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 2vjd_1_B 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 EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.644 174.600 0.073 0.000 1.055 4 S CA 0.000 58.228 58.200 0.046 0.000 1.107 4 S CB 0.000 63.226 63.200 0.043 0.000 0.593 5 E N 3.058 123.310 120.200 0.088 0.000 2.110 5 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 5 E C 1.361 178.101 176.600 0.234 0.000 0.988 5 E CA 1.356 57.841 56.400 0.143 0.000 0.804 5 E CB -0.041 29.741 29.700 0.137 0.000 0.745 5 E HN 0.720 nan 8.360 nan 0.000 0.458 6 L N 0.439 121.756 121.223 0.156 0.000 2.395 6 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 6 L C 0.818 177.838 176.870 0.250 0.000 1.130 6 L CA -0.085 54.837 54.840 0.136 0.000 0.826 6 L CB 0.046 42.098 42.059 -0.012 0.000 0.941 6 L HN 0.101 nan 8.230 nan 0.000 0.451 7 L N 1.303 122.639 121.223 0.187 0.000 2.287 7 L HA 0.406 4.745 4.340 -0.000 0.000 0.280 7 L C -0.491 176.449 176.870 0.116 0.000 1.055 7 L CA -0.186 54.754 54.840 0.167 0.000 0.863 7 L CB 0.834 42.952 42.059 0.098 0.000 1.245 7 L HN -0.298 nan 8.230 nan 0.000 0.432 8 V N 4.407 124.400 119.914 0.131 0.000 2.581 8 V HA 0.514 4.633 4.120 -0.000 0.000 0.303 8 V C -0.432 175.613 176.094 -0.083 0.000 1.041 8 V CA -0.800 61.438 62.300 -0.103 0.000 0.907 8 V CB 2.079 33.606 31.823 -0.493 0.000 0.994 8 V HN 0.873 nan 8.190 nan 0.000 0.442 9 N N 1.495 120.064 118.700 -0.219 0.000 2.424 9 N HA 0.570 5.310 4.740 -0.000 0.000 0.271 9 N C -0.279 174.954 175.510 -0.462 0.000 0.985 9 N CA -0.575 52.328 53.050 -0.244 0.000 0.921 9 N CB 1.680 40.013 38.487 -0.256 0.000 1.149 9 N HN 0.744 nan 8.380 nan 0.000 0.492 10 T N -0.927 113.465 114.554 -0.270 0.000 2.893 10 T HA 0.378 4.728 4.350 -0.000 0.000 0.279 10 T C 0.868 175.382 174.700 -0.311 0.000 0.991 10 T CA -0.589 61.360 62.100 -0.252 0.000 0.950 10 T CB 1.000 69.963 68.868 0.158 0.000 1.223 10 T HN 0.282 nan 8.240 nan 0.000 0.585 11 K N 0.085 120.381 120.400 -0.173 0.000 2.283 11 K HA 0.131 4.450 4.320 -0.000 0.000 0.202 11 K C 2.092 178.581 176.600 -0.185 0.000 1.048 11 K CA 0.956 57.156 56.287 -0.145 0.000 0.948 11 K CB -0.136 32.336 32.500 -0.047 0.000 0.742 11 K HN 0.495 nan 8.250 nan 0.000 0.458 12 S N -0.839 114.719 115.700 -0.236 0.000 2.524 12 S HA 0.333 4.803 4.470 -0.000 0.000 0.215 12 S C 0.285 174.215 174.600 -1.116 0.000 0.986 12 S CA 0.201 58.143 58.200 -0.430 0.000 0.911 12 S CB 1.055 64.166 63.200 -0.149 0.000 0.805 12 S HN 0.465 nan 8.310 nan 0.000 0.501 13 G N 1.199 109.401 108.800 -0.998 0.000 2.359 13 G HA2 0.140 4.100 3.960 -0.000 0.000 0.314 13 G HA3 0.140 4.100 3.960 -0.000 0.000 0.314 13 G C -1.764 172.903 174.900 -0.388 0.000 1.364 13 G CA -1.169 43.261 45.100 -1.117 0.000 0.978 13 G HN 0.096 nan 8.290 nan 0.000 0.615 14 K N -0.805 119.598 120.400 0.006 0.000 2.168 14 K HA 0.664 4.984 4.320 -0.000 0.000 0.258 14 K C -0.445 176.530 176.600 0.625 0.000 1.010 14 K CA -0.558 55.882 56.287 0.255 0.000 0.929 14 K CB 1.862 34.472 32.500 0.185 0.000 0.998 14 K HN 0.354 nan 8.250 nan 0.000 0.479 15 V N 2.262 122.475 119.914 0.499 0.000 2.841 15 V HA 0.305 4.425 4.120 -0.000 0.000 0.310 15 V C -1.231 175.142 176.094 0.466 0.000 1.090 15 V CA -0.933 61.714 62.300 0.578 0.000 0.930 15 V CB 1.940 34.155 31.823 0.653 0.000 1.014 15 V HN 0.719 nan 8.190 nan 0.000 0.425 16 M N 3.771 123.606 119.600 0.392 0.000 2.078 16 M HA 0.761 5.240 4.480 -0.000 0.000 0.320 16 M C 0.168 176.537 176.300 0.114 0.000 0.969 16 M CA 0.022 55.468 55.300 0.242 0.000 0.929 16 M CB 0.994 33.683 32.600 0.148 0.000 1.504 16 M HN 0.744 nan 8.290 nan 0.000 0.419 17 G N 1.671 110.401 108.800 -0.117 0.000 2.531 17 G HA2 0.606 4.566 3.960 -0.000 0.000 0.253 17 G HA3 0.606 4.566 3.960 -0.000 0.000 0.253 17 G C -0.967 173.712 174.900 -0.368 0.000 1.439 17 G CA -0.203 44.532 45.100 -0.608 0.000 1.056 17 G HN 0.710 nan 8.290 nan 0.000 0.555 18 T N -1.741 112.563 114.554 -0.417 0.000 2.932 18 T HA 0.489 4.839 4.350 -0.000 0.000 0.318 18 T C -0.834 173.763 174.700 -0.171 0.000 1.265 18 T CA -0.695 61.272 62.100 -0.221 0.000 1.036 18 T CB 1.635 70.402 68.868 -0.170 0.000 1.209 18 T HN 0.595 nan 8.240 nan 0.000 0.484 19 R N 2.955 123.405 120.500 -0.083 0.000 2.248 19 R HA 0.572 4.911 4.340 -0.000 0.000 0.328 19 R C -0.324 175.993 176.300 0.030 0.000 1.067 19 R CA -0.342 55.753 56.100 -0.009 0.000 0.924 19 R CB 0.085 30.386 30.300 0.002 0.000 1.013 19 R HN 0.539 nan 8.270 nan 0.000 0.454 20 V N 3.434 123.380 119.914 0.053 0.000 2.459 20 V HA 0.706 4.826 4.120 -0.000 0.000 0.295 20 V C -2.340 173.755 176.094 0.001 0.000 1.029 20 V CA -2.661 59.657 62.300 0.030 0.000 0.874 20 V CB 1.503 33.338 31.823 0.019 0.000 0.985 20 V HN 0.774 nan 8.190 nan 0.000 0.438 21 P HA 0.374 nan 4.420 nan 0.000 0.274 21 P C -0.796 176.296 177.300 -0.346 0.000 1.231 21 P CA -0.046 62.839 63.100 -0.359 0.000 0.790 21 P CB 1.972 33.512 31.700 -0.266 0.000 0.951 22 V N 5.157 124.792 119.914 -0.465 0.000 2.781 22 V HA 0.105 4.225 4.120 -0.000 0.000 0.289 22 V C -0.134 175.649 176.094 -0.518 0.000 1.275 22 V CA -0.749 61.272 62.300 -0.465 0.000 0.936 22 V CB 0.733 32.232 31.823 -0.539 0.000 1.074 22 V HN 0.512 nan 8.190 nan 0.000 0.444 23 L N 5.989 127.043 121.223 -0.282 0.000 3.879 23 L HA -0.238 4.102 4.340 -0.000 0.000 0.481 23 L C 1.100 177.843 176.870 -0.211 0.000 1.232 23 L CA 1.004 55.723 54.840 -0.202 0.000 0.736 23 L CB -1.931 40.016 42.059 -0.186 0.000 1.511 23 L HN 1.112 nan 8.230 nan 0.000 0.830 24 S N -2.905 112.683 115.700 -0.187 0.000 2.929 24 S HA -0.235 4.235 4.470 -0.000 0.000 0.271 24 S C 0.534 175.056 174.600 -0.131 0.000 1.295 24 S CA 1.551 59.677 58.200 -0.123 0.000 1.277 24 S CB -0.590 62.587 63.200 -0.039 0.000 1.557 24 S HN 0.860 nan 8.310 nan 0.000 0.666 25 S N -0.771 114.761 115.700 -0.280 0.000 2.921 25 S HA 0.855 5.325 4.470 -0.000 0.000 0.315 25 S C -1.197 173.151 174.600 -0.420 0.000 1.087 25 S CA -0.533 57.585 58.200 -0.137 0.000 0.877 25 S CB 1.037 64.249 63.200 0.020 0.000 1.340 25 S HN 0.459 nan 8.310 nan 0.000 0.622 26 H N -0.476 118.584 119.070 -0.017 0.000 3.016 26 H HA 0.730 5.286 4.556 -0.000 0.000 0.362 26 H C -0.659 174.725 175.328 0.093 0.000 1.233 26 H CA -0.336 55.712 56.048 0.000 0.000 1.124 26 H CB 1.336 31.107 29.762 0.015 0.000 1.850 26 H HN 0.744 nan 8.280 nan 0.000 0.549 27 I N -2.362 118.335 120.570 0.211 0.000 3.195 27 I HA 0.699 4.869 4.170 -0.000 0.000 0.313 27 I C -1.082 175.146 176.117 0.186 0.000 1.237 27 I CA -0.977 60.462 61.300 0.233 0.000 0.963 27 I CB 2.572 40.740 38.000 0.279 0.000 1.278 27 I HN 0.388 nan 8.210 nan 0.000 0.460 28 S N 1.701 117.525 115.700 0.206 0.000 2.554 28 S HA 0.827 5.297 4.470 -0.000 0.000 0.278 28 S C -0.234 174.416 174.600 0.083 0.000 1.242 28 S CA -0.465 57.804 58.200 0.115 0.000 1.051 28 S CB 1.440 64.785 63.200 0.242 0.000 0.986 28 S HN 0.867 nan 8.310 nan 0.000 0.502 29 A N 2.234 124.924 122.820 -0.217 0.000 2.393 29 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 29 A C -1.440 175.808 177.584 -0.559 0.000 1.050 29 A CA -0.635 51.202 52.037 -0.334 0.000 0.724 29 A CB 0.607 19.413 19.000 -0.322 0.000 1.248 29 A HN 0.641 nan 8.150 nan 0.000 0.424 30 F N 2.540 122.328 119.950 -0.270 0.000 2.434 30 F HA 0.474 5.001 4.527 -0.000 0.000 0.367 30 F C -0.256 175.394 175.800 -0.249 0.000 1.093 30 F CA -0.411 57.513 58.000 -0.128 0.000 1.085 30 F CB 1.333 40.350 39.000 0.029 0.000 1.322 30 F HN 0.359 nan 8.300 nan 0.000 0.452 31 L N 2.269 123.424 121.223 -0.115 0.000 2.309 31 L HA 0.714 5.054 4.340 -0.000 0.000 0.282 31 L C 0.935 177.819 176.870 0.023 0.000 1.036 31 L CA -0.976 53.796 54.840 -0.113 0.000 0.806 31 L CB 1.513 43.420 42.059 -0.253 0.000 1.220 31 L HN 0.828 nan 8.230 nan 0.000 0.429 32 G N 3.306 112.145 108.800 0.065 0.000 2.256 32 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.272 32 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.272 32 G C -0.203 174.758 174.900 0.102 0.000 1.076 32 G CA -0.356 44.788 45.100 0.074 0.000 0.882 32 G HN 0.490 nan 8.290 nan 0.000 0.497 33 I N 2.087 122.635 120.570 -0.037 0.000 2.371 33 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 33 I C -1.426 174.470 176.117 -0.367 0.000 1.028 33 I CA -2.281 58.822 61.300 -0.328 0.000 1.345 33 I CB 1.393 39.207 38.000 -0.311 0.000 1.407 33 I HN 0.008 nan 8.210 nan 0.000 0.501 34 P HA 0.090 nan 4.420 nan 0.000 0.279 34 P C -0.386 176.576 177.300 -0.564 0.000 1.239 34 P CA -0.048 62.554 63.100 -0.830 0.000 0.789 34 P CB 0.791 31.913 31.700 -0.962 0.000 0.933 35 F N 0.337 119.992 119.950 -0.491 0.000 2.798 35 F HA 0.737 5.263 4.527 -0.000 0.000 0.328 35 F C -0.050 175.681 175.800 -0.115 0.000 1.098 35 F CA -0.858 56.953 58.000 -0.314 0.000 1.172 35 F CB 0.020 38.784 39.000 -0.394 0.000 1.072 35 F HN 0.374 nan 8.300 nan 0.000 0.555 36 A N 0.011 122.529 122.820 -0.503 0.000 2.593 36 A HA 0.646 4.966 4.320 -0.000 0.000 0.290 36 A C -0.934 176.475 177.584 -0.292 0.000 1.126 36 A CA -0.767 51.111 52.037 -0.264 0.000 0.695 36 A CB 1.102 19.936 19.000 -0.277 0.000 1.290 36 A HN 0.058 nan 8.150 nan 0.000 0.414 37 E N 0.653 120.768 120.200 -0.142 0.000 2.366 37 E HA 0.332 4.682 4.350 -0.000 0.000 0.266 37 E C -2.399 174.113 176.600 -0.147 0.000 1.051 37 E CA -1.563 54.773 56.400 -0.107 0.000 0.884 37 E CB 0.302 29.983 29.700 -0.031 0.000 1.006 37 E HN 0.225 nan 8.360 nan 0.000 0.417 38 P HA 0.034 nan 4.420 nan 0.000 0.260 38 P C -2.208 175.042 177.300 -0.083 0.000 1.207 38 P CA -0.773 62.263 63.100 -0.106 0.000 0.780 38 P CB -0.045 31.627 31.700 -0.045 0.000 0.789 39 P HA -0.006 nan 4.420 nan 0.000 0.226 39 P C -0.233 177.013 177.300 -0.089 0.000 1.783 39 P CA 0.167 63.220 63.100 -0.078 0.000 0.980 39 P CB -0.099 31.557 31.700 -0.074 0.000 1.967 40 V N -2.300 117.569 119.914 -0.075 0.000 3.096 40 V HA 0.884 5.004 4.120 -0.000 0.000 0.319 40 V C 1.068 177.121 176.094 -0.068 0.000 1.103 40 V CA 0.105 62.357 62.300 -0.079 0.000 1.016 40 V CB 0.732 32.518 31.823 -0.062 0.000 1.090 40 V HN 0.544 nan 8.190 nan 0.000 0.449 41 G N 2.925 111.682 108.800 -0.070 0.000 2.602 41 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.310 41 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.310 41 G C 0.549 175.410 174.900 -0.066 0.000 1.183 41 G CA 1.435 46.500 45.100 -0.059 0.000 0.979 41 G HN 2.046 nan 8.290 nan 0.000 0.545 42 N N 0.507 119.183 118.700 -0.040 0.000 2.521 42 N HA 0.184 4.924 4.740 -0.000 0.000 0.188 42 N C 1.847 177.346 175.510 -0.018 0.000 1.146 42 N CA 1.613 54.649 53.050 -0.022 0.000 0.893 42 N CB 0.033 38.520 38.487 0.000 0.000 0.975 42 N HN 0.453 nan 8.380 nan 0.000 0.451 43 M N -0.153 119.423 119.600 -0.040 0.000 2.514 43 M HA 0.093 4.573 4.480 -0.000 0.000 0.258 43 M C 0.769 177.028 176.300 -0.069 0.000 1.119 43 M CA 0.085 55.363 55.300 -0.036 0.000 1.111 43 M CB -0.503 32.074 32.600 -0.040 0.000 1.390 43 M HN 0.250 nan 8.290 nan 0.000 0.475 44 R N 0.677 121.087 120.500 -0.151 0.000 2.538 44 R HA -0.059 4.281 4.340 -0.000 0.000 0.282 44 R C -0.314 175.801 176.300 -0.308 0.000 1.009 44 R CA 0.581 56.467 56.100 -0.357 0.000 1.063 44 R CB 0.119 30.064 30.300 -0.591 0.000 0.945 44 R HN 0.205 nan 8.270 nan 0.000 0.414 45 F N -0.800 119.150 119.950 -0.001 0.000 2.502 45 F HA -0.289 4.238 4.527 -0.000 0.000 0.480 45 F C 0.679 176.458 175.800 -0.034 0.000 0.543 45 F CA 1.215 59.189 58.000 -0.044 0.000 1.350 45 F CB -1.484 37.478 39.000 -0.063 0.000 1.999 45 F HN 0.634 nan 8.300 nan 0.000 0.267 46 R N 1.600 122.169 120.500 0.115 0.000 2.528 46 R HA 0.503 4.843 4.340 -0.000 0.000 0.271 46 R C 0.513 176.838 176.300 0.043 0.000 1.056 46 R CA -0.622 55.521 56.100 0.072 0.000 1.117 46 R CB 0.709 31.039 30.300 0.050 0.000 1.085 46 R HN 0.082 nan 8.270 nan 0.000 0.530 47 R N 2.830 123.356 120.500 0.042 0.000 2.698 47 R HA 0.052 4.392 4.340 -0.000 0.000 0.266 47 R C -1.876 174.447 176.300 0.039 0.000 1.026 47 R CA -0.910 55.215 56.100 0.041 0.000 1.102 47 R CB -0.046 30.283 30.300 0.048 0.000 0.978 47 R HN 0.523 nan 8.270 nan 0.000 0.436 48 P HA 0.061 nan 4.420 nan 0.000 0.272 48 P C -0.874 176.460 177.300 0.056 0.000 1.230 48 P CA -0.029 63.102 63.100 0.051 0.000 0.788 48 P CB 0.887 32.643 31.700 0.094 0.000 0.949 49 E N 1.896 122.121 120.200 0.041 0.000 2.238 49 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 49 E C -2.538 174.098 176.600 0.061 0.000 0.887 49 E CA -2.874 53.556 56.400 0.049 0.000 0.769 49 E CB 0.942 30.662 29.700 0.033 0.000 1.187 49 E HN 0.241 nan 8.360 nan 0.000 0.416 50 P HA -0.013 nan 4.420 nan 0.000 0.266 50 P C -1.146 176.212 177.300 0.097 0.000 1.195 50 P CA -0.138 63.033 63.100 0.118 0.000 0.768 50 P CB 0.386 32.157 31.700 0.119 0.000 0.838 51 K N 4.164 124.632 120.400 0.113 0.000 2.451 51 K HA 0.020 4.340 4.320 -0.000 0.000 0.280 51 K C 0.079 176.774 176.600 0.159 0.000 1.020 51 K CA 0.192 56.543 56.287 0.107 0.000 1.008 51 K CB 0.030 32.598 32.500 0.113 0.000 0.917 51 K HN 0.335 nan 8.250 nan 0.000 0.478 52 K N 4.673 125.164 120.400 0.151 0.000 2.218 52 K HA 0.325 4.645 4.320 -0.000 0.000 0.276 52 K C -2.280 174.439 176.600 0.198 0.000 1.022 52 K CA -1.958 54.413 56.287 0.141 0.000 0.946 52 K CB 0.225 32.792 32.500 0.112 0.000 1.000 52 K HN 0.351 nan 8.250 nan 0.000 0.468 53 P HA -0.122 nan 4.420 nan 0.000 0.264 53 P C -1.251 176.140 177.300 0.151 0.000 1.173 53 P CA 0.271 63.368 63.100 -0.005 0.000 0.761 53 P CB 0.116 31.771 31.700 -0.076 0.000 0.794 54 W N 1.120 122.500 121.300 0.133 0.000 2.799 54 W HA 0.734 5.394 4.660 -0.000 0.000 0.349 54 W C -1.044 175.554 176.519 0.132 0.000 1.100 54 W CA -0.761 56.680 57.345 0.161 0.000 1.174 54 W CB 0.342 29.971 29.460 0.282 0.000 1.427 54 W HN 0.118 nan 8.180 nan 0.000 0.547 55 S N 1.096 117.009 115.700 0.355 0.000 2.690 55 S HA 0.808 5.278 4.470 -0.000 0.000 0.291 55 S C 0.383 175.185 174.600 0.337 0.000 1.138 55 S CA 0.342 58.672 58.200 0.218 0.000 1.013 55 S CB 0.965 64.246 63.200 0.135 0.000 1.053 55 S HN 1.538 nan 8.310 nan 0.000 0.539 56 G N 0.008 108.941 108.800 0.221 0.000 2.750 56 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.228 56 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.228 56 G C -0.865 174.236 174.900 0.336 0.000 1.367 56 G CA -0.515 44.715 45.100 0.217 0.000 0.871 56 G HN 0.941 nan 8.290 nan 0.000 0.560 57 V N 1.026 121.093 119.914 0.255 0.000 2.383 57 V HA 0.436 4.556 4.120 -0.000 0.000 0.275 57 V C 0.447 176.704 176.094 0.271 0.000 1.036 57 V CA -0.459 62.024 62.300 0.304 0.000 0.889 57 V CB 1.620 33.553 31.823 0.184 0.000 0.985 57 V HN 0.678 nan 8.190 nan 0.000 0.459 58 W N 5.869 127.295 121.300 0.209 0.000 2.345 58 W HA 0.205 4.865 4.660 -0.000 0.000 0.308 58 W C 0.298 176.822 176.519 0.008 0.000 1.273 58 W CA -0.569 56.743 57.345 -0.055 0.000 1.243 58 W CB 0.701 29.959 29.460 -0.338 0.000 1.260 58 W HN 0.608 nan 8.180 nan 0.000 0.509 59 N N 4.604 123.220 118.700 -0.140 0.000 2.416 59 N HA 0.143 4.883 4.740 -0.000 0.000 0.265 59 N C -0.423 175.196 175.510 0.181 0.000 1.195 59 N CA 0.347 53.390 53.050 -0.011 0.000 0.943 59 N CB 0.975 39.373 38.487 -0.149 0.000 1.115 59 N HN 0.401 nan 8.380 nan 0.000 0.481 60 A N 2.787 125.746 122.820 0.231 0.000 3.041 60 A HA 0.195 4.515 4.320 -0.000 0.000 0.307 60 A C 0.904 178.494 177.584 0.009 0.000 1.116 60 A CA -0.444 51.720 52.037 0.211 0.000 1.001 60 A CB -0.401 18.783 19.000 0.305 0.000 1.112 60 A HN 0.623 nan 8.150 nan 0.000 0.556 61 S N -1.052 114.625 115.700 -0.038 0.000 2.539 61 S HA 0.198 4.668 4.470 -0.000 0.000 0.221 61 S C 0.676 175.192 174.600 -0.140 0.000 0.987 61 S CA 0.517 58.648 58.200 -0.115 0.000 0.929 61 S CB -0.239 62.901 63.200 -0.100 0.000 0.832 61 S HN 0.884 nan 8.310 nan 0.000 0.492 62 T N -0.706 113.784 114.554 -0.106 0.000 2.900 62 T HA 0.644 4.994 4.350 -0.000 0.000 0.295 62 T C -0.804 173.865 174.700 -0.053 0.000 1.044 62 T CA -0.704 61.329 62.100 -0.111 0.000 0.995 62 T CB 0.798 69.626 68.868 -0.067 0.000 1.072 62 T HN 0.071 nan 8.240 nan 0.000 0.473 63 Y N 3.129 123.404 120.300 -0.042 0.000 2.652 63 Y HA 0.333 4.883 4.550 -0.000 0.000 0.344 63 Y C -1.354 174.486 175.900 -0.100 0.000 1.254 63 Y CA -1.158 56.917 58.100 -0.043 0.000 1.480 63 Y CB 0.191 38.644 38.460 -0.012 0.000 1.345 63 Y HN 0.577 nan 8.280 nan 0.000 0.617 64 P HA 0.165 nan 4.420 nan 0.000 0.287 64 P C -0.793 176.420 177.300 -0.145 0.000 1.296 64 P CA -0.635 62.342 63.100 -0.206 0.000 0.811 64 P CB 1.071 32.492 31.700 -0.466 0.000 1.211 65 N N 0.179 118.759 118.700 -0.200 0.000 2.371 65 N HA 0.096 4.836 4.740 -0.000 0.000 0.243 65 N C 0.012 175.481 175.510 -0.069 0.000 1.287 65 N CA 0.325 53.309 53.050 -0.111 0.000 0.911 65 N CB -0.224 38.207 38.487 -0.093 0.000 1.142 65 N HN 0.411 nan 8.380 nan 0.000 0.451 66 N N -0.704 117.952 118.700 -0.073 0.000 2.456 66 N HA 0.310 5.050 4.740 -0.000 0.000 0.296 66 N C -0.428 175.040 175.510 -0.071 0.000 1.102 66 N CA -0.725 52.279 53.050 -0.076 0.000 0.924 66 N CB 1.149 39.569 38.487 -0.111 0.000 1.186 66 N HN 0.405 nan 8.380 nan 0.000 0.492 67 c N 1.171 119.732 118.600 -0.065 0.000 2.700 67 c HA 0.037 4.607 4.570 -0.000 0.000 0.397 67 c C 0.682 174.698 174.090 -0.123 0.000 1.301 67 c CA -0.569 55.705 56.329 -0.091 0.000 2.219 67 c CB -0.095 42.383 42.510 -0.054 0.000 2.699 67 c HN 0.534 nan 8.230 nan 0.000 0.669 68 Q N 2.342 122.003 119.800 -0.231 0.000 2.300 68 Q HA 0.243 4.583 4.340 -0.000 0.000 0.280 68 Q C -0.053 175.922 176.000 -0.040 0.000 1.033 68 Q CA 0.908 56.572 55.803 -0.231 0.000 0.903 68 Q CB 0.497 28.883 28.738 -0.587 0.000 1.195 68 Q HN 0.886 nan 8.270 nan 0.000 0.386 69 Q N 1.205 121.052 119.800 0.078 0.000 2.687 69 Q HA 0.307 4.647 4.340 -0.000 0.000 0.295 69 Q C -1.344 174.832 176.000 0.292 0.000 0.920 69 Q CA -1.022 54.916 55.803 0.225 0.000 0.766 69 Q CB 0.762 29.596 28.738 0.161 0.000 1.467 69 Q HN 0.488 nan 8.270 nan 0.000 0.415 70 Y N 1.147 121.646 120.300 0.331 0.000 2.526 70 Y HA 0.400 4.950 4.550 -0.000 0.000 0.330 70 Y C -1.067 175.023 175.900 0.316 0.000 1.156 70 Y CA 0.111 58.441 58.100 0.383 0.000 1.419 70 Y CB 0.913 39.734 38.460 0.603 0.000 1.250 70 Y HN 0.435 nan 8.280 nan 0.000 0.540 71 V N 6.541 126.216 119.914 -0.399 0.000 2.435 71 V HA 0.134 4.254 4.120 -0.000 0.000 0.290 71 V C -0.599 175.212 176.094 -0.471 0.000 1.030 71 V CA -0.988 61.155 62.300 -0.263 0.000 0.881 71 V CB 1.553 33.297 31.823 -0.131 0.000 0.983 71 V HN 0.788 nan 8.190 nan 0.000 0.445 72 D N 3.441 123.797 120.400 -0.074 0.000 2.339 72 D HA 0.174 4.814 4.640 -0.000 0.000 0.256 72 D C 0.377 176.730 176.300 0.087 0.000 1.214 72 D CA 0.137 54.199 54.000 0.103 0.000 0.877 72 D CB 0.912 41.925 40.800 0.355 0.000 1.111 72 D HN 0.664 nan 8.370 nan 0.000 0.478 73 E N 2.576 122.795 120.200 0.031 0.000 2.789 73 E HA 0.029 4.378 4.350 -0.000 0.000 0.208 73 E C 0.975 177.554 176.600 -0.036 0.000 