0.328 0.000 2.046 391 L HA -0.022 4.319 4.340 0.000 0.000 0.208 391 L C 2.331 179.262 176.870 0.102 0.000 1.077 391 L CA 1.892 56.805 54.840 0.121 0.000 0.747 391 L CB -0.520 41.669 42.059 0.217 0.000 0.896 391 L HN 0.166 nan 8.230 nan 0.000 0.432 392 D N -0.629 119.896 120.400 0.209 0.000 2.104 392 D HA -0.211 4.429 4.640 0.000 0.000 0.194 392 D C 1.696 178.085 176.300 0.148 0.000 0.994 392 D CA 1.318 55.437 54.000 0.199 0.000 0.830 392 D CB 0.049 41.025 40.800 0.292 0.000 0.959 392 D HN 0.343 nan 8.370 nan 0.000 0.452 393 D N -0.198 120.300 120.400 0.163 0.000 2.117 393 D HA -0.091 4.549 4.640 0.000 0.000 0.198 393 D C 2.368 178.672 176.300 0.007 0.000 0.982 393 D CA 0.362 54.470 54.000 0.179 0.000 0.828 393 D CB -0.171 40.848 40.800 0.365 0.000 0.967 393 D HN 0.353 nan 8.370 nan 0.000 0.464 394 I N 0.632 121.054 120.570 -0.246 0.000 2.127 394 I HA -0.266 3.904 4.170 0.000 0.000 0.241 394 I C 2.489 178.466 176.117 -0.234 0.000 1.075 394 I CA 0.789 61.877 61.300 -0.355 0.000 1.334 394 I CB -0.259 37.534 38.000 -0.344 0.000 1.040 394 I HN -0.111 nan 8.210 nan 0.000 0.405 395 V N 0.971 120.814 119.914 -0.119 0.000 2.255 395 V HA -0.249 3.871 4.120 0.000 0.000 0.247 395 V C 2.563 178.588 176.094 -0.115 0.000 1.051 395 V CA 2.311 64.565 62.300 -0.077 0.000 1.018 395 V CB -1.541 30.315 31.823 0.054 0.000 0.641 395 V HN 0.600 nan 8.190 nan 0.000 0.445 396 G N -0.503 108.289 108.800 -0.013 0.000 2.418 396 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 396 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 396 G C 1.250 176.101 174.900 -0.081 0.000 1.158 396 G CA 1.000 46.110 45.100 0.018 0.000 0.771 396 G HN 0.499 nan 8.290 nan 0.000 0.545 397 D N -0.195 120.144 120.400 -0.102 0.000 2.097 397 D HA -0.097 4.543 4.640 0.000 0.000 0.195 397 D C 2.092 178.082 176.300 -0.516 0.000 0.989 397 D CA 1.343 55.249 54.000 -0.157 0.000 0.827 397 D CB -0.435 40.397 40.800 0.052 0.000 0.966 397 D HN 0.451 nan 8.370 nan 0.000 0.456 398 H N 0.540 118.987 119.070 -1.038 0.000 2.395 398 H HA 0.066 4.622 4.556 0.000 0.000 0.299 398 H C 1.503 176.465 175.328 -0.611 0.000 1.070 398 H CA 1.505 56.830 56.048 -1.204 0.000 1.356 398 H CB 0.144 28.945 29.762 -1.602 0.000 1.401 398 H HN -0.007 nan 8.280 nan 0.000 0.524 399 N N -0.734 117.525 118.700 -0.734 0.000 2.402 399 N HA -0.002 4.738 4.740 0.000 0.000 0.174 399 N C 1.247 176.511 175.510 -0.411 0.000 1.027 399 N CA 1.120 53.697 53.050 -0.789 0.000 0.891 399 N CB 0.960 38.546 38.487 -1.502 0.000 1.016 399 N HN 0.258 nan 8.380 nan 0.000 0.439 400 V N 0.789 120.540 119.914 -0.272 0.000 3.264 400 V HA 0.156 4.276 4.120 0.000 0.000 0.217 400 V C 2.172 178.245 176.094 -0.035 0.000 1.236 400 V CA -0.018 62.250 62.300 -0.054 0.000 1.287 400 V CB -0.035 31.838 31.823 0.084 0.000 1.241 400 V HN -0.042 nan 8.190 nan 0.000 0.518 401 I N 0.642 121.207 120.570 -0.009 0.000 2.099 401 I HA -0.318 3.853 4.170 0.000 0.000 0.239 401 I C 2.580 178.712 176.117 0.025 0.000 1.066 401 I CA 2.034 63.354 61.300 0.034 0.000 1.324 401 I CB -0.439 37.620 38.000 0.097 0.000 1.037 401 I HN 0.403 nan 8.210 nan 0.000 0.401 402 c N 0.493 119.099 118.600 0.010 0.000 2.440 402 c HA -0.029 4.541 4.570 0.000 0.000 0.278 402 c C 0.210 174.333 174.090 0.055 0.000 1.295 402 c CA 0.584 56.958 56.329 0.076 0.000 1.738 402 c CB -1.792 40.812 42.510 0.157 0.000 1.987 402 c HN 0.367 nan 8.230 nan 0.000 0.492 403 P HA -0.084 nan 4.420 nan 0.000 0.217 403 P C 1.751 179.078 177.300 0.044 0.000 1.151 403 P CA 1.034 64.111 63.100 -0.039 0.000 0.828 403 P CB -0.169 31.416 31.700 -0.192 0.000 0.788 404 L N -1.769 119.459 121.223 0.008 0.000 2.056 404 L HA -0.150 4.190 4.340 0.000 0.000 0.207 404 L C 2.123 179.033 176.870 0.067 0.000 1.078 404 L CA 1.668 56.525 54.840 0.029 0.000 0.749 404 L CB -0.534 41.513 42.059 -0.019 0.000 0.901 404 L HN -0.106 nan 8.230 nan 0.000 0.433 405 M N -0.957 118.673 119.600 0.051 0.000 2.117 405 M HA -0.240 4.240 4.480 0.000 0.000 0.262 405 M C 2.298 178.652 176.300 0.091 0.000 1.065 405 M CA 1.703 57.027 55.300 0.039 0.000 1.114 405 M CB -1.641 31.004 32.600 0.075 0.000 1.361 405 M HN 0.421 nan 8.290 nan 0.000 0.408 406 H N -0.161 118.941 119.070 0.054 0.000 2.353 406 H HA -0.193 4.364 4.556 0.000 0.000 0.300 406 H C 1.830 177.194 175.328 0.060 0.000 1.090 406 H CA 2.102 58.188 56.048 0.062 0.000 1.327 406 H CB -0.402 29.395 29.762 0.058 0.000 1.383 406 H HN 0.255 nan 8.280 nan 0.000 0.508 407 F N -0.024 119.869 119.950 -0.095 0.000 2.102 407 F HA -0.163 4.364 4.527 0.000 0.000 0.298 407 F C 2.405 178.109 175.800 -0.160 0.000 1.105 407 F CA 1.405 59.301 58.000 -0.172 0.000 1.239 407 F CB -0.878 38.032 39.000 -0.150 0.000 0.991 407 F HN 0.083 nan 8.300 nan 0.000 0.474 408 V N 1.088 120.900 119.914 -0.171 0.000 2.332 408 V HA -0.326 3.794 4.120 0.000 0.000 0.248 408 V C 2.317 178.259 176.094 -0.254 0.000 1.055 408 V CA 2.350 