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 3dlp_1_X DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSGTTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VPDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QVSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.622 32.600 0.037 0.000 1.302 2 Q N 2.212 122.045 119.800 0.056 0.000 2.337 2 Q HA 0.459 4.799 4.340 -0.001 0.000 0.264 2 Q C -1.047 175.010 176.000 0.096 0.000 1.007 2 Q CA -0.413 55.430 55.803 0.067 0.000 0.727 2 Q CB 2.063 30.836 28.738 0.057 0.000 1.256 2 Q HN 0.874 nan 8.270 nan 0.000 0.467 3 T N -1.565 113.066 114.554 0.129 0.000 2.766 3 T HA 0.169 4.519 4.350 -0.001 0.000 0.295 3 T C 1.454 176.296 174.700 0.237 0.000 1.024 3 T CA -0.637 61.587 62.100 0.208 0.000 1.018 3 T CB 0.875 69.894 68.868 0.253 0.000 1.002 3 T HN 0.304 nan 8.240 nan 0.000 0.532 4 V N 1.732 121.839 119.914 0.322 0.000 2.233 4 V HA -0.218 3.901 4.120 -0.001 0.000 0.247 4 V C 2.870 179.130 176.094 0.277 0.000 1.050 4 V CA 2.574 65.015 62.300 0.234 0.000 1.010 4 V CB -1.424 30.473 31.823 0.123 0.000 0.637 4 V HN 1.033 nan 8.190 nan 0.000 0.444 5 N N 0.024 119.025 118.700 0.501 0.000 2.061 5 N HA -0.263 4.477 4.740 -0.001 0.000 0.193 5 N C 1.793 177.410 175.510 0.180 0.000 1.030 5 N CA 1.942 55.192 53.050 0.332 0.000 0.856 5 N CB -0.217 38.390 38.487 0.201 0.000 1.023 5 N HN 0.463 nan 8.380 nan 0.000 0.424 6 E N -0.059 120.238 120.200 0.162 0.000 2.106 6 E HA -0.076 4.273 4.350 -0.001 0.000 0.192 6 E C 1.959 178.613 176.600 0.089 0.000 0.984 6 E CA 1.122 57.584 56.400 0.103 0.000 0.806 6 E CB -0.187 29.567 29.700 0.091 0.000 0.750 6 E HN 0.485 nan 8.360 nan 0.000 0.458 7 M N -0.509 119.151 119.600 0.100 0.000 2.086 7 M HA -0.138 4.342 4.480 -0.001 0.000 0.261 7 M C 2.043 178.387 176.300 0.074 0.000 1.067 7 M CA 1.309 56.653 55.300 0.075 0.000 1.116 7 M CB -0.204 32.435 32.600 0.065 0.000 1.348 7 M HN 0.162 nan 8.290 nan 0.000 0.407 8 L N -1.118 120.160 121.223 0.091 0.000 2.156 8 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 8 L C 2.607 179.541 176.870 0.106 0.000 1.095 8 L CA 0.920 55.821 54.840 0.103 0.000 0.770 8 L CB -0.771 41.350 42.059 0.103 0.000 0.914 8 L HN 0.332 nan 8.230 nan 0.000 0.439 9 R N 0.812 121.366 120.500 0.090 0.000 2.075 9 R HA -0.136 4.204 4.340 -0.001 0.000 0.232 9 R C 2.471 178.804 176.300 0.054 0.000 1.126 9 R CA 1.299 57.443 56.100 0.072 0.000 0.963 9 R CB -0.015 30.321 30.300 0.060 0.000 0.858 9 R HN 0.276 nan 8.270 nan 0.000 0.435 10 R N 0.016 120.544 120.500 0.047 0.000 2.066 10 R HA -0.056 4.284 4.340 -0.001 0.000 0.232 10 R C 2.420 178.728 176.300 0.014 0.000 1.131 10 R CA 1.353 57.469 56.100 0.027 0.000 0.955 10 R CB -0.420 29.893 30.300 0.022 0.000 0.851 10 R HN 0.254 nan 8.270 nan 0.000 0.432 11 A N 1.588 124.419 122.820 0.017 0.000 1.873 11 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 11 A C 2.430 179.957 177.584 -0.095 0.000 1.193 11 A CA 2.033 54.045 52.037 -0.042 0.000 0.629 11 A CB -0.959 18.031 19.000 -0.017 0.000 0.826 11 A HN 0.428 nan 8.150 nan 0.000 0.447 12 A N -0.576 122.256 122.820 0.020 0.000 1.948 12 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 12 A C 2.437 180.037 177.584 0.028 0.000 1.177 12 A CA 2.863 54.940 52.037 0.067 0.000 0.636 12 A CB -1.445 17.622 19.000 0.112 0.000 0.815 12 A HN 0.928 nan 8.150 nan 0.000 0.449 13 T N -2.773 111.790 114.554 0.014 0.000 2.942 13 T HA -0.047 4.302 4.350 -0.001 0.000 0.265 13 T C 1.902 176.601 174.700 -0.002 0.000 1.062 13 T CA 1.073 63.179 62.100 0.011 0.000 1.139 13 T CB -0.281 68.593 68.868 0.010 0.000 0.883 13 T HN 0.554 nan 8.240 nan 0.000 0.468 14 R N 1.429 121.918 120.500 -0.019 0.000 2.119 14 R HA 0.365 4.705 4.340 -0.001 0.000 0.222 14 R C 1.230 177.509 176.300 -0.035 0.000 1.088 14 R CA 0.992 57.081 56.100 -0.019 0.000 0.984 14 R CB 0.044 30.343 30.300 -0.002 0.000 0.884 14 R HN 0.456 nan 8.270 nan 0.000 0.447 15 A N 1.115 123.886 122.820 -0.081 0.000 3.355 15 A HA 0.278 4.597 4.320 -0.001 0.000 0.290 15 A C -2.103 175.492 177.584 0.020 0.000 0.973 15 A CA -1.060 50.933 52.037 -0.072 0.000 0.933 15 A CB 0.646 19.528 19.000 -0.197 0.000 1.138 15 A HN -0.047 nan 8.150 nan 0.000 0.490 16 P HA -0.094 nan 4.420 nan 0.000 0.219 16 P C 0.053 177.429 177.300 0.128 0.000 1.150 16 P CA 1.262 64.422 63.100 0.100 0.000 0.814 16 P CB 0.304 32.041 31.700 0.063 0.000 0.787 17 D N -2.036 118.434 120.400 0.116 0.000 2.368 17 D HA 0.047 4.686 4.640 -0.001 0.000 0.218 17 D C 0.334 176.718 176.300 0.140 0.000 1.112 17 D CA 0.051 54.114 54.000 0.104 0.000 0.834 17 D CB -0.493 40.349 40.800 0.071 0.000 0.953 17 D HN 0.320 nan 8.370 nan 0.000 0.505 18 H N -0.079 119.052 119.070 0.102 0.000 2.472 18 H HA 0.232 4.787 4.556 -0.001 0.000 0.335 18 H C -0.379 175.045 175.328 0.160 0.000 1.136 18 H CA -0.618 55.500 56.048 0.117 0.000 1.264 18 H CB 1.093 30.916 29.762 0.102 0.000 1.486 18 H HN -0.121 nan 8.280 nan 0.000 0.517 19 C N 4.613 123.565 119.300 -0.580 0.000 2.648 19 C HA 0.367 4.826 4.460 -0.001 0.000 0.406 19 C C 1.491 176.354 174.990 -0.212 0.000 1.406 19 C CA 0.495 59.303 59.018 -0.349 0.000 1.610 19 C CB -2.005 25.523 27.740 -0.353 0.000 2.451 19 C HN 0.904 nan 8.230 nan 0.000 0.608 20 A N 4.983 127.679 122.820 -0.207 0.000 1.963 20 A HA 0.392 4.712 4.320 -0.001 0.000 0.207 20 A C 0.366 177.852 177.584 -0.163 0.000 1.243 20 A CA 0.391 52.194 52.037 -0.389 0.000 0.728 20 A CB 0.007 18.549 19.000 -0.763 0.000 0.895 20 A HN 0.810 nan 8.150 nan 0.000 0.467 21 L N -0.633 120.529 121.223 -0.101 0.000 2.464 21 L HA 0.716 5.055 4.340 -0.001 0.000 0.266 21 L C -1.371 175.492 176.870 -0.013 0.000 0.965 21 L CA -0.665 54.173 54.840 -0.003 0.000 0.833 21 L CB 2.078 44.144 42.059 0.011 0.000 1.296 21 L HN 0.214 nan 8.230 nan 0.000 0.405 22 A N 4.322 127.139 122.820 -0.004 0.000 2.398 22 A HA 0.738 5.057 4.320 -0.001 0.000 0.301 22 A C -1.336 176.234 177.584 -0.025 0.000 1.041 22 A CA -0.463 51.557 52.037 -0.028 0.000 0.711 22 A CB 1.901 20.871 19.000 -0.049 0.000 1.240 22 A HN 0.411 nan 8.150 nan 0.000 0.420 23 V N 4.122 124.026 119.914 -0.016 0.000 2.235 23 V HA 0.281 4.401 4.120 -0.001 0.000 0.266 23 V C -1.679 174.403 176.094 -0.020 0.000 1.055 23 V CA -1.009 61.282 62.300 -0.015 0.000 0.844 23 V CB 0.824 32.649 31.823 0.003 0.000 1.097 23 V HN 0.803 nan 8.190 nan 0.000 0.453 24 P HA -0.112 nan 4.420 nan 0.000 0.220 24 P C 1.417 178.703 177.300 -0.023 0.000 1.148 24 P CA 1.455 64.538 63.100 -0.028 0.000 0.803 24 P CB 0.549 32.228 31.700 -0.035 0.000 0.782 25 A N 0.355 123.162 122.820 -0.022 0.000 1.970 25 A HA -0.043 4.277 4.320 -0.001 0.000 0.216 25 A C 2.252 179.829 177.584 -0.012 0.000 1.170 25 A CA 0.839 52.865 52.037 -0.018 0.000 0.645 25 A CB -0.761 18.228 19.000 -0.019 0.000 0.816 25 A HN 0.073 nan 8.150 nan 0.000 0.447 26 R N -1.443 119.052 120.500 -0.009 0.000 2.334 26 R HA 0.202 4.541 4.340 -0.001 0.000 0.216 26 R C 1.155 177.451 176.300 -0.006 0.000 0.905 26 R CA 0.503 56.601 56.100 -0.004 0.000 1.064 26 R CB 0.078 30.380 30.300 0.003 0.000 1.046 26 R HN 0.627 nan 8.270 nan 0.000 0.508 27 G N 1.580 110.374 108.800 -0.011 0.000 2.155 27 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.257 27 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.257 27 G C -0.200 174.692 174.900 -0.013 0.000 0.983 27 G CA 0.068 45.161 45.100 -0.012 0.000 0.676 27 G HN 0.211 nan 8.290 nan 0.000 0.528 28 L N 1.160 122.377 121.223 -0.011 0.000 2.276 28 L HA 0.731 5.071 4.340 -0.001 0.000 0.286 28 L C 0.224 177.084 176.870 -0.017 0.000 1.061 28 L CA -0.773 54.060 54.840 -0.010 0.000 0.807 28 L CB 0.662 42.719 42.059 -0.002 0.000 1.177 28 L HN 0.157 nan 8.230 nan 0.000 0.429 29 R N 6.578 127.065 120.500 -0.022 0.000 