0.988 73 E CA -0.295 56.115 56.400 0.018 0.000 1.092 73 E CB 0.677 30.364 29.700 -0.022 0.000 1.066 73 E HN 0.446 nan 8.360 nan 0.000 0.465 74 Q N -0.465 119.273 119.800 -0.104 0.000 2.084 74 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 74 Q C -0.026 175.603 176.000 -0.618 0.000 0.978 74 Q CA 1.148 56.651 55.803 -0.501 0.000 0.844 74 Q CB 0.196 28.363 28.738 -0.952 0.000 0.898 74 Q HN 0.235 nan 8.270 nan 0.000 0.426 75 F N 0.559 120.561 119.950 0.086 0.000 2.451 75 F HA 0.371 4.898 4.527 -0.000 0.000 0.367 75 F C -2.132 173.737 175.800 0.115 0.000 1.100 75 F CA -3.066 54.967 58.000 0.056 0.000 1.171 75 F CB 1.028 40.049 39.000 0.035 0.000 1.405 75 F HN -0.183 nan 8.300 nan 0.000 0.482 76 P HA 0.215 nan 4.420 nan 0.000 0.267 76 P C 1.001 178.389 177.300 0.146 0.000 1.205 76 P CA 0.975 64.156 63.100 0.135 0.000 0.765 76 P CB 0.964 32.708 31.700 0.073 0.000 0.828 77 G N 2.579 111.450 108.800 0.117 0.000 2.304 77 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.252 77 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.252 77 G C 0.100 175.069 174.900 0.116 0.000 1.014 77 G CA -0.364 44.788 45.100 0.086 0.000 0.619 77 G HN 0.531 nan 8.290 nan 0.000 0.525 78 F N 3.482 123.430 119.950 -0.003 0.000 2.502 78 F HA 0.481 5.008 4.527 -0.000 0.000 0.371 78 F C 1.774 177.529 175.800 -0.075 0.000 1.083 78 F CA 0.017 57.969 58.000 -0.080 0.000 1.174 78 F CB 1.000 39.937 39.000 -0.105 0.000 1.096 78 F HN 0.262 nan 8.300 nan 0.000 0.545 79 S N 3.439 118.778 115.700 -0.601 0.000 2.382 79 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 79 S C 2.283 176.510 174.600 -0.622 0.000 1.027 79 S CA 0.919 58.806 58.200 -0.521 0.000 0.991 79 S CB -1.252 61.679 63.200 -0.447 0.000 0.823 79 S HN 0.798 nan 8.310 nan 0.000 0.469 80 G N 1.637 109.645 108.800 -1.320 0.000 2.475 80 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 80 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 80 G C 1.709 176.812 174.900 0.339 0.000 1.125 80 G CA 1.466 46.105 45.100 -0.770 0.000 0.755 80 G HN 0.826 nan 8.290 nan 0.000 0.565 81 S N -0.416 115.500 115.700 0.359 0.000 2.502 81 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 81 S C 1.772 176.655 174.600 0.471 0.000 1.061 81 S CA 0.607 59.307 58.200 0.834 0.000 0.935 81 S CB -0.030 63.804 63.200 1.056 0.000 0.809 81 S HN 0.453 nan 8.310 nan 0.000 0.510 82 E N 2.131 122.452 120.200 0.201 0.000 2.347 82 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 82 E C 1.909 178.458 176.600 -0.085 0.000 1.008 82 E CA 1.064 57.509 56.400 0.074 0.000 0.852 82 E CB -0.456 29.260 29.700 0.026 0.000 0.783 82 E HN 0.821 nan 8.360 nan 0.000 0.505 83 M N -1.907 117.544 119.600 -0.248 0.000 2.686 83 M HA -0.006 4.474 4.480 -0.000 0.000 0.246 83 M C 0.724 176.586 176.300 -0.730 0.000 1.096 83 M CA 1.184 56.158 55.300 -0.543 0.000 1.076 83 M CB -0.258 31.894 32.600 -0.747 0.000 1.504 83 M HN 0.040 nan 8.290 nan 0.000 0.524 84 W N 0.743 121.985 121.300 -0.097 0.000 3.103 84 W HA 0.318 4.978 4.660 -0.000 0.000 0.325 84 W C 0.236 176.678 176.519 -0.127 0.000 1.170 84 W CA -0.879 56.379 57.345 -0.146 0.000 1.712 84 W CB 0.072 29.478 29.460 -0.090 0.000 1.068 84 W HN 0.097 nan 8.180 nan 0.000 0.592 85 N N 1.441 120.176 118.700 0.058 0.000 2.445 85 N HA 0.213 4.953 4.740 -0.000 0.000 0.264 85 N C -2.496 172.972 175.510 -0.071 0.000 1.227 85 N CA -1.544 51.517 53.050 0.018 0.000 0.963 85 N CB -0.183 38.321 38.487 0.029 0.000 1.188 85 N HN -0.375 nan 8.380 nan 0.000 0.491 86 P HA 0.061 nan 4.420 nan 0.000 0.265 86 P C 0.240 177.477 177.300 -0.106 0.000 1.193 86 P CA 0.026 63.061 63.100 -0.108 0.000 0.765 86 P CB 0.321 31.970 31.700 -0.085 0.000 0.823 87 N N 2.369 120.989 118.700 -0.132 0.000 2.204 87 N HA 0.084 4.824 4.740 -0.000 0.000 0.219 87 N C 0.076 175.534 175.510 -0.087 0.000 1.151 87 N CA 0.008 52.989 53.050 -0.114 0.000 0.867 87 N CB 0.464 38.865 38.487 -0.143 0.000 1.043 87 N HN 0.200 nan 8.380 nan 0.000 0.516 88 R N 0.401 120.848 120.500 -0.089 0.000 2.799 88 R HA 0.249 4.589 4.340 -0.000 0.000 0.270 88 R C -0.661 175.599 176.300 -0.067 0.000 1.010 88 R CA -0.652 55.407 56.100 -0.068 0.000 0.916 88 R CB 1.534 31.791 30.300 -0.072 0.000 1.228 88 R HN 0.280 nan 8.270 nan 0.000 0.469 89 E N 2.051 122.215 120.200 -0.059 0.000 2.452 89 E HA 0.018 4.368 4.350 -0.000 0.000 0.261 89 E C -0.449 176.112 176.600 -0.066 0.000 0.987 89 E CA 0.189 56.555 56.400 -0.057 0.000 0.926 89 E CB 0.621 30.289 29.700 -0.053 0.000 0.934 89 E HN 0.270 nan 8.360 nan 0.000 0.452 90 M N 2.824 122.385 119.600 -0.065 0.000 2.274 90 M HA 0.236 4.716 4.480 -0.000 0.000 0.344 90 M C -0.093 176.155 176.300 -0.086 0.000 1.161 90 M CA -0.049 55.205 55.300 -0.077 0.000 1.126 90 M CB 1.597 34.153 32.600 -0.073 0.000 1.522 90 M HN 0.470 nan 8.290 nan 0.000 0.461 91 S N 0.292 115.928 115.700 -0.106 0.000 2.558 91 S HA 0.186 4.656 4.470 -0.000 0.000 0.277 91 S C -0.016 174.495 174.600 -0.149 0.000 1.143 91 S CA -0.708 57.424 58.200 -0.113 0.000 0.865 91 S CB 1.400 64.558 63.200 -0.070 0.000 1.102 91 S HN 0.849 nan 8.310 nan 0.000 0.454 92 E N 0.905 120.992 120.200 -0.190 0.000 2.265 92 E HA -0.100 4.249 4.350 -0.000 0.000 0.196 92 E C -0.265 176.263 176.600 -0.119 0.000 0.996 92 E CA 0.783 57.047 56.400 -0.227 0.000 0.832 92 E CB 0.073 29.631 29.700 -0.237 0.000 0.756 92 E HN 0.553 nan 8.360 nan 0.000 0.491 93 D N -0.081 120.286 120.400 -0.055 0.000 2.483 93 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 93 D C -0.008 176.380 176.300 0.145 0.000 1.173 93 D CA -0.291 53.724 54.000 0.024 0.000 0.964 93 D CB -0.021 40.812 40.800 0.055 0.000 1.046 93 D HN 0.114 nan 8.370 nan 0.000 0.517 94 c N 2.327 120.992 118.600 0.108 0.000 3.772 94 c HA 0.375 4.945 4.570 -0.000 0.000 0.293 94 c C 0.671 174.876 174.090 0.192 0.000 1.659 94 c CA -0.705 55.750 56.329 0.210 0.000 1.810 94 c CB -1.337 41.209 42.510 0.061 0.000 3.059 94 c HN 0.432 nan 8.230 nan 0.000 0.617 95 L N 2.601 123.706 121.223 -0.197 0.000 2.382 95 L HA 0.366 4.706 4.340 -0.000 0.000 0.259 95 L C -0.740 175.457 176.870 -1.122 0.000 1.291 95 L CA 0.588 55.063 54.840 -0.609 0.000 1.176 95 L CB -0.765 40.794 42.059 -0.832 0.000 1.373 95 L HN 0.382 nan 8.230 nan 0.000 0.426 96 Y N 1.904 122.046 120.300 -0.263 0.000 2.665 96 Y HA 0.724 5.274 4.550 -0.000 0.000 0.336 96 Y C -0.120 175.889 175.900 0.180 0.000 1.085 96 Y CA -1.351 56.664 58.100 -0.142 0.000 1.096 96 Y CB 1.755 40.153 38.460 -0.103 0.000 1.301 96 Y HN 0.159 nan 8.280 nan 0.000 0.493 97 L N -0.375 120.983 121.223 0.225 0.000 2.415 97 L HA 0.754 5.094 4.340 -0.000 0.000 0.256 97 L C -1.362 175.521 176.870 0.022 0.000 1.010 97 L CA -1.112 53.804 54.840 0.126 0.000 0.826 97 L CB 1.848 43.887 42.059 -0.033 0.000 1.405 97 L HN 0.455 nan 8.230 nan 0.000 0.410 98 N N 1.552 120.282 118.700 0.050 0.000 2.362 98 N HA 0.805 5.545 4.740 -0.000 0.000 0.299 98 N C -1.210 174.189 175.510 -0.186 0.000 1.170 98 N CA -0.326 52.663 53.050 -0.101 0.000 0.825 98 N CB 2.676 41.126 38.487 -0.063 0.000 1.299 98 N HN 0.680 nan 8.380 nan 0.000 0.502 99 I N -0.057 120.277 120.570 -0.392 0.000 2.692 99 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 99 I C -1.113 174.859 176.117 -0.242 0.000 1.200 99 I CA -0.700 60.488 61.300 -0.187 0.000 1.036 99 I CB 2.522 40.395 38.000 -0.211 0.000 1.258 99 I HN 0.229 nan 8.210 nan 0.000 0.421 100 W N 5.440 126.882 121.300 0.235 0.000 2.471 100 W HA 0.624 5.284 4.660 -0.000 0.000 0.318 100 W C -1.088 175.578 176.519 0.246 0.000 1.034 100 W CA -0.702 56.787 57.345 0.240 0.000 1.224 100 W CB 2.204 31.774 29.460 0.184 0.000 1.335 100 W HN 0.061 nan 8.180 nan 0.000 0.452 101 V N 4.844 125.027 119.914 0.448 0.000 2.487 101 V HA 0.299 4.418 4.120 -0.000 0.000 0.298 101 V C -2.045 174.240 176.094 0.319 0.000 1.028 101 V CA -2.358 60.166 62.300 0.372 0.000 0.860 101 V CB 2.102 34.181 31.823 0.427 0.000 0.991 101 V HN 0.240 nan 8.190 nan 0.000 0.427 102 P HA 0.123 nan 4.420 nan 0.000 0.268 102 P C -0.617 176.802 177.300 0.197 0.000 1.208 102 P CA 0.261 63.485 63.100 0.207 0.000 0.777 102 P CB 0.562 32.342 31.700 0.133 0.000 0.875 103 S N 1.914 117.729 115.700 0.192 0.000 2.605 103 S HA 0.518 4.988 4.470 -0.000 0.000 0.308 103 S C -2.475 172.205 174.600 0.134 0.000 1.113 103 S CA -1.578 56.721 58.200 0.164 0.000 1.049 103 S CB 0.148 63.452 63.200 0.174 0.000 1.001 103 S HN 0.262 nan 8.310 nan 0.000 0.480 104 P HA 0.116 nan 4.420 nan 0.000 0.267 104 P C -0.475 176.887 177.300 0.103 0.000 1.200 104 P CA -0.469 62.688 63.100 0.094 0.000 0.772 104 P CB 0.373 32.114 31.700 0.068 0.000 0.855 105 R N 2.909 123.476 120.500 0.112 0.000 2.480 105 R HA 0.101 4.441 4.340 -0.000 0.000 0.303 105 R C -1.875 174.478 176.300 0.088 0.000 0.985 105 R CA -0.897 55.275 56.100 0.120 0.000 1.051 105 R CB -0.496 29.876 30.300 0.120 0.000 0.935 105 R HN 0.364 nan 8.270 nan 0.000 0.410 106 P HA 0.032 nan 4.420 nan 0.000 0.271 106 P C -0.152 177.178 177.300 0.050 0.000 1.244 106 P CA -0.248 62.889 63.100 0.063 0.000 0.793 106 P CB 0.699 32.438 31.700 0.066 0.000 0.984 107 K N -0.421 119.998 120.400 0.031 0.000 2.078 107 K HA 0.097 4.416 4.320 -0.000 0.000 0.203 107 K C 0.547 177.150 176.600 0.005 0.000 1.043 107 K CA 1.071 57.368 56.287 0.017 0.000 0.960 107 K CB -0.018 32.488 32.500 0.009 0.000 0.761 107 K HN 0.290 nan 8.250 nan 0.000 0.448 108 S N 0.945 116.646 115.700 0.002 0.000 2.680 108 S HA 0.113 4.583 4.470 -0.000 0.000 0.140 108 S C -0.839 173.758 174.600 -0.004 0.000 1.357 108 S CA -0.521 57.671 58.200 -0.012 0.000 1.201 108 S CB 0.692 63.874 63.200 -0.030 0.000 1.547 108 S HN 0.163 nan 8.310 nan 0.000 0.411 109 T N 1.745 116.307 114.554 0.013 0.000 2.884 109 T HA 0.554 4.904 4.350 -0.000 0.000 0.277 109 T C 0.260 174.967 174.700 0.012 0.000 0.976 109 T CA -0.015 62.094 62.100 0.014 0.000 0.956 109 T CB 0.927 69.813 68.868 0.030 0.000 1.113 109 T HN 0.487 nan 8.240 nan 0.000 0.554 110 T N 1.985 116.542 114.554 0.006 0.000 2.940 110 T HA 0.373 4.723 4.350 -0.000 0.000 0.309 110 T C -0.394 174.323 174.700 0.028 0.000 1.056 110 T CA -0.333 61.767 62.100 -0.001 0.000 1.137 110 T CB 0.374 69.228 68.868 -0.024 0.000 0.976 110 T HN 0.405 nan 8.240 nan 0.000 0.547 111 V N 4.558 124.493 119.914 0.035 0.000 2.495 111 V HA 0.492 4.612 4.120 -0.000 0.000 0.298 111 V C -0.138 176.008 176.094 0.086 0.000 1.031 111 V CA -0.789 61.556 62.300 0.076 0.000 0.871 111 V CB 1.668 33.540 31.823 0.081 0.000 0.988 111 V HN 0.845 nan 8.190 nan 0.000 0.432 112 M N 4.603 124.282 119.600 0.130 0.000 2.190 112 M HA 0.564 5.044 4.480 -0.000 0.000 0.312 112 M C -1.203 175.340 176.300 0.404 0.000 0.990 112 M CA -0.638 54.761 55.300 0.165 0.000 0.927 112 M CB 2.207 34.781 32.600 -0.043 0.000 1.571 112 M HN 0.361 nan 8.290 nan 0.000 0.427 113 V N 3.169 123.355 119.914 0.453 0.000 2.370 113 V HA 0.336 4.456 4.120 -0.000 0.000 0.283 113 V C -0.796 175.578 176.094 0.467 0.000 1.023 113 V CA -0.605 61.938 62.300 0.406 0.000 0.857 113 V CB 1.480 33.409 31.823 0.176 0.000 0.985 113 V HN 0.853 nan 8.190 nan 0.000 0.443 114 W N 6.975 128.347 121.300 0.120 0.000 2.351 114 W HA 0.616 5.276 4.660 -0.000 0.000 0.311 114 W C -1.255 175.131 176.519 -0.222 0.000 1.168 114 W CA -0.772 56.381 57.345 -0.320 0.000 1.200 114 W CB 1.255 30.565 29.460 -0.250 0.000 1.221 114 W HN 0.447 nan 8.180 nan 0.000 0.519 115 I N 9.412 129.290 120.570 -1.152 0.000 2.405 115 I HA 0.049 4.219 4.170 -0.000 0.000 0.280 115 I C -0.167 175.177 176.117 -1.288 0.000 1.027 115 I CA -1.074 59.653 61.300 -0.956 0.000 1.161 115 I CB 0.415 38.036 38.000 -0.631 0.000 1.300 115 I HN 0.289 nan 8.210 nan 0.000 0.463 116 Y N 4.497 124.312 120.300 -0.808 0.000 2.607 116 Y HA 0.553 5.103 4.550 -0.000 0.000 0.348 116 Y C 0.772 176.532 175.900 -0.234 0.000 1.261 116 Y CA -0.652 57.159 58.100 -0.482 0.000 1.480 116 Y CB -0.143 38.317 38.460 -0.001 0.000 1.358 116 Y HN 0.489 nan 8.280 nan 0.000 0.630 117 G N -0.995 107.859 108.800 0.091 0.000 2.828 117 G HA2 0.524 4.484 3.960 -0.000 0.000 0.244 117 G HA3 0.524 4.484 3.960 -0.000 0.000 0.244 117 G C 0.162 175.026 174.900 -0.060 0.000 1.365 117 G CA -0.977 44.090 45.100 -0.056 0.000 1.041 117 G HN 1.702 nan 8.290 nan 0.000 0.560 118 G N -2.642 105.976 108.800 -0.303 0.000 2.263 118 G HA2 0.416 4.376 3.960 -0.000 0.000 0.207 118 G HA3 0.416 4.376 3.960 -0.000 0.000 0.207 118 G C 1.027 175.445 174.900 -0.802 0.000 1.072 118 G CA 0.707 45.506 45.100 -0.502 0.000 0.800 118 G HN 2.304 nan 8.290 nan 0.000 0.491 119 G N -0.448 107.895 108.800 -0.761 0.000 2.212 119 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.267 119 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.267 119 G C 0.936 175.609 174.900 -0.378 0.000 1.002 119 G CA 0.885 45.358 45.100 -1.044 0.000 0.729 119 G HN 1.803 nan 8.290 nan 0.000 0.517 120 F N -3.385 116.480 119.950 -0.142 0.000 2.871 120 F HA -0.288 4.239 4.527 -0.000 0.000 0.326 120 F C 1.375 177.268 175.800 0.155 0.000 0.675 120 F CA 1.969 59.986 58.000 0.029 0.000 1.188 120 F CB -2.095 36.796 39.000 -0.183 0.000 1.567 120 F HN 0.932 nan 8.300 nan 0.000 0.325 121 Y N -1.081 119.293 120.300 0.125 0.000 2.527 121 Y HA 0.675 5.225 4.550 -0.000 0.000 0.247 121 Y C 0.508 176.511 175.900 0.172 0.000 1.138 121 Y CA 0.211 58.405 58.100 0.157 0.000 1.228 121 Y CB 0.049 38.522 38.460 0.022 0.000 1.252 121 Y HN 0.124 nan 8.280 nan 0.000 0.531 122 S N -0.955 114.540 115.700 -0.340 0.000 2.655 122 S HA 0.840 5.309 4.470 -0.000 0.000 0.266 122 S C -0.304 174.133 174.600 -0.272 0.000 1.149 122 S CA -0.489 57.554 58.200 -0.263 0.000 0.818 122 S CB 1.285 64.280 63.200 -0.342 0.000 1.130 122 S HN 1.363 nan 8.310 nan 0.000 0.476 123 G N -0.303 108.302 108.800 -0.325 0.000 2.402 123 G HA2 0.441 4.401 3.960 -0.000 0.000 0.666 123 G HA3 0.441 4.401 3.960 -0.000 0.000 0.666 123 G C -1.025 173.205 174.900 -1.116 0.000 1.402 123 G CA -0.266 44.471 45.100 -0.606 0.000 0.920 123 G HN 1.383 nan 8.290 nan 0.000 0.651 124 S N -1.010 114.037 115.700 -1.087 0.000 2.588 124 S HA 0.745 5.215 4.470 -0.000 0.000 0.275 124 S C 0.965 175.399 174.600 -0.277 0.000 1.130 124 S CA 0.072 57.839 58.200 -0.720 0.000 0.855 124 S CB 1.843 64.844 63.200 -0.333 0.000 1.116 124 S HN 1.911 nan 8.310 nan 0.000 0.472 125 S N -0.486 115.258 115.700 0.074 0.000 2.548 125 S HA -0.014 4.456 4.470 -0.000 0.000 0.215 125 S C 1.256 175.943 174.600 0.145 0.000 0.976 125 S CA 0.654 59.082 58.200 0.381 0.000 0.908 125 S CB -0.519 62.937 63.200 0.426 0.000 0.781 125 S HN 0.826 nan 8.310 nan 0.000 0.519 126 T N 0.180 114.619 114.554 -0.192 0.000 3.105 126 T HA 0.422 4.772 4.350 -0.000 0.000 0.253 126 T C 0.502 174.889 174.700 -0.521 0.000 1.047 126 T CA -0.550 61.122 62.100 -0.713 0.000 0.944 126 T CB -0.555 67.745 68.868 -0.947 0.000 1.016 126 T HN 0.297 nan 8.240 nan 0.000 0.544 127 L N 1.989 122.997 121.223 -0.358 0.000 2.499 127 L HA 0.147 4.486 4.340 -0.000 0.000 0.281 127 L C 1.309 177.931 176.870 -0.414 0.000 1.234 127 L CA -0.422 54.130 54.840 -0.479 0.000 0.839 127 L CB 0.363 41.933 42.059 -0.815 0.000 1.104 127 L HN 0.116 nan 8.230 nan 0.000 0.500 128 D N 0.993 121.170 120.400 -0.371 0.000 2.178 128 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 128 D C 1.927 178.027 176.300 -0.332 0.000 0.974 128 D CA 0.909 54.759 54.000 -0.250 0.000 0.841 128 D CB 0.145 40.817 40.800 -0.213 0.000 0.953 128 D HN 0.397 nan 8.370 nan 0.000 0.478 129 V N 0.428 120.005 119.914 -0.562 0.000 3.078 129 V HA -0.201 3.919 4.120 -0.000 0.000 0.265 129 V C 0.732 176.441 176.094 -0.642 0.000 1.122 129 V CA 1.156 63.100 62.300 -0.592 0.000 1.141 129 V CB -0.541 30.816 31.823 -0.776 0.000 0.735 129 V HN 0.119 nan 8.190 nan 0.000 0.498 130 Y N -0.537 119.348 120.300 -0.691 0.000 2.524 130 Y HA 0.404 4.954 4.550 -0.000 0.000 0.266 130 Y C 1.024 176.539 175.900 -0.642 0.000 1.180 130 Y CA -1.447 56.002 58.100 -1.085 0.000 1.244 130 Y CB -1.022 37.050 38.460 -0.646 0.000 1.125 130 Y HN 0.220 nan 8.280 nan 0.000 0.524 131 N N 1.567 120.130 118.700 -0.228 0.000 2.417 131 N HA -0.044 4.696 4.740 -0.000 0.000 0.272 131 N C 1.334 176.601 175.510 -0.405 0.000 1.304 131 N CA 0.706 53.650 53.050 -0.176 0.000 0.906 131 N CB 1.081 39.562 38.487 -0.011 0.000 1.135 131 N HN 0.487 nan 8.380 nan 0.000 0.483 132 G N 3.407 111.439 108.800 -1.280 0.000 2.813 132 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.209 132 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.209 132 G C 1.449 175.742 174.900 -1.012 0.000 1.150 132 G CA 0.430 44.846 45.100 -1.141 0.000 0.785 132 G HN 0.760 nan 8.290 nan 0.000 0.535 133 K N -0.338 119.355 120.400 -1.178 0.000 2.103 133 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 133 K C 1.807 178.213 176.600 -0.322 0.000 1.048 133 K CA 1.243 57.184 56.287 -0.576 0.000 0.930 133 K CB -0.580 31.650 32.500 -0.450 0.000 0.716 133 K HN 0.383 nan 8.250 nan 0.000 0.444 134 Y N 0.959 121.179 120.300 -0.133 0.000 2.200 134 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 134 Y C 2.421 178.321 175.900 0.001 0.000 1.137 134 Y CA 0.725 58.796 58.100 -0.047 0.000 1.163 134 Y CB -0.306 38.100 38.460 -0.089 0.000 0.988 134 Y HN 0.047 nan 8.280 nan 0.000 0.518 135 L N 0.348 121.615 121.223 0.073 0.000 2.044 135 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 135 L C 2.391 179.280 176.870 0.031 0.000 1.075 135 L CA 1.930 56.763 54.840 -0.013 0.000 0.747 135 L CB -1.186 40.764 42.059 -0.182 0.000 0.903 135 L HN 0.125 nan 8.230 nan 0.000 0.435 136 A N -1.361 121.490 122.820 0.052 0.000 1.940 136 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 136 A C 2.321 179.990 177.584 0.142 0.000 1.176 136 A CA 2.007 54.120 52.037 0.126 0.000 0.631 136 A CB -1.205 17.934 19.000 0.231 0.000 0.814 136 A HN 0.674 nan 8.150 nan 0.000 0.446 137 Y N 0.864 121.189 120.300 0.042 0.000 2.153 137 Y HA -0.149 4.401 4.550 -0.000 0.000 0.289 137 Y C 2.634 178.562 175.900 0.045 0.000 1.127 137 Y CA 2.371 60.500 58.100 0.048 0.000 1.131 137 Y CB -0.518 37.955 38.460 0.020 0.000 0.995 137 Y HN 0.281 nan 8.280 nan 0.000 0.505 138 T N 0.306 114.902 114.554 0.070 0.000 2.867 138 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 138 T C 1.196 175.864 174.700 -0.055 0.000 1.057 138 T CA 1.581 63.666 62.100 -0.024 0.000 1.136 138 T CB -0.081 68.845 68.868 0.097 0.000 0.874 138 T HN 0.326 nan 8.240 nan 0.000 0.466 139 E N 0.555 120.748 120.200 -0.011 0.000 2.498 139 E HA 0.118 4.468 4.350 -0.000 0.000 0.203 139 E C 0.027 176.625 176.600 -0.003 0.000 1.013 139 E CA 0.004 56.412 56.400 0.014 0.000 0.927 139 E CB 0.182 29.900 29.700 0.030 0.000 1.012 139 E HN 0.574 nan 8.360 nan 0.000 0.482 140 E N 0.284 120.468 120.200 -0.028 0.000 2.252 140 E HA -0.165 4.185 4.350 -0.000 0.000 0.218 140 E C -0.112 176.508 176.600 0.033 0.000 1.253 140 E CA 0.490 56.885 56.400 -0.007 0.000 0.705 