64.453 62.300 -0.329 0.000 1.038 408 V CB -0.657 30.896 31.823 -0.451 0.000 0.651 408 V HN 0.422 nan 8.190 nan 0.000 0.450 409 N N -0.310 118.315 118.700 -0.124 0.000 2.142 409 N HA -0.127 4.614 4.740 0.000 0.000 0.186 409 N C 1.855 177.336 175.510 -0.048 0.000 1.023 409 N CA 1.061 54.135 53.050 0.040 0.000 0.852 409 N CB -0.163 38.380 38.487 0.093 0.000 0.998 409 N HN 0.391 nan 8.380 nan 0.000 0.424 410 K N 0.514 120.794 120.400 -0.200 0.000 2.057 410 K HA -0.117 4.204 4.320 0.000 0.000 0.206 410 K C 1.938 178.476 176.600 -0.104 0.000 1.050 410 K CA 0.676 56.863 56.287 -0.167 0.000 0.935 410 K CB -0.724 31.598 32.500 -0.297 0.000 0.715 410 K HN 0.296 nan 8.250 nan 0.000 0.439 411 Y N 2.309 122.324 120.300 -0.474 0.000 2.242 411 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 411 Y C 2.092 177.970 175.900 -0.037 0.000 1.137 411 Y CA 1.696 59.528 58.100 -0.447 0.000 1.181 411 Y CB -0.228 37.672 38.460 -0.932 0.000 0.989 411 Y HN 0.023 nan 8.280 nan 0.000 0.527 412 T N 0.694 115.269 114.554 0.034 0.000 2.962 412 T HA -0.141 4.209 4.350 0.000 0.000 0.270 412 T C 1.781 176.471 174.700 -0.017 0.000 1.088 412 T CA 1.130 63.279 62.100 0.082 0.000 1.127 412 T CB -0.090 68.928 68.868 0.250 0.000 0.883 412 T HN 0.268 nan 8.240 nan 0.000 0.493 413 K N 0.463 120.827 120.400 -0.060 0.000 2.063 413 K HA -0.038 4.282 4.320 0.000 0.000 0.208 413 K C 1.645 178.004 176.600 -0.402 0.000 1.048 413 K CA 1.361 57.502 56.287 -0.242 0.000 0.928 413 K CB -0.281 32.026 32.500 -0.323 0.000 0.713 413 K HN 0.421 nan 8.250 nan 0.000 0.442 414 F N 0.328 120.217 119.950 -0.102 0.000 2.559 414 F HA 0.181 4.708 4.527 0.000 0.000 0.286 414 F C 1.757 177.416 175.800 -0.235 0.000 1.108 414 F CA -0.130 57.763 58.000 -0.179 0.000 1.436 414 F CB -0.576 38.256 39.000 -0.281 0.000 1.130 414 F HN -0.044 nan 8.300 nan 0.000 0.584 415 G N 0.021 108.701 108.800 -0.200 0.000 2.785 415 G HA2 -0.158 3.803 3.960 0.000 0.000 0.256 415 G HA3 -0.158 3.803 3.960 0.000 0.000 0.256 415 G C 0.485 175.394 174.900 0.014 0.000 1.248 415 G CA -0.146 44.810 45.100 -0.240 0.000 0.914 415 G HN 0.340 nan 8.290 nan 0.000 0.580 416 N N -0.299 118.478 118.700 0.128 0.000 2.282 416 N HA 0.287 5.027 4.740 0.000 0.000 0.240 416 N C 0.218 175.807 175.510 0.133 0.000 1.182 416 N CA 0.465 53.577 53.050 0.104 0.000 0.874 416 N CB 0.359 38.900 38.487 0.090 0.000 1.126 416 N HN 0.937 nan 8.380 nan 0.000 0.516 417 G N 0.794 109.688 108.800 0.157 0.000 2.163 417 G HA2 -0.017 3.943 3.960 0.000 0.000 0.191 417 G HA3 -0.017 3.943 3.960 0.000 0.000 0.191 417 G C -1.221 173.737 174.900 0.098 0.000 1.517 417 G CA -0.725 44.436 45.100 0.101 0.000 1.024 417 G HN 0.024 nan 8.290 nan 0.000 0.664 418 T N 2.016 116.519 114.554 -0.086 0.000 2.807 418 T HA 0.656 5.007 4.350 0.000 0.000 0.279 418 T C -1.059 173.419 174.700 -0.370 0.000 0.993 418 T CA -0.213 61.842 62.100 -0.076 0.000 0.970 418 T CB 1.094 70.006 68.868 0.073 0.000 0.950 418 T HN 0.385 nan 8.240 nan 0.000 0.441 419 Y N 2.411 122.641 120.300 -0.117 0.000 2.326 419 Y HA 0.600 5.150 4.550 0.000 0.000 0.329 419 Y C -0.424 175.513 175.900 0.062 0.000 0.973 419 Y CA -1.133 56.837 58.100 -0.217 0.000 1.162 419 Y CB 1.374 39.256 38.460 -0.964 0.000 1.147 419 Y HN 0.422 nan 8.280 nan 0.000 0.456 420 L N 6.085 127.646 121.223 0.563 0.000 2.317 420 L HA 0.621 4.961 4.340 0.000 0.000 0.281 420 L C -1.199 176.132 176.870 0.769 0.000 1.024 420 L CA -1.037 54.086 54.840 0.471 0.000 0.810 420 L CB 0.626 42.831 42.059 0.244 0.000 1.240 420 L HN 0.516 nan 8.230 nan 0.000 0.427 421 Y N 3.185 123.809 120.300 0.540 0.000 2.576 421 Y HA 0.722 5.272 4.550 0.000 0.000 0.346 421 Y C -1.771 174.397 175.900 0.446 0.000 1.018 421 Y CA -2.183 56.180 58.100 0.438 0.000 1.050 421 Y CB 1.335 40.017 38.460 0.371 0.000 1.280 421 Y HN 0.538 nan 8.280 nan 0.000 0.474 422 F N 4.355 124.647 119.950 0.570 0.000 2.646 422 F HA 0.452 4.980 4.527 0.000 0.000 0.364 422 F C -1.935 174.165 175.800 0.499 0.000 1.137 422 F CA -1.591 56.663 58.000 0.423 0.000 1.085 422 F CB 0.595 39.803 39.000 0.346 0.000 1.331 422 F HN 0.585 nan 8.300 nan 0.000 0.472 423 F N 7.690 127.696 119.950 0.094 0.000 2.444 423 F HA 0.284 4.811 4.527 0.000 0.000 0.360 423 F C 0.235 175.892 175.800 -0.238 0.000 1.106 423 F CA -0.089 57.918 58.000 0.012 0.000 1.170 423 F CB 0.559 39.635 39.000 0.127 0.000 1.113 423 F HN 0.553 nan 8.300 nan 0.000 0.521 424 N N 3.253 121.657 118.700 -0.494 0.000 2.466 424 N HA 0.077 4.817 4.740 0.000 0.000 0.272 424 N C -1.157 174.161 175.510 -0.319 0.000 1.455 424 N CA -0.541 52.328 53.050 -0.301 0.000 0.875 424 N CB -0.696 37.799 38.487 0.014 0.000 1.372 424 N HN 0.643 nan 8.380 nan 0.000 0.492 425 H N 0.672 119.265 119.070 -0.795 0.000 2.517 425 H HA 0.432 4.988 4.556 0.000 0.000 0.317 425 H C -0.243 174.973 175.328 -0.186 0.000 1.080 425 H CA -0.645 55.108 56.048 -0.491 0.000 1.301 425 H