2.476 29 R HA 0.579 4.918 4.340 -0.001 0.000 0.305 29 R C -1.546 174.734 176.300 -0.033 0.000 0.965 29 R CA -0.600 55.480 56.100 -0.032 0.000 0.867 29 R CB 1.650 31.928 30.300 -0.036 0.000 1.176 29 R HN 0.632 nan 8.270 nan 0.000 0.447 30 L N 2.162 123.359 121.223 -0.043 0.000 2.381 30 L HA 0.420 4.760 4.340 -0.001 0.000 0.274 30 L C 0.819 177.647 176.870 -0.070 0.000 0.988 30 L CA -0.813 54.000 54.840 -0.046 0.000 0.824 30 L CB 2.370 44.405 42.059 -0.039 0.000 1.263 30 L HN 0.678 nan 8.230 nan 0.000 0.410 31 T N -3.159 111.369 114.554 -0.043 0.000 2.788 31 T HA 0.196 4.545 4.350 -0.001 0.000 0.280 31 T C 1.220 175.909 174.700 -0.018 0.000 0.984 31 T CA -0.381 61.708 62.100 -0.018 0.000 0.972 31 T CB 0.879 69.769 68.868 0.035 0.000 1.039 31 T HN 0.489 nan 8.240 nan 0.000 0.530 32 H N 0.619 119.711 119.070 0.035 0.000 2.319 32 H HA -0.076 4.479 4.556 -0.001 0.000 0.299 32 H C 2.542 177.890 175.328 0.034 0.000 1.092 32 H CA 1.914 57.988 56.048 0.043 0.000 1.302 32 H CB -0.538 29.263 29.762 0.064 0.000 1.373 32 H HN 0.808 nan 8.280 nan 0.000 0.497 33 A N 1.095 124.006 122.820 0.151 0.000 1.933 33 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 33 A C 2.298 179.912 177.584 0.051 0.000 1.175 33 A CA 1.571 53.660 52.037 0.087 0.000 0.628 33 A CB -0.303 18.739 19.000 0.070 0.000 0.814 33 A HN 0.457 nan 8.150 nan 0.000 0.444 34 E N -0.751 119.470 120.200 0.036 0.000 2.047 34 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 34 E C 1.978 178.581 176.600 0.005 0.000 0.987 34 E CA 1.144 57.552 56.400 0.013 0.000 0.799 34 E CB -0.252 29.449 29.700 0.002 0.000 0.752 34 E HN 0.532 nan 8.360 nan 0.000 0.449 35 L N 1.223 122.442 121.223 -0.007 0.000 2.012 35 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 35 L C 2.143 179.020 176.870 0.010 0.000 1.073 35 L CA 1.634 56.466 54.840 -0.014 0.000 0.748 35 L CB -0.088 41.937 42.059 -0.058 0.000 0.891 35 L HN -0.056 nan 8.230 nan 0.000 0.431 36 R N 0.219 120.736 120.500 0.029 0.000 2.091 36 R HA -0.083 4.257 4.340 -0.001 0.000 0.238 36 R C 2.272 178.589 176.300 0.029 0.000 1.136 36 R CA 1.455 57.580 56.100 0.041 0.000 0.959 36 R CB -1.594 28.741 30.300 0.059 0.000 0.856 36 R HN 0.571 nan 8.270 nan 0.000 0.437 37 A N 0.979 123.812 122.820 0.022 0.000 1.933 37 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 37 A C 2.276 179.865 177.584 0.008 0.000 1.175 37 A CA 1.465 53.510 52.037 0.014 0.000 0.628 37 A CB -0.323 18.683 19.000 0.011 0.000 0.814 37 A HN 0.232 nan 8.150 nan 0.000 0.444 38 R N -0.891 119.613 120.500 0.007 0.000 2.090 38 R HA -0.017 4.323 4.340 -0.001 0.000 0.228 38 R C 1.996 178.303 176.300 0.012 0.000 1.110 38 R CA 1.234 57.337 56.100 0.005 0.000 0.973 38 R CB -0.490 29.811 30.300 0.003 0.000 0.869 38 R HN 0.352 nan 8.270 nan 0.000 0.440 39 V N 1.463 121.389 119.914 0.020 0.000 2.332 39 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 39 V C 2.142 178.249 176.094 0.022 0.000 1.055 39 V CA 1.764 64.083 62.300 0.031 0.000 1.038 39 V CB -0.379 31.472 31.823 0.047 0.000 0.651 39 V HN 0.304 nan 8.190 nan 0.000 0.450 40 E N 0.225 120.434 120.200 0.015 0.000 2.110 40 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 40 E C 2.322 178.919 176.600 -0.005 0.000 0.988 40 E CA 1.547 57.949 56.400 0.003 0.000 0.804 40 E CB -0.390 29.312 29.700 0.003 0.000 0.745 40 E HN 0.600 nan 8.360 nan 0.000 0.458 41 A N 0.952 123.769 122.820 -0.006 0.000 1.872 41 A HA -0.081 4.239 4.320 -0.001 0.000 0.214 41 A C 2.593 180.159 177.584 -0.030 0.000 1.187 41 A CA 1.100 53.127 52.037 -0.017 0.000 0.614 41 A CB -0.548 18.442 19.000 -0.016 0.000 0.826 41 A HN 0.119 nan 8.150 nan 0.000 0.442 42 V N 0.112 120.016 119.914 -0.016 0.000 2.427 42 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 42 V C 3.012 179.098 176.094 -0.014 0.000 1.051 42 V CA 1.735 64.024 62.300 -0.017 0.000 1.048 42 V CB -1.323 30.505 31.823 0.008 0.000 0.666 42 V HN 0.602 nan 8.190 nan 0.000 0.456 43 A N 0.502 123.322 122.820 0.001 0.000 1.851 43 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 43 A C 2.435 180.033 177.584 0.024 0.000 1.195 43 A CA 2.348 54.391 52.037 0.011 0.000 0.622 43 A CB -1.011 17.992 19.000 0.005 0.000 0.831 43 A HN 0.591 nan 8.150 nan 0.000 0.444 44 A N -1.379 121.442 122.820 0.001 0.000 2.019 44 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 44 A C 2.249 179.852 177.584 0.031 0.000 1.164 44 A CA 1.573 53.616 52.037 0.011 0.000 0.644 44 A CB -0.451 18.540 19.000 -0.015 0.000 0.805 44 A HN 0.393 nan 8.150 nan 0.000 0.449 45 R N -0.638 119.830 120.500 -0.054 0.000 2.075 45 R HA -0.052 4.288 4.340 -0.001 0.000 0.226 45 R C 2.343 178.597 176.300 -0.077 0.000 1.114 45 R CA 1.606 57.591 56.100 -0.192 0.000 0.972 45 R CB -1.099 28.997 30.300 -0.339 0.000 0.869 45 R HN 0.497 nan 8.270 nan 0.000 0.437 46 L N 0.646 121.855 121.223 -0.023 0.000 2.131 46 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 46 L C 2.581 179.479 176.870 0.046 0.000 1.092 46 L CA 2.417 57.261 54.840 0.007 0.000 0.759 46 L CB -1.685 40.376 42.059 0.004 0.000 0.903 46 L HN 0.366 nan 8.230 nan 0.000 0.435 47 H N -0.046 119.019 119.070 -0.008 0.000 2.395 47 H HA 0.002 4.557 4.556 -0.001 0.000 0.299 47 H C 2.389 177.738 175.328 0.036 0.000 1.070 47 H CA 1.443 57.495 56.048 0.006 0.000 1.356 47 H CB 0.026 29.789 29.762 0.001 0.000 1.401 47 H HN 0.545 nan 8.280 nan 0.000 0.524 48 A N 0.533 123.487 122.820 0.222 0.000 2.125 48 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 48 A C 1.319 179.005 177.584 0.169 0.000 1.156 48 A CA 1.595 53.771 52.037 0.231 0.000 0.671 48 A CB -0.146 19.067 19.000 0.354 0.000 0.794 48 A HN 0.373 nan 8.150 nan 0.000 0.459 49 D N -1.384 119.084 120.400 0.114 0.000 2.342 49 D HA 0.339 4.979 4.640 -0.001 0.000 0.221 49 D C 1.224 177.515 176.300 -0.015 0.000 1.101 49 D CA 0.936 54.978 54.000 0.069 0.000 0.837 49 D CB 0.085 40.931 40.800 0.076 0.000 0.938 49 D HN 0.521 nan 8.370 nan 0.000 0.508 50 G N 0.714 109.462 108.800 -0.086 0.000 2.141 50 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.242 50 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.242 50 G C 0.091 174.888 174.900 -0.172 0.000 0.982 50 G CA -0.232 44.780 45.100 -0.146 0.000 0.662 50 G HN 0.326 nan 8.290 nan 0.000 0.527 51 L N 1.389 122.514 121.223 -0.164 0.000 2.367 51 L HA 0.675 5.014 4.340 -0.001 0.000 0.275 51 L C 0.783 177.554 176.870 -0.166 0.000 1.129 51 L CA -0.146 54.620 54.840 -0.124 0.000 0.839 51 L CB 0.485 42.505 42.059 -0.065 0.000 1.133 51 L HN 0.192 nan 8.230 nan 0.000 0.453 52 R N 4.078 124.516 120.500 -0.104 0.000 2.902 52 R HA 0.582 4.922 4.340 -0.001 0.000 0.258 52 R C -2.497 173.786 176.300 -0.029 0.000 1.071 52 R CA -2.245 53.814 56.100 -0.068 0.000 1.024 52 R CB 0.691 30.950 30.300 -0.067 0.000 1.184 52 R HN 0.337 nan 8.270 nan 0.000 0.492 53 P HA 0.050 nan 4.420 nan 0.000 0.270 53 P C -0.142 177.138 177.300 -0.034 0.000 1.223 53 P CA 0.174 63.260 63.100 -0.024 0.000 0.785 53 P CB 0.535 32.225 31.700 -0.016 0.000 0.923 54 Q N -2.226 117.547 119.800 -0.046 0.000 2.305 54 Q HA -0.244 4.096 4.340 -0.001 0.000 0.203 54 Q C -0.299 175.676 176.000 -0.042 0.000 0.663 54 Q CA 1.396 57.174 55.803 -0.043 0.000 1.389 54 Q CB -1.635 27.084 28.738 -0.032 0.000 1.566 54 Q HN 0.695 nan 8.270 nan 0.000 0.755 55 Q N 0.775 120.549 119.800 -0.044 0.000 2.314 55 Q HA 0.302 4.641 4.340 -0.001 0.000 0.258 55 Q C -0.079 175.893 176.000 -0.047 0.000 0.954 55 Q CA 0.014 55.792 55.803 -0.042 0.000 0.890 55 Q CB 0.666 29.378 28.738 -0.044 0.000 1.210 55 Q HN 0.086 nan 8.270 nan 0.000 0.410 56 R N 1.371 121.848 120.500 -0.039 0.000 2.221 56 R HA 0.347 4.686 4.340 -0.001 0.000 0.327 56 R C -0.906 175.371 176.300 -0.038 0.000 1.033 56 R CA -0.350 55.728 