140 E CB -1.873 27.812 29.700 -0.026 0.000 1.172 140 E HN 0.132 nan 8.360 nan 0.000 0.369 141 V N -3.681 116.267 119.914 0.058 0.000 3.046 141 V HA 0.675 4.795 4.120 -0.000 0.000 0.316 141 V C 0.366 176.538 176.094 0.129 0.000 1.104 141 V CA -1.098 61.245 62.300 0.071 0.000 1.006 141 V CB 2.309 34.157 31.823 0.042 0.000 1.058 141 V HN -0.031 nan 8.190 nan 0.000 0.440 142 V N 3.656 123.652 119.914 0.136 0.000 2.368 142 V HA 0.355 4.475 4.120 -0.000 0.000 0.266 142 V C -0.119 176.108 176.094 0.221 0.000 1.045 142 V CA -0.120 62.293 62.300 0.188 0.000 0.899 142 V CB 0.811 32.726 31.823 0.154 0.000 1.006 142 V HN 0.741 nan 8.190 nan 0.000 0.470 143 L N 7.618 129.034 121.223 0.321 0.000 2.272 143 L HA 0.620 4.960 4.340 -0.000 0.000 0.289 143 L C -0.282 176.891 176.870 0.505 0.000 1.032 143 L CA 0.219 55.301 54.840 0.404 0.000 0.810 143 L CB 1.613 43.916 42.059 0.406 0.000 1.205 143 L HN 0.401 nan 8.230 nan 0.000 0.422 144 V N 3.728 123.900 119.914 0.431 0.000 2.513 144 V HA 0.599 4.719 4.120 -0.000 0.000 0.299 144 V C -0.132 176.234 176.094 0.453 0.000 1.035 144 V CA -0.564 61.954 62.300 0.363 0.000 0.889 144 V CB 1.789 33.743 31.823 0.218 0.000 0.988 144 V HN 0.813 nan 8.190 nan 0.000 0.440 145 S N 4.796 120.762 115.700 0.443 0.000 2.640 145 S HA 0.723 5.193 4.470 -0.000 0.000 0.320 145 S C -0.706 174.075 174.600 0.301 0.000 1.097 145 S CA -0.648 57.840 58.200 0.481 0.000 1.092 145 S CB 0.477 64.088 63.200 0.684 0.000 0.988 145 S HN 0.602 nan 8.310 nan 0.000 0.470 146 L N 3.282 124.625 121.223 0.200 0.000 2.397 146 L HA 1.002 5.342 4.340 -0.000 0.000 0.266 146 L C 0.044 177.051 176.870 0.228 0.000 1.040 146 L CA -0.667 54.252 54.840 0.131 0.000 0.800 146 L CB 0.697 42.711 42.059 -0.075 0.000 1.324 146 L HN 0.589 nan 8.230 nan 0.000 0.469 147 S N -1.491 114.401 115.700 0.319 0.000 2.618 147 S HA 0.895 5.365 4.470 -0.000 0.000 0.277 147 S C -1.349 173.516 174.600 0.441 0.000 1.138 147 S CA -0.548 57.881 58.200 0.382 0.000 0.844 147 S CB 1.545 65.006 63.200 0.435 0.000 1.127 147 S HN 1.235 nan 8.310 nan 0.000 0.474 148 Y N -1.749 118.677 120.300 0.211 0.000 2.558 148 Y HA 0.671 5.221 4.550 -0.000 0.000 0.333 148 Y C -0.788 175.247 175.900 0.225 0.000 1.125 148 Y CA -1.382 56.829 58.100 0.186 0.000 1.039 148 Y CB 0.672 39.197 38.460 0.108 0.000 1.331 148 Y HN 0.781 nan 8.280 nan 0.000 0.456 149 R N 2.010 122.627 120.500 0.195 0.000 2.570 149 R HA 0.480 4.820 4.340 -0.000 0.000 0.277 149 R C -0.090 176.351 176.300 0.235 0.000 1.039 149 R CA -0.017 56.157 56.100 0.124 0.000 1.065 149 R CB 0.680 31.027 30.300 0.078 0.000 0.964 149 R HN 0.695 nan 8.270 nan 0.000 0.428 150 V N -0.049 120.028 119.914 0.271 0.000 3.166 150 V HA 0.896 5.016 4.120 -0.000 0.000 0.317 150 V C 0.776 177.182 176.094 0.520 0.000 1.136 150 V CA -0.075 62.508 62.300 0.472 0.000 1.035 150 V CB 1.235 33.235 31.823 0.296 0.000 1.110 150 V HN 0.981 nan 8.190 nan 0.000 0.450 151 G N 0.738 109.890 108.800 0.586 0.000 2.575 151 G HA2 0.014 3.974 3.960 -0.000 0.000 0.267 151 G HA3 0.014 3.974 3.960 -0.000 0.000 0.267 151 G C 1.010 176.080 174.900 0.283 0.000 1.264 151 G CA 0.989 46.377 45.100 0.480 0.000 0.935 151 G HN 2.205 nan 8.290 nan 0.000 0.568 152 A N -1.260 121.423 122.820 -0.229 0.000 1.940 152 A HA 0.176 4.495 4.320 -0.000 0.000 0.219 152 A C 2.255 179.687 177.584 -0.253 0.000 1.176 152 A CA 2.651 54.196 52.037 -0.820 0.000 0.631 152 A CB -0.552 17.784 19.000 -1.108 0.000 0.814 152 A HN 1.011 nan 8.150 nan 0.000 0.446 153 F N -0.026 119.967 119.950 0.072 0.000 2.202 153 F HA -0.032 4.495 4.527 -0.000 0.000 0.301 153 F C 2.394 178.192 175.800 -0.003 0.000 1.082 153 F CA 1.201 59.212 58.000 0.019 0.000 1.313 153 F CB -0.525 38.437 39.000 -0.063 0.000 1.024 153 F HN 0.301 nan 8.300 nan 0.000 0.495 154 G N -2.705 106.163 108.800 0.113 0.000 3.062 154 G HA2 0.114 4.074 3.960 -0.000 0.000 0.228 154 G HA3 0.114 4.074 3.960 -0.000 0.000 0.228 154 G C 0.626 175.017 174.900 -0.848 0.000 1.094 154 G CA 0.056 44.973 45.100 -0.305 0.000 0.782 154 G HN 0.323 nan 8.290 nan 0.000 0.541 155 F N -0.426 119.598 119.950 0.122 0.000 2.880 155 F HA 0.414 4.941 4.527 -0.000 0.000 0.328 155 F C 0.257 176.099 175.800 0.070 0.000 1.146 155 F CA -1.026 57.026 58.000 0.087 0.000 1.135 155 F CB 0.423 39.493 39.000 0.117 0.000 1.151 155 F HN -0.071 nan 8.300 nan 0.000 0.523 156 L N 2.274 123.497 121.223 0.000 0.000 2.540 156 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 156 L C 0.062 176.903 176.870 -0.048 0.000 1.212 156 L CA 0.200 54.935 54.840 -0.175 0.000 0.893 156 L CB 0.325 42.013 42.059 -0.618 0.000 1.138 156 L HN 0.154 nan 8.230 nan 0.000 0.491 157 A N 6.686 129.519 122.820 0.022 0.000 2.375 157 A HA 0.679 4.998 4.320 -0.000 0.000 0.295 157 A C -1.072 176.525 177.584 0.022 0.000 1.066 157 A CA -0.492 51.566 52.037 0.035 0.000 0.722 157 A CB 0.887 19.940 19.000 0.088 0.000 1.206 157 A HN 0.692 nan 8.150 nan 0.000 0.435 158 L N 3.484 124.716 121.223 0.014 0.000 2.470 158 L HA 0.245 4.585 4.340 -0.000 0.000 0.253 158 L C -0.225 176.686 176.870 0.069 0.000 1.163 158 L CA -0.794 54.059 54.840 0.021 0.000 0.932 158 L CB 0.750 42.789 42.059 -0.033 0.000 1.213 158 L HN 0.918 nan 8.230 nan 0.000 0.485 159 H N 1.798 120.867 119.070 -0.000 0.000 3.167 159 H HA 0.233 4.789 4.556 -0.000 0.000 0.306 159 H C 1.070 176.402 175.328 0.007 0.000 0.965 159 H CA 1.851 57.905 56.048 0.010 0.000 1.408 159 H CB 0.758 30.529 29.762 0.015 0.000 1.406 159 H HN 0.736 nan 8.280 nan 0.000 0.576 160 G N 2.555 111.150 108.800 -0.343 0.000 2.561 160 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.203 160 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.203 160 G C 0.489 175.314 174.900 -0.124 0.000 1.101 160 G CA 0.105 45.061 45.100 -0.240 0.000 0.711 160 G HN 0.887 nan 8.290 nan 0.000 0.511 161 S N 0.405 116.064 115.700 -0.069 0.000 2.592 161 S HA 0.542 5.012 4.470 -0.000 0.000 0.271 161 S C 0.926 175.514 174.600 -0.021 0.000 1.326 161 S CA 0.456 58.637 58.200 -0.033 0.000 1.024 161 S CB 1.231 64.421 63.200 -0.017 0.000 0.921 161 S HN 0.305 nan 8.310 nan 0.000 0.527 162 Q N 1.419 121.217 119.800 -0.003 0.000 2.194 162 Q HA 0.237 4.577 4.340 -0.000 0.000 0.214 162 Q C 0.557 176.575 176.000 0.030 0.000 0.838 162 Q CA -0.014 55.796 55.803 0.011 0.000 0.972 162 Q CB 0.543 29.286 28.738 0.009 0.000 1.131 162 Q HN 0.689 nan 8.270 nan 0.000 0.498 163 E N 0.346 120.567 120.200 0.035 0.000 2.251 163 E HA 0.168 4.517 4.350 -0.000 0.000 0.194 163 E C 0.219 176.872 176.600 0.090 0.000 0.964 163 E CA 0.424 56.862 56.400 0.064 0.000 0.868 163 E CB 0.792 30.533 29.700 0.067 0.000 0.828 163 E HN 0.105 nan 8.360 nan 0.000 0.481 164 A N 2.177 125.021 122.820 0.041 0.000 3.370 164 A HA 0.292 4.612 4.320 -0.000 0.000 0.295 164 A C -2.009 175.578 177.584 0.005 0.000 1.030 164 A CA -0.896 51.148 52.037 0.011 0.000 0.883 164 A CB 0.582 19.498 19.000 -0.141 0.000 1.191 164 A HN -0.114 nan 8.150 nan 0.000 0.507 165 P HA 0.106 nan 4.420 nan 0.000 0.221 165 P C 0.885 178.235 177.300 0.083 0.000 1.150 165 P CA 1.843 64.977 63.100 0.057 0.000 0.800 165 P CB 0.194 31.927 31.700 0.055 0.000 0.787 166 G N 0.387 109.217 108.800 0.051 0.000 2.629 166 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 166 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 166 G C -0.160 174.752 174.900 0.019 0.000 1.232 166 G CA -0.306 44.829 45.100 0.057 0.000 0.803 166 G HN 0.124 nan 8.290 nan 0.000 0.638 167 N N -2.206 116.503 118.700 0.015 0.000 2.753 167 N HA -0.286 4.454 4.740 -0.000 0.000 0.251 167 N C 1.944 177.316 175.510 -0.230 0.000 1.097 167 N CA 2.356 55.350 53.050 -0.095 0.000 0.786 167 N CB -1.629 36.729 38.487 -0.215 0.000 1.137 167 N HN 1.890 nan 8.380 nan 0.000 0.566 168 V N -2.803 116.969 119.914 -0.236 0.000 2.594 168 V HA -0.024 4.096 4.120 -0.000 0.000 0.253 168 V C 2.311 178.266 176.094 -0.232 0.000 1.069 168 V CA 2.267 64.466 62.300 -0.168 0.000 1.082 168 V CB -0.888 30.880 31.823 -0.093 0.000 0.680 168 V HN 0.284 nan 8.190 nan 0.000 0.469 169 G N 0.327 108.775 108.800 -0.586 0.000 2.408 169 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 169 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 169 G C 1.541 176.411 174.900 -0.050 0.000 1.150 169 G CA 1.009 45.886 45.100 -0.371 0.000 0.776 169 G HN 0.526 nan 8.290 nan 0.000 0.542 170 L N -0.126 121.028 121.223 -0.115 0.000 2.093 170 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 170 L C 2.780 179.674 176.870 0.039 0.000 1.085 170 L CA 0.392 55.144 54.840 -0.146 0.000 0.755 170 L CB -0.245 41.415 42.059 -0.664 0.000 0.904 170 L HN 0.184 nan 8.230 nan 0.000 0.435 171 L N -0.700 120.542 121.223 0.031 0.000 2.217 171 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 171 L C 2.088 179.040 176.870 0.136 0.000 1.107 171 L CA 0.710 55.635 54.840 0.142 0.000 0.783 171 L CB -0.533 41.590 42.059 0.106 0.000 0.919 171 L HN 0.269 nan 8.230 nan 0.000 0.442 172 D N -0.062 120.414 120.400 0.128 0.000 2.117 172 D HA -0.185 4.454 4.640 -0.000 0.000 0.197 172 D C 2.254 178.643 176.300 0.149 0.000 0.987 172 D CA 1.109 55.247 54.000 0.229 0.000 0.829 172 D CB -0.083 40.886 40.800 0.283 0.000 0.961 172 D HN 0.402 nan 8.370 nan 0.000 0.460 173 Q N 0.241 120.088 119.800 0.078 0.000 2.050 173 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 173 Q C 2.295 178.234 176.000 -0.101 0.000 0.980 173 Q CA 0.970 56.741 55.803 -0.054 0.000 0.840 173 Q CB -0.037 28.686 28.738 -0.025 0.000 0.898 173 Q HN 0.174 nan 8.270 nan 0.000 0.424 174 R N 0.591 121.128 120.500 0.061 0.000 2.091 174 R HA -0.167 4.172 4.340 -0.000 0.000 0.238 174 R C 2.182 178.475 176.300 -0.012 0.000 1.136 174 R CA 1.650 57.773 56.100 0.039 0.000 0.959 174 R CB -0.177 30.231 30.300 0.180 0.000 0.856 174 R HN 0.256 nan 8.270 nan 0.000 0.437 175 M N -0.117 119.495 119.600 0.020 0.000 2.296 175 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 175 M C 1.959 178.199 176.300 -0.101 0.000 1.064 175 M CA 1.775 57.107 55.300 0.054 0.000 1.109 175 M CB 0.089 32.808 32.600 0.200 0.000 1.396 175 M HN 0.315 nan 8.290 nan 0.000 0.430 176 A N 0.083 122.609 122.820 -0.490 0.000 1.929 176 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 176 A C 1.957 179.413 177.584 -0.213 0.000 1.176 176 A CA 1.136 52.686 52.037 -0.811 0.000 0.628 176 A CB -0.801 17.495 19.000 -1.173 0.000 0.816 176 A HN 0.549 nan 8.150 nan 0.000 0.444 177 L N -0.930 120.201 121.223 -0.152 0.000 2.141 177 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 177 L C 2.771 179.681 176.870 0.067 0.000 1.094 177 L CA 1.524 56.343 54.840 -0.035 0.000 0.763 177 L CB -0.407 41.596 42.059 -0.093 0.000 0.908 177 L HN 0.465 nan 8.230 nan 0.000 0.437 178 Q N -0.293 119.541 119.800 0.056 0.000 2.167 178 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 178 Q C 1.985 178.091 176.000 0.177 0.000 0.970 178 Q CA 1.740 57.596 55.803 0.089 0.000 0.855 178 Q CB -0.404 28.374 28.738 0.066 0.000 0.911 178 Q HN 0.513 nan 8.270 nan 0.000 0.438 179 W N -0.926 120.385 121.300 0.018 0.000 2.388 179 W HA -0.086 4.574 4.660 -0.000 0.000 0.294 179 W C 1.629 178.180 176.519 0.052 0.000 1.212 179 W CA 1.367 58.746 57.345 0.056 0.000 1.271 179 W CB 0.012 29.503 29.460 0.052 0.000 1.126 179 W HN -0.017 nan 8.180 nan 0.000 0.535 180 V N 0.253 120.381 119.914 0.357 0.000 2.427 180 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 180 V C 2.517 178.619 176.094 0.013 0.000 1.051 180 V CA 2.282 64.707 62.300 0.208 0.000 1.048 180 V CB -1.256 30.690 31.823 0.206 0.000 0.666 180 V HN 0.359 nan 8.190 nan 0.000 0.456 181 H N 0.307 119.355 119.070 -0.037 0.000 2.387 181 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 181 H C 1.658 176.894 175.328 -0.153 0.000 1.090 181 H CA 1.866 57.870 56.048 -0.074 0.000 1.332 181 H CB 0.186 29.927 29.762 -0.035 0.000 1.386 181 H HN 0.432 nan 8.280 nan 0.000 0.516 182 D N -0.576 119.741 120.400 -0.139 0.000 2.346 182 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 182 D C 1.137 177.201 176.300 -0.393 0.000 1.001 182 D CA 0.255 54.115 54.000 -0.234 0.000 0.871 182 D CB 0.184 40.922 40.800 -0.103 0.000 0.943 182 D HN 0.434 nan 8.370 nan 0.000 0.518 183 N N -0.015 118.356 118.700 -0.549 0.000 2.239 183 N HA 0.033 4.772 4.740 -0.000 0.000 0.208 183 N C 1.548 176.850 175.510 -0.347 0.000 1.200 183 N CA -0.157 52.568 53.050 -0.543 0.000 0.895 183 N CB 1.103 38.963 38.487 -1.046 0.000 1.085 183 N HN 0.007 nan 8.380 nan 0.000 0.500 184 I N 3.215 123.620 120.570 -0.276 0.000 2.423 184 I HA -0.264 3.905 4.170 -0.000 0.000 0.254 184 I C 2.545 178.629 176.117 -0.054 0.000 1.151 184 I CA 1.409 62.697 61.300 -0.020 0.000 1.421 184 I CB -0.196 37.793 38.000 -0.018 0.000 1.079 184 I HN 0.193 nan 8.210 nan 0.000 0.431 185 Q N -0.693 118.892 119.800 -0.359 0.000 2.181 185 Q HA -0.245 4.095 4.340 -0.000 0.000 0.205 185 Q C 1.819 177.628 176.000 -0.318 0.000 0.980 185 Q CA 1.746 57.317 55.803 -0.387 0.000 0.862 185 Q CB -0.895 27.501 28.738 -0.571 0.000 0.905 185 Q HN 0.430 nan 8.270 nan 0.000 0.429 186 F N -0.339 119.557 119.950 -0.089 0.000 2.604 186 F HA 0.105 4.632 4.527 -0.000 0.000 0.298 186 F C 0.830 176.377 175.800 -0.421 0.000 1.131 186 F CA 0.182 58.024 58.000 -0.262 0.000 1.457 186 F CB -0.118 38.651 39.000 -0.385 0.000 1.095 186 F HN 0.005 nan 8.300 nan 0.000 0.574 187 F N -0.670 119.274 119.950 -0.009 0.000 2.653 187 F HA 0.453 4.980 4.527 -0.000 0.000 0.304 187 F C 1.694 177.492 175.800 -0.003 0.000 1.092 187 F CA 0.161 58.132 58.000 -0.050 0.000 1.279 187 F CB 0.144 39.073 39.000 -0.117 0.000 1.044 187 F HN 0.015 nan 8.300 nan 0.000 0.564 188 G N 0.287 109.152 108.800 0.108 0.000 2.141 188 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.231 188 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.231 188 G C 0.473 175.408 174.900 0.059 0.000 0.984 188 G CA -0.281 44.863 45.100 0.074 0.000 0.660 188 G HN 0.724 nan 8.290 nan 0.000 0.525 189 G N -0.530 108.301 108.800 0.052 0.000 2.410 189 G HA2 0.533 4.493 3.960 -0.000 0.000 0.330 189 G HA3 0.533 4.493 3.960 -0.000 0.000 0.330 189 G C -0.912 173.969 174.900 -0.032 0.000 1.142 189 G CA 0.134 45.250 45.100 0.027 0.000 0.902 189 G HN 0.283 nan 8.290 nan 0.000 0.491 190 D N 1.488 121.870 120.400 -0.030 0.000 2.380 190 D HA 0.270 4.910 4.640 -0.000 0.000 0.230 190 D C -1.042 175.221 176.300 -0.061 0.000 1.154 190 D CA -2.340 51.625 54.000 -0.058 0.000 0.859 190 D CB 1.739 42.513 40.800 -0.043 0.000 1.045 190 D HN 0.073 nan 8.370 nan 0.000 0.495 191 P HA -0.088 nan 4.420 nan 0.000 0.234 191 P C 0.400 177.669 177.300 -0.052 0.000 1.167 191 P CA 0.617 63.654 63.100 -0.106 0.000 0.763 191 P CB 0.296 31.839 31.700 -0.262 0.000 0.835 192 K N -0.707 119.659 120.400 -0.057 0.000 2.400 192 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 192 K C 0.235 176.822 176.600 -0.022 0.000 1.033 192 K CA 0.666 56.934 56.287 -0.033 0.000 1.021 192 K CB 0.174 32.646 32.500 -0.047 0.000 0.808 192 K HN 0.039 nan 8.250 nan 0.000 0.505 193 T N 1.212 115.754 114.554 -0.019 0.000 3.504 193 T HA 0.170 4.519 4.350 -0.000 0.000 0.286 193 T C -1.052 173.653 174.700 0.008 0.000 1.530 193 T CA -0.386 61.703 62.100 -0.019 0.000 1.652 193 T CB 0.861 69.705 68.868 -0.039 0.000 0.895 193 T HN -0.120 nan 8.240 nan 0.000 0.674 194 V N 2.022 121.967 119.914 0.052 0.000 2.459 194 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 194 V C -0.436 175.741 176.094 0.137 0.000 1.029 194 V CA -0.035 62.322 62.300 0.096 0.000 0.874 194 V CB 1.754 33.657 31.823 0.133 0.000 0.985 194 V HN 0.591 nan 8.190 nan 0.000 0.438 195 T N 8.356 122.976 114.554 0.110 0.000 2.794 195 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 195 T C -0.199 174.605 174.700 0.173 0.000 0.987 195 T CA -0.133 62.044 62.100 0.128 0.000 0.993 195 T CB 0.836 69.723 68.868 0.032 0.000 0.939 195 T HN 0.771 nan 8.240 nan 0.000 0.449 196 I N 1.867 122.517 120.570 0.134 0.000 2.354 196 I HA 0.815 4.985 4.170 -0.000 0.000 0.292 196 I C -0.944 175.318 176.117 0.241 0.000 0.989 196 I CA -1.039 60.316 61.300 0.091 0.000 1.188 196 I CB 0.777 38.593 38.000 -0.306 0.000 1.342 196 I HN 0.437 nan 8.210 nan 0.000 0.457 197 F N 3.640 123.609 119.950 0.031 0.000 2.578 197 F HA 1.019 5.546 4.527 -0.000 0.000 0.311 197 F C -0.333 175.429 175.800 -0.063 0.000 1.094 197 F CA -1.618 56.435 58.000 0.089 0.000 0.923 197 F CB 1.363 40.536 39.000 0.289 0.000 1.230 197 F HN 0.761 nan 8.300 nan 0.000 0.450 198 G N 1.366 110.037 108.800 -0.215 0.000 2.677 198 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 198 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 198 G C -2.423 172.291 174.900 -0.309 0.000 1.435 198 G CA -0.801 43.841 45.100 -0.763 0.000 0.826 198 G HN 0.833 nan 8.290 nan 0.000 0.491 199 E N 0.365 120.348 120.200 -0.362 0.000 2.212 199 E HA 0.609 4.958 4.350 -0.000 0.000 0.268 199 E C 0.700 177.256 176.600 -0.073 0.000 0.902 199 E CA 0.220 56.609 56.400 -0.018 0.000 0.779 199 E CB 2.079 31.902 29.700 0.205 0.000 1.172 199 E HN 0.722 nan 8.360 nan 0.000 0.409 200 S N 2.854 118.580 115.700 0.044 0.000 4.139 200 S HA -0.398 4.072 4.470 -0.000 0.000 0.603 200 S C 1.460 176.130 174.600 0.118 0.000 1.897 200 S CA 2.149 60.441 58.200 0.154 0.000 4.241 200 S CB -1.609 61.628 63.200 0.061 0.000 0.221 200 S HN 0.924 nan 8.310 nan 0.000 0.488 201 A N 1.171 123.933 122.820 -0.098 0.000 2.070 201 A HA 0.207 4.527 4.320 -0.000 0.000 0.220 201 A C 2.364 179.698 177.584 -0.417 0.000 1.159 201 A CA 2.288 54.051 52.037 -0.455 0.000 0.656 201 A CB -1.428 16.980 19.000 -0.987 0.000 0.800 201 A HN 1.442 nan 8.150 nan 0.000 0.453 202 G N -0.474 108.150 108.800 -0.294 0.000 2.394 202 G HA2 0.093 4.053 3.960 -0.000 0.000 0.214 202 G HA3 0.093 4.053 3.960 -0.000 0.000 0.214 202 G C 1.520 176.261 174.900 -0.266 0.000 1.176 202 G CA 1.045 45.926 45.100 -0.365 0.000 0.786 202 G HN 0.637 nan 8.290 nan 0.000 0.533 203 G N 1.056 109.757 108.800 -0.165 0.000 2.422 203 G HA2 0.059 4.019 3.960 -0.000 0.000 0.218 203 G HA3 0.059 4.019 3.960 -0.000 0.000 0.218 203 G C 1.995 176.818 174.900 -0.128 0.000 1.146 203 G CA 1.496 46.533 45.100 -0.104 0.000 0.769 203 G HN 0.630 nan 8.290 nan 0.000 0.547 204 A N 0.611 123.379 122.820 -0.086 0.000 1.930 204 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 204 A C 2.690 180.240 177.584 -0.057 0.000 1.175 204 A CA 2.077 54.048 52.037 -0.109 0.000 0.627 204 A CB -0.458 18.510 19.000 -0.053 0.000 0.815 204 A HN 0.298 nan 8.150 nan 0.000 0.443 205 S N -0.364 115.321 115.700 -0.024 0.000 2.348 205 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 205 S C 1.920 176.496 174.600 -0.041 0.000 1.033 205 S CA 1.404 59.583 58.200 -0.035 0.000 1.010 205 S CB -0.524 62.614 63.200 -0.104 0.000 0.891 205 S HN 0.333 nan 8.310 nan 0.000 0.442 206 V N 1.745 121.621 119.914 -0.063 0.000 2.324 206 