CB 0.958 30.320 29.762 -0.667 0.000 1.425 425 H HN 0.173 nan 8.280 nan 0.000 0.471 426 R N 4.372 124.482 120.500 -0.649 0.000 2.202 426 R HA 0.501 4.841 4.340 0.000 0.000 0.334 426 R C -0.673 175.310 176.300 -0.527 0.000 1.036 426 R CA -0.571 55.309 56.100 -0.367 0.000 0.878 426 R CB 0.355 30.533 30.300 -0.202 0.000 1.067 426 R HN 0.779 nan 8.270 nan 0.000 0.457 427 A N 3.460 126.269 122.820 -0.018 0.000 2.546 427 A HA 0.032 4.353 4.320 0.000 0.000 0.243 427 A C 1.309 178.952 177.584 0.099 0.000 1.063 427 A CA 0.437 52.653 52.037 0.298 0.000 0.757 427 A CB 0.232 19.529 19.000 0.495 0.000 0.991 427 A HN 1.057 nan 8.150 nan 0.000 0.503 428 S N 1.951 117.742 115.700 0.152 0.000 2.419 428 S HA -0.200 4.270 4.470 0.000 0.000 0.235 428 S C 0.990 175.573 174.600 -0.027 0.000 1.019 428 S CA 1.326 59.557 58.200 0.051 0.000 0.982 428 S CB -0.441 62.813 63.200 0.091 0.000 0.789 428 S HN 0.955 nan 8.310 nan 0.000 0.490 429 N N 0.746 119.393 118.700 -0.088 0.000 2.238 429 N HA 0.231 4.971 4.740 0.000 0.000 0.222 429 N C -0.057 175.370 175.510 -0.137 0.000 1.133 429 N CA -0.353 52.601 53.050 -0.161 0.000 0.854 429 N CB -0.647 37.650 38.487 -0.316 0.000 1.041 429 N HN 0.393 nan 8.380 nan 0.000 0.510 430 L N 0.996 122.173 121.223 -0.077 0.000 2.514 430 L HA -0.022 4.318 4.340 0.000 0.000 0.280 430 L C 1.451 178.260 176.870 -0.101 0.000 1.223 430 L CA -0.247 54.549 54.840 -0.073 0.000 0.864 430 L CB 0.976 42.999 42.059 -0.060 0.000 1.118 430 L HN 0.113 nan 8.230 nan 0.000 0.494 431 V N -1.442 118.373 119.914 -0.165 0.000 3.650 431 V HA 0.080 4.201 4.120 0.000 0.000 0.271 431 V C 0.421 176.430 176.094 -0.142 0.000 1.281 431 V CA -0.510 61.669 62.300 -0.203 0.000 1.120 431 V CB -0.878 30.705 31.823 -0.400 0.000 0.856 431 V HN 0.577 nan 8.190 nan 0.000 0.443 432 W N 1.703 122.953 121.300 -0.083 0.000 2.183 432 W HA 0.557 5.218 4.660 0.000 0.000 0.348 432 W C -1.878 174.513 176.519 -0.213 0.000 1.257 432 W CA -2.079 55.172 57.345 -0.156 0.000 1.324 432 W CB -0.060 29.199 29.460 -0.335 0.000 1.144 432 W HN -0.056 nan 8.180 nan 0.000 0.622 433 P HA -0.003 nan 4.420 nan 0.000 0.274 433 P C 0.371 177.587 177.300 -0.140 0.000 1.231 433 P CA 0.165 63.232 63.100 -0.054 0.000 0.790 433 P CB 1.083 32.801 31.700 0.030 0.000 0.951 434 E N 1.686 121.875 120.200 -0.017 0.000 2.086 434 E HA -0.191 4.160 4.350 0.000 0.000 0.200 434 E C 1.858 178.472 176.600 0.023 0.000 1.012 434 E CA 1.787 58.190 56.400 0.006 0.000 0.812 434 E CB -0.411 29.329 29.700 0.066 0.000 0.743 434 E HN 0.722 nan 8.360 nan 0.000 0.453 435 W N 0.372 121.702 121.300 0.050 0.000 2.341 435 W HA -0.156 4.505 4.660 0.000 0.000 0.283 435 W C 1.518 178.080 176.519 0.072 0.000 1.215 435 W CA 0.618 58.005 57.345 0.070 0.000 1.211 435 W CB -0.769 28.745 29.460 0.090 0.000 1.131 435 W HN 0.004 nan 8.180 nan 0.000 0.552 436 M N 1.360 120.484 119.600 -0.793 0.000 2.562 436 M HA 0.115 4.596 4.480 0.000 0.000 0.257 436 M C 1.745 177.855 176.300 -0.318 0.000 1.099 436 M CA 1.449 56.228 55.300 -0.868 0.000 1.099 436 M CB -0.724 31.194 32.600 -1.136 0.000 1.427 436 M HN 0.166 nan 8.290 nan 0.000 0.489 437 G N 0.555 109.258 108.800 -0.163 0.000 2.582 437 G HA2 -0.293 3.667 3.960 0.000 0.000 0.288 437 G HA3 -0.293 3.667 3.960 0.000 0.000 0.288 437 G C -0.175 174.693 174.900 -0.053 0.000 1.247 437 G CA -0.240 44.828 45.100 -0.054 0.000 0.972 437 G HN 0.206 nan 8.290 nan 0.000 0.557 438 V N 1.909 121.837 119.914 0.023 0.000 2.326 438 V HA 0.321 4.441 4.120 0.000 0.000 0.249 438 V C 1.199 177.378 176.094 0.140 0.000 1.114 438 V CA 0.151 62.513 62.300 0.104 0.000 1.028 438 V CB -0.432 31.467 31.823 0.127 0.000 1.170 438 V HN 0.517 nan 8.190 nan 0.000 0.494 439 I N 3.555 124.183 120.570 0.096 0.000 2.836 439 I HA 0.090 4.260 4.170 0.000 0.000 0.285 439 I C 1.189 177.533 176.117 0.380 0.000 1.174 439 I CA -0.233 61.154 61.300 0.146 0.000 1.405 439 I CB 0.177 38.117 38.000 -0.101 0.000 1.385 439 I HN 0.571 nan 8.210 nan 0.000 0.594 440 H N 4.711 123.928 119.070 0.246 0.000 3.070 440 H HA -0.015 4.542 4.556 0.000 0.000 0.313 440 H C 1.088 176.513 175.328 0.161 0.000 0.997 440 H CA 1.222 57.382 56.048 0.188 0.000 1.438 440 H CB 0.433 30.264 29.762 0.115 0.000 1.455 440 H HN 0.887 nan 8.280 nan 0.000 0.575 441 G N 4.617 113.253 108.800 -0.273 0.000 2.199 441 G HA2 -0.334 3.627 3.960 0.000 0.000 0.254 441 G HA3 -0.334 3.627 3.960 0.000 0.000 0.254 441 G C 0.468 175.362 174.900 -0.010 0.000 0.982 441 G CA 0.422 45.365 45.100 -0.262 0.000 0.632 441 G HN 0.669 nan 8.290 nan 0.000 0.529 442 Y N 1.530 121.951 120.300 0.201 0.000 2.490 442 Y HA 0.193 4.743 4.550 0.000 0.000 0.281 442 Y C 2.428 178.442 175.900 0.191 0.000 1.174 442 Y CA 1.151 59.423 58.100 0.285 0.000 1.295 442 Y CB 0.361 39.027 38.460 0.343 0.000 1.062 442 Y HN 0.531 nan 8.280 nan 0.000 0.522 443 E N 0.243 120.401 120.200 -0.068 0.000 2.385 443 E HA -0.077 4.273 