56.100 -0.038 0.000 0.887 56 R CB 0.856 31.145 30.300 -0.018 0.000 1.057 56 R HN 0.294 nan 8.270 nan 0.000 0.455 57 V N 2.891 122.776 119.914 -0.047 0.000 2.378 57 V HA 0.372 4.491 4.120 -0.001 0.000 0.288 57 V C 0.255 176.320 176.094 -0.049 0.000 1.016 57 V CA -1.004 61.267 62.300 -0.049 0.000 0.840 57 V CB 1.554 33.345 31.823 -0.052 0.000 0.994 57 V HN 0.918 nan 8.190 nan 0.000 0.431 58 A N 4.850 127.642 122.820 -0.047 0.000 2.462 58 A HA 0.622 4.942 4.320 -0.001 0.000 0.243 58 A C -0.255 177.288 177.584 -0.068 0.000 1.076 58 A CA -0.105 51.899 52.037 -0.055 0.000 0.773 58 A CB 0.472 19.431 19.000 -0.068 0.000 1.010 58 A HN 0.801 nan 8.150 nan 0.000 0.493 59 V N 3.453 123.322 119.914 -0.075 0.000 2.409 59 V HA 0.379 4.498 4.120 -0.001 0.000 0.290 59 V C -0.591 175.468 176.094 -0.058 0.000 1.017 59 V CA -0.424 61.839 62.300 -0.062 0.000 0.841 59 V CB 1.433 33.219 31.823 -0.061 0.000 1.003 59 V HN 0.608 nan 8.190 nan 0.000 0.426 60 V N 4.118 124.004 119.914 -0.048 0.000 2.325 60 V HA 0.912 5.032 4.120 -0.001 0.000 0.280 60 V C 0.158 176.250 176.094 -0.002 0.000 1.016 60 V CA -0.142 62.131 62.300 -0.046 0.000 0.818 60 V CB 1.095 32.875 31.823 -0.073 0.000 1.019 60 V HN 1.044 nan 8.190 nan 0.000 0.434 61 A N 6.462 129.301 122.820 0.032 0.000 2.594 61 A HA 0.915 5.235 4.320 -0.001 0.000 0.296 61 A C -3.142 174.506 177.584 0.106 0.000 1.061 61 A CA -1.111 50.962 52.037 0.061 0.000 0.689 61 A CB 1.809 20.844 19.000 0.058 0.000 1.280 61 A HN 0.495 nan 8.150 nan 0.000 0.406 62 P HA 0.180 nan 4.420 nan 0.000 0.272 62 P C -0.560 176.814 177.300 0.124 0.000 1.240 62 P CA -0.343 62.837 63.100 0.133 0.000 0.791 62 P CB 0.318 32.081 31.700 0.106 0.000 0.978 63 N N 0.243 119.021 118.700 0.131 0.000 2.357 63 N HA 0.209 4.948 4.740 -0.001 0.000 0.257 63 N C 0.158 175.736 175.510 0.112 0.000 1.250 63 N CA 0.594 53.720 53.050 0.127 0.000 0.862 63 N CB -0.264 38.302 38.487 0.132 0.000 1.066 63 N HN 0.535 nan 8.380 nan 0.000 0.468 64 S N -0.691 115.079 115.700 0.117 0.000 2.578 64 S HA 0.596 5.065 4.470 -0.001 0.000 0.272 64 S C 0.537 175.199 174.600 0.103 0.000 1.145 64 S CA -0.383 57.876 58.200 0.099 0.000 0.835 64 S CB 0.658 63.905 63.200 0.078 0.000 1.104 64 S HN 0.415 nan 8.310 nan 0.000 0.458 65 A N 1.270 124.143 122.820 0.089 0.000 1.917 65 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 65 A C 1.626 179.246 177.584 0.059 0.000 1.182 65 A CA 2.259 54.341 52.037 0.076 0.000 0.633 65 A CB -1.210 17.823 19.000 0.055 0.000 0.819 65 A HN 0.870 nan 8.150 nan 0.000 0.448 66 D N -0.763 119.672 120.400 0.060 0.000 2.178 66 D HA -0.088 4.552 4.640 -0.001 0.000 0.202 66 D C 1.920 178.255 176.300 0.058 0.000 0.974 66 D CA 1.307 55.342 54.000 0.058 0.000 0.841 66 D CB -0.394 40.445 40.800 0.065 0.000 0.953 66 D HN 0.246 nan 8.370 nan 0.000 0.478 67 V N 0.394 120.345 119.914 0.062 0.000 2.591 67 V HA -0.145 3.974 4.120 -0.001 0.000 0.249 67 V C 2.336 178.463 176.094 0.055 0.000 1.053 67 V CA 0.817 63.151 62.300 0.058 0.000 1.068 67 V CB 0.071 31.932 31.823 0.065 0.000 0.689 67 V HN -0.031 nan 8.190 nan 0.000 0.462 68 V N 0.300 120.245 119.914 0.051 0.000 2.261 68 V HA -0.271 3.849 4.120 -0.001 0.000 0.246 68 V C 2.274 178.395 176.094 0.046 0.000 1.047 68 V CA 2.632 64.951 62.300 0.033 0.000 1.015 68 V CB -0.523 31.286 31.823 -0.024 0.000 0.642 68 V HN 0.492 nan 8.190 nan 0.000 0.446 69 I N 0.402 120.996 120.570 0.040 0.000 2.151 69 I HA -0.318 3.851 4.170 -0.001 0.000 0.243 69 I C 2.654 178.804 176.117 0.054 0.000 1.080 69 I CA 1.778 63.103 61.300 0.042 0.000 1.339 69 I CB -0.602 37.420 38.000 0.036 0.000 1.039 69 I HN 0.316 nan 8.210 nan 0.000 0.409 70 A N 0.856 123.708 122.820 0.052 0.000 1.877 70 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 70 A C 2.286 179.904 177.584 0.057 0.000 1.186 70 A CA 1.552 53.617 52.037 0.046 0.000 0.620 70 A CB -0.852 18.169 19.000 0.037 0.000 0.822 70 A HN 0.377 nan 8.150 nan 0.000 0.443 71 I N -0.223 120.388 120.570 0.068 0.000 2.179 71 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 71 I C 2.350 178.579 176.117 0.188 0.000 1.088 71 I CA 1.212 62.566 61.300 0.090 0.000 1.357 71 I CB -0.310 37.724 38.000 0.057 0.000 1.051 71 I HN 0.287 nan 8.210 nan 0.000 0.409 72 L N 0.204 121.545 121.223 0.196 0.000 2.093 72 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 72 L C 2.851 179.835 176.870 0.189 0.000 1.085 72 L CA 1.049 56.035 54.840 0.244 0.000 0.755 72 L CB -0.768 41.392 42.059 0.169 0.000 0.904 72 L HN 0.232 nan 8.230 nan 0.000 0.435 73 A N 0.541 123.429 122.820 0.114 0.000 1.883 73 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 73 A C 2.266 179.886 177.584 0.060 0.000 1.186 73 A CA 1.508 53.587 52.037 0.070 0.000 0.624 73 A CB -0.788 18.239 19.000 0.045 0.000 0.822 73 A HN 0.334 nan 8.150 nan 0.000 0.444 74 L N -1.515 119.746 121.223 0.063 0.000 2.042 74 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 74 L C 2.684 179.571 176.870 0.029 0.000 1.076 74 L CA 1.930 56.789 54.840 0.031 0.000 0.749 74 L CB -0.597 41.471 42.059 0.014 0.000 0.893 74 L HN 0.690 nan 8.230 nan 0.000 0.432 75 H N 0.092 119.155 119.070 -0.012 0.000 2.357 75 H HA -0.182 4.373 4.556 -0.001 0.000 0.301 75 H C 2.288 177.613 175.328 -0.006 0.000 1.082 75 H CA 1.715 57.731 56.048 -0.053 0.000 1.342 75 H CB 0.082 29.901 29.762 0.096 0.000 1.389 75 H HN 0.048 nan 8.280 nan 0.000 0.511 76 R N 0.563 121.028 120.500 -0.059 0.000 2.096 76 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 76 R C 2.355 178.589 176.300 -0.110 0.000 1.127 76 R CA 1.652 57.691 56.100 -0.103 0.000 0.968 76 R CB -1.085 29.218 30.300 0.006 0.000 0.861 76 R HN 0.539 nan 8.270 nan 0.000 0.440 77 L N -1.505 119.681 121.223 -0.062 0.000 2.046 77 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 77 L C 1.352 178.190 176.870 -0.054 0.000 1.077 77 L CA 2.030 56.853 54.840 -0.028 0.000 0.747 77 L CB -0.193 41.876 42.059 0.017 0.000 0.896 77 L HN 0.616 nan 8.230 nan 0.000 0.432 78 G N -2.248 106.485 108.800 -0.112 0.000 2.367 78 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.181 78 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.181 78 G C 0.374 175.212 174.900 -0.103 0.000 1.000 78 G CA -0.035 44.993 45.100 -0.120 0.000 0.693 78 G HN 0.696 nan 8.290 nan 0.000 0.480 79 A N -0.068 122.702 122.820 -0.083 0.000 2.429 79 A HA 0.618 4.937 4.320 -0.001 0.000 0.242 79 A C 0.431 177.938 177.584 -0.128 0.000 1.088 79 A CA 0.658 52.646 52.037 -0.082 0.000 0.784 79 A CB 0.736 19.700 19.000 -0.059 0.000 1.038 79 A HN 1.075 nan 8.150 nan 0.000 0.501 80 V N 3.174 123.013 119.914 -0.126 0.000 2.293 80 V HA 0.282 4.402 4.120 -0.001 0.000 0.275 80 V C -2.362 173.642 176.094 -0.151 0.000 1.021 80 V CA -1.394 60.798 62.300 -0.180 0.000 0.815 80 V CB 1.053 32.801 31.823 -0.124 0.000 1.025 80 V HN 0.713 nan 8.190 nan 0.000 0.448 81 P HA 0.242 nan 4.420 nan 0.000 0.267 81 P C -0.532 176.687 177.300 -0.136 0.000 1.205 81 P CA 0.132 63.158 63.100 -0.124 0.000 0.765 81 P CB 0.749 32.398 31.700 -0.085 0.000 0.828 82 A N 5.053 127.818 122.820 -0.092 0.000 2.316 82 A HA 0.434 4.754 4.320 -0.001 0.000 0.324 82 A C -0.274 177.279 177.584 -0.051 0.000 1.375 82 A CA -0.673 51.352 52.037 -0.021 0.000 0.882 82 A CB -0.236 18.836 19.000 0.119 0.000 1.152 82 A HN 0.472 nan 8.150 nan 0.000 0.512 83 L N 3.303 124.408 121.223 -0.198 0.000 2.281 83 L HA 0.435 4.774 4.340 -0.001 0.000 0.285 83 L C -0.594 176.266 176.870 -0.017 0.000 1.074 83 L CA -0.058 54.673 54.840 -0.181 0.000 0.817 83 L CB 0.623 42.437 42.059 -0.407 0.000 1.168 83 L HN 0.558 nan 8.230 nan 0.000 0.434 84 L N 3.493 124.662 121.223 -0.089 0.000 2.362 84 L HA 0.376 4.716 4.340 -0.001 0.000 0.275 84 L C 0.170 176.866 176.870 -0.291 0.000 0.998 