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 206 V C 2.573 178.630 176.094 -0.062 0.000 1.060 206 V CA 2.062 64.321 62.300 -0.069 0.000 1.042 206 V CB -1.447 30.299 31.823 -0.128 0.000 0.650 206 V HN 0.616 nan 8.190 nan 0.000 0.450 207 G N -1.184 107.529 108.800 -0.144 0.000 2.422 207 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 207 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 207 G C 1.567 176.447 174.900 -0.033 0.000 1.140 207 G CA 0.882 45.855 45.100 -0.213 0.000 0.775 207 G HN 0.471 nan 8.290 nan 0.000 0.545 208 M N -0.264 119.343 119.600 0.011 0.000 2.319 208 M HA 0.062 4.541 4.480 -0.000 0.000 0.265 208 M C 2.198 178.585 176.300 0.145 0.000 1.068 208 M CA 0.728 56.146 55.300 0.197 0.000 1.118 208 M CB -0.197 32.540 32.600 0.228 0.000 1.395 208 M HN 0.178 nan 8.290 nan 0.000 0.435 209 H N 0.015 119.187 119.070 0.170 0.000 2.462 209 H HA 0.053 4.609 4.556 -0.000 0.000 0.292 209 H C 2.101 177.600 175.328 0.285 0.000 1.049 209 H CA 1.224 57.364 56.048 0.155 0.000 1.334 209 H CB -0.055 29.701 29.762 -0.009 0.000 1.404 209 H HN 0.409 nan 8.280 nan 0.000 0.544 210 I N 0.566 121.380 120.570 0.407 0.000 2.315 210 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 210 I C 2.142 178.487 176.117 0.380 0.000 1.117 210 I CA 0.876 62.462 61.300 0.476 0.000 1.404 210 I CB -0.039 38.194 38.000 0.388 0.000 1.071 210 I HN 0.137 nan 8.210 nan 0.000 0.419 211 L N -0.563 120.849 121.223 0.315 0.000 2.162 211 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 211 L C 1.536 178.515 176.870 0.183 0.000 1.086 211 L CA 0.193 55.224 54.840 0.318 0.000 0.778 211 L CB -0.290 41.991 42.059 0.370 0.000 0.928 211 L HN 0.094 nan 8.230 nan 0.000 0.446 212 S N 0.410 116.122 115.700 0.020 0.000 2.488 212 S HA 0.120 4.590 4.470 -0.000 0.000 0.278 212 S C -1.530 172.944 174.600 -0.210 0.000 1.259 212 S CA -1.314 56.700 58.200 -0.311 0.000 1.061 212 S CB 0.955 63.522 63.200 -1.055 0.000 0.910 212 S HN -0.089 nan 8.310 nan 0.000 0.491 213 P HA -0.035 nan 4.420 nan 0.000 0.217 213 P C 1.383 178.595 177.300 -0.146 0.000 1.148 213 P CA 1.138 64.167 63.100 -0.119 0.000 0.828 213 P CB -0.095 31.544 31.700 -0.102 0.000 0.783 214 G N -1.587 107.069 108.800 -0.240 0.000 2.650 214 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.214 214 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.214 214 G C 1.348 176.172 174.900 -0.128 0.000 1.136 214 G CA 0.462 45.443 45.100 -0.198 0.000 0.789 214 G HN 0.226 nan 8.290 nan 0.000 0.536 215 S N -0.414 115.235 115.700 -0.084 0.000 2.506 215 S HA 0.124 4.594 4.470 -0.000 0.000 0.219 215 S C 2.174 176.872 174.600 0.164 0.000 1.031 215 S CA -0.441 57.825 58.200 0.111 0.000 0.911 215 S CB 0.201 63.614 63.200 0.355 0.000 0.812 215 S HN 0.329 nan 8.310 nan 0.000 0.497 216 R N 2.105 122.636 120.500 0.053 0.000 2.134 216 R HA -0.146 4.194 4.340 -0.000 0.000 0.248 216 R C 0.666 176.795 176.300 -0.285 0.000 1.143 216 R CA 1.762 57.798 56.100 -0.107 0.000 0.957 216 R CB -0.516 29.739 30.300 -0.076 0.000 0.867 216 R HN 0.378 nan 8.270 nan 0.000 0.441 217 D N 0.332 120.628 120.400 -0.173 0.000 2.336 217 D HA 0.005 4.645 4.640 -0.000 0.000 0.229 217 D C 1.233 177.436 176.300 -0.161 0.000 1.061 217 D CA 0.529 54.421 54.000 -0.181 0.000 0.875 217 D CB 0.241 40.955 40.800 -0.144 0.000 0.904 217 D HN 0.285 nan 8.370 nan 0.000 0.525 218 L N -0.037 121.134 121.223 -0.085 0.000 2.607 218 L HA 0.155 4.495 4.340 -0.000 0.000 0.228 218 L C -0.062 176.946 176.870 0.230 0.000 1.123 218 L CA 0.011 54.875 54.840 0.041 0.000 0.890 218 L CB -0.069 42.031 42.059 0.069 0.000 1.103 218 L HN -0.065 nan 8.230 nan 0.000 0.468 219 F N -4.417 115.532 119.950 -0.001 0.000 2.693 219 F HA 0.534 5.061 4.527 -0.000 0.000 0.309 219 F C 0.323 176.138 175.800 0.024 0.000 1.129 219 F CA -1.364 56.646 58.000 0.017 0.000 0.948 219 F CB 1.112 40.118 39.000 0.011 0.000 1.315 219 F HN -0.388 nan 8.300 nan 0.000 0.447 220 R N 0.816 121.363 120.500 0.078 0.000 2.087 220 R HA 0.468 4.807 4.340 -0.000 0.000 0.216 220 R C -0.025 176.304 176.300 0.048 0.000 1.114 220 R CA 1.101 57.187 56.100 -0.024 0.000 1.002 220 R CB 0.269 30.561 30.300 -0.013 0.000 0.903 220 R HN 0.801 nan 8.270 nan 0.000 0.445 221 R N -1.552 119.077 120.500 0.215 0.000 2.869 221 R HA 0.757 5.097 4.340 -0.000 0.000 0.263 221 R C -1.541 175.007 176.300 0.413 0.000 1.066 221 R CA -0.714 55.532 56.100 0.244 0.000 0.960 221 R CB 2.192 32.461 30.300 -0.051 0.000 1.221 221 R HN 0.172 nan 8.270 nan 0.000 0.474 222 A N 1.265 124.319 122.820 0.391 0.000 2.488 222 A HA 0.641 4.961 4.320 -0.000 0.000 0.298 222 A C -1.178 176.518 177.584 0.187 0.000 1.044 222 A CA -0.613 51.578 52.037 0.256 0.000 0.693 222 A CB 1.195 20.305 19.000 0.183 0.000 1.272 222 A HN 0.557 nan 8.150 nan 0.000 0.402 223 I N 2.164 122.806 120.570 0.120 0.000 2.406 223 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 223 I C -1.368 174.795 176.117 0.078 0.000 0.999 223 I CA -0.663 60.635 61.300 -0.003 0.000 1.124 223 I CB 1.768 39.721 38.000 -0.077 0.000 1.289 223 I HN 0.443 nan 8.210 nan 0.000 0.441 224 L N 6.816 128.058 121.223 0.031 0.000 2.319 224 L HA 0.423 4.763 4.340 -0.000 0.000 0.281 224 L C -0.430 176.520 176.870 0.134 0.000 1.005 224 L CA -0.264 54.599 54.840 0.039 0.000 0.828 224 L CB 1.419 43.438 42.059 -0.067 0.000 1.227 224 L HN 0.494 nan 8.230 nan 0.000 0.415 225 Q N 1.897 121.831 119.800 0.223 0.000 2.347 225 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 225 Q C 0.033 176.169 176.000 0.226 0.000 0.980 225 Q CA -0.624 55.386 55.803 0.344 0.000 0.867 225 Q CB 1.503 30.538 28.738 0.495 0.000 1.242 225 Q HN 0.633 nan 8.270 nan 0.000 0.453 226 S N 1.128 116.951 115.700 0.205 0.000 3.559 226 S HA -0.163 4.307 4.470 -0.000 0.000 0.369 226 S C 0.036 174.788 174.600 0.253 0.000 0.987 226 S CA 0.600 58.937 58.200 0.228 0.000 1.187 226 S CB -1.156 62.222 63.200 0.297 0.000 0.914 226 S HN 0.991 nan 8.310 nan 0.000 0.480 227 G N -0.329 108.560 108.800 0.147 0.000 2.633 227 G HA2 0.579 4.539 3.960 -0.000 0.000 0.299 227 G HA3 0.579 4.539 3.960 -0.000 0.000 0.299 227 G C -0.962 173.897 174.900 -0.068 0.000 1.501 227 G CA 0.096 45.282 45.100 0.144 0.000 0.887 227 G HN 1.103 nan 8.290 nan 0.000 0.561 228 S N 1.473 117.059 115.700 -0.190 0.000 2.579 228 S HA 0.802 5.272 4.470 -0.000 0.000 0.272 228 S C -2.047 172.279 174.600 -0.457 0.000 1.141 228 S CA -1.057 56.887 58.200 -0.428 0.000 0.843 228 S CB 3.002 65.934 63.200 -0.446 0.000 1.122 228 S HN 0.437 nan 8.310 nan 0.000 0.468 229 P HA -0.141 nan 4.420 nan 0.000 0.218 229 P C 0.665 177.743 177.300 -0.371 0.000 1.148 229 P CA 1.415 64.291 63.100 -0.374 0.000 0.822 229 P CB -0.307 31.218 31.700 -0.291 0.000 0.784 230 N N -0.656 117.854 118.700 -0.317 0.000 2.449 230 N HA -0.026 4.714 4.740 -0.000 0.000 0.191 230 N C 0.190 175.476 175.510 -0.373 0.000 1.161 230 N CA -0.105 52.790 53.050 -0.258 0.000 0.863 230 N CB -1.380 37.073 38.487 -0.057 0.000 0.980 230 N HN 0.060 nan 8.380 nan 0.000 0.458 231 C N 2.769 121.734 119.300 -0.558 0.000 2.665 231 C HA 0.064 4.524 4.460 -0.000 0.000 0.416 231 C C -0.064 174.453 174.990 -0.788 0.000 1.305 231 C CA -0.907 57.644 59.018 -0.778 0.000 1.903 231 C CB 1.031 27.962 27.740 -1.350 0.000 2.704 231 C HN 0.360 nan 8.230 nan 0.000 0.629 232 P HA -0.111 nan 4.420 nan 0.000 0.222 232 P C 1.192 178.273 177.300 -0.365 0.000 1.147 232 P CA 1.873 64.683 63.100 -0.483 0.000 0.790 232 P CB -0.068 31.331 31.700 -0.501 0.000 0.780 233 W N -1.226 119.930 121.300 -0.239 0.000 3.114 233 W HA 0.535 5.195 4.660 -0.000 0.000 0.279 233 W C 1.293 177.847 176.519 0.058 0.000 1.277 233 W CA 0.349 57.630 57.345 -0.107 0.000 1.630 233 W CB -1.123 28.292 29.460 -0.076 0.000 1.087 233 W HN -0.131 nan 8.180 nan 0.000 0.637 234 A N 1.528 123.971 122.820 -0.627 0.000 2.209 234 A HA 0.148 4.468 4.320 -0.000 0.000 0.212 234 A C 0.999 178.429 177.584 -0.256 0.000 1.158 234 A CA 1.273 53.088 52.037 -0.370 0.000 0.742 234 A CB -0.631 17.914 19.000 -0.759 0.000 0.790 234 A HN 0.272 nan 8.150 nan 0.000 0.472 235 S N -2.175 113.368 115.700 -0.262 0.000 2.587 235 S HA 0.600 5.070 4.470 -0.000 0.000 0.269 235 S C -0.863 173.614 174.600 -0.206 0.000 1.154 235 S CA -0.108 57.931 58.200 -0.269 0.000 0.824 235 S CB 1.141 64.125 63.200 -0.360 0.000 1.118 235 S HN 1.427 nan 8.310 nan 0.000 0.462 236 V N -0.983 118.824 119.914 -0.178 0.000 3.159 236 V HA 0.947 5.066 4.120 -0.000 0.000 0.308 236 V C 0.130 176.146 176.094 -0.130 0.000 1.190 236 V CA -0.385 61.830 62.300 -0.142 0.000 1.037 236 V CB 1.152 32.907 31.823 -0.114 0.000 1.060 236 V HN 1.612 nan 8.190 nan 0.000 0.437 237 S N 0.818 116.450 115.700 -0.113 0.000 2.624 237 S HA 0.366 4.836 4.470 -0.000 0.000 0.263 237 S C 1.354 175.899 174.600 -0.093 0.000 1.287 237 S CA 0.020 58.157 58.200 -0.105 0.000 0.990 237 S CB 1.226 64.373 63.200 -0.088 0.000 0.950 237 S HN 2.130 nan 8.310 nan 0.000 0.561 238 V N -1.154 118.692 119.914 -0.113 0.000 2.407 238 V HA -0.027 4.093 4.120 -0.000 0.000 0.248 238 V C 2.605 178.671 176.094 -0.045 0.000 1.055 238 V CA 1.715 63.952 62.300 -0.105 0.000 1.049 238 V CB -2.086 29.601 31.823 -0.228 0.000 0.662 238 V HN 1.008 nan 8.190 nan 0.000 0.455 239 A N 0.791 123.583 122.820 -0.047 0.000 1.877 239 A HA -0.247 4.072 4.320 -0.000 0.000 0.216 239 A C 2.231 179.792 177.584 -0.038 0.000 1.186 239 A CA 2.213 54.233 52.037 -0.030 0.000 0.620 239 A CB -0.756 18.226 19.000 -0.030 0.000 0.822 239 A HN 0.657 nan 8.150 nan 0.000 0.443 240 E N 0.096 120.263 120.200 -0.055 0.000 2.150 240 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 240 E C 1.900 178.460 176.600 -0.068 0.000 0.985 240 E CA 1.487 57.843 56.400 -0.072 0.000 0.814 240 E CB -0.770 28.877 29.700 -0.089 0.000 0.752 240 E HN 0.406 nan 8.360 nan 0.000 0.466 241 G N 0.542 109.315 108.800 -0.045 0.000 2.408 241 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 241 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 241 G C 1.745 176.653 174.900 0.014 0.000 1.150 241 G CA 0.737 45.832 45.100 -0.008 0.000 0.776 241 G HN 0.315 nan 8.290 nan 0.000 0.542 242 R N 0.082 120.585 120.500 0.004 0.000 2.075 242 R HA 0.075 4.415 4.340 -0.000 0.000 0.232 242 R C 2.574 178.870 176.300 -0.006 0.000 1.126 242 R CA 0.889 56.994 56.100 0.007 0.000 0.963 242 R CB -0.358 29.950 30.300 0.012 0.000 0.858 242 R HN 0.203 nan 8.270 nan 0.000 0.435 243 R N 0.513 120.999 120.500 -0.024 0.000 2.094 243 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 243 R C 2.335 178.611 176.300 -0.041 0.000 1.137 243 R CA 2.116 58.193 56.100 -0.038 0.000 0.943 243 R CB -0.158 30.105 30.300 -0.061 0.000 0.850 243 R HN 0.309 nan 8.270 nan 0.000 0.433 244 R N -0.510 119.955 120.500 -0.057 0.000 2.092 244 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 244 R C 2.279 178.619 176.300 0.066 0.000 1.119 244 R CA 1.219 57.277 56.100 -0.070 0.000 0.970 244 R CB -0.275 29.895 30.300 -0.217 0.000 0.864 244 R HN 0.232 nan 8.270 nan 0.000 0.440 245 A N 0.701 123.578 122.820 0.095 0.000 1.898 245 A HA -0.088 4.231 4.320 -0.000 0.000 0.216 245 A C 2.294 179.887 177.584 0.015 0.000 1.181 245 A CA 1.226 53.311 52.037 0.081 0.000 0.620 245 A CB -0.347 18.657 19.000 0.006 0.000 0.819 245 A HN 0.113 nan 8.150 nan 0.000 0.442 246 V N -0.121 119.796 119.914 0.004 0.000 2.667 246 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 246 V C 2.456 178.552 176.094 0.003 0.000 1.065 246 V CA 2.100 64.397 62.300 -0.005 0.000 1.083 246 V CB -0.466 31.352 31.823 -0.008 0.000 0.692 246 V HN 0.671 nan 8.190 nan 0.000 0.468 247 E N 0.377 120.580 120.200 0.006 0.000 2.208 247 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 247 E C 1.865 178.483 176.600 0.029 0.000 0.988 247 E CA 0.801 57.204 56.400 0.005 0.000 0.828 247 E CB -0.236 29.452 29.700 -0.020 0.000 0.763 247 E HN 0.442 nan 8.360 nan 0.000 0.478 248 L N -0.391 120.867 121.223 0.059 0.000 2.056 248 L HA 0.115 4.455 4.340 -0.000 0.000 0.207 248 L C 2.109 179.000 176.870 0.036 0.000 1.078 248 L CA 2.232 57.119 54.840 0.078 0.000 0.749 248 L CB -0.970 41.161 42.059 0.120 0.000 0.901 248 L HN 0.212 nan 8.230 nan 0.000 0.433 249 G N -0.883 107.925 108.800 0.014 0.000 2.418 249 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 249 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 249 G C 1.822 176.735 174.900 0.021 0.000 1.158 249 G CA 0.726 45.832 45.100 0.010 0.000 0.771 249 G HN 0.389 nan 8.290 nan 0.000 0.545 250 R N 0.347 120.858 120.500 0.019 0.000 2.120 250 R HA -0.025 4.315 4.340 -0.000 0.000 0.234 250 R C 2.099 178.415 176.300 0.027 0.000 1.123 250 R CA 1.144 57.256 56.100 0.020 0.000 0.975 250 R CB -0.242 30.066 30.300 0.014 0.000 0.866 250 R HN 0.281 nan 8.270 nan 0.000 0.446 251 N N 0.279 118.999 118.700 0.034 0.000 2.512 251 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 251 N C 0.494 176.031 175.510 0.046 0.000 1.073 251 N CA 0.803 53.879 53.050 0.042 0.000 0.911 251 N CB 0.275 38.794 38.487 0.054 0.000 0.964 251 N HN 0.260 nan 8.380 nan 0.000 0.447 252 L N 0.610 121.858 121.223 0.042 0.000 3.202 252 L HA 0.255 4.595 4.340 -0.000 0.000 0.278 252 L C -0.302 176.592 176.870 0.040 0.000 1.268 252 L CA -0.306 54.560 54.840 0.045 0.000 1.034 252 L CB -0.014 42.074 42.059 0.047 0.000 1.407 252 L HN -0.096 nan 8.230 nan 0.000 0.581 253 N N -0.012 118.709 118.700 0.035 0.000 2.699 253 N HA -0.191 4.549 4.740 -0.000 0.000 0.256 253 N C -0.147 175.383 175.510 0.033 0.000 0.993 253 N CA 0.594 53.662 53.050 0.031 0.000 0.759 253 N CB -1.364 37.142 38.487 0.032 0.000 0.906 253 N HN 0.340 nan 8.380 nan 0.000 0.541 254 c N 0.725 119.345 118.600 0.032 0.000 2.382 254 c HA 0.260 4.830 4.570 -0.000 0.000 0.363 254 c C 1.317 175.424 174.090 0.029 0.000 1.213 254 c CA -0.989 55.362 56.329 0.036 0.000 2.363 254 c CB 1.162 43.692 42.510 0.034 0.000 2.397 254 c HN 0.433 nan 8.230 nan 0.000 0.573 255 N N 1.948 120.667 118.700 0.033 0.000 2.431 255 N HA 0.117 4.857 4.740 -0.000 0.000 0.265 255 N C 0.054 175.574 175.510 0.017 0.000 1.184 255 N CA 0.200 53.263 53.050 0.022 0.000 0.943 255 N CB 0.414 38.913 38.487 0.020 0.000 1.080 255 N HN 0.607 nan 8.380 nan 0.000 0.477 256 L N 2.934 124.164 121.223 0.011 0.000 2.653 256 L HA 0.179 4.519 4.340 -0.000 0.000 0.231 256 L C 1.346 178.219 176.870 0.004 0.000 1.153 256 L CA -0.231 54.613 54.840 0.006 0.000 0.933 256 L CB -0.176 41.886 42.059 0.005 0.000 1.175 256 L HN 0.429 nan 8.230 nan 0.000 0.473 257 N N 0.505 119.208 118.700 0.004 0.000 2.453 257 N HA -0.053 4.686 4.740 -0.000 0.000 0.183 257 N C 0.607 176.117 175.510 0.000 0.000 1.041 257 N CA 0.792 53.843 53.050 0.001 0.000 0.900 257 N CB 0.294 38.781 38.487 -0.000 0.000 0.961 257 N HN 0.466 nan 8.380 nan 0.000 0.443 258 S N -1.501 114.200 115.700 0.001 0.000 2.578 258 S HA 0.252 4.722 4.470 -0.000 0.000 0.272 258 S C -0.171 174.430 174.600 0.002 0.000 1.145 258 S CA -0.878 57.322 58.200 0.001 0.000 0.835 258 S CB 1.499 64.699 63.200 0.000 0.000 1.104 258 S HN -0.239 nan 8.310 nan 0.000 0.458 259 D N 1.263 121.662 120.400 -0.001 0.000 2.123 259 D HA -0.087 4.553 4.640 -0.000 0.000 0.196 259 D C 1.522 177.828 176.300 0.009 0.000 0.992 259 D CA 1.949 55.946 54.000 -0.006 0.000 0.833 259 D CB -0.250 40.544 40.800 -0.010 0.000 0.954 259 D HN 0.710 nan 8.370 nan 0.000 0.455 260 E N 1.077 121.288 120.200 0.019 0.000 2.038 260 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 260 E C 2.094 178.735 176.600 0.069 0.000 1.000 260 E CA 1.147 57.572 56.400 0.041 0.000 0.803 260 E CB -0.229 29.488 29.700 0.028 0.000 0.750 260 E HN 0.450 nan 8.360 nan 0.000 0.448 261 E N 0.021 120.246 120.200 0.041 0.000 2.106 261 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 261 E C 2.053 178.702 176.600 0.083 0.000 0.984 261 E CA 0.714 57.143 56.400 0.048 0.000 0.806 261 E CB -0.137 29.568 29.700 0.008 0.000 0.750 261 E HN 0.099 nan 8.360 nan 0.000 0.458 262 L N 1.311 122.561 121.223 0.046 0.000 1.994 262 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 262 L C 2.064 178.955 176.870 0.035 0.000 1.071 262 L CA 1.661 56.517 54.840 0.028 0.000 0.745 262 L CB -0.350 41.704 42.059 -0.009 0.000 0.892 262 L HN 0.095 nan 8.230 nan 0.000 0.431 263 I N -0.748 119.840 120.570 0.030 0.000 2.286 263 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 263 I C 2.611 178.805 176.117 0.129 0.000 1.115 263 I CA 1.425 62.751 61.300 0.044 0.000 1.392 263 I CB -0.717 37.307 38.000 0.041 0.000 1.065 263 I HN 0.495 nan 8.210 nan 0.000 0.418 264 H N 0.538 119.642 119.070 0.056 0.000 2.387 264 H HA -0.230 4.326 4.556 -0.000 0.000 0.299 264 H C 2.400 177.766 175.328 0.063 0.000 1.090 264 H CA 2.051 58.136 56.048 0.061 0.000 1.332 264 H CB -0.229 29.556 29.762 0.039 0.000 1.386 264 H HN 0.467 nan 8.280 nan 0.000 0.516 265 c N 0.827 119.556 118.600 0.216 0.000 2.432 265 c HA -0.083 4.487 4.570 -0.000 0.000 0.277 265 c C 3.044 177.180 174.090 0.077 0.000 1.249 265 c CA 0.809 57.231 56.329 0.155 0.000 1.725 265 c CB -1.371 41.209 42.510 0.117 0.000 2.028 265 c HN 0.574 nan 8.230 nan 0.000 0.477 266 L N 0.187 121.464 121.223 0.090 0.000 2.275 266 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 266 L C 2.847 179.821 176.870 0.173 0.000 1.119 266 L CA 1.188 56.108 54.840 0.134 0.000 0.790 266 L CB -0.622 41.516 42.059 0.132 0.000 0.919 266 L HN 0.378 nan 8.230 nan 0.000 0.443 267 R N -0.493 120.065 120.500 0.097 0.000 2.200 267 R HA -0.041 4.299 4.340 -0.000 0.000 0.208 267 R C 1.790 178.048 176.300 -0.070 0.000 1.033 267 R CA 0.390 56.484 56.100 -0.010 0.000 1.000 267 R CB 0.096 30.356 30.300 -0.066 0.000 0.906 267 R HN 0.280 nan 8.270 nan 0.000 0.462 268 E N 0.801 120.952 120.200 -0.082 0.000 2.371 268 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 268 E C 0.108 176.709 176.600 0.003 0.000 1.012 268 E CA 0.619 56.986 56.400 -0.056 0.000 0.860 268 E CB 0.245 29.923 29.700 -0.036 0.000 0.811 268 E HN 0.094 nan 8.360 nan 0.000 0.502 269 K N 1.546 121.963 120.400 0.028 0.000 2.202 269 K HA 0.184 4.504 4.320 -0.000 0.000 0.264 269 K C 0.452 177.090 176.600 0.064 0.000 1.010 269 K CA -0.093 56.225 56.287 0.052 0.000 0.940 269 K CB 0.876 33.417 32.500 0.068 0.000 0.983 269 K HN -0.108 nan 8.250 nan 0.000 0.475 270 K N 2.166 122.608 120.400 0.071 0.000 2.185 270 K HA 0.080 4.400 4.320 -0.000 0.000 0.271 270 K C -1.633 175.049 176.600 0.137 0.000 1.013 270 K CA -1.676 54.657 56.287 0.077 0.000 0.943 270 K CB 0.427 32.962 32.500 0.059 0.000 0.998 270 K HN 0.166 nan 8.250 nan 0.000 0.468 271 P HA -0.261 nan 4.420 nan 0.000 0.217 271 P C 1.071 178.549 177.300 0.295 0.000 1.162 271 P CA 1.380 64.642 63.100 0.270 0.000 0.901 271 P CB 0.254 31.951 31.700 -0.005 0.000 0.793 272 Q N -0.300 119.598 119.800 0.163 0.000 2.364 272 Q HA -0.164 4.175 4.340 -0.000 0.000 0.209 272 Q C 1.810 177.906 176.000 0.161 0.000 