4.350 0.000 0.000 0.194 443 E C 1.692 178.247 176.600 -0.076 0.000 1.013 443 E CA 0.620 56.683 56.400 -0.561 0.000 0.866 443 E CB -0.454 28.564 29.700 -1.137 0.000 0.832 443 E HN 0.522 nan 8.360 nan 0.000 0.500 444 I N 2.806 123.416 120.570 0.065 0.000 2.118 444 I HA -0.342 3.828 4.170 0.000 0.000 0.241 444 I C 2.677 178.870 176.117 0.126 0.000 1.070 444 I CA 2.305 63.699 61.300 0.157 0.000 1.327 444 I CB -0.546 37.591 38.000 0.229 0.000 1.034 444 I HN 0.220 nan 8.210 nan 0.000 0.405 445 E N 0.823 121.047 120.200 0.040 0.000 2.219 445 E HA -0.252 4.098 4.350 0.000 0.000 0.198 445 E C 2.043 178.509 176.600 -0.224 0.000 0.998 445 E CA 1.592 57.933 56.400 -0.099 0.000 0.818 445 E CB -0.571 29.058 29.700 -0.119 0.000 0.741 445 E HN 0.469 nan 8.360 nan 0.000 0.477 446 F N 1.054 120.949 119.950 -0.092 0.000 2.234 446 F HA -0.036 4.491 4.527 0.000 0.000 0.296 446 F C 2.394 178.046 175.800 -0.245 0.000 1.089 446 F CA 0.568 58.470 58.000 -0.164 0.000 1.343 446 F CB -0.139 38.817 39.000 -0.074 0.000 1.040 446 F HN -0.140 nan 8.300 nan 0.000 0.498 447 V N -0.926 118.924 119.914 -0.107 0.000 2.427 447 V HA -0.273 3.847 4.120 0.000 0.000 0.248 447 V C 1.670 177.574 176.094 -0.316 0.000 1.051 447 V CA 1.629 63.715 62.300 -0.355 0.000 1.048 447 V CB -0.638 30.985 31.823 -0.333 0.000 0.666 447 V HN 0.213 nan 8.190 nan 0.000 0.456 448 F N 0.341 120.171 119.950 -0.200 0.000 2.765 448 F HA 0.404 4.931 4.527 0.001 0.000 0.302 448 F C 1.823 177.543 175.800 -0.134 0.000 1.111 448 F CA 0.627 58.535 58.000 -0.152 0.000 1.359 448 F CB -0.222 38.674 39.000 -0.174 0.000 1.097 448 F HN 0.256 nan 8.300 nan 0.000 0.577 449 G N 0.362 109.085 108.800 -0.129 0.000 2.147 449 G HA2 -0.284 3.677 3.960 0.000 0.000 0.244 449 G HA3 -0.284 3.677 3.960 0.000 0.000 0.244 449 G C 1.181 175.755 174.900 -0.544 0.000 1.005 449 G CA 0.393 45.333 45.100 -0.266 0.000 0.713 449 G HN 0.375 nan 8.290 nan 0.000 0.515 450 L N -0.471 120.412 121.223 -0.567 0.000 2.127 450 L HA -0.077 4.263 4.340 0.000 0.000 0.211 450 L C 0.079 176.441 176.870 -0.847 0.000 1.089 450 L CA 2.052 56.484 54.840 -0.679 0.000 0.757 450 L CB -1.341 40.460 42.059 -0.431 0.000 0.899 450 L HN 0.211 nan 8.230 nan 0.000 0.434 451 P HA -0.116 nan 4.420 nan 0.000 0.228 451 P C 1.726 178.727 177.300 -0.498 0.000 1.151 451 P CA 0.943 63.324 63.100 -1.197 0.000 0.770 451 P CB 0.087 31.120 31.700 -1.112 0.000 0.786 452 L N -1.491 119.459 121.223 -0.455 0.000 2.492 452 L HA 0.053 4.394 4.340 0.000 0.000 0.223 452 L C 1.099 177.821 176.870 -0.247 0.000 1.132 452 L CA 0.423 55.092 54.840 -0.285 0.000 0.850 452 L CB -0.396 41.520 42.059 -0.238 0.000 0.966 452 L HN -0.069 nan 8.230 nan 0.000 0.454 453 V N 0.010 119.732 119.914 -0.319 0.000 2.406 453 V HA 0.166 4.286 4.120 0.000 0.000 0.272 453 V C 1.382 177.423 176.094 -0.088 0.000 1.043 453 V CA -0.553 61.629 62.300 -0.196 0.000 0.915 453 V CB 1.389 33.075 31.823 -0.229 0.000 0.988 453 V HN 0.120 nan 8.190 nan 0.000 0.466 454 K N 4.307 124.674 120.400 -0.054 0.000 2.103 454 K HA -0.126 4.194 4.320 0.000 0.000 0.207 454 K C 1.780 178.372 176.600 -0.014 0.000 1.048 454 K CA 1.977 58.250 56.287 -0.023 0.000 0.930 454 K CB -0.111 32.376 32.500 -0.023 0.000 0.716 454 K HN 1.001 nan 8.250 nan 0.000 0.444 455 E N 0.938 121.124 120.200 -0.022 0.000 2.516 455 E HA -0.107 4.243 4.350 0.000 0.000 0.199 455 E C 1.511 178.094 176.600 -0.029 0.000 1.069 455 E CA 0.442 56.827 56.400 -0.025 0.000 0.876 455 E CB -0.247 29.437 29.700 -0.027 0.000 0.843 455 E HN 0.298 nan 8.360 nan 0.000 0.530 456 L N 0.568 121.788 121.223 -0.005 0.000 2.567 456 L HA 0.055 4.395 4.340 0.000 0.000 0.225 456 L C -0.123 176.709 176.870 -0.064 0.000 1.119 456 L CA -0.124 54.718 54.840 0.003 0.000 0.871 456 L CB -0.419 41.717 42.059 0.128 0.000 1.036 456 L HN -0.006 nan 8.230 nan 0.000 0.459 457 N N -0.611 118.075 118.700 -0.023 0.000 2.738 457 N HA -0.234 4.507 4.740 0.000 0.000 0.249 457 N C -0.672 174.776 175.510 -0.104 0.000 1.047 457 N CA 0.895 53.908 53.050 -0.062 0.000 0.707 457 N CB -1.771 36.654 38.487 -0.102 0.000 0.937 457 N HN 0.282 nan 8.380 nan 0.000 0.545 458 Y N 0.168 120.434 120.300 -0.057 0.000 2.374 458 Y HA 0.358 4.908 4.550 0.000 0.000 0.322 458 Y C 1.781 177.679 175.900 -0.004 0.000 1.275 458 Y CA -0.219 57.863 58.100 -0.030 0.000 1.307 458 Y CB 0.679 39.090 38.460 -0.082 0.000 1.282 458 Y HN 0.111 nan 8.280 nan 0.000 0.509 459 T N -1.876 112.804 114.554 0.209 0.000 2.849 459 T HA 0.446 4.797 4.350 0.000 0.000 0.284 459 T C 1.103 175.868 174.700 0.108 0.000 1.004 459 T CA -0.288 61.889 62.100 0.129 0.000 1.021 459 T CB 1.323 70.267 68.868 0.127 0.000 1.013 459 T HN 0.758 nan 8.240 nan 0.000 0.527 460 A N 1.070 123.928 122.820 0.063 0.000 2.019 460 A HA -0.058 4.262 4.320 0.000 0.000 0.219 460 A C 2.211 179.813 177.584 0.030 0.000 1.164 460 A CA 1.149 53.208 52.037 0.036 0.000 0.644 460 A CB -0.633 