84 L CA -0.663 54.035 54.840 -0.238 0.000 0.820 84 L CB 1.966 43.809 42.059 -0.361 0.000 1.270 84 L HN 0.515 nan 8.230 nan 0.000 0.415 85 N N 4.892 123.255 118.700 -0.562 0.000 2.411 85 N HA 0.023 4.762 4.740 -0.001 0.000 0.265 85 N C -1.660 173.590 175.510 -0.432 0.000 1.266 85 N CA -1.186 51.281 53.050 -0.971 0.000 0.889 85 N CB 1.098 38.965 38.487 -1.032 0.000 1.069 85 N HN 0.336 nan 8.380 nan 0.000 0.476 86 P HA -0.064 nan 4.420 nan 0.000 0.226 86 P C 0.733 177.976 177.300 -0.095 0.000 1.153 86 P CA 0.748 63.779 63.100 -0.115 0.000 0.777 86 P CB 0.422 32.110 31.700 -0.020 0.000 0.794 87 R N -0.581 119.850 120.500 -0.115 0.000 2.307 87 R HA 0.174 4.513 4.340 -0.001 0.000 0.199 87 R C 1.118 177.370 176.300 -0.080 0.000 1.000 87 R CA -0.184 55.877 56.100 -0.065 0.000 1.023 87 R CB -0.782 29.502 30.300 -0.028 0.000 0.908 87 R HN 0.329 nan 8.270 nan 0.000 0.473 88 L N 1.831 122.980 121.223 -0.124 0.000 2.483 88 L HA -0.012 4.328 4.340 -0.001 0.000 0.275 88 L C 0.872 177.695 176.870 -0.077 0.000 1.220 88 L CA 0.268 55.043 54.840 -0.108 0.000 0.833 88 L CB 0.334 42.304 42.059 -0.149 0.000 1.102 88 L HN -0.210 nan 8.230 nan 0.000 0.490 89 K N 1.429 121.792 120.400 -0.061 0.000 2.382 89 K HA 0.039 4.358 4.320 -0.001 0.000 0.275 89 K C 1.147 177.717 176.600 -0.051 0.000 1.009 89 K CA 0.061 56.321 56.287 -0.046 0.000 0.970 89 K CB 1.050 33.529 32.500 -0.035 0.000 0.934 89 K HN 0.617 nan 8.250 nan 0.000 0.479 90 S N 2.231 117.907 115.700 -0.039 0.000 2.378 90 S HA -0.288 4.181 4.470 -0.001 0.000 0.229 90 S C 1.862 176.437 174.600 -0.041 0.000 1.052 90 S CA 2.014 60.191 58.200 -0.038 0.000 1.084 90 S CB -0.158 63.028 63.200 -0.024 0.000 0.950 90 S HN 0.775 nan 8.310 nan 0.000 0.440 91 A N 1.030 123.830 122.820 -0.034 0.000 1.933 91 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 91 A C 1.978 179.537 177.584 -0.041 0.000 1.175 91 A CA 1.658 53.676 52.037 -0.032 0.000 0.628 91 A CB -0.532 18.454 19.000 -0.024 0.000 0.814 91 A HN 0.640 nan 8.150 nan 0.000 0.444 92 E N -0.151 120.019 120.200 -0.050 0.000 2.072 92 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 92 E C 1.925 178.473 176.600 -0.088 0.000 0.985 92 E CA 1.092 57.455 56.400 -0.061 0.000 0.801 92 E CB -0.308 29.353 29.700 -0.064 0.000 0.750 92 E HN 0.621 nan 8.360 nan 0.000 0.452 93 L N 0.785 121.947 121.223 -0.102 0.000 2.083 93 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 93 L C 2.588 179.396 176.870 -0.104 0.000 1.083 93 L CA 1.052 55.813 54.840 -0.131 0.000 0.752 93 L CB -0.441 41.545 42.059 -0.122 0.000 0.899 93 L HN 0.145 nan 8.230 nan 0.000 0.433 94 A N -0.324 122.453 122.820 -0.072 0.000 1.898 94 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 94 A C 2.207 179.763 177.584 -0.046 0.000 1.181 94 A CA 1.723 53.727 52.037 -0.055 0.000 0.620 94 A CB -0.406 18.569 19.000 -0.041 0.000 0.819 94 A HN 0.342 nan 8.150 nan 0.000 0.442 95 E N 0.175 120.350 120.200 -0.042 0.000 2.072 95 E HA -0.092 4.258 4.350 -0.001 0.000 0.191 95 E C 1.801 178.390 176.600 -0.018 0.000 0.985 95 E CA 1.091 57.476 56.400 -0.026 0.000 0.801 95 E CB -0.375 29.312 29.700 -0.021 0.000 0.750 95 E HN 0.599 nan 8.360 nan 0.000 0.452 96 L N -0.186 121.013 121.223 -0.039 0.000 2.141 96 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 96 L C 2.256 179.126 176.870 0.001 0.000 1.094 96 L CA 0.677 55.507 54.840 -0.017 0.000 0.763 96 L CB -0.242 41.745 42.059 -0.119 0.000 0.908 96 L HN 0.178 nan 8.230 nan 0.000 0.437 97 I N -0.373 120.174 120.570 -0.038 0.000 2.439 97 I HA -0.242 3.928 4.170 -0.001 0.000 0.251 97 I C 2.639 178.751 176.117 -0.008 0.000 1.139 97 I CA 1.035 62.320 61.300 -0.025 0.000 1.438 97 I CB -0.186 37.782 38.000 -0.053 0.000 1.085 97 I HN 0.208 nan 8.210 nan 0.000 0.427 98 K N 1.106 121.500 120.400 -0.011 0.000 2.025 98 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 