0.977 272 Q CA 1.465 57.361 55.803 0.156 0.000 0.885 272 Q CB -0.721 28.077 28.738 0.100 0.000 0.941 272 Q HN 0.376 nan 8.270 nan 0.000 0.464 273 E N -1.090 119.198 120.200 0.147 0.000 2.112 273 E HA -0.119 4.230 4.350 -0.000 0.000 0.190 273 E C 1.478 178.153 176.600 0.126 0.000 0.979 273 E CA 0.668 57.142 56.400 0.122 0.000 0.814 273 E CB 0.084 29.841 29.700 0.096 0.000 0.762 273 E HN 0.245 nan 8.360 nan 0.000 0.460 274 L N 0.862 122.165 121.223 0.132 0.000 2.027 274 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 274 L C 2.226 179.169 176.870 0.121 0.000 1.074 274 L CA 1.382 56.260 54.840 0.064 0.000 0.745 274 L CB -0.479 41.522 42.059 -0.097 0.000 0.898 274 L HN 0.140 nan 8.230 nan 0.000 0.433 275 I N -0.485 120.216 120.570 0.219 0.000 2.163 275 I HA -0.330 3.839 4.170 -0.000 0.000 0.243 275 I C 2.019 178.315 176.117 0.299 0.000 1.085 275 I CA 1.347 62.820 61.300 0.288 0.000 1.347 275 I CB -0.552 37.655 38.000 0.344 0.000 1.044 275 I HN 0.285 nan 8.210 nan 0.000 0.408 276 D N 0.513 121.064 120.400 0.253 0.000 2.221 276 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 276 D C 1.936 178.382 176.300 0.243 0.000 0.982 276 D CA 1.618 55.769 54.000 0.251 0.000 0.857 276 D CB 0.049 40.957 40.800 0.179 0.000 0.934 276 D HN 0.412 nan 8.370 nan 0.000 0.475 277 V N -2.501 117.530 119.914 0.195 0.000 3.578 277 V HA 0.172 4.292 4.120 -0.000 0.000 0.290 277 V C 1.852 178.040 176.094 0.156 0.000 1.376 277 V CA 0.003 62.404 62.300 0.169 0.000 1.083 277 V CB 0.333 32.229 31.823 0.121 0.000 0.911 277 V HN -0.067 nan 8.190 nan 0.000 0.433 278 E N 1.022 121.306 120.200 0.139 0.000 2.108 278 E HA -0.290 4.060 4.350 -0.000 0.000 0.203 278 E C 1.556 178.053 176.600 -0.171 0.000 1.022 278 E CA 2.874 59.281 56.400 0.011 0.000 0.823 278 E CB -0.228 29.379 29.700 -0.155 0.000 0.744 278 E HN 0.836 nan 8.360 nan 0.000 0.456 279 W N 0.660 121.966 121.300 0.010 0.000 2.699 279 W HA 0.027 4.687 4.660 -0.000 0.000 0.249 279 W C 1.732 178.221 176.519 -0.051 0.000 1.280 279 W CA 0.014 57.320 57.345 -0.065 0.000 1.345 279 W CB -0.109 29.284 29.460 -0.113 0.000 1.128 279 W HN 0.089 nan 8.180 nan 0.000 0.642 280 N N 0.313 119.103 118.700 0.150 0.000 2.459 280 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 280 N C 1.798 177.316 175.510 0.015 0.000 1.046 280 N CA 1.497 54.598 53.050 0.086 0.000 0.904 280 N CB -0.577 37.961 38.487 0.085 0.000 0.964 280 N HN 0.264 nan 8.380 nan 0.000 0.444 281 V N -1.780 118.112 119.914 -0.037 0.000 3.623 281 V HA 0.196 4.316 4.120 -0.000 0.000 0.271 281 V C 0.861 176.856 176.094 -0.164 0.000 1.248 281 V CA 0.019 62.256 62.300 -0.105 0.000 1.156 281 V CB -0.745 30.987 31.823 -0.151 0.000 0.870 281 V HN 0.007 nan 8.190 nan 0.000 0.453 282 L N 1.102 122.246 121.223 -0.130 0.000 2.461 282 L HA 0.193 4.532 4.340 -0.000 0.000 0.272 282 L C -0.590 176.160 176.870 -0.200 0.000 1.197 282 L CA -0.972 53.781 54.840 -0.146 0.000 0.836 282 L CB 0.469 42.501 42.059 -0.045 0.000 1.105 282 L HN 0.125 nan 8.230 nan 0.000 0.477 283 P HA -0.086 nan 4.420 nan 0.000 0.215 283 P C -0.616 176.184 177.300 -0.832 0.000 1.157 283 P CA 1.403 64.077 63.100 -0.710 0.000 0.868 283 P CB 0.255 31.367 31.700 -0.980 0.000 0.788 284 F N -2.736 117.215 119.950 0.002 0.000 2.706 284 F HA 0.364 4.891 4.527 -0.000 0.000 0.328 284 F C 0.113 175.921 175.800 0.012 0.000 1.123 284 F CA -1.453 56.553 58.000 0.010 0.000 0.978 284 F CB -0.051 38.959 39.000 0.016 0.000 1.404 284 F HN -0.459 nan 8.300 nan 0.000 0.497 285 D N 1.027 121.568 120.400 0.235 0.000 2.389 285 D HA 0.465 5.104 4.640 -0.000 0.000 0.247 285 D C -0.231 176.149 176.300 0.134 0.000 1.128 285 D CA 0.467 54.544 54.000 0.128 0.000 0.884 285 D CB 1.044 41.896 40.800 0.087 0.000 1.194 285 D HN 0.680 nan 8.370 nan 0.000 0.441 286 S N 0.611 116.367 115.700 0.093 0.000 2.661 286 S HA 0.725 5.195 4.470 -0.000 0.000 0.268 286 S C -0.875 173.750 174.600 0.042 0.000 1.162 286 S CA -1.034 57.214 58.200 0.080 0.000 0.817 286 S CB 0.714 63.985 63.200 0.118 0.000 1.141 286 S HN 0.459 nan 8.310 nan 0.000 0.477 287 I N -3.169 117.423 120.570 0.037 0.000 2.769 287 I HA 0.818 4.988 4.170 -0.000 0.000 0.298 287 I C -0.456 175.668 176.117 0.011 0.000 1.128 287 I CA -1.044 60.277 61.300 0.034 0.000 1.031 287 I CB 1.602 39.642 38.000 0.068 0.000 1.235 287 I HN 0.833 nan 8.210 nan 0.000 0.423 288 F N 2.378 122.147 119.950 -0.301 0.000 3.080 288 F HA -0.168 4.359 4.527 -0.000 0.000 0.292 288 F C -0.418 174.818 175.800 -0.940 0.000 0.891 288 F CA 0.575 58.121 58.000 -0.756 0.000 1.086 288 F CB -0.583 37.954 39.000 -0.772 0.000 1.095 288 F HN 0.644 nan 8.300 nan 0.000 0.633 289 R N 0.569 120.635 120.500 -0.723 0.000 2.575 289 R HA 0.603 4.942 4.340 -0.000 0.000 0.293 289 R C -1.013 174.881 176.300 -0.676 0.000 0.983 289 R CA -0.533 55.206 56.100 -0.602 0.000 0.887 289 R CB 1.241 31.447 30.300 -0.157 0.000 1.184 289 R HN -0.013 nan 8.270 nan 0.000 0.445 290 F N -0.410 119.615 119.950 0.126 0.000 2.532 290 F HA 0.361 4.888 4.527 -0.000 0.000 0.321 290 F C 1.623 177.323 175.800 -0.166 0.000 1.089 290 F CA -0.863 57.129 58.000 -0.013 0.000 0.926 290 F CB 1.721 40.816 39.000 0.158 0.000 1.168 290 F HN 0.361 nan 8.300 nan 0.000 0.459 291 S N 0.986 116.534 115.700 -0.253 0.000 2.353 291 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 291 S C 0.114 174.264 174.600 -0.750 0.000 1.035 291 S CA 1.364 59.212 58.200 -0.586 0.000 1.025 291 S CB -0.282 62.416 63.200 -0.838 0.000 0.902 291 S HN 0.356 nan 8.310 nan 0.000 0.440 292 F N 1.459 121.415 119.950 0.011 0.000 2.347 292 F HA 0.561 5.088 4.527 -0.000 0.000 0.366 292 F C 0.047 175.865 175.800 0.031 0.000 1.107 292 F CA -0.987 57.053 58.000 0.066 0.000 1.058 292 F CB 1.159 40.234 39.000 0.126 0.000 1.236 292 F HN -0.078 nan 8.300 nan 0.000 0.456 293 V N 0.803 120.717 119.914 -0.001 0.000 3.158 293 V HA 0.766 4.886 4.120 -0.000 0.000 0.311 293 V C -2.902 172.926 176.094 -0.443 0.000 1.181 293 V CA -3.334 58.694 62.300 -0.454 0.000 1.054 293 V CB 1.964 33.671 31.823 -0.194 0.000 1.085 293 V HN 0.271 nan 8.190 nan 0.000 0.446 294 P HA 0.255 nan 4.420 nan 0.000 0.266 294 P C -0.631 176.585 177.300 -0.140 0.000 1.193 294 P CA 0.276 63.198 63.100 -0.298 0.000 0.770 294 P CB 0.429 31.891 31.700 -0.396 0.000 0.836 295 V N 0.670 120.583 119.914 -0.001 0.000 2.628 295 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 295 V C -0.067 176.046 176.094 0.033 0.000 1.045 295 V CA -0.841 61.445 62.300 -0.023 0.000 0.905 295 V CB 1.820 33.646 31.823 0.006 0.000 0.997 295 V HN 0.227 nan 8.190 nan 0.000 0.436 296 I N 4.986 125.507 120.570 -0.082 0.000 2.293 296 I HA 0.179 4.349 4.170 -0.000 0.000 0.299 296 I C 0.896 177.007 176.117 -0.009 0.000 1.153 296 I CA 0.251 61.517 61.300 -0.056 0.000 1.302 296 I CB -0.022 37.871 38.000 -0.178 0.000 1.460 296 I HN 0.983 nan 8.210 nan 0.000 0.552 297 D N 3.385 123.849 120.400 0.107 0.000 2.327 297 D HA 0.048 4.688 4.640 -0.000 0.000 0.205 297 D C 1.449 177.782 176.300 0.054 0.000 0.989 297 D CA 0.938 54.931 54.000 -0.012 0.000 0.873 297 D CB 0.363 41.239 40.800 0.126 0.000 0.955 297 D HN 0.627 nan 8.370 nan 0.000 0.515 298 G N 0.478 109.364 108.800 0.143 0.000 2.176 298 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.232 298 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.232 298 G C 0.684 175.666 174.900 0.137 0.000 0.986 298 G CA 0.561 45.738 45.100 0.129 0.000 0.643 298 G HN 0.539 nan 8.290 nan 0.000 0.522 299 E N -1.099 119.199 120.200 0.164 0.000 2.357 299 E HA 0.375 4.725 4.350 -0.000 0.000 0.190 299 E C 1.905 178.550 176.600 0.075 0.000 1.022 299 E CA -0.027 56.444 56.400 0.120 0.000 1.068 299 E CB -0.071 29.716 29.700 0.145 0.000 1.465 299 E HN 0.280 nan 8.360 nan 0.000 0.503 300 F N 0.566 120.471 119.950 -0.075 0.000 2.161 300 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 300 F C 0.074 175.617 175.800 -0.429 0.000 1.089 300 F CA 1.085 58.914 58.000 -0.285 0.000 1.282 300 F CB 0.230 38.982 39.000 -0.414 0.000 1.010 300 F HN -0.037 nan 8.300 nan 0.000 0.485 301 F N 0.782 120.876 119.950 0.239 0.000 2.382 301 F HA 0.362 4.889 4.527 -0.000 0.000 0.361 301 F C -1.543 174.297 175.800 0.066 0.000 1.109 301 F CA -2.894 55.189 58.000 0.138 0.000 1.031 301 F CB 0.687 39.771 39.000 0.139 0.000 1.234 301 F HN -0.254 nan 8.300 nan 0.000 0.445 302 P HA -0.151 nan 4.420 nan 0.000 0.214 302 P C 0.475 177.839 177.300 0.107 0.000 1.169 302 P CA 2.117 65.282 63.100 0.109 0.000 0.908 302 P CB 0.168 31.910 31.700 0.071 0.000 0.791 303 T N -6.584 108.038 114.554 0.113 0.000 2.654 303 T HA 0.452 4.802 4.350 -0.000 0.000 0.289 303 T C -0.421 174.312 174.700 0.054 0.000 1.062 303 T CA -0.604 61.538 62.100 0.070 0.000 1.041 303 T CB 0.686 69.583 68.868 0.048 0.000 1.417 303 T HN 0.013 nan 8.240 nan 0.000 0.510 304 S N 0.282 115.991 115.700 0.014 0.000 2.558 304 S HA 0.082 4.552 4.470 -0.000 0.000 0.291 304 S C 1.540 176.132 174.600 -0.012 0.000 1.306 304 S CA -0.576 57.609 58.200 -0.025 0.000 1.056 304 S CB -0.488 62.700 63.200 -0.021 0.000 0.836 304 S HN 0.665 nan 8.310 nan 0.000 0.504 305 L N 0.755 121.932 121.223 -0.077 0.000 2.079 305 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 305 L C 2.909 179.806 176.870 0.046 0.000 1.081 305 L CA 1.929 56.744 54.840 -0.042 0.000 0.752 305 L CB -0.734 41.238 42.059 -0.145 0.000 0.896 305 L HN 0.777 nan 8.230 nan 0.000 0.433 306 E N 0.651 120.873 120.200 0.037 0.000 2.051 306 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 306 E C 2.309 178.970 176.600 0.101 0.000 0.991 306 E CA 1.768 58.224 56.400 0.093 0.000 0.799 306 E CB -0.157 29.587 29.700 0.072 0.000 0.748 306 E HN 0.464 nan 8.360 nan 0.000 0.449 307 S N -0.470 115.272 115.700 0.070 0.000 2.399 307 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 307 S C 2.125 176.774 174.600 0.082 0.000 1.022 307 S CA 1.306 59.547 58.200 0.068 0.000 0.983 307 S CB -0.362 62.864 63.200 0.044 0.000 0.803 307 S HN 0.257 nan 8.310 nan 0.000 0.480 308 M N 0.747 120.409 119.600 0.104 0.000 2.175 308 M HA 0.080 4.560 4.480 -0.000 0.000 0.264 308 M C 2.136 178.579 176.300 0.238 0.000 1.063 308 M CA 1.296 56.683 55.300 0.145 0.000 1.119 308 M CB -0.532 32.180 32.600 0.187 0.000 1.377 308 M HN 0.322 nan 8.290 nan 0.000 0.415 309 L N -0.106 121.262 121.223 0.241 0.000 2.072 309 L HA -0.187 4.153 4.340 -0.000 0.000 0.205 309 L C 2.077 179.122 176.870 0.292 0.000 1.079 309 L CA 0.785 55.803 54.840 0.297 0.000 0.752 309 L CB -0.752 41.403 42.059 0.160 0.000 0.906 309 L HN 0.333 nan 8.230 nan 0.000 0.436 310 N N -0.237 118.578 118.700 0.192 0.000 2.244 310 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 310 N C 1.917 177.536 175.510 0.182 0.000 1.016 310 N CA 1.626 54.788 53.050 0.188 0.000 0.866 310 N CB -0.167 38.397 38.487 0.129 0.000 0.980 310 N HN 0.353 nan 8.380 nan 0.000 0.430 311 S N -1.206 114.522 115.700 0.047 0.000 2.575 311 S HA 0.271 4.741 4.470 -0.000 0.000 0.215 311 S C 1.380 175.651 174.600 -0.549 0.000 0.966 311 S CA 0.389 58.528 58.200 -0.100 0.000 0.911 311 S CB 0.243 63.397 63.200 -0.078 0.000 0.780 311 S HN 0.367 nan 8.310 nan 0.000 0.514 312 G N 2.052 110.360 108.800 -0.820 0.000 2.143 312 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 312 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 312 G C -0.017 174.001 174.900 -1.470 0.000 0.991 312 G CA 0.111 44.032 45.100 -1.964 0.000 0.689 312 G HN 0.705 nan 8.290 nan 0.000 0.522 313 N N 0.647 118.957 118.700 -0.650 0.000 2.739 313 N HA 0.515 5.255 4.740 -0.000 0.000 0.266 313 N C -0.112 175.343 175.510 -0.092 0.000 1.168 313 N CA -0.020 52.822 53.050 -0.346 0.000 1.055 313 N CB -0.769 37.644 38.487 -0.124 0.000 1.393 313 N HN 0.801 nan 8.380 nan 0.000 0.514 314 F N -1.044 118.858 119.950 -0.081 0.000 2.799 314 F HA 0.375 4.902 4.527 -0.000 0.000 0.316 314 F C -0.509 175.313 175.800 0.037 0.000 1.155 314 F CA -1.442 56.578 58.000 0.035 0.000 0.916 314 F CB 0.583 39.671 39.000 0.145 0.000 1.294 314 F HN -0.100 nan 8.300 nan 0.000 0.447 315 K N 1.630 122.275 120.400 0.408 0.000 2.472 315 K HA 0.167 4.487 4.320 -0.000 0.000 0.280 315 K C -1.010 175.835 176.600 0.409 0.000 1.028 315 K CA -0.041 56.402 56.287 0.259 0.000 1.045 315 K CB 0.434 33.038 32.500 0.174 0.000 0.902 315 K HN 0.638 nan 8.250 nan 0.000 0.478 316 K N 2.782 123.289 120.400 0.178 0.000 2.268 316 K HA 0.181 4.501 4.320 -0.000 0.000 0.276 316 K C -0.190 176.522 176.600 0.185 0.000 1.080 316 K CA -0.210 56.180 56.287 0.172 0.000 0.910 316 K CB 1.813 34.320 32.500 0.011 0.000 1.163 316 K HN 0.589 nan 8.250 nan 0.000 0.465 317 T N 1.392 116.141 114.554 0.325 0.000 2.606 317 T HA 0.301 4.651 4.350 -0.000 0.000 0.289 317 T C -1.411 173.491 174.700 0.338 0.000 1.113 317 T CA -0.679 61.572 62.100 0.250 0.000 1.106 317 T CB 0.657 69.641 68.868 0.195 0.000 1.611 317 T HN 0.407 nan 8.240 nan 0.000 0.471 318 Q N 1.214 121.186 119.800 0.287 0.000 2.256 318 Q HA 0.733 5.073 4.340 -0.000 0.000 0.257 318 Q C -0.482 175.817 176.000 0.497 0.000 0.936 318 Q CA -0.444 55.586 55.803 0.378 0.000 0.903 318 Q CB 1.461 30.392 28.738 0.322 0.000 1.263 318 Q HN 0.642 nan 8.270 nan 0.000 0.440 319 I N -0.987 119.815 120.570 0.388 0.000 2.730 319 I HA 0.709 4.879 4.170 -0.000 0.000 0.298 319 I C -1.447 174.588 176.117 -0.137 0.000 1.089 319 I CA -1.405 59.987 61.300 0.154 0.000 1.041 319 I CB 1.870 39.811 38.000 -0.098 0.000 1.235 319 I HN 0.558 nan 8.210 nan 0.000 0.423 320 L N 7.079 127.999 121.223 -0.504 0.000 2.406 320 L HA 0.773 5.113 4.340 -0.000 0.000 0.272 320 L C -1.350 175.334 176.870 -0.310 0.000 0.980 320 L CA -0.513 53.937 54.840 -0.650 0.000 0.831 320 L CB 1.599 42.742 42.059 -1.527 0.000 1.253 320 L HN 0.852 nan 8.230 nan 0.000 0.406 321 L N 2.459 123.623 121.223 -0.099 0.000 2.600 321 L HA 1.119 5.459 4.340 -0.000 0.000 0.257 321 L C -0.738 175.887 176.870 -0.409 0.000 1.048 321 L CA -0.420 54.367 54.840 -0.089 0.000 0.869 321 L CB 1.966 43.972 42.059 -0.089 0.000 1.482 321 L HN 0.668 nan 8.230 nan 0.000 0.408 322 G N -0.135 108.181 108.800 -0.808 0.000 2.428 322 G HA2 0.594 4.554 3.960 -0.000 0.000 0.304 322 G HA3 0.594 4.554 3.960 -0.000 0.000 0.304 322 G C -1.473 173.078 174.900 -0.583 0.000 1.303 322 G CA 0.024 44.350 45.100 -1.290 0.000 0.825 322 G HN 1.447 nan 8.290 nan 0.000 0.484 323 V N -2.754 117.023 119.914 -0.228 0.000 3.182 323 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 323 V C -1.097 175.115 176.094 0.197 0.000 1.240 323 V CA -1.448 60.916 62.300 0.106 0.000 1.063 323 V CB 1.834 33.732 31.823 0.126 0.000 1.076 323 V HN 0.667 nan 8.190 nan 0.000 0.446 324 N N 0.676 119.487 118.700 0.185 0.000 2.466 324 N HA 0.441 5.181 4.740 -0.000 0.000 0.294 324 N C 0.557 176.026 175.510 -0.067 0.000 1.129 324 N CA -0.451 52.678 53.050 0.132 0.000 0.931 324 N CB 1.827 40.482 38.487 0.281 0.000 1.193 324 N HN 0.944 nan 8.380 nan 0.000 0.500 325 K N 0.235 120.475 120.400 -0.266 0.000 2.113 325 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 325 K C -0.625 176.045 176.600 0.116 0.000 1.047 325 K CA 1.381 57.586 56.287 -0.137 0.000 0.928 325 K CB 0.183 32.623 32.500 -0.101 0.000 0.716 325 K HN 0.527 nan 8.250 nan 0.000 0.446 326 D N 1.117 121.586 120.400 0.115 0.000 2.517 326 D HA 0.035 4.675 4.640 -0.000 0.000 0.301 326 D C 0.045 176.448 176.300 0.172 0.000 1.202 326 D CA -0.108 53.978 54.000 0.145 0.000 0.910 326 D CB 1.380 42.244 40.800 0.108 0.000 1.021 326 D HN 0.163 nan 8.370 nan 0.000 0.499 327 E N 0.474 120.792 120.200 0.198 0.000 2.153 327 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 327 E C 1.910 178.667 176.600 0.262 0.000 0.988 327 E CA 0.551 57.095 56.400 0.240 0.000 0.811 327 E CB 0.193 30.012 29.700 0.198 0.000 0.746 327 E HN 0.438 nan 8.360 nan 0.000 0.466 328 G N 0.936 109.871 108.800 0.225 0.000 2.838 328 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.210 328 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.210 328 G C 1.662 176.705 174.900 0.238 0.000 1.153 328 G CA 0.660 45.925 45.100 0.275 0.000 0.778 328 G HN 0.332 nan 8.290 nan 0.000 0.539 329 S N 0.790 116.584 115.700 0.158 0.000 2.370 329 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 329 S C 2.086 176.678 174.600 -0.014 0.000 1.033 329 S CA 1.262 59.507 58.200 0.075 0.000 1.011 329 S CB -0.630 62.534 63.200 -0.060 0.000 0.852 329 S HN 0.303 nan 8.310 nan 0.000 0.457 330 F N 2.014 121.829 119.950 -0.226 0.000 2.126 330 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 330 F C 1.626 177.196 175.800 -0.383 0.000 1.096 330 F CA 1.340 59.082 58.000 -0.429 0.000 1.255 330 F CB -0.438 38.164 39.000 -0.664 0.000 0.997 330 F HN 0.188 nan 8.300 nan 0.000 0.479 331 F N -0.241 119.702 119.950 -0.011 0.000 2.456 331 F HA -0.006 4.520 4.527 -0.000 0.000 0.298 331 F C 1.991 177.714 175.800 -0.129 0.000 1.104 331 F CA 0.571 58.503 58.000 -0.112 0.000 1.435 331 F CB -0.595 38.310 39.000 -0.157 0.000 1.078 331 F HN -0.050 nan 8.300 nan 0.000 0.546 332 L N -0.776 120.410 121.223 -0.062 0.000 2.131 332 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 332 L C 2.412 179.097 176.870 -0.309 0.000 1.087 332 L CA 0.455 55.053 54.840 -0.404 0.000 0.767 332 L CB -0.534 40.931 42.059 -0.989 0.000 0.917 332 L HN 0.161 nan 8.230 nan 0.000 0.441 333 L N -0.941 120.242 121.223 -0.067 0.000 2.042 333 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 333 L C 2.286 179.180 176.870 0.039 0.000 1.076 333 L CA 2.030 56.963 54.840 0.155 0.000 0.749 333 L CB -0.580 41.584 42.059 0.175 0.000 0.893 333 L HN 0.116 nan 8.230 nan 0.000 0.432 334 Y N -0.757 119.433 120.300 -0.183 0.000 2.314 334 Y HA 0.210 4.760 4.550 -0.000 0.000 0.294 334 Y C 2.269 178.100 175.900 -0.114 0.000 1.119 334 Y CA 1.053 59.042 58.100 -0.185 0.000 1.179 334 Y CB -0.312 37.958 38.460 -0.316 0.000 1.025 334 Y HN 0.242 nan 8.280 nan 0.000 0.541 335 G N -1.427 107.414 108.800 0.068 0.000 3.839 335 G HA2 0.518 4.478 3.960 -0.000 0.000 0.286 335 G HA3 0.518 4.478 3.960 -0.000 0.000 0.286 335 G C -0.402 174.532 174.900 0.056 0.000 1.005 335 G CA 0.364 45.486 45.100 0.037 0.000 0.824 335 G HN 0.273 nan 8.290 nan 0.000 0.489 336 A N 1.319 124.200 122.820 0.103 0.000 2.355 336 A HA 0.862 5.182 4.320 -0.000 0.000 0.317 336 A C -2.713 175.049 177.584 0.297 0.000 1.094 336 A CA -1.600 50.554 52.037 0.194 0.000 0.764 336 A CB 1.909 21.035 19.000 0.210 0.000 1.230 336 A HN 0.047 nan 8.150 nan 0.000 0.448 337 P HA 0.302 nan 4.420 nan 0.000 0.271 337 P C 0.872 178.164 177.300 -0.013 0.000 1.216 337 P CA 1.461 64.609 63.100 0.080 0.000 0.771 337 P CB 1.160 32.880 31.700 0.033 0.000 0.864 338 G N 1.691 110.428 108.800 -0.106 0.000 2.234 338 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.235 338 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.235 338 G C -0.189 174.421 174.900 -0.483 0.000 0.997 338 G CA -0.466 44.445 45.100 -0.314 0.000 0.623 338 G HN 0.428 nan 8.290 nan 0.000 0.514 339 F N 1.681 121.556 119.950 -0.124 0.000 2.385 339 F HA 0.735 5.261 4.527 -0.000 0.000 0.336 339 F C 0.748 176.517 175.800 -0.052 0.000 1.100 339 F CA 0.128 58.025 58.000 -0.172 0.000 1.116 339 F CB 2.065 41.025 39.000 -0.067 0.000 1.166 339 F HN 0.177 nan 8.300 nan 0.000 0.511 340 S N 2.035 117.822 115.700 0.145 0.000 2.537 340 S HA 0.252 4.722 4.470 -0.000 0.000 0.270 340 S C 0.313 175.129 174.600 0.361 0.000 1.142 340 S CA -0.879 57.438 58.200 0.195 0.000 0.870 340 S CB 1.654 64.890 63.200 0.059 0.000 1.112 340 S HN 0.766 nan 8.310 nan 0.000 0.466 341 K N 1.343 121.905 120.400 0.270 0.000 2.217 341 K HA 0.042 4.361 4.320 -0.000 0.000 0.202 341 K C -0.172 176.491 176.600 0.105 0.000 1.051 341 K CA 1.349 57.741 56.287 0.175 0.000 0.952 341 K CB -0.009 32.316 32.500 -0.292 0.000 0.736 341 K HN 0.628 nan 8.250 nan 0.000 0.453 342 D N 0.832 121.262 120.400 0.050 0.000 2.894 342 D HA 0.063 4.703 4.640 -0.000 0.000 0.248 342 D C -0.545 175.784 176.300 0.049 0.000 1.291 342 D CA 0.112 54.122 54.000 0.016 0.000 0.840 342 D CB 0.876 41.652 40.800 -0.040 0.000 1.044 342 D HN 0.036 nan 8.370 nan 0.000 0.484 343 S N -0.491 115.274 115.700 0.108 0.000 2.611 343 S HA 0.090 4.559 4.470 -0.000 0.000 0.268 343 S C 0.326 174.950 174.600 0.041 0.000 1.156 343 S CA -0.586 57.639 58.200 0.042 0.000 0.817 343 S CB 1.823 65.002 63.200 -0.033 0.000 1.122 343 S HN -0.019 nan 8.310 nan 0.000 0.466 344 E N 0.943 121.123 120.200 -0.033 0.000 2.347 344 E HA 0.048 4.398 4.350 -0.000 0.000 0.196 344 E C -0.234 176.148 176.600 -0.364 0.000 1.008 344 E CA 0.894 57.256 56.400 -0.063 0.000 0.852 344 E CB -0.121 29.559 29.700 -0.033 0.000 0.783 344 E HN 0.707 nan 8.360 nan 0.000 0.505 345 S N 0.718 116.155 115.700 -0.439 0.000 3.711 345 S HA -0.164 4.306 4.470 -0.000 0.000 0.374 345 S C -0.550 173.717 174.600 -0.554 0.000 0.969 345 S CA 0.628 58.436 58.200 -0.654 0.000 1.198 345 S CB -1.189 61.256 63.200 -1.258 0.000 0.903 345 S HN 0.290 nan 8.310 nan 0.000 0.493 346 K N 1.127 121.320 120.400 -0.344 0.000 2.349 346 K HA 0.264 4.584 4.320 -0.000 0.000 0.288 346 K C 0.356 176.778 176.600 -0.296 0.000 1.058 346 K CA -0.210 55.921 56.287 -0.259 0.000 0.953 346 K CB 0.392 32.794 32.500 -0.162 0.000 0.997 346 K HN 0.231 nan 8.250 nan 0.000 0.477 347 I N 3.165 123.561 120.570 -0.289 0.000 2.342 347 I HA 0.014 4.184 4.170 -0.000 0.000 0.291 347 I C 1.192 177.230 176.117 -0.131 0.000 1.010 347 I CA -0.115 61.030 61.300 -0.259 0.000 1.308 347 I CB 0.742 38.605 38.000 -0.229 0.000 1.400 347 I HN 0.678 nan 8.210 nan 0.000 0.488 348 S N 6.515 122.151 115.700 -0.106 0.000 2.617 348 S HA 0.198 4.667 4.470 -0.000 0.000 0.259 348 S C 1.189 175.782 174.600 -0.012 0.000 1.301 348 S CA -0.289 57.874 58.200 -0.062 0.000 0.984 348 S CB 1.280 64.450 63.200 -0.050 0.000 0.954 348 S HN 0.608 nan 8.310 nan 0.000 0.572 349 R N 0.526 121.021 120.500 -0.009 0.000 2.090 349 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 349 R C 2.301 178.668 176.300 0.111 0.000 1.110 349 R CA 1.940 58.059 56.100 0.031 0.000 0.973 349 R CB -0.911 29.393 30.300 0.008 0.000 0.869 349 R HN 0.918 nan 8.270 nan 0.000 0.440 350 E N -0.102 120.136 120.200 0.064 0.000 2.051 350 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 350 E C 0.871 177.510 176.600 0.065 0.000 0.991 350 E CA 1.609 58.046 56.400 0.061 0.000 0.799 350 E CB -0.033 29.685 29.700 0.029 0.000 0.748 350 E HN 0.318 nan 8.360 nan 0.000 0.449 351 D N -0.226 120.201 120.400 0.045 0.000 2.219 351 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 351 D C 1.566 177.911 176.300 0.076 0.000 0.970 351 D CA 0.486 54.504 54.000 0.030 0.000 0.851 351 D CB -0.291 40.485 40.800 -0.039 0.000 0.943 351 D HN 0.196 nan 8.370 nan 0.000 0.488 352 F N 1.352 121.287 119.950 -0.024 0.000 2.075 352 F HA -0.209 4.317 4.527 -0.000 0.000 0.297 352 F C 2.214 178.026 175.800 0.021 0.000 1.113 352 F CA 1.269 59.269 58.000 -0.000 0.000 1.218 352 F CB -0.156 38.826 39.000 -0.031 0.000 0.984 352 F HN -0.194 nan 8.300 nan 0.000 0.472 353 M N -0.063 119.605 119.600 0.114 0.000 2.073 353 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 353 M C 2.359 178.626 176.300 -0.056 0.000 1.070 353 M CA 1.866 57.181 55.300 0.025 0.000 1.103 353 M CB -1.698 30.964 32.600 0.103 0.000 1.321 353 M HN 0.136 nan 8.290 nan 0.000 0.405 354 S N 0.654 116.345 115.700 -0.016 0.000 2.370 354 S HA -0.112 4.358 4.470 -0.000 0.000 0.226 354 S C 2.064 176.639 174.600 -0.042 0.000 1.033 354 S CA 1.483 59.672 58.200 -0.017 0.000 1.011 354 S CB -0.930 62.276 63.200 0.010 0.000 0.852 354 S HN 0.700 nan 8.310 nan 0.000 0.457 355 G N 1.773 110.535 108.800 -0.063 0.000 2.418 355 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 355 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 355 G C 1.669 176.481 174.900 -0.146 0.000 1.158 355 G CA 1.258 46.318 45.100 -0.066 0.000 0.771 355 G HN 0.560 nan 8.290 nan 0.000 0.545 356 V N -0.150 119.602 119.914 -0.270 0.000 2.343 356 V HA -0.066 4.054 4.120 -0.000 0.000 0.247 356 V C 2.521 178.536 176.094 -0.132 0.000 1.051 356 V CA 2.560 64.718 62.300 -0.236 0.000 1.036 356 V CB -0.664 30.984 31.823 -0.291 0.000 0.654 356 V HN 0.294 nan 8.190 nan 0.000 0.451 357 K N 0.526 120.860 120.400 -0.110 0.000 2.026 357 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 357 K C 1.851 178.405 176.600 -0.076 0.000 1.048 357 K CA 1.994 58.226 56.287 -0.091 0.000 0.929 357 K CB -0.805 31.656 32.500 -0.065 0.000 0.713 357 K HN 0.448 nan 8.250 nan 0.000 0.439 358 L N 0.617 121.811 121.223 -0.048 0.000 2.046 358 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 358 L C 2.214 179.082 176.870 -0.003 0.000 1.077 358 L CA 1.754 56.587 54.840 -0.013 0.000 0.747 358 L CB -0.761 41.301 42.059 0.004 0.000 0.896 358 L HN 0.158 nan 8.230 nan 0.000 0.432 359 S N -1.708 113.976 115.700 -0.027 0.000 2.414 359 S HA 0.033 4.503 4.470 -0.000 0.000 0.227 359 S C 0.929 175.539 174.600 0.016 0.000 1.022 359 S CA 0.515 58.712 58.200 -0.004 0.000 0.958 359 S CB 0.161 63.335 63.200 -0.043 0.000 0.797 359 S HN 0.149 nan 8.310 nan 0.000 0.493 360 V N 3.420 123.297 119.914 -0.061 0.000 2.326 360 V HA 0.206 4.326 4.120 -0.000 0.000 0.254 360 V C -1.671 174.295 176.094 -0.213 0.000 1.022 360 V CA -1.377 60.831 62.300 -0.153 0.000 1.074 360 V CB 0.772 32.447 31.823 -0.248 0.000 1.305 360 V HN 0.206 nan 8.190 nan 0.000 0.506 361 P HA -0.199 nan 4.420 nan 0.000 0.218 361 P C 1.232 178.220 177.300 -0.521 0.000 1.148 361 P CA 1.628 64.589 63.100 -0.231 0.000 0.822 361 P CB 0.066 31.791 31.700 0.042 0.000 0.784 362 H N -0.516 118.393 119.070 -0.267 0.000 2.547 362 H HA 0.365 4.921 4.556 -0.000 0.000 0.272 362 H C 0.739 175.956 175.328 -0.184 0.000 0.989 362 H CA 0.056 55.981 56.048 -0.205 0.000 1.214 362 H CB -0.974 28.800 29.762 0.019 0.000 1.389 362 H HN 0.007 nan 8.280 nan 0.000 0.577 363 A N 2.378 124.874 122.820 -0.539 0.000 2.371 363 A HA 0.236 4.555 4.320 -0.000 0.000 0.257 363 A C 0.385 177.825 177.584 -0.239 0.000 1.089 363 A CA -0.237 51.575 52.037 -0.375 0.000 0.794 363 A CB 0.201 18.979 19.000 -0.371 0.000 1.029 363 A HN 0.687 nan 8.150 nan 0.000 0.488 364 N N 0.305 118.907 118.700 -0.164 0.000 2.447 364 N HA 0.177 4.917 4.740 -0.000 0.000 0.271 364 N C 0.254 175.708 175.510 -0.093 0.000 1.226 364 N CA -0.113 52.869 53.050 -0.114 0.000 0.980 364 N CB 0.201 38.639 38.487 -0.081 0.000 1.206 364 N HN 0.584 nan 8.380 nan 0.000 0.558 365 D N -0.978 119.383 120.400 -0.064 0.000 2.158 365 D HA -0.175 4.464 4.640 -0.000 0.000 0.197 365 D C 1.498 177.783 176.300 -0.024 0.000 0.995 365 D CA 0.964 54.941 54.000 -0.039 0.000 0.846 365 D CB -0.039 40.746 40.800 -0.024 0.000 0.941 365 D HN 0.485 nan 8.370 nan 0.000 0.456 366 L N -0.305 120.899 121.223 -0.030 0.000 2.056 366 L HA 0.138 4.478 4.340 -0.000 0.000 0.207 366 L C 2.260 179.120 176.870 -0.016 0.000 1.078 366 L CA 2.029 56.860 54.840 -0.016 0.000 0.749 366 L CB -0.886 41.156 42.059 -0.028 0.000 0.901 366 L HN 0.136 nan 8.230 nan 0.000 0.433 367 G N -0.703 108.059 108.800 -0.063 0.000 2.422 367 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 367 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 367 G C 1.566 176.449 174.900 -0.028 0.000 1.140 367 G CA 0.939 45.989 45.100 -0.083 0.000 0.775 367 G HN 0.412 nan 8.290 nan 0.000 0.545 368 L N 0.386 121.590 121.223 -0.032 0.000 2.056 368 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 368 L C 2.457 179.363 176.870 0.061 0.000 1.078 368 L CA 1.066 55.902 54.840 -0.006 0.000 0.749 368 L CB -0.343 41.698 42.059 -0.030 0.000 0.901 368 L HN 0.073 nan 8.230 nan 0.000 0.433 369 D N 0.358 120.800 120.400 0.070 0.000 2.144 369 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 369 D C 2.211 178.604 176.300 0.155 0.000 0.984 369 D CA 1.457 55.525 54.000 0.114 0.000 0.834 369 D CB -0.022 40.831 40.800 0.089 0.000 0.955 369 D HN 0.313 nan 8.370 nan 0.000 0.465 370 A N 0.692 123.614 122.820 0.170 0.000 1.877 370 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 370 A C 2.556 180.313 177.584 0.289 0.000 1.186 370 A CA 1.290 53.497 52.037 0.284 0.000 0.620 370 A CB -0.751 18.461 19.000 0.354 0.000 0.822 370 A HN 0.146 nan 8.150 nan 0.000 0.443 371 V N -0.310 119.760 119.914 0.261 0.000 2.295 371 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 371 V C 2.746 178.950 176.094 0.185 0.000 1.049 371 V CA 2.483 64.894 62.300 0.186 0.000 1.024 371 V CB -1.391 30.524 31.823 0.154 0.000 0.648 371 V HN 0.601 nan 8.190 nan 0.000 0.447 372 T N 0.668 115.339 114.554 0.195 0.000 2.635 372 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 372 T C 1.906 176.764 174.700 0.264 0.000 1.040 372 T CA 2.077 64.348 62.100 0.285 0.000 1.156 372 T CB -0.423 68.618 68.868 0.287 0.000 0.863 372 T HN 0.298 nan 8.240 nan 0.000 0.430 373 L N 1.123 122.483 121.223 0.228 0.000 2.083 373 L HA -0.027 4.312 4.340 -0.000 0.000 0.209 373 L C 2.429 179.324 176.870 0.043 0.000 1.083 373 L CA 1.762 56.737 54.840 0.224 0.000 0.752 373 L CB -0.771 41.406 42.059 0.198 0.000 0.899 373 L HN 0.140 nan 8.230 nan 0.000 0.433 374 Q N -1.469 118.268 119.800 -0.105 0.000 2.224 374 Q HA -0.156 4.184 4.340 -0.000 0.000 0.203 374 Q C 0.775 176.508 176.000 -0.446 0.000 0.970 374 Q CA 1.674 57.224 55.803 -0.422 0.000 0.865 374 Q CB -0.111 28.016 28.738 -1.018 0.000 0.922 374 Q HN 0.690 nan 8.270 nan 0.000 0.445 375 Y N -1.289 118.948 120.300 -0.104 0.000 2.660 375 Y HA 0.357 4.907 4.550 -0.000 0.000 0.254 375 Y C -0.383 175.473 175.900 -0.074 0.000 1.176 375 Y CA -0.374 57.717 58.100 -0.016 0.000 1.195 375 Y CB 1.149 39.690 38.460 0.135 0.000 1.190 375 Y HN -0.194 nan 8.280 nan 0.000 0.535 376 T N 0.633 115.126 114.554 -0.102 0.000 2.779 376 T HA 0.107 4.456 4.350 -0.000 0.000 0.280 376 T C -0.961 173.435 174.700 -0.507 0.000 0.987 376 T CA -0.650 61.173 62.100 -0.463 0.000 0.966 376 T CB 1.146 69.537 68.868 -0.794 0.000 0.933 376 T HN -0.012 nan 8.240 nan 0.000 0.442 377 D N 2.077 122.202 120.400 -0.459 0.000 2.441 377 D HA 0.127 4.767 4.640 -0.000 0.000 0.221 377 D C 0.127 176.234 176.300 -0.323 0.000 1.156 377 D CA -0.739 53.094 54.000 -0.278 0.000 0.896 377 D CB 0.344 41.036 40.800 -0.180 0.000 1.028 377 D HN 0.619 nan 8.370 nan 0.000 0.509 378 W N 2.912 124.178 121.300 -0.058 0.000 2.721 378 W HA 0.005 4.665 4.660 -0.000 0.000 0.245 378 W C 1.970 178.463 176.519 -0.044 0.000 1.276 378 W CA -0.056 57.258 57.345 -0.051 0.000 1.342 378 W CB -0.023 29.413 29.460 -0.040 0.000 1.135 378 W HN 0.395 nan 8.180 nan 0.000 0.654 379 M N -0.596 119.073 119.600 0.115 0.000 2.595 379 M HA 0.004 4.484 4.480 -0.000 0.000 0.248 379 M C -0.079 176.238 176.300 0.028 0.000 1.119 379 M CA 1.164 56.507 55.300 0.072 0.000 1.079 379 M CB 0.171 32.792 32.600 0.036 0.000 1.472 379 M HN -0.210 nan 8.290 nan 0.000 0.501 380 D N -0.036 120.354 120.400 -0.017 0.000 3.595 380 D HA -0.020 4.620 4.640 -0.000 0.000 0.253 380 D C 0.115 176.329 176.300 -0.143 0.000 1.395 380 D CA -0.001 53.965 54.000 -0.056 0.000 0.820 380 D CB 0.279 41.045 40.800 -0.056 0.000 1.431 380 D HN 0.204 nan 8.370 nan 0.000 0.690 381 D N -0.474 119.829 120.400 -0.161 0.000 2.312 381 D HA -0.100 4.540 4.640 -0.000 0.000 0.211 381 D C 0.458 176.608 176.300 -0.249 0.000 0.964 381 D CA 0.161 53.964 54.000 -0.330 0.000 0.877 381 D CB 0.200 40.766 40.800 -0.390 0.000 0.924 381 D HN 0.207 nan 8.370 nan 0.000 0.515 382 N N 0.862 119.481 118.700 -0.134 0.000 2.251 382 N HA -0.035 4.705 4.740 -0.000 0.000 0.217 382 N C -0.035 175.411 175.510 -0.107 0.000 1.124 382 N CA -0.147 52.840 53.050 -0.106 0.000 0.843 382 N CB 0.104 38.559 38.487 -0.052 0.000 1.024 382 N HN 0.167 nan 8.380 nan 0.000 0.501 383 N N 1.108 119.730 118.700 -0.130 0.000 2.399 383 N HA 0.041 4.781 4.740 -0.000 0.000 0.259 383 N C 1.298 176.738 175.510 -0.117 0.000 1.160 383 N CA -0.016 52.971 53.050 -0.106 0.000 0.946 383 N CB 0.895 39.323 38.487 -0.099 0.000 1.156 383 N HN 0.144 nan 8.380 nan 0.000 0.489 384 G N 4.365 113.105 108.800 -0.100 0.000 2.469 384 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 384 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 384 G C 1.546 176.389 174.900 -0.096 0.000 1.150 384 G CA 0.617 45.651 45.100 -0.109 0.000 0.763 384 G HN 0.695 nan 8.290 nan 0.000 0.561 385 I N 0.130 120.661 120.570 -0.065 0.000 2.252 385 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 385 I C 2.809 178.922 176.117 -0.005 0.000 1.102 385 I CA 1.215 62.499 61.300 -0.026 0.000 1.385 385 I CB -0.157 37.841 38.000 -0.003 0.000 1.064 385 I HN 0.135 nan 8.210 nan 0.000 0.414 386 K N 0.530 120.907 120.400 -0.039 0.000 2.148 386 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 386 K C 1.797 178.365 176.600 -0.054 0.000 1.050 386 K CA 1.064 57.326 56.287 -0.042 0.000 0.942 386 K CB -0.164 32.278 32.500 -0.096 0.000 0.724 386 K HN 0.318 nan 8.250 nan 0.000 0.446 387 N N 0.888 119.519 118.700 -0.115 0.000 2.244 387 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 387 N C 1.724 177.344 175.510 0.183 0.000 1.016 387 N CA 0.865 53.850 53.050 -0.109 0.000 0.866 387 N CB -0.083 38.298 38.487 -0.176 0.000 0.980 387 N HN 0.236 nan 8.380 nan 0.000 0.430 388 R N 1.199 121.759 120.500 0.099 0.000 2.055 388 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 388 R C 0.906 177.383 176.300 0.295 0.000 1.143 388 R CA 1.417 57.623 56.100 0.176 0.000 0.945 388 R CB -0.069 30.244 30.300 0.022 0.000 0.841 388 R HN 0.007 nan 8.270 nan 0.000 0.429 389 D N -0.254 120.281 120.400 0.225 0.000 2.182 389 D HA -0.112 4.527 4.640 -0.000 0.000 0.201 389 D C 1.689 178.138 176.300 0.248 0.000 0.986 389 D CA 1.434 55.577 54.000 0.239 0.000 0.847 389 D CB -0.470 40.439 40.800 0.183 0.000 0.942 389 D HN 0.552 nan 8.370 nan 0.000 0.467 390 G N 0.697 109.652 108.800 0.257 0.000 2.421 390 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 390 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 390 G C 1.591 176.655 174.900 0.274 0.000 1.171 390 G CA 0.230 45.526 45.100 0.327 0.000 0.775 390 G HN 0.185 nan 8.290 nan 0.000 0.543 391 L N 1.037 122.452 121.223 0.320 0.000 2.083 391 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 391 L C 2.332 179.261 176.870 0.098 0.000 1.083 391 L CA 2.075 57.003 54.840 0.146 0.000 0.752 391 L CB -0.578 41.636 42.059 0.260 0.000 0.899 391 L HN 0.326 nan 8.230 nan 0.000 0.433 392 D N -0.964 119.550 120.400 0.190 0.000 2.097 392 D HA -0.218 4.422 4.640 -0.000 0.000 0.195 392 D C 1.713 178.092 176.300 0.132 0.000 0.989 392 D CA 1.480 55.585 54.000 0.174 0.000 0.827 392 D CB 0.035 40.989 40.800 0.256 0.000 0.966 392 D HN 0.295 nan 8.370 nan 0.000 0.456 393 D N -0.200 120.293 120.400 0.154 0.000 2.117 393 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 393 D C 2.338 178.661 176.300 0.037 0.000 0.987 393 D CA 0.538 54.646 54.000 0.181 0.000 0.829 393 D CB -0.162 40.848 40.800 0.349 0.000 0.961 393 D HN 0.382 nan 8.370 nan 0.000 0.460 394 I N 0.685 121.119 120.570 -0.226 0.000 2.127 394 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 394 I C 2.508 178.510 176.117 -0.193 0.000 1.075 394 I CA 0.813 61.895 61.300 -0.364 0.000 1.334 394 I CB -0.273 37.483 38.000 -0.407 0.000 1.040 394 I HN -0.109 nan 8.210 nan 0.000 0.405 395 V N 0.991 120.836 119.914 -0.114 0.000 2.343 395 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 395 V C 2.519 178.526 176.094 -0.145 0.000 1.051 395 V CA 2.243 64.488 62.300 -0.092 0.000 1.036 395 V CB -1.344 30.490 31.823 0.019 0.000 0.654 395 V HN 0.601 nan 8.190 nan 0.000 0.451 396 G N -0.646 108.123 108.800 -0.050 0.000 2.394 396 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 396 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 396 G C 1.238 176.073 174.900 -0.108 0.000 1.165 396 G CA 0.842 45.922 45.100 -0.032 0.000 0.784 396 G HN 0.494 nan 8.290 nan 0.000 0.535 397 D N -0.112 120.226 120.400 -0.104 0.000 2.097 397 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 397 D C 2.095 178.075 176.300 -0.533 0.000 0.984 397 D CA 1.234 55.139 54.000 -0.159 0.000 0.826 397 D CB -0.445 40.415 40.800 0.101 0.000 0.973 397 D HN 0.377 nan 8.370 nan 0.000 0.460 398 H N 1.108 119.549 119.070 -1.049 0.000 2.321 398 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 398 H C 1.549 176.495 175.328 -0.637 0.000 1.087 398 H CA 1.721 57.026 56.048 -1.238 0.000 1.319 398 H CB 0.009 28.935 29.762 -1.394 0.000 1.379 398 H HN 0.011 nan 8.280 nan 0.000 0.501 399 N N -0.723 117.546 118.700 -0.718 0.000 2.368 399 N HA -0.025 4.715 4.740 -0.000 0.000 0.176 399 N C 1.343 176.606 175.510 -0.413 0.000 1.021 399 N CA 1.222 53.804 53.050 -0.780 0.000 0.888 399 N CB 0.868 38.446 38.487 -1.515 0.000 0.995 399 N HN 0.273 nan 8.380 nan 0.000 0.437 400 V N 0.592 120.325 119.914 -0.301 0.000 3.278 400 V HA 0.146 4.266 4.120 -0.000 0.000 0.215 400 V C 2.122 178.192 176.094 -0.041 0.000 1.287 400 V CA -0.063 62.188 62.300 -0.081 0.000 1.302 400 V CB -0.012 31.821 31.823 0.017 0.000 1.228 400 V HN -0.056 nan 8.190 nan 0.000 0.523 401 I N 0.621 121.181 120.570 -0.017 0.000 2.127 401 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 401 I C 2.570 178.700 176.117 0.023 0.000 1.075 401 I CA 2.020 63.339 61.300 0.032 0.000 1.334 401 I CB -0.458 37.596 38.000 0.089 0.000 1.040 401 I HN 0.394 nan 8.210 nan 0.000 0.405 402 c N 0.545 119.149 118.600 0.007 0.000 2.440 402 c HA -0.030 4.540 4.570 -0.000 0.000 0.278 402 c C 0.228 174.354 174.090 0.061 0.000 1.295 402 c CA 0.665 57.038 56.329 0.074 0.000 1.738 402 c CB -1.761 40.835 42.510 0.143 0.000 1.987 402 c HN 0.362 nan 8.230 nan 0.000 0.492 403 P HA -0.083 nan 4.420 nan 0.000 0.218 403 P C 1.695 179.031 177.300 0.060 0.000 1.149 403 P CA 1.026 64.109 63.100 -0.028 0.000 0.817 403 P CB -0.169 31.425 