18.380 19.000 0.022 0.000 0.805 460 A HN 0.922 nan 8.150 nan 0.000 0.449 461 E N 0.295 120.519 120.200 0.040 0.000 2.435 461 E HA -0.101 4.249 4.350 0.000 0.000 0.195 461 E C 1.277 177.884 176.600 0.011 0.000 1.029 461 E CA 0.890 57.300 56.400 0.017 0.000 0.865 461 E CB -0.360 29.349 29.700 0.015 0.000 0.833 461 E HN 0.776 nan 8.360 nan 0.000 0.510 462 E N 1.196 121.444 120.200 0.080 0.000 2.086 462 E HA -0.121 4.229 4.350 0.000 0.000 0.190 462 E C 2.023 178.704 176.600 0.135 0.000 0.975 462 E CA 0.756 57.270 56.400 0.191 0.000 0.813 462 E CB 0.085 30.024 29.700 0.398 0.000 0.768 462 E HN 0.368 nan 8.360 nan 0.000 0.457 463 E N 0.840 121.054 120.200 0.024 0.000 2.110 463 E HA -0.211 4.139 4.350 0.000 0.000 0.193 463 E C 1.966 178.546 176.600 -0.033 0.000 0.988 463 E CA 1.046 57.410 56.400 -0.061 0.000 0.804 463 E CB -0.049 29.613 29.700 -0.063 0.000 0.745 463 E HN 0.200 nan 8.360 nan 0.000 0.458 464 A N 1.249 124.060 122.820 -0.015 0.000 1.877 464 A HA -0.173 4.147 4.320 0.000 0.000 0.216 464 A C 2.176 179.742 177.584 -0.029 0.000 1.186 464 A CA 1.448 53.468 52.037 -0.028 0.000 0.620 464 A CB -0.784 18.202 19.000 -0.024 0.000 0.822 464 A HN 0.409 nan 8.150 nan 0.000 0.443 465 L N -0.020 121.194 121.223 -0.015 0.000 1.989 465 L HA -0.139 4.201 4.340 0.000 0.000 0.211 465 L C 2.608 179.499 176.870 0.035 0.000 1.071 465 L CA 2.741 57.562 54.840 -0.031 0.000 0.749 465 L CB -0.976 40.996 42.059 -0.144 0.000 0.890 465 L HN 0.366 nan 8.230 nan 0.000 0.431 466 S N -0.730 115.064 115.700 0.156 0.000 2.365 466 S HA -0.258 4.213 4.470 0.000 0.000 0.225 466 S C 2.187 176.769 174.600 -0.029 0.000 1.039 466 S CA 1.658 59.924 58.200 0.110 0.000 1.033 466 S CB -0.268 62.911 63.200 -0.035 0.000 0.887 466 S HN 0.554 nan 8.310 nan 0.000 0.447 467 R N 0.789 121.260 120.500 -0.048 0.000 2.083 467 R HA -0.090 4.251 4.340 0.000 0.000 0.237 467 R C 2.668 178.926 176.300 -0.069 0.000 1.137 467 R CA 1.830 57.893 56.100 -0.062 0.000 0.951 467 R CB -0.390 29.867 30.300 -0.071 0.000 0.851 467 R HN 0.617 nan 8.270 nan 0.000 0.434 468 R N 0.340 120.775 120.500 -0.109 0.000 2.148 468 R HA -0.023 4.318 4.340 0.000 0.000 0.223 468 R C 2.037 178.198 176.300 -0.232 0.000 1.088 468 R CA 1.165 57.116 56.100 -0.250 0.000 0.985 468 R CB -0.490 29.607 30.300 -0.337 0.000 0.880 468 R HN 0.211 nan 8.270 nan 0.000 0.451 469 I N 1.427 121.966 120.570 -0.052 0.000 2.163 469 I HA -0.223 3.947 4.170 0.000 0.000 0.240 469 I C 2.643 178.749 176.117 -0.018 0.000 1.081 469 I CA 1.421 62.714 61.300 -0.012 0.000 1.353 469 I CB -0.172 37.660 38.000 -0.281 0.000 1.054 469 I HN 0.135 nan 8.210 nan 0.000 0.407 470 M N -0.561 118.987 119.600 -0.087 0.000 2.106 470 M HA -0.298 4.182 4.480 0.000 0.000 0.259 470 M C 2.460 178.849 176.300 0.148 0.000 1.068 470 M CA 1.893 57.175 55.300 -0.029 0.000 1.100 470 M CB -0.892 31.678 32.600 -0.050 0.000 1.351 470 M HN 0.304 nan 8.290 nan 0.000 0.404 471 H N -0.366 118.714 119.070 0.017 0.000 2.389 471 H HA -0.139 4.418 4.556 0.000 0.000 0.299 471 H C 1.610 177.055 175.328 0.195 0.000 1.081 471 H CA 1.808 57.880 56.048 0.040 0.000 1.345 471 H CB -0.106 29.618 29.762 -0.064 0.000 1.393 471 H HN 0.273 nan 8.280 nan 0.000 0.520 472 Y N -0.768 119.691 120.300 0.265 0.000 2.145 472 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 472 Y C 2.561 178.659 175.900 0.329 0.000 1.145 472 Y CA 1.124 59.421 58.100 0.327 0.000 1.148 472 Y CB -0.968 37.900 38.460 0.680 0.000 0.981 472 Y HN 0.367 nan 8.280 nan 0.000 0.507 473 W N -0.671 120.738 121.300 0.181 0.000 2.354 473 W HA -0.204 4.456 4.660 0.000 0.000 0.315 473 W C 2.587 179.117 176.519 0.018 0.000 1.206 473 W CA 1.197 58.581 57.345 0.065 0.000 1.290 473 W CB -0.539 28.906 29.460 -0.025 0.000 1.152 473 W HN 0.042 nan 8.180 nan 0.000 0.489 474 A N -0.117 122.827 122.820 0.206 0.000 1.930 474 A HA -0.143 4.177 4.320 0.000 0.000 0.217 474 A C 1.806 179.384 177.584 -0.010 0.000 1.175 474 A CA 2.117 54.190 52.037 0.060 0.000 0.627 474 A CB -1.120 17.915 19.000 0.059 0.000 0.815 474 A HN 0.205 nan 8.150 nan 0.000 0.443 475 T N -0.773 113.735 114.554 -0.078 0.000 2.821 475 T HA -0.091 4.260 4.350 0.000 0.000 0.267 475 T C 1.583 176.230 174.700 -0.088 0.000 1.046 475 T CA 1.436 63.447 62.100 -0.149 0.000 1.139 475 T CB -0.364 68.325 68.868 -0.297 0.000 0.871 475 T HN 0.515 nan 8.240 nan 0.000 0.454 476 F N 2.460 122.301 119.950 -0.182 0.000 2.102 476 F HA 0.031 4.558 4.527 0.000 0.000 0.298 476 F C 2.433 178.137 175.800 -0.160 0.000 1.105 476 F CA 0.975 58.830 58.000 -0.243 0.000 1.239 476 F CB -0.716 38.067 39.000 -0.362 0.000 0.991 476 F HN 0.135 nan 8.300 nan 0.000 0.474 477 A N 0.370 123.081 122.820 -0.182 0.000 1.908 477 A HA -0.238 4.082 4.320 0.000 0.000 0.218 477 A C 2.216 179.660 177.584 -0.233 0.000 1.181 477 A CA 2.127 54.026 52.037 -0.230 0.000 0.627 477 A CB -0.718 18.235 19.000 -0.078 0.000 0.818 477 A HN 0.509 nan 8.150 nan 0.000 0.445 478 K N -1.258 119.042 120.400 -0.166 0.000 2.103 478 K HA -0.059 4.261 4.320 0.000 0.000 0.204 478 K C 1.930 178.441 176.600 -0.148 0.000 1.052 478 K CA 1.708 57.922 56.287 -0.122 0.000 0.945 478 K CB -0.071 32.386 32.500 -0.073 0.000 0.722 478 K HN 0.706 nan 8.250 nan 0.000 0.443 479 T N -4.947 109.487 114.554 -0.199 0.000 2.958 479 T HA 0.241 4.592 4.350 0.000 0.000 0.256 479 T C 1.235 175.799 174.700 -0.227 0.000 0.983 479 T CA 0.354 62.352 62.100 -0.170 0.000 0.924 479 T CB 1.053 69.857 68.868 -0.107 0.000 1.136 479 T HN 0.244 nan 8.240 nan 0.000 0.506 480 G N 1.540 110.070 108.800 -0.450 0.000 2.141 480 G HA2 -0.174 3.786 3.960 0.000 0.000 0.231 480 G HA3 -0.174 3.786 3.960 0.000 0.000 0.231 480 G C -0.224 174.587 174.900 -0.149 0.000 0.984 480 G CA 0.011 44.807 45.100 -0.506 0.000 0.660 480 G HN 0.851 nan 8.290 nan 0.000 0.525 481 N N -0.305 118.294 118.700 -0.169 0.000 2.519 481 N HA 0.453 5.193 4.740 0.000 0.000 0.291 481 N C -1.764 173.595 175.510 -0.252 0.000 1.107 481 N CA -1.529 51.393 53.050 -0.213 0.000 0.904 481 N CB 2.181 40.636 38.487 -0.054 0.000 1.500 481 N HN -0.108 nan 8.380 nan 0.000 0.510 482 P HA -0.045 nan 4.420 nan 0.000 0.222 482 P C -0.366 176.960 177.300 0.045 0.000 1.147 482 P CA 0.932 63.902 63.100 -0.216 0.000 0.790 482 P CB 0.167 31.523 31.700 -0.574 0.000 0.780 483 N N 1.044 119.735 118.700 -0.015 0.000 2.499 483 N HA 0.095 4.836 4.740 0.000 0.000 0.281 483 N C -0.027 175.533 175.510 0.084 0.000 1.098 483 N CA 0.003 53.130 53.050 0.128 0.000 0.979 483 N CB 0.997 39.571 38.487 0.146 0.000 1.121 483 N HN 0.150 nan 8.380 nan 0.000 0.466 484 E N 1.978 122.251 120.200 0.122 0.000 2.227 484 E HA 0.301 4.651 4.350 0.000 0.000 0.282 484 E C -1.937 174.724 176.600 0.101 0.000 1.015 484 E CA -1.514 54.948 56.400 0.103 0.000 0.823 484 E CB 0.851 30.651 29.700 0.167 0.000 1.081 484 E HN 0.343 nan 8.360 nan 0.000 0.396 491 K N 2.104 122.609 120.400 0.175 0.000 2.201 491 K HA 0.287 4.607 4.320 0.000 0.000 0.278 491 K C -0.462 176.313 176.600 0.292 0.000 1.027 491 K CA -0.547 55.879 56.287 0.232 0.000 0.909 491 K CB 0.633 33.247 32.500 0.191 0.000 1.062 491 K HN 0.659 nan 8.250 nan 0.000 0.465 492 W N 6.616 127.989 121.300 0.122 0.000 2.437 492 W HA 0.206 4.866 4.660 0.000 0.000 0.312 492 W C -2.365 174.288 176.519 0.225 0.000 1.242 492 W CA -2.583 54.827 57.345 0.109 0.000 1.340 492 W CB -0.123 29.315 29.460 -0.037 0.000 1.327 492 W HN 0.367 nan 8.180 nan 0.000 0.476 493 P HA 0.015 nan 4.420 nan 0.000 0.272 493 P C -0.539 176.970 177.300 0.349 0.000 1.230 493 P CA -0.514 62.816 63.100 0.385 0.000 0.788 493 P CB 0.783 32.624 31.700 0.235 0.000 0.949 494 L N 2.986 124.270 121.223 0.101 0.000 2.367 494 L HA 0.286 4.627 4.340 0.000 0.000 0.275 494 L C -0.349 176.508 176.870 -0.021 0.000 1.129 494 L CA -0.397 54.323 54.840 -0.200 0.000 0.839 494 L CB -0.891 41.074 42.059 -0.158 0.000 1.133 494 L HN 0.212 nan 8.230 nan 0.000 0.453 495 F N 4.563 124.424 119.950 -0.149 0.000 2.456 495 F HA 0.462 4.990 4.527 0.000 0.000 0.358 495 F C 0.393 176.173 175.800 -0.034 0.000 1.095 495 F CA -0.087 57.912 58.000 -0.001 0.000 1.216 495 F CB 0.591 39.616 39.000 0.042 0.000 1.125 495 F HN 0.656 nan 8.300 nan 0.000 0.549 496 T N 1.203 115.434 114.554 -0.538 0.000 2.916 496 T HA 0.284 4.634 4.350 0.000 0.000 0.292 496 T C 0.823 175.232 174.700 -0.484 0.000 1.055 496 T CA -0.381 61.518 62.100 -0.335 0.000 1.009 496 T CB 1.489 70.243 68.868 -0.191 0.000 1.118 496 T HN 0.552 nan 8.240 nan 0.000 0.497 497 T N 0.945 115.379 114.554 -0.199 0.000 2.720 497 T HA -0.117 4.234 4.350 0.000 0.000 0.268 497 T C 1.779 176.387 174.700 -0.154 0.000 1.037 497 T CA 1.762 63.786 62.100 -0.126 0.000 1.144 497 T CB -0.314 68.520 68.868 -0.057 0.000 0.864 497 T HN 0.700 nan 8.240 nan 0.000 0.444 498 K N 1.128 121.440 120.400 -0.146 0.000 1.991 498 K HA 0.013 4.333 4.320 0.000 0.000 0.207 498 K C 2.263 178.785 176.600 -0.130 0.000 1.045 498 K CA 1.420 57.642 56.287 -0.110 0.000 0.937 498 K CB -0.245 32.205 32.500 -0.083 0.000 0.720 498 K HN 0.178 nan 8.250 nan 0.000 0.438 499 E N 0.258 120.354 120.200 -0.173 0.000 2.086 499 E HA 0.003 4.353 4.350 0.000 0.000 0.190 499 E C -0.335 176.138 176.600 -0.210 0.000 0.975 499 E CA 0.616 56.924 56.400 -0.153 0.000 0.813 499 E CB 0.312 29.938 29.700 -0.122 0.000 0.768 499 E HN 0.304 nan 8.360 nan 0.000 0.457 500 Q N 0.232 119.733 119.800 -0.497 0.000 2.463 500 Q HA -0.223 4.118 4.340 0.000 0.000 0.299 500 Q C -0.899 175.051 176.000 -0.083 0.000 1.353 500 Q CA 0.511 55.880 55.803 -0.724 0.000 0.828 500 Q CB -1.488 27.092 28.738 -0.264 0.000 1.157 500 Q HN 0.187 nan 8.270 nan 0.000 0.436 501 K N 0.542 120.926 120.400 -0.027 0.000 2.168 501 K HA 0.617 4.937 4.320 0.000 0.000 0.258 501 K C 0.026 176.930 176.600 0.507 0.000 1.010 501 K CA 0.084 56.484 56.287 0.188 0.000 0.929 501 K