31.700 -0.177 0.000 0.785 404 L N -1.937 119.303 121.223 0.028 0.000 2.141 404 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 404 L C 2.021 178.946 176.870 0.092 0.000 1.094 404 L CA 1.486 56.361 54.840 0.058 0.000 0.763 404 L CB -0.445 41.617 42.059 0.006 0.000 0.908 404 L HN -0.100 nan 8.230 nan 0.000 0.437 405 M N -1.075 118.566 119.600 0.070 0.000 2.132 405 M HA -0.196 4.283 4.480 -0.000 0.000 0.263 405 M C 2.239 178.602 176.300 0.104 0.000 1.065 405 M CA 1.579 56.909 55.300 0.050 0.000 1.122 405 M CB -1.576 31.071 32.600 0.078 0.000 1.365 405 M HN 0.382 nan 8.290 nan 0.000 0.411 406 H N 0.005 119.118 119.070 0.071 0.000 2.290 406 H HA -0.218 4.338 4.556 -0.000 0.000 0.298 406 H C 1.851 177.228 175.328 0.082 0.000 1.087 406 H CA 2.390 58.487 56.048 0.082 0.000 1.291 406 H CB -0.438 29.372 29.762 0.080 0.000 1.369 406 H HN 0.243 nan 8.280 nan 0.000 0.492 407 F N 0.051 119.995 119.950 -0.011 0.000 2.095 407 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 407 F C 2.581 178.324 175.800 -0.094 0.000 1.104 407 F CA 1.571 59.520 58.000 -0.086 0.000 1.232 407 F CB -1.006 37.941 39.000 -0.090 0.000 0.987 407 F HN 0.140 nan 8.300 nan 0.000 0.475 408 V N 1.053 120.843 119.914 -0.207 0.000 2.407 408 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 408 V C 2.170 178.125 176.094 -0.231 0.000 1.055 408 V CA 2.480 64.568 62.300 -0.353 0.000 1.049 408 V CB -0.631 30.923 31.823 -0.448 0.000 0.662 408 V HN 0.443 nan 8.190 nan 0.000 0.455 409 N N -0.234 118.403 118.700 -0.105 0.000 2.216 409 N HA -0.083 4.656 4.740 -0.000 0.000 0.183 409 N C 1.809 177.298 175.510 -0.036 0.000 1.017 409 N CA 1.009 54.088 53.050 0.048 0.000 0.861 409 N CB -0.166 38.366 38.487 0.075 0.000 0.986 409 N HN 0.420 nan 8.380 nan 0.000 0.428 410 K N 0.543 120.846 120.400 -0.162 0.000 2.062 410 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 410 K C 1.945 178.527 176.600 -0.030 0.000 1.051 410 K CA 0.622 56.841 56.287 -0.112 0.000 0.941 410 K CB -0.746 31.635 32.500 -0.199 0.000 0.719 410 K HN 0.255 nan 8.250 nan 0.000 0.440 411 Y N 2.459 122.530 120.300 -0.382 0.000 2.114 411 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 411 Y C 2.197 178.094 175.900 -0.005 0.000 1.143 411 Y CA 2.016 59.889 58.100 -0.380 0.000 1.135 411 Y CB -0.540 37.387 38.460 -0.888 0.000 0.980 411 Y HN 0.030 nan 8.280 nan 0.000 0.499 412 T N 1.059 115.638 114.554 0.041 0.000 2.869 412 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 412 T C 1.634 176.317 174.700 -0.028 0.000 1.082 412 T CA 1.314 63.459 62.100 0.075 0.000 1.123 412 T CB -0.149 68.862 68.868 0.240 0.000 0.856 412 T HN 0.223 nan 8.240 nan 0.000 0.499 413 K N 0.146 120.499 120.400 -0.079 0.000 2.365 413 K HA 0.089 4.409 4.320 -0.000 0.000 0.199 413 K C 1.047 177.333 176.600 -0.524 0.000 1.045 413 K CA 0.915 57.027 56.287 -0.292 0.000 0.962 413 K CB -0.124 32.155 32.500 -0.369 0.000 0.759 413 K HN 0.459 nan 8.250 nan 0.000 0.469 414 F N -0.515 119.375 119.950 -0.100 0.000 2.819 414 F HA 0.238 4.765 4.527 -0.000 0.000 0.325 414 F C 1.549 177.228 175.800 -0.201 0.000 1.041 414 F CA -0.390 57.516 58.000 -0.156 0.000 1.184 414 F CB -0.231 38.629 39.000 -0.233 0.000 1.019 414 F HN -0.123 nan 8.300 nan 0.000 0.590 415 G N 0.111 108.817 108.800 -0.157 0.000 2.712 415 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.258 415 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.258 415 G C 0.409 175.325 174.900 0.026 0.000 1.241 415 G CA -0.202 44.795 45.100 -0.171 0.000 0.923 415 G HN 0.295 nan 8.290 nan 0.000 0.548 416 N N -0.340 118.430 118.700 0.117 0.000 2.338 416 N HA 0.274 5.014 4.740 -0.000 0.000 0.251 416 N C 0.216 175.798 175.510 0.120 0.000 1.199 416 N CA 0.440 53.548 53.050 0.096 0.000 0.879 416 N CB 0.362 38.901 38.487 0.086 0.000 1.159 416 N HN 0.915 nan 8.380 nan 0.000 0.514 417 G N 0.984 109.868 108.800 0.141 0.000 2.141 417 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.177 417 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.177 417 G C -1.142 173.817 174.900 0.098 0.000 1.510 417 G CA -0.730 44.428 45.100 0.096 0.000 1.082 417 G HN 0.046 nan 8.290 nan 0.000 0.622 418 T N 1.950 116.468 114.554 -0.059 0.000 2.823 418 T HA 0.679 5.028 4.350 -0.000 0.000 0.279 418 T C -1.006 173.503 174.700 -0.318 0.000 0.998 418 T CA -0.199 61.875 62.100 -0.044 0.000 0.994 418 T CB 1.176 70.098 68.868 0.091 0.000 0.960 418 T HN 0.374 nan 8.240 nan 0.000 0.448 419 Y N 2.148 122.405 120.300 -0.072 0.000 2.326 419 Y HA 0.595 5.145 4.550 -0.000 0.000 0.329 419 Y C -0.446 175.545 175.900 0.151 0.000 0.973 419 Y CA -1.135 56.910 58.100 -0.092 0.000 1.162 419 Y CB 1.369 39.344 38.460 -0.809 0.000 1.147 419 Y HN 0.416 nan 8.280 nan 0.000 0.456 420 L N 5.894 127.463 121.223 0.577 0.000 2.317 420 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 420 L C -1.167 176.122 176.870 0.697 0.000 1.024 420 L CA -1.030 54.064 54.840 0.423 0.000 0.810 420 L CB 0.653 42.808 42.059 0.159 0.000 1.240 420 L HN 0.522 nan 8.230 nan 0.000 0.427 421 Y N 3.188 123.789 120.300 0.501 0.000 2.576 421 Y HA 0.720 5.270 4.550 -0.000 0.000 0.346 421 Y C -1.816 174.353 175.900 0.447 0.000 1.018 421 Y CA -2.167 56.176 58.100 0.405 0.000 1.050 421 Y CB 1.283 39.961 38.460 0.362 0.000 1.280 421 Y HN 0.519 nan 8.280 nan 0.000 0.474 422 F N 4.562 124.852 119.950 0.567 0.000 2.610 422 F HA 0.463 4.989 4.527 -0.000 0.000 0.355 422 F C -1.880 174.222 175.800 0.503 0.000 1.140 422 F CA -1.881 56.382 58.000 0.438 0.000 1.037 422 F CB 0.651 39.901 39.000 0.417 0.000 1.287 422 F HN 0.561 nan 8.300 nan 0.000 0.457 423 F N 7.719 127.736 119.950 0.111 0.000 2.421 423 F HA 0.299 4.826 4.527 -0.000 0.000 0.358 423 F C 0.247 175.898 175.800 -0.249 0.000 1.115 423 F CA -0.295 57.710 58.000 0.008 0.000 1.160 423 F CB 0.517 39.586 39.000 0.115 0.000 1.123 423 F HN 0.529 nan 8.300 nan 0.000 0.508 424 N N 3.485 121.794 118.700 -0.652 0.000 2.571 424 N HA 0.085 4.825 4.740 -0.000 0.000 0.298 424 N C -1.290 173.967 175.510 -0.421 0.000 1.671 424 N CA -0.507 52.272 53.050 -0.452 0.000 0.900 424 N CB -0.596 37.791 38.487 -0.167 0.000 1.365 424 N HN 0.616 nan 8.380 nan 0.000 0.493 425 H N 0.475 118.989 119.070 -0.926 0.000 2.476 425 H HA 0.530 5.086 4.556 -0.000 0.000 0.328 425 H C -0.502 174.677 175.328 -0.247 0.000 1.073 425 H CA -0.681 55.023 56.048 -0.573 0.000 1.229 425 H CB 1.114 30.447 29.762 -0.715 0.000 1.432 425 H HN 0.145 nan 8.280 nan 0.000 0.477 426 R N 4.281 124.386 120.500 -0.660 0.000 2.205 426 R HA 0.517 4.857 4.340 -0.000 0.000 0.342 426 R C -0.728 175.283 176.300 -0.482 0.000 1.058 426 R CA -0.307 55.571 56.100 -0.371 0.000 0.904 426 R CB 0.014 30.190 30.300 -0.207 0.000 1.089 426 R HN 0.739 nan 8.270 nan 0.000 0.471 427 A N 3.356 126.140 122.820 -0.061 0.000 2.565 427 A HA 0.055 4.375 4.320 -0.000 0.000 0.237 427 A C 1.197 178.821 177.584 0.066 0.000 1.053 427 A CA 0.556 52.724 52.037 0.218 0.000 0.755 427 A CB 0.071 19.354 19.000 0.471 0.000 0.980 427 A HN 1.053 nan 8.150 nan 0.000 0.506 428 S N 1.275 117.038 115.700 0.105 0.000 2.474 428 S HA -0.150 4.319 4.470 -0.000 0.000 0.235 428 S C 0.768 175.346 174.600 -0.036 0.000 0.997 428 S CA 1.057 59.275 58.200 0.030 0.000 0.949 428 S CB -0.436 62.804 63.200 0.066 0.000 0.766 428 S HN 0.952 nan 8.310 nan 0.000 0.517 429 N N 0.410 119.052 118.700 -0.096 0.000 2.328 429 N HA 0.292 5.032 4.740 -0.000 0.000 0.247 429 N C -0.556 174.892 175.510 -0.103 0.000 1.165 429 N CA -0.566 52.393 53.050 -0.153 0.000 0.873 429 N CB -0.393 37.904 38.487 -0.317 0.000 1.125 429 N HN 0.283 nan 8.380 nan 0.000 0.513 430 L N 1.314 122.518 121.223 -0.031 0.000 2.455 430 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 430 L C 1.292 178.147 176.870 -0.027 0.000 1.174 430 L CA -0.012 54.832 54.840 0.006 0.000 0.869 430 L CB 1.158 43.229 42.059 0.020 0.000 1.130 430 L HN 0.244 nan 8.230 nan 0.000 0.474 431 V N 0.844 120.714 119.914 -0.075 0.000 3.541 431 V HA 0.122 4.242 4.120 -0.000 0.000 0.267 431 V C 0.498 176.555 176.094 -0.062 0.000 1.213 431 V CA -0.378 61.839 62.300 -0.138 0.000 1.149 431 V CB -1.255 30.351 31.823 -0.363 0.000 0.822 431 V HN 0.636 nan 8.190 nan 0.000 0.462 432 W N 1.776 123.084 121.300 0.013 0.000 2.303 432 W HA 0.541 5.201 4.660 -0.000 0.000 0.334 432 W C -1.787 174.656 176.519 -0.128 0.000 1.197 432 W CA -2.285 55.046 57.345 -0.023 0.000 1.262 432 W CB 0.083 29.457 29.460 -0.143 0.000 1.153 432 W HN -0.038 nan 8.180 nan 0.000 0.596 433 P HA -0.100 nan 4.420 nan 0.000 0.268 433 P C 0.274 177.493 177.300 -0.136 0.000 1.208 433 P CA 0.329 63.413 63.100 -0.028 0.000 0.777 433 P CB 1.126 32.836 31.700 0.016 0.000 0.875 434 E N 2.698 122.894 120.200 -0.008 0.000 2.160 434 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 434 E C 1.706 178.327 176.600 0.035 0.000 0.991 434 E CA 1.566 57.976 56.400 0.017 0.000 0.810 434 E CB -0.636 29.110 29.700 0.077 0.000 0.742 434 E HN 0.644 nan 8.360 nan 0.000 0.466 435 W N -0.337 121.013 121.300 0.083 0.000 2.421 435 W HA -0.103 4.557 4.660 -0.000 0.000 0.270 435 W C 1.216 177.799 176.519 0.107 0.000 1.233 435 W CA 0.482 57.884 57.345 0.095 0.000 1.226 435 W CB -0.741 28.784 29.460 0.108 0.000 1.121 435 W HN 0.081 nan 8.180 nan 0.000 0.579 436 M N 1.295 120.464 119.600 -0.718 0.000 2.492 436 M HA 0.127 4.607 4.480 -0.000 0.000 0.262 436 M C 1.741 177.902 176.300 -0.231 0.000 1.090 436 M CA 1.560 56.434 55.300 -0.710 0.000 1.110 436 M CB -0.701 31.340 32.600 -0.932 0.000 1.407 436 M HN 0.149 nan 8.290 nan 0.000 0.470 437 G N 0.538 109.265 108.800 -0.122 0.000 2.574 437 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.286 437 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.286 437 G C -0.208 174.665 174.900 -0.044 0.000 1.212 437 G CA -0.275 44.803 45.100 -0.036 0.000 0.979 437 G HN 0.203 nan 8.290 nan 0.000 0.557 438 V N 2.036 121.954 119.914 0.007 0.000 2.313 438 V HA 0.356 4.476 4.120 -0.000 0.000 0.252 438 V C 1.181 177.338 176.094 0.105 0.000 1.112 438 V CA -0.007 62.330 62.300 0.061 0.000 0.984 438 V CB -0.153 31.699 31.823 0.048 0.000 1.157 438 V HN 0.534 nan 8.190 nan 0.000 0.493 439 I N 3.124 123.728 120.570 0.057 0.000 2.754 439 I HA 0.060 4.230 4.170 -0.000 0.000 0.285 439 I C 0.954 177.213 176.117 0.237 0.000 1.166 439 I CA -0.332 61.003 61.300 0.057 0.000 1.417 439 I CB 0.106 37.977 38.000 -0.214 0.000 1.382 439 I HN 0.585 nan 8.210 nan 0.000 0.588 440 H N 4.703 123.815 119.070 0.070 0.000 3.145 440 H HA 0.193 4.748 4.556 -0.000 0.000 0.288 440 H C 0.925 176.227 175.328 -0.042 0.000 0.969 440 H CA 0.875 56.948 56.048 0.041 0.000 1.444 440 H CB -0.017 29.757 29.762 0.021 0.000 1.500 440 H HN 0.762 nan 8.280 nan 0.000 0.552 441 G N 3.815 112.446 108.800 -0.282 0.000 2.213 441 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.236 441 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.236 441 G C 0.596 175.441 174.900 -0.092 0.000 0.991 441 G CA 0.287 45.188 45.100 -0.332 0.000 0.629 441 G HN 0.606 nan 8.290 nan 0.000 0.517 442 Y N 1.796 122.149 120.300 0.088 0.000 2.477 442 Y HA 0.210 4.760 4.550 -0.000 0.000 0.303 442 Y C 2.353 178.357 175.900 0.175 0.000 1.202 442 Y CA 1.062 59.298 58.100 0.227 0.000 1.282 442 Y CB 0.337 38.967 38.460 0.284 0.000 1.071 442 Y HN 0.542 nan 8.280 nan 0.000 0.510 443 E N -0.137 120.033 120.200 -0.050 0.000 2.400 443 E HA -0.047 4.302 4.350 -0.000 0.000 0.195 443 E C 1.629 178.149 176.600 -0.134 0.000 1.012 443 E CA 0.570 56.662 56.400 -0.514 0.000 0.875 443 E CB -0.441 28.603 29.700 -1.093 0.000 0.859 443 E HN 0.519 nan 8.360 nan 0.000 0.498 444 I N 2.621 123.203 120.570 0.020 0.000 2.208 444 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 444 I C 2.589 178.757 176.117 0.085 0.000 1.097 444 I CA 1.989 63.353 61.300 0.107 0.000 1.363 444 I CB -0.447 37.666 38.000 0.188 0.000 1.051 444 I HN 0.203 nan 8.210 nan 0.000 0.413 445 E N 0.911 121.123 120.200 0.020 0.000 2.204 445 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 445 E C 1.987 178.434 176.600 -0.256 0.000 0.990 445 E CA 1.423 57.749 56.400 -0.123 0.000 0.821 445 E CB -0.484 29.138 29.700 -0.131 0.000 0.750 445 E HN 0.430 nan 8.360 nan 0.000 0.477 446 F N 1.151 121.003 119.950 -0.162 0.000 2.293 446 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 446 F C 2.333 177.958 175.800 -0.290 0.000 1.089 446 F CA 0.505 58.371 58.000 -0.223 0.000 1.377 446 F CB -0.098 38.809 39.000 -0.156 0.000 1.051 446 F HN -0.139 nan 8.300 nan 0.000 0.511 447 V N -1.084 118.742 119.914 -0.147 0.000 2.427 447 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 447 V C 1.585 177.475 176.094 -0.339 0.000 1.051 447 V CA 1.567 63.642 62.300 -0.375 0.000 1.048 447 V CB -0.636 30.987 31.823 -0.334 0.000 0.666 447 V HN 0.199 nan 8.190 nan 0.000 0.456 448 F N 0.434 120.240 119.950 -0.240 0.000 2.732 448 F HA 0.428 4.955 4.527 -0.000 0.000 0.303 448 F C 1.793 177.475 175.800 -0.198 0.000 1.110 448 F CA 0.563 58.443 58.000 -0.200 0.000 1.355 448 F CB -0.213 38.652 39.000 -0.225 0.000 1.081 448 F HN 0.251 nan 8.300 nan 0.000 0.565 449 G N 0.209 108.910 108.800 -0.165 0.000 2.160 449 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 449 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 449 G C 1.194 175.780 174.900 -0.523 0.000 1.008 449 G CA 0.375 45.307 45.100 -0.279 0.000 0.724 449 G HN 0.277 nan 8.290 nan 0.000 0.514 450 L N -0.131 120.753 121.223 -0.565 0.000 2.081 450 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 450 L C 0.297 176.675 176.870 -0.820 0.000 1.080 450 L CA 2.664 57.098 54.840 -0.678 0.000 0.754 450 L CB -1.881 39.878 42.059 -0.500 0.000 0.893 450 L HN 0.220 nan 8.230 nan 0.000 0.433 451 P HA -0.109 nan 4.420 nan 0.000 0.228 451 P C 1.646 178.665 177.300 -0.468 0.000 1.151 451 P CA 0.699 63.154 63.100 -1.074 0.000 0.770 451 P CB 0.083 31.135 31.700 -1.079 0.000 0.786 452 L N -1.611 119.351 121.223 -0.434 0.000 2.552 452 L HA -0.002 4.338 4.340 -0.000 0.000 0.227 452 L C 1.061 177.794 176.870 -0.227 0.000 1.146 452 L CA 0.749 55.429 54.840 -0.267 0.000 0.858 452 L CB -0.662 41.270 42.059 -0.212 0.000 0.969 452 L HN -0.098 nan 8.230 nan 0.000 0.451 453 V N -0.879 118.858 119.914 -0.296 0.000 2.350 453 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 453 V C 1.459 177.503 176.094 -0.084 0.000 1.028 453 V CA -0.650 61.540 62.300 -0.183 0.000 0.860 453 V CB 1.126 32.808 31.823 -0.235 0.000 0.990 453 V HN 0.122 nan 8.190 nan 0.000 0.453 454 K N 4.274 124.645 120.400 -0.048 0.000 2.015 454 K HA -0.177 4.143 4.320 -0.000 0.000 0.216 454 K C 1.942 178.534 176.600 -0.014 0.000 1.052 454 K CA 2.316 58.591 56.287 -0.020 0.000 0.937 454 K CB -0.273 32.216 32.500 -0.018 0.000 0.719 454 K HN 1.012 nan 8.250 nan 0.000 0.446 455 E N 1.198 121.384 120.200 -0.023 0.000 2.455 455 E HA -0.179 4.171 4.350 -0.000 0.000 0.202 455 E C 1.786 178.367 176.600 -0.032 0.000 1.045 455 E CA 0.796 57.179 56.400 -0.028 0.000 0.872 455 E CB -0.447 29.235 29.700 -0.030 0.000 0.792 455 E HN 0.358 nan 8.360 nan 0.000 0.542 456 L N 0.324 121.539 121.223 -0.012 0.000 2.492 456 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 456 L C 0.104 176.938 176.870 -0.059 0.000 1.132 456 L CA 0.309 55.150 54.840 0.001 0.000 0.850 456 L CB -0.804 41.326 42.059 0.119 0.000 0.966 456 L HN 0.134 nan 8.230 nan 0.000 0.454 457 N N -1.028 117.658 118.700 -0.025 0.000 2.756 457 N HA -0.229 4.511 4.740 -0.000 0.000 0.248 457 N C -0.765 174.682 175.510 -0.105 0.000 1.062 457 N CA 0.101 53.113 53.050 -0.063 0.000 0.696 457 N CB -1.044 37.381 38.487 -0.103 0.000 0.946 457 N HN 0.242 nan 8.380 nan 0.000 0.548 458 Y N 0.473 120.739 120.300 -0.057 0.000 2.354 458 Y HA 0.276 4.826 4.550 -0.000 0.000 0.322 458 Y C 1.603 177.503 175.900 0.001 0.000 1.253 458 Y CA -0.276 57.807 58.100 -0.028 0.000 1.272 458 Y CB 0.799 39.205 38.460 -0.089 0.000 1.255 458 Y HN 0.042 nan 8.280 nan 0.000 0.500 459 T N -1.628 113.048 114.554 0.203 0.000 2.828 459 T HA 0.362 4.712 4.350 -0.000 0.000 0.290 459 T C 1.235 176.004 174.700 0.115 0.000 1.019 459 T CA -0.252 61.927 62.100 0.131 0.000 1.031 459 T CB 1.144 70.092 68.868 0.133 0.000 1.001 459 T HN 0.779 nan 8.240 nan 0.000 0.531 460 A N 1.286 124.149 122.820 0.071 0.000 1.940 460 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 460 A C 2.318 179.929 177.584 0.046 0.000 1.176 460 A CA 1.441 53.506 52.037 0.045 0.000 0.631 460 A CB -0.759 18.258 19.000 0.030 0.000 0.814 460 A HN 0.945 nan 8.150 nan 0.000 0.446 461 E N 0.611 120.846 120.200 0.057 0.000 2.204 461 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 461 E C 1.436 178.066 176.600 0.050 0.000 0.989 461 E CA 1.323 57.746 56.400 0.039 0.000 0.824 461 E CB -0.579 29.143 29.700 0.036 0.000 0.756 461 E HN 0.808 nan 8.360 nan 0.000 0.477 462 E N 0.901 121.182 120.200 0.135 0.000 2.216 462 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 462 E C 2.036 178.733 176.600 0.163 0.000 0.988 462 E CA 0.547 57.113 56.400 0.276 0.000 0.834 462 E CB 0.051 30.052 29.700 0.502 0.000 0.772 462 E HN 0.364 nan 8.360 nan 0.000 0.479 463 E N 0.773 120.999 120.200 0.043 0.000 2.072 463 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 463 E C 2.026 178.609 176.600 -0.028 0.000 0.982 463 E CA 0.840 57.211 56.400 -0.049 0.000 0.803 463 E CB 0.009 29.682 29.700 -0.045 0.000 0.755 463 E HN 0.196 nan 8.360 nan 0.000 0.453 464 A N 1.086 123.902 122.820 -0.007 0.000 1.930 464 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 464 A C 2.097 179.667 177.584 -0.024 0.000 1.175 464 A CA 1.070 53.093 52.037 -0.024 0.000 0.627 464 A CB -0.528 18.459 19.000 -0.020 0.000 0.815 464 A HN 0.366 nan 8.150 nan 0.000 0.443 465 L N -0.273 120.956 121.223 0.010 0.000 2.027 465 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 465 L C 2.560 179.470 176.870 0.066 0.000 1.074 465 L CA 2.592 57.438 54.840 0.009 0.000 0.745 465 L CB -0.857 41.174 42.059 -0.046 0.000 0.898 465 L HN 0.329 nan 8.230 nan 0.000 0.433 466 S N -0.601 115.193 115.700 0.158 0.000 2.359 466 S HA -0.230 4.239 4.470 -0.000 0.000 0.224 466 S C 2.206 176.774 174.600 -0.053 0.000 1.035 466 S CA 1.486 59.731 58.200 0.076 0.000 1.018 466 S CB -0.264 62.866 63.200 -0.118 0.000 0.876 466 S HN 0.541 nan 8.310 nan 0.000 0.448 467 R N 0.721 121.183 120.500 -0.064 0.000 2.105 467 R HA -0.082 4.258 4.340 -0.000 0.000 0.239 467 R C 2.630 178.876 176.300 -0.090 0.000 1.135 467 R CA 1.761 57.816 56.100 -0.075 0.000 0.967 467 R CB -0.317 29.937 30.300 -0.076 0.000 0.861 467 R HN 0.619 nan 8.270 nan 0.000 0.442 468 R N 0.155 120.576 120.500 -0.132 0.000 2.193 468 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 468 R C 1.937 178.037 176.300 -0.334 0.000 1.055 468 R CA 0.942 56.880 56.100 -0.269 0.000 0.995 468 R CB -0.309 29.796 30.300 -0.324 0.000 0.893 468 R HN 0.193 nan 8.270 nan 0.000 0.459 469 I N 1.244 121.729 120.570 -0.143 0.000 2.286 469 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 469 I C 2.486 178.534 176.117 -0.115 0.000 1.104 469 I CA 1.272 62.516 61.300 -0.093 0.000 1.397 469 I CB -0.144 37.689 38.000 -0.278 0.000 1.072 469 I HN 0.146 nan 8.210 nan 0.000 0.417 470 M N -0.511 119.004 119.600 -0.142 0.000 2.159 470 M HA -0.246 4.234 4.480 -0.000 0.000 0.263 470 M C 2.378 178.733 176.300 0.091 0.000 1.063 470 M CA 1.698 56.947 55.300 -0.085 0.000 1.110 470 M CB -0.699 31.847 32.600 -0.090 0.000 1.374 470 M HN 0.263 nan 8.290 nan 0.000 0.411 471 H N -0.368 118.692 119.070 -0.018 0.000 2.389 471 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 471 H C 1.543 176.978 175.328 0.177 0.000 1.081 471 H CA 1.844 57.902 56.048 0.017 0.000 1.345 471 H CB 0.044 29.757 29.762 -0.081 0.000 1.393 471 H HN 0.262 nan 8.280 nan 0.000 0.520 472 Y N -0.885 119.563 120.300 0.248 0.000 2.163 472 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 472 Y C 2.523 178.609 175.900 0.311 0.000 1.136 472 Y CA 0.972 59.254 58.100 0.304 0.000 1.147 472 Y CB -1.046 37.782 38.460 0.612 0.000 0.987 472 Y HN 0.356 nan 8.280 nan 0.000 0.509 473 W N -0.406 120.982 121.300 0.146 0.000 2.333 473 W HA -0.242 4.418 4.660 -0.000 0.000 0.316 473 W C 2.605 179.115 176.519 -0.016 0.000 1.215 473 W CA 1.197 58.561 57.345 0.032 0.000 1.278 473 W CB -0.542 28.882 29.460 -0.061 0.000 1.154 473 W HN 0.060 nan 8.180 nan 0.000 0.486 474 A N 0.182 123.101 122.820 0.166 0.000 1.877 474 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 474 A C 1.813 179.364 177.584 -0.054 0.000 1.186 474 A CA 2.404 54.447 52.037 0.010 0.000 0.620 474 A CB -1.312 17.682 19.000 -0.011 0.000 0.822 474 A HN 0.220 nan 8.150 nan 0.000 0.443 475 T N -0.605 113.879 114.554 -0.118 0.000 2.720 475 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 475 T C 1.606 176.240 174.700 -0.109 0.000 1.037 475 T CA 1.647 63.646 62.100 -0.167 0.000 1.144 475 T CB -0.415 68.292 68.868 -0.269 0.000 0.864 475 T HN 0.502 nan 8.240 nan 0.000 0.444 476 F N 2.273 122.110 119.950 -0.189 0.000 2.134 476 F HA 0.047 4.574 4.527 -0.000 0.000 0.299 476 F C 2.405 178.100 175.800 -0.175 0.000 1.097 476 F CA 0.848 58.700 58.000 -0.247 0.000 1.264 476 F CB -0.684 38.101 39.000 -0.359 0.000 1.001 476 F HN 0.138 nan 8.300 nan 0.000 0.479 477 A N 0.705 123.396 122.820 -0.215 0.000 1.902 477 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 477 A C 2.268 179.697 177.584 -0.258 0.000 1.181 477 A CA 1.964 53.848 52.037 -0.256 0.000 0.623 477 A CB -0.646 18.287 19.000 -0.113 0.000 0.818 477 A HN 0.496 nan 8.150 nan 0.000 0.443 478 K N -1.097 119.188 120.400 -0.191 0.000 2.062 478 K HA -0.071 4.248 4.320 -0.000 0.000 0.205 478 K C 1.962 178.460 176.600 -0.171 0.000 1.051 478 K CA 1.759 57.958 56.287 -0.147 0.000 0.941 478 K CB -0.213 32.226 32.500 -0.102 0.000 0.719 478 K HN 0.702 nan 8.250 nan 0.000 0.440 479 T N -4.279 110.147 114.554 -0.213 0.000 2.955 479 T HA 0.247 4.597 4.350 -0.000 0.000 0.251 479 T C 1.301 175.857 174.700 -0.240 0.000 1.002 479 T CA 0.463 62.453 62.100 -0.184 0.000 0.970 479 T CB 0.975 69.768 68.868 -0.125 0.000 1.091 479 T HN 0.310 nan 8.240 nan 0.000 0.495 480 G N 1.476 110.005 108.800 -0.451 0.000 2.141 480 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.231 480 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.231 480 G C -0.210 174.603 174.900 -0.145 0.000 0.984 480 G CA -0.013 44.776 45.100 -0.517 0.000 0.660 480 G HN 0.828 nan 8.290 nan 0.000 0.525 481 N N -0.125 118.486 118.700 -0.149 0.000 2.454 481 N HA 0.421 5.161 4.740 -0.000 0.000 0.291 481 N C -1.641 173.726 175.510 -0.238 0.000 1.079 481 N CA -1.460 51.480 53.050 -0.183 0.000 0.893 481 N CB 2.499 40.954 38.487 -0.054 0.000 1.512 481 N HN -0.055 nan 8.380 nan 0.000 0.497 482 P HA -0.048 nan 4.420 nan 0.000 0.230 482 P C -0.446 176.856 177.300 0.004 0.000 1.158 482 P CA 0.631 63.577 63.100 -0.256 0.000 0.769 482 P CB 0.375 31.668 31.700 -0.678 0.000 0.807 483 N N 1.069 119.740 118.700 -0.048 0.000 2.508 483 N HA 0.167 4.907 4.740 -0.000 0.000 0.285 483 N C 0.005 175.544 175.510 0.049 0.000 1.144 483 N CA -0.266 52.844 53.050 0.099 0.000 0.978 483 N CB 1.165 39.719 38.487 0.112 0.000 1.180 483 N HN 0.123 nan 8.380 nan 0.000 0.484 484 E N 2.068 122.316 120.200 0.081 0.000 2.134 484 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 484 E C -2.001 174.555 176.600 -0.072 0.000 0.959 484 E CA -1.655 54.752 56.400 0.010 0.000 0.783 484 E CB 1.211 30.960 29.700 0.081 0.000 1.095 484 E HN 0.353 nan 8.360 nan 0.000 0.399 485 P HA -0.147 nan 4.420 nan 0.000 0.269 485 P C -0.381 176.600 177.300 -0.531 0.000 1.205 485 P CA 0.239 63.160 63.100 -0.299 0.000 0.780 485 P CB 0.113 31.614 31.700 -0.332 0.000 0.858 486 H N -1.575 117.532 119.070 0.061 0.000 2.355 486 H HA -0.128 4.428 4.556 -0.000 0.000 0.324 486 H C -0.508 174.855 175.328 0.058 0.000 1.015 486 H CA 0.390 56.470 56.048 0.054 0.000 1.101 486 H CB -2.774 27.014 29.762 0.043 0.000 1.555 486 H HN 0.443 nan 8.280 nan 0.000 0.386 487 S N -1.600 114.173 115.700 0.122 0.000 2.621 487 S HA 0.482 4.952 4.470 -0.000 0.000 0.302 487 S C 0.896 175.563 174.600 0.111 0.000 1.093 487 S CA -0.777 57.497 58.200 0.124 0.000 1.017 487 S CB 2.346 65.604 63.200 0.097 0.000 1.077 487 S HN 0.300 nan 8.310 nan 0.000 0.517 488 Q N 0.616 120.473 119.800 0.096 0.000 2.331 488 Q HA 0.231 4.571 4.340 -0.000 0.000 0.203 488 Q C -0.200 175.848 176.000 0.081 0.000 0.944 488 Q CA 0.828 56.679 55.803 0.080 0.000 0.892 488 Q CB -0.295 28.481 28.738 0.063 0.000 0.983 488 Q HN 0.799 nan 8.270 nan 0.000 0.482 489 E N 0.846 121.101 120.200 0.091 0.000 2.415 489 E HA 0.117 4.467 4.350 -0.000 0.000 0.262 489 E C -0.245 176.432 176.600 0.128 0.000 1.038 489 E CA 0.022 56.484 56.400 0.103 0.000 0.921 489 E CB 0.516 30.284 29.700 0.114 0.000 0.950 489 E HN 0.175 nan 8.360 nan 0.000 0.438 490 S N 2.755 118.528 115.700 0.122 0.000 2.561 490 S HA -0.013 4.457 4.470 -0.000 0.000 0.294 490 S C -0.011 174.698 174.600 0.182 0.000 1.294 490 S CA -0.384 57.891 58.200 0.125 0.000 1.055 490 S CB 0.467 63.727 63.200 0.099 0.000 0.819 490 S HN 0.230 nan 8.310 nan 0.000 0.503 491 K N 1.937 122.439 120.400 0.169 0.000 2.201 491 K HA 0.151 4.471 4.320 -0.000 0.000 0.278 491 K C -0.348 176.419 176.600 0.279 0.000 1.027 491 K CA -0.392 56.027 56.287 0.221 0.000 0.909 491 K CB 0.783 33.391 32.500 0.181 0.000 1.062 491 K HN 0.858 nan 8.250 nan 0.000 0.465 492 W N 7.400 128.758 121.300 0.096 0.000 2.485 492 W HA 0.149 4.809 4.660 -0.000 0.000 0.315 492 W C -2.309 174.333 176.519 0.204 0.000 1.304 492 W CA -2.388 55.008 57.345 0.085 0.000 1.345 492 W CB -0.043 29.372 29.460 -0.076 0.000 1.368 492 W HN 0.375 nan 8.180 nan 0.000 0.497 493 P HA 0.142 nan 4.420 nan 0.000 0.277 493 P C -0.237 177.287 177.300 0.373 0.000 1.240 493 P CA -0.272 63.062 63.100 0.390 0.000 0.798 493 P CB 1.676 33.510 31.700 0.223 0.000 0.979 494 L N 1.915 123.197 121.223 0.097 0.000 2.461 494 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 494 L C 0.854 177.719 176.870 -0.008 0.000 1.197 494 L CA -0.452 54.255 54.840 -0.220 0.000 0.836 494 L CB -0.177 41.750 42.059 -0.219 0.000 1.105 494 L HN 0.350 nan 8.230 nan 0.000 0.477 495 F N 2.598 122.457 119.950 -0.152 0.000 2.424 495 F HA 0.334 4.861 4.527 -0.000 0.000 0.356 495 F C 0.441 176.218 175.800 -0.038 0.000 1.110 495 F CA -0.524 57.471 58.000 -0.007 0.000 1.161 495 F CB 0.880 39.904 39.000 0.039 0.000 1.115 495 F HN 0.456 nan 8.300 nan 0.000 0.507 496 T N 1.156 115.406 114.554 -0.506 0.000 2.912 496 T HA 0.185 4.535 4.350 -0.000 0.000 0.288 496 T C 0.911 175.318 174.700 -0.488 0.000 1.030 496 T CA -0.108 61.793 62.100 -0.332 0.000 1.020 496 T CB 1.522 70.272 68.868 -0.197 0.000 1.056 496 T HN 0.659 nan 8.240 nan 0.000 0.480 497 T N 0.168 114.589 114.554 -0.221 0.000 2.778 497 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 497 T C 1.602 176.200 174.700 -0.171 0.000 1.050 497 T CA 2.021 64.030 62.100 -0.151 0.000 1.137 497 T CB -0.520 68.303 68.868 -0.074 0.000 0.860 497 T HN 0.739 nan 8.240 nan 0.000 0.468 498 K N -0.175 120.127 120.400 -0.163 0.000 2.005 498 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 498 K C 2.229 178.747 176.600 -0.136 0.000 1.044 498 K CA 1.512 57.727 56.287 -0.121 0.000 0.942 498 K CB -0.051 32.395 32.500 -0.090 0.000 0.727 498 K HN 0.397 nan 8.250 nan 0.000 0.439 499 E N 0.311 120.406 120.200 -0.174 0.000 2.318 499 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 499 E C -0.418 176.062 176.600 -0.198 0.000 0.998 499 E CA 0.006 56.320 56.400 -0.143 0.000 0.859 499 E CB 0.428 30.066 29.700 -0.103 0.000 0.812 499 E HN 0.250 nan 8.360 nan 0.000 0.492 500 Q N 0.993 120.510 119.800 -0.472 0.000 2.423 500 Q HA -0.231 4.109 4.340 -0.000 0.000 0.332 500 Q C -0.827 175.103 176.000 -0.117 0.000 1.355 500 Q CA 0.574 55.919 55.803 -0.763 0.000 0.947 500 Q CB -1.365 27.208 28.738 -0.275 0.000 1.189 500 Q HN 0.206 nan 8.270 nan 0.000 0.418 501 K N 0.539 120.915 120.400 -0.039 0.000 2.168 501 K HA 0.623 4.943 4.320 -0.000 0.000 0.258 501 K C 0.001 176.917 176.600 0.527 0.000 1.010 501 K CA -0.023 56.385 56.287 0.202 0.000 0.929 501 K CB 0.541 33.096 32.500 0.092 0.000 0.998 501 K HN 0.254 nan 8.250 nan 0.000 0.479 502 F N -0.658 119.451 119.950 0.264 0.000 2.719 502 F HA 0.516 5.043 4.527 -0.000 0.000 0.309 502 F C -1.332 174.542 175.800 0.122 0.000 1.138 502 F CA -1.455 56.714 58.000 0.281 0.000 0.943 502 F CB 0.712 39.895 39.000 0.306 0.000 1.304 502 F HN 0.422 nan 8.300 nan 0.000 0.445 503 I N -0.303 120.299 120.570 0.052 0.000 2.797 503 I HA 0.661 4.831 4.170 -0.000 0.000 0.307 503 I C -1.063 175.147 176.117 0.155 0.000 1.033 503 I CA -0.823 60.374 61.300 -0.171 0.000 1.071 503 I CB 1.866 39.594 38.000 -0.454 0.000 1.255 503 I HN 0.451 nan 8.210 nan 0.000 0.445 504 D N 3.703 124.188 120.400 0.142 0.000 2.264 504 D HA 0.442 5.082 4.640 -0.000 0.000 0.249 504 D C -0.863 175.517 176.300 0.133 0.000 1.070 504 D CA 0.002 54.198 54.000 0.327 0.000 0.912 504 D CB 2.175 43.179 40.800 0.340 0.000 1.193 504 D HN 0.247 nan 8.370 nan 0.000 0.427 505 L N 3.252 124.559 121.223 0.140 0.000 2.295 505 L HA 0.312 4.652 4.340 -0.000 0.000 0.281 505 L C -0.485 176.312 176.870 -0.122 0.000 1.018 505 L CA -0.336 54.538 54.840 0.057 0.000 0.841 505 L CB -0.012 42.167 42.059 0.199 0.000 1.218 505 L HN 0.499 nan 8.230 nan 0.000 0.424 506 N N -0.292 118.341 118.700 -0.112 0.000 3.364 506 N HA 0.295 5.035 4.740 -0.000 0.000 0.294 506 N C 0.272 175.681 175.510 -0.169 0.000 1.562 506 N CA -0.088 52.838 53.050 -0.206 0.000 0.862 506 N CB 0.375 38.796 38.487 -0.111 0.000 1.691 506 N HN 0.106 nan 8.380 nan 0.000 0.572 507 T N -3.521 110.916 114.554 -0.197 0.000 3.148 507 T HA 0.207 4.557 4.350 -0.000 0.000 0.253 507 T C -0.063 174.611 174.700 -0.043 0.000 1.134 507 T CA 0.318 62.340 62.100 -0.130 0.000 1.051 507 T CB -0.487 68.297 68.868 -0.139 0.000 0.959 507 T HN 0.487 nan 8.240 nan 0.000 0.525 508 E N 1.845 122.033 120.200 -0.020 0.000 2.250 508 E HA 0.405 4.754 4.350 -0.000 0.000 0.265 508 E C -2.556 174.048 176.600 0.006 0.000 1.033 508 E CA -2.620 53.782 56.400 0.005 0.000 0.888 508 E CB 0.424 30.137 29.700 0.021 0.000 1.151 508 E HN 0.143 nan 8.360 nan 0.000 0.412 509 P HA -0.106 nan 4.420 nan 0.000 0.267 509 P C -0.411 176.891 177.300 0.004 0.000 1.201 509 P CA 0.352 63.459 63.100 0.012 0.000 0.775 509 P CB 0.394 32.101 31.700 0.011 0.000 0.854 510 M N 2.581 122.187 119.600 0.009 0.000 2.252 510 M HA 0.020 4.500 4.480 -0.000 0.000 0.329 510 M C -0.364 175.892 176.300 -0.072 0.000 1.101 510 M CA 1.097 56.386 55.300 -0.018 0.000 1.117 510 M CB 0.085 32.691 32.600 0.010 0.000 1.563 510 M HN 0.201 nan 8.290 nan 0.000 0.445 511 K N 3.513 123.824 120.400 -0.149 0.000 2.427 511 K HA 0.556 4.876 4.320 -0.000 0.000 0.252 511 K C -1.668 174.641 176.600 -0.485 0.000 0.931 511 K CA -0.899 55.213 56.287 -0.292 0.000 0.793 511 K CB 2.551 34.867 32.500 -0.308 0.000 1.211 511 K HN 0.481 nan 8.250 nan 0.000 0.426 512 V N 4.019 123.639 119.914 -0.490 0.000 2.398 512 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 512 V C -0.153 175.545 176.094 -0.660 0.000 1.026 512 V CA -0.632 61.384 62.300 -0.472 0.000 0.868 512 V CB 1.021 32.715 31.823 -0.214 0.000 0.982 512 V HN 0.704 nan 8.190 nan 0.000 0.443 513 H N 3.057 121.781 119.070 -0.577 0.000 2.896 513 H HA 0.692 5.248 4.556 -0.000 0.000 0.318 513 H C -0.889 174.195 175.328 -0.405 0.000 1.409 513 H CA -0.821 54.863 56.048 -0.607 0.000 1.328 513 H CB 2.024 31.163 29.762 -1.038 0.000 1.940 513 H HN 0.575 nan 8.280 nan 0.000 0.665 514 Q N 0.268 120.115 119.800 0.078 0.000 2.379 514 Q HA 0.348 4.688 4.340 -0.000 0.000 0.278 514 Q C -0.678 175.538 176.000 0.359 0.000 1.068 514 Q CA -0.893 55.048 55.803 0.230 0.000 0.816 514 Q CB 2.957 31.754 28.738 0.098 0.000 1.387 514 Q HN 0.482 nan 8.270 nan 0.000 0.413 515 R N 0.991 121.700 120.500 0.348 0.000 3.079 515 R HA -0.203 4.137 4.340 -0.000 0.000 0.254 515 R C -0.497 175.928 176.300 0.209 0.000 0.900 515 R CA -0.110 56.141 56.100 0.251 0.000 0.641 515 R CB -1.524 28.867 30.300 0.152 0.000 1.307 515 R HN 0.494 nan 8.270 nan 0.000 0.477 516 L N 2.551 123.834 121.223 0.101 0.000 2.700 516 L HA -0.043 4.297 4.340 -0.000 0.000 0.272 516 L C 0.852 177.674 176.870 -0.079 0.000 1.176 516 L CA 0.780 55.475 54.840 -0.241 0.000 0.961 516 L CB -0.244 41.368 42.059 -0.744 0.000 1.249 516 L HN 0.455 nan 8.230 nan 0.000 0.487 517 R N 2.110 122.580 120.500 -0.049 0.000 3.301 517 R HA -0.204 4.136 4.340 -0.000 0.000 0.249 517 R C 1.289 177.640 176.300 0.085 0.000 0.964 517 R CA 0.625 56.742 56.100 0.027 0.000 0.653 517 R CB -2.089 28.243 30.300 0.053 0.000 1.043 517 R HN 0.786 nan 8.270 nan 0.000 0.454 518 V N -3.087 116.878 119.914 0.084 0.000 2.332 518 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 518 V C 2.272 178.431 176.094 0.108 0.000 1.055 518 V CA 2.148 64.511 62.300 0.105 0.000 1.038 518 V CB -0.461 31.418 31.823 0.094 0.000 0.651 518 V HN 0.343 nan 8.190 nan 0.000 0.450 519 Q N -0.098 119.747 119.800 0.075 0.000 2.014 519 Q HA -0.191 4.148 4.340 -0.000 0.000 0.207 519 Q C 2.192 178.244 176.000 0.086 0.000 0.993 519 Q CA 2.516 58.350 55.803 0.051 0.000 0.850 519 Q CB -0.456 28.282 28.738 -0.000 0.000 0.916 519 Q HN 0.583 nan 8.270 nan 0.000 0.417 520 M N -1.050 118.621 119.600 0.117 0.000 2.132 520 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 520 M C 2.414 178.979 176.300 0.441 0.000 1.065 520 M CA 1.000 56.439 55.300 0.232 0.000 1.122 520 M CB -1.285 31.509 32.600 0.324 0.000 1.365 520 M HN 0.335 nan 8.290 nan 0.000 0.411 521 c N -0.309 118.509 118.600 0.362 0.000 2.432 521 c HA -0.039 4.530 4.570 -0.000 0.000 0.282 521 c C 2.951 177.231 174.090 0.316 0.000 1.388 521 c CA 0.245 56.802 56.329 0.380 0.000 1.777 521 c CB -0.981 41.685 42.510 0.260 0.000 1.882 521 c HN 0.326 nan 8.230 nan 0.000 0.520 522 V N 0.415 120.475 119.914 0.243 0.000 2.358 522 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 522 V C 2.049 178.273 176.094 0.217 0.000 1.047 522 V CA 2.167 64.584 62.300 0.196 0.000 1.035 522 V CB -0.772 31.136 31.823 0.140 0.000 0.658 522 V HN 0.562 nan 8.190 nan 0.000 0.452 523 F N -0.142 119.846 119.950 0.062 0.000 2.102 523 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 523 F C 2.001 177.793 175.800 -0.013 0.000 1.105 523 F CA 1.804 59.793 58.000 -0.017 0.000 1.239 523 F CB -0.363 38.493 39.000 -0.239 0.000 0.991 523 F HN 0.161 nan 8.300 nan 0.000 0.474 524 W N 0.573 122.031 121.300 0.262 0.000 2.418 524 W HA -0.109 4.551 4.660 -0.000 0.000 0.292 524 W C 2.204 178.734 176.519 0.017 0.000 1.213 524 W CA 0.845 58.269 57.345 0.130 0.000 1.283 524 W CB -0.471 29.154 29.460 0.275 0.000 1.119 524 W HN -0.048 nan 8.180 nan 0.000 0.542 525 N N -0.500 118.357 118.700 0.262 0.000 2.395 525 N HA -0.039 4.700 4.740 -0.000 0.000 0.175 525 N C 1.396 176.937 175.510 0.052 0.000 1.029 525 N CA 1.055 54.169 53.050 0.107 0.000 0.897 525 N CB -0.134 38.444 38.487 0.153 0.000 0.991 525 N HN 0.395 nan 8.380 nan 0.000 0.441 526 Q N -1.124 118.721 119.800 0.075 0.000 2.619 526 Q HA 0.186 4.525 4.340 -0.000 0.000 0.230 526 Q C 1.311 177.320 176.000 0.016 0.000 0.871 526 Q CA -0.105 55.733 55.803 0.059 0.000 0.934 526 Q CB 0.041 28.843 28.738 0.107 0.000 1.183 526 Q HN 0.109 nan 8.270 nan 0.000 0.631 527 F N 1.780 121.642 119.950 -0.146 0.000 2.084 527 F HA -0.156 4.371 4.527 -0.000 0.000 0.296 527 F C 1.943 177.544 175.800 -0.332 0.000 1.111 527 F CA 0.951 58.819 58.000 -0.220 0.000 1.224 527 F CB -0.271 38.595 39.000 -0.223 0.000 0.991 527 F HN 0.037 nan 8.300 nan 0.000 0.471 528 L N 1.125 121.921 121.223 -0.711 0.000 2.012 528 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 528 L C -0.815 175.781 176.870 -0.457 0.000 1.073 528 L CA 2.187 56.568 54.840 -0.765 0.000 0.748 528 L CB -1.928 39.672 42.059 -0.766 0.000 0.891 528 L HN 0.005 nan 8.230 nan 0.000 0.431 529 P HA -0.199 nan 4.420 nan 0.000 0.215 529 P C 1.416 178.599 177.300 -0.194 0.000 1.153 529 P CA 1.712 64.717 63.100 -0.159 0.000 0.853 529 P CB -0.058 31.586 31.700 -0.093 0.000 0.788 530 K N -0.751 119.504 120.400 -0.241 0.000 2.097 530 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 530 K C 2.095 178.530 176.600 -0.276 0.000 1.049 530 K CA 1.024 57.182 56.287 -0.215 0.000 0.933 530 K CB -0.795 31.592 32.500 -0.188 0.000 0.717 530 K HN 0.176 nan 8.250 nan 0.000 0.442 531 L N 1.068 122.016 121.223 -0.457 0.000 2.027 531 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 531 L C 2.018 178.739 176.870 -0.248 0.000 1.074 531 L CA 1.145 55.732 54.840 -0.423 0.000 0.745 531 L CB -0.073 41.590 42.059 -0.660 0.000 0.898 531 L HN 0.139 nan 8.230 nan 0.000 0.433 532 L N -0.032 121.056 121.223 -0.225 0.000 2.275 532 L HA -0.161 4.178 4.340 -0.000 0.000 0.215 532 L C 1.868 178.682 176.870 -0.093 0.000 1.119 532 L CA 0.992 55.750 54.840 -0.136 0.000 0.790 532 L CB -0.631 41.367 42.059 -0.102 0.000 0.919 532 L HN 0.395 nan 8.230 nan 0.000 0.443 533 N N 0.336 118.974 118.700 -0.102 0.000 2.461 533 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 533 N C 0.365 175.838 175.510 -0.063 0.000 1.134 533 N CA 0.328 53.337 53.050 -0.069 0.000 0.878 533 N CB 0.272 38.718 38.487 -0.067 0.000 0.972 533 N HN 0.258 nan 8.380 nan 0.000 0.456 534 A N -1.279 121.494 122.820 -0.078 0.000 2.269 534 A HA 0.718 5.038 4.320 -0.000 0.000 0.319 534 A C 0.255 177.811 177.584 -0.047 0.000 1.110 534 A CA -0.241 51.759 52.037 -0.061 0.000 0.847 534 A CB 1.050 20.006 19.000 -0.072 0.000 1.161 534 A HN 0.238 nan 8.150 nan 0.000 0.497 535 T N 0.000 114.534 114.554 -0.034 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.021 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658