CB 0.525 33.080 32.500 0.092 0.000 0.998 501 K HN 0.235 nan 8.250 nan 0.000 0.479 502 F N -0.570 119.549 119.950 0.281 0.000 2.693 502 F HA 0.535 5.062 4.527 0.000 0.000 0.309 502 F C -1.301 174.610 175.800 0.185 0.000 1.129 502 F CA -1.473 56.722 58.000 0.325 0.000 0.948 502 F CB 0.741 39.951 39.000 0.349 0.000 1.315 502 F HN 0.430 nan 8.300 nan 0.000 0.447 503 I N -0.212 120.458 120.570 0.167 0.000 2.693 503 I HA 0.666 4.836 4.170 0.000 0.000 0.303 503 I C -1.051 175.185 176.117 0.199 0.000 1.025 503 I CA -0.784 60.460 61.300 -0.093 0.000 1.086 503 I CB 1.855 39.574 38.000 -0.470 0.000 1.268 503 I HN 0.459 nan 8.210 nan 0.000 0.440 504 D N 3.712 124.220 120.400 0.180 0.000 2.329 504 D HA 0.509 5.149 4.640 0.000 0.000 0.246 504 D C -0.846 175.529 176.300 0.126 0.000 1.111 504 D CA 0.096 54.289 54.000 0.323 0.000 0.941 504 D CB 1.839 42.827 40.800 0.314 0.000 1.169 504 D HN 0.262 nan 8.370 nan 0.000 0.441 505 L N 2.795 124.086 121.223 0.113 0.000 2.388 505 L HA 0.327 4.668 4.340 0.000 0.000 0.267 505 L C -0.689 176.045 176.870 -0.227 0.000 0.995 505 L CA -0.501 54.331 54.840 -0.013 0.000 0.864 505 L CB 0.180 42.305 42.059 0.109 0.000 1.216 505 L HN 0.479 nan 8.230 nan 0.000 0.430 506 N N -0.915 117.682 118.700 -0.171 0.000 3.277 506 N HA 0.318 5.058 4.740 0.000 0.000 0.278 506 N C 0.540 175.952 175.510 -0.162 0.000 1.544 506 N CA -0.161 52.760 53.050 -0.216 0.000 0.869 506 N CB 0.329 38.766 38.487 -0.083 0.000 1.584 506 N HN 0.093 nan 8.380 nan 0.000 0.564 507 T N -3.358 111.113 114.554 -0.139 0.000 3.035 507 T HA 0.040 4.390 4.350 0.000 0.000 0.268 507 T C 0.181 174.864 174.700 -0.027 0.000 1.109 507 T CA 0.758 62.798 62.100 -0.101 0.000 1.119 507 T CB -0.465 68.365 68.868 -0.064 0.000 0.900 507 T HN 0.521 nan 8.240 nan 0.000 0.503 508 E N 2.174 122.372 120.200 -0.003 0.000 2.345 508 E HA 0.307 4.657 4.350 0.000 0.000 0.259 508 E C -2.547 174.059 176.600 0.010 0.000 1.117 508 E CA -2.349 54.059 56.400 0.013 0.000 0.913 508 E CB 0.163 29.881 29.700 0.030 0.000 1.057 508 E HN 0.202 nan 8.360 nan 0.000 0.432 509 P HA -0.071 nan 4.420 nan 0.000 0.268 509 P C -0.375 176.931 177.300 0.010 0.000 1.204 509 P CA 0.252 63.361 63.100 0.015 0.000 0.768 509 P CB 0.373 32.082 31.700 0.014 0.000 0.842 510 M N 3.687 123.297 119.600 0.017 0.000 2.338 510 M HA -0.048 4.433 4.480 0.000 0.000 0.360 510 M C -0.233 176.033 176.300 -0.056 0.000 1.547 510 M CA 0.984 56.280 55.300 -0.007 0.000 1.001 510 M CB -0.007 32.606 32.600 0.021 0.000 2.008 510 M HN 0.174 nan 8.290 nan 0.000 0.464 511 K N 4.361 124.696 120.400 -0.107 0.000 2.203 511 K HA 0.569 4.889 4.320 0.000 0.000 0.251 511 K C -1.235 175.108 176.600 -0.428 0.000 0.944 511 K CA -0.676 55.466 56.287 -0.241 0.000 0.829 511 K CB 2.248 34.603 32.500 -0.241 0.000 1.125 511 K HN 0.538 nan 8.250 nan 0.000 0.430 512 V N 3.813 123.429 119.914 -0.496 0.000 2.483 512 V HA 0.354 4.475 4.120 0.000 0.000 0.295 512 V C -0.036 175.588 176.094 -0.783 0.000 1.035 512 V CA -0.609 61.390 62.300 -0.500 0.000 0.896 512 V CB 1.365 33.050 31.823 -0.230 0.000 0.986 512 V HN 0.678 nan 8.190 nan 0.000 0.447 513 H N 2.956 121.670 119.070 -0.594 0.000 2.869 513 H HA 0.667 5.223 4.556 0.000 0.000 0.342 513 H C -1.145 173.922 175.328 -0.434 0.000 1.250 513 H CA -0.854 54.824 56.048 -0.616 0.000 1.217 513 H CB 2.225 31.414 29.762 -0.955 0.000 1.917 513 H HN 0.559 nan 8.280 nan 0.000 0.586 514 Q N 0.356 120.197 119.800 0.069 0.000 2.379 514 Q HA 0.368 4.708 4.340 0.000 0.000 0.278 514 Q C -0.775 175.455 176.000 0.383 0.000 1.068 514 Q CA -0.905 55.042 55.803 0.240 0.000 0.816 514 Q CB 3.058 31.855 28.738 0.099 0.000 1.387 514 Q HN 0.497 nan 8.270 nan 0.000 0.413 515 R N 0.830 121.563 120.500 0.387 0.000 2.994 515 R HA -0.195 4.146 4.340 0.000 0.000 0.267 515 R C -0.584 175.867 176.300 0.252 0.000 0.914 515 R CA -0.176 56.093 56.100 0.282 0.000 0.668 515 R CB -1.480 28.926 30.300 0.176 0.000 1.524 515 R HN 0.485 nan 8.270 nan 0.000 0.478 516 L N 2.333 123.627 121.223 0.117 0.000 2.584 516 L HA 0.012 4.353 4.340 0.000 0.000 0.272 516 L C 0.899 177.735 176.870 -0.056 0.000 1.195 516 L CA 0.570 55.254 54.840 -0.260 0.000 0.920 516 L CB -0.094 41.508 42.059 -0.762 0.000 1.173 516 L HN 0.475 nan 8.230 nan 0.000 0.489 517 R N 2.659 123.141 120.500 -0.030 0.000 3.266 517 R HA -0.214 4.127 4.340 0.000 0.000 0.245 517 R C 1.256 177.620 176.300 0.107 0.000 0.941 517 R CA 0.673 56.804 56.100 0.052 0.000 0.638 517 R CB -1.564 28.788 30.300 0.087 0.000 1.019 517 R HN 0.707 nan 8.270 nan 0.000 0.462 518 V N 0.294 120.270 119.914 0.104 0.000 2.407 518 V HA -0.326 3.795 4.120 0.000 0.000 0.248 518 V C 2.307 178.476 176.094 0.125 0.000 1.055 518 V CA 2.546 64.920 62.300 0.124 0.000 1.049 518 V CB -0.019 31.873 31.823 0.116 0.000 0.662 518 V HN 0.512 nan 8.190 nan 0.000 0.455 519 Q N -0.586 119.270 119.800 0.094 0.000 2.002 519 Q HA -0.196 4.145 4.340 0.000 0.000 0.204 519 Q C 2.125 178.190 176.000 0.110 0.000 0.988 519 Q CA 2.503 58.347 55.803 0.070 0.000 0.843 519 Q CB -0.360 28.387 28.738 0.016 0.000 0.908 519 Q HN 0.532 nan 8.270 nan 0.000 0.420 520 M N -0.982 118.705 119.600 0.144 0.000 2.175 520 M HA -0.124 4.356 4.480 0.000 0.000 0.264 520 M C 2.354 178.944 176.300 0.484 0.000 1.063 520 M CA 0.869 56.332 55.300 0.273 0.000 1.119 520 M CB -1.164 31.654 32.600 0.365 0.000 1.377 520 M HN 0.334 nan 8.290 nan 0.000 0.415 521 c N -0.275 118.551 118.600 0.375 0.000 2.446 521 c HA -0.031 4.539 4.570 0.000 0.000 0.279 521 c C 2.949 177.226 174.090 0.311 0.000 1.366 521 c CA 0.237 56.794 56.329 0.379 0.000 1.763 521 c CB -0.876 41.791 42.510 0.262 0.000 1.929 521 c HN 0.321 nan 8.230 nan 0.000 0.509 522 V N 0.522 120.584 119.914 0.246 0.000 2.358 522 V HA -0.222 3.898 4.120 0.000 0.000 0.246 522 V C 2.041 178.266 176.094 0.218 0.000 1.047 522 V CA 2.230 64.647 62.300 0.196 0.000 1.035 522 V CB -0.794 31.117 31.823 0.146 0.000 0.658 522 V HN 0.570 nan 8.190 nan 0.000 0.452 523 F N -0.082 119.917 119.950 0.082 0.000 2.075 523 F HA -0.209 4.318 4.527 0.000 0.000 0.297 523 F C 2.013 177.824 175.800 0.019 0.000 1.113 523 F CA 1.850 59.855 58.000 0.008 0.000 1.218 523 F CB -0.399 38.495 39.000 -0.178 0.000 0.984 523 F HN 0.160 nan 8.300 nan 0.000 0.472 524 W N 0.573 122.019 121.300 0.244 0.000 2.418 524 W HA -0.113 4.548 4.660 0.000 0.000 0.292 524 W C 2.138 178.655 176.519 -0.004 0.000 1.213 524 W CA 0.916 58.323 57.345 0.104 0.000 1.283 524 W CB -0.531 29.100 29.460 0.285 0.000 1.119 524 W HN -0.019 nan 8.180 nan 0.000 0.542 525 N N -0.634 118.202 118.700 0.227 0.000 2.395 525 N HA -0.041 4.699 4.740 0.000 0.000 0.175 525 N C 1.402 176.915 175.510 0.005 0.000 1.029 525 N CA 1.060 54.149 53.050 0.065 0.000 0.897 525 N CB -0.255 38.282 38.487 0.084 0.000 0.991 525 N HN 0.360 nan 8.380 nan 0.000 0.441 526 Q N -1.230 118.595 119.800 0.042 0.000 2.644 526 Q HA 0.220 4.560 4.340 0.000 0.000 0.220 526 Q C 1.262 177.262 176.000 -0.000 0.000 0.866 526 Q CA -0.121 55.701 55.803 0.032 0.000 0.915 526 Q CB 0.031 28.822 28.738 0.087 0.000 1.191 526 Q HN 0.130 nan 8.270 nan 0.000 0.641 527 F N 1.709 121.571 119.950 -0.147 0.000 2.084 527 F HA -0.174 4.353 4.527 0.000 0.000 0.296 527 F C 1.962 177.569 175.800 -0.322 0.000 1.111 527 F CA 1.039 58.916 58.000 -0.205 0.000 1.224 527 F CB -0.176 38.719 39.000 -0.175 0.000 0.991 527 F HN 0.047 nan 8.300 nan 0.000 0.471 528 L N 1.084 121.950 121.223 -0.596 0.000 2.017 528 L HA -0.065 4.275 4.340 0.000 0.000 0.208 528 L C -0.887 175.749 176.870 -0.389 0.000 1.073 528 L CA 2.070 56.519 54.840 -0.651 0.000 0.745 528 L CB -1.864 39.741 42.059 -0.757 0.000 0.894 528 L HN -0.010 nan 8.230 nan 0.000 0.432 529 P HA -0.203 nan 4.420 nan 0.000 0.216 529 P C 1.443 178.632 177.300 -0.185 0.000 1.150 529 P CA 1.564 64.577 63.100 -0.145 0.000 0.837 529 P CB -0.033 31.608 31.700 -0.098 0.000 0.786 530 K N -0.445 119.807 120.400 -0.246 0.000 2.025 530 K HA -0.138 4.182 4.320 0.000 0.000 0.207 530 K C 1.936 178.349 176.600 -0.311 0.000 1.049 530 K CA 1.008 57.153 56.287 -0.238 0.000 0.933 530 K CB -0.756 31.613 32.500 -0.219 0.000 0.714 530 K HN -0.072 nan 8.250 nan 0.000 0.438 531 L N 1.745 122.658 121.223 -0.518 0.000 2.012 531 L HA -0.148 4.192 4.340 0.000 0.000 0.210 531 L C 1.844 178.554 176.870 -0.266 0.000 1.073 531 L CA 1.680 56.233 54.840 -0.478 0.000 0.748 531 L CB -0.768 40.877 42.059 -0.691 0.000 0.891 531 L HN 0.256 nan 8.230 nan 0.000 0.431 532 L N -0.213 120.872 121.223 -0.230 0.000 2.083 532 L HA -0.216 4.124 4.340 0.000 0.000 0.209 532 L C 2.350 179.162 176.870 -0.096 0.000 1.083 532 L CA 1.653 56.412 54.840 -0.134 0.000 0.752 532 L CB -0.722 41.285 42.059 -0.088 0.000 0.899 532 L HN 0.453 nan 8.230 nan 0.000 0.433 533 N N 0.093 118.731 118.700 -0.104 0.000 2.244 533 N HA -0.115 4.625 4.740 0.000 0.000 0.183 533 N C 1.648 177.116 175.510 -0.070 0.000 1.016 533 N CA 1.138 54.145 53.050 -0.073 0.000 0.866 533 N CB 0.077 38.521 38.487 -0.070 0.000 0.980 533 N HN 0.269 nan 8.380 nan 0.000 0.430 534 A N -1.231 121.533 122.820 -0.094 0.000 2.123 534 A HA 0.067 4.387 4.320 0.000 0.000 0.214 534 A C 1.680 179.226 177.584 -0.064 0.000 1.152 534 A CA 1.479 53.470 52.037 -0.076 0.000 0.728 534 A CB -0.278 18.667 19.000 -0.091 0.000 0.814 534 A HN 0.483 nan 8.150 nan 0.000 0.464 535 T N -5.162 109.348 114.554 -0.072 0.000 3.130 535 T HA 0.645 4.995 4.350 0.000 0.000 0.288 535 T C 0.406 175.079 174.700 -0.045 0.000 0.936 535 T CA 0.563 62.630 62.100 -0.055 0.000 0.897 535 T CB -0.082 68.749 68.868 -0.060 0.000 1.178 535 T HN 0.568 nan 8.240 nan 0.000 0.543 536 A N 0.000 122.793 122.820 -0.045 0.000 2.254 536 A HA 0.000 4.320 4.320 0.000 0.000 0.244 536 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 536 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486