98 K C 2.339 178.945 176.600 0.010 0.000 1.049 98 K CA 1.263 57.547 56.287 -0.004 0.000 0.933 98 K CB 0.017 32.513 32.500 -0.008 0.000 0.714 98 K HN -0.066 nan 8.250 nan 0.000 0.438 99 R N -0.136 120.377 120.500 0.021 0.000 2.117 99 R HA -0.103 4.236 4.340 -0.001 0.000 0.243 99 R C 1.890 178.219 176.300 0.048 0.000 1.143 99 R CA 1.852 57.974 56.100 0.037 0.000 0.968 99 R CB -0.606 29.727 30.300 0.055 0.000 0.863 99 R HN 0.438 nan 8.270 nan 0.000 0.444 100 G N -0.860 107.975 108.800 0.058 0.000 3.189 100 G HA2 0.012 3.971 3.960 -0.001 0.000 0.225 100 G HA3 0.012 3.971 3.960 -0.001 0.000 0.225 100 G C -0.776 174.144 174.900 0.033 0.000 1.159 100 G CA -0.129 45.008 45.100 0.062 0.000 0.763 100 G HN 0.389 nan 8.290 nan 0.000 0.549 101 E N 0.691 120.902 120.200 0.018 0.000 2.183 101 E HA -0.182 4.168 4.350 -0.001 0.000 0.196 101 E C 0.191 176.790 176.600 -0.003 0.000 1.364 101 E CA 0.232 56.634 56.400 0.004 0.000 0.700 101 E CB -1.173 28.529 29.700 0.003 0.000 1.106 101 E HN 0.352 nan 8.360 nan 0.000 0.347 102 M N 0.047 119.644 119.600 -0.005 0.000 2.233 102 M HA 0.072 4.551 4.480 -0.001 0.000 0.350 102 M C 1.716 177.999 176.300 -0.028 0.000 1.176 102 M CA 0.399 55.690 55.300 -0.015 0.000 1.150 102 M CB 0.339 32.928 32.600 -0.019 0.000 1.530 102 M HN -0.006 nan 8.290 nan 0.000 0.459 103 T N 1.110 115.644 114.554 -0.033 0.000 2.809 103 T HA 0.221 4.570 4.350 -0.001 0.000 0.260 103 T C 0.810 175.480 174.700 -0.048 0.000 1.039 103 T CA 1.131 63.207 62.100 -0.040 0.000 1.141 103 T CB 0.146 68.989 68.868 -0.042 0.000 0.869 103 T HN 0.808 nan 8.240 nan 0.000 0.437 104 A N 0.025 122.813 122.820 -0.054 0.000 2.569 104 A HA 0.861 5.181 4.320 -0.001 0.000 0.290 104 A C -1.642 175.899 177.584 -0.073 0.000 1.136 104 A CA -0.603 51.393 52.037 -0.068 0.000 0.710 104 A CB 1.334 20.292 19.000 -0.070 0.000 1.303 104 A HN 0.439 nan 8.150 nan 0.000 0.413 105 A N 0.230 122.994 122.820 -0.094 0.000 2.375 105 A HA 0.618 4.937 4.320 -0.001 0.000 0.295 105 A C -1.089 176.429 177.584 -0.111 0.000 1.066 105 A CA -0.373 51.608 52.037 -0.094 0.000 0.722 105 A CB 1.069 20.012 19.000 -0.096 0.000 1.206 105 A HN 1.295 nan 8.150 nan 0.000 0.435 106 V N 4.145 124.009 119.914 -0.083 0.000 2.385 106 V HA 0.371 4.490 4.120 -0.001 0.000 0.269 106 V C -0.094 175.971 176.094 -0.049 0.000 1.043 106 V CA 0.221 62.480 62.300 -0.069 0.000 0.906 106 V CB 0.430 32.230 31.823 -0.039 0.000 0.995 106 V HN 0.712 nan 8.190 nan 0.000 0.467 107 I N 3.688 124.233 120.570 -0.042 0.000 2.545 107 I HA 0.685 4.854 4.170 -0.001 0.000 0.292 107 I C 0.295 176.459 176.117 0.078 0.000 1.040 107 I CA -0.481 60.820 61.300 0.001 0.000 1.068 107 I CB 2.166 40.153 38.000 -0.022 0.000 1.251 107 I HN 0.607 nan 8.210 nan 0.000 0.424 108 A N 5.822 128.684 122.820 0.070 0.000 2.806 108 A HA 0.618 4.938 4.320 -0.001 0.000 0.266 108 A C -0.382 177.241 177.584 0.066 0.000 0.926 108 A CA -0.190 51.898 52.037 0.086 0.000 1.068 108 A CB 0.036 19.080 19.000 0.073 0.000 1.189 108 A HN 0.381 nan 8.150 nan 0.000 0.481 109 V N -0.945 119.008 119.914 0.064 0.000 3.420 109 V HA 0.759 4.878 4.120 -0.001 0.000 0.295 109 V C 1.515 177.641 176.094 0.053 0.000 1.201 109 V CA -0.205 62.122 62.300 0.045 0.000 0.995 109 V CB 0.807 32.643 31.823 0.022 0.000 1.244 109 V HN 0.523 nan 8.190 nan 0.000 0.466 110 G N -0.751 108.070 108.800 0.035 0.000 2.683 110 G HA2 0.388 4.348 3.960 -0.001 0.000 0.260 110 G HA3 0.388 4.348 3.960 -0.001 0.000 0.260 110 G C 0.949 175.879 174.900 0.050 0.000 1.238 110 G CA 0.320 45.439 45.100 0.031 0.000 0.934 110 G HN 0.961 nan 8.290 nan 0.000 0.534 111 R N -1.241 119.282 120.500 0.037 0.000 2.189 111 R HA 0.175 4.514 4.340 -0.001 0.000 0.218 111 R C 2.777 179.106 176.300 0.048 0.000 1.074 111 R CA 2.084 58.218 56.100 0.056 0.000 0.991 111 R CB -1.664 28.650 30.300 0.024 0.000 0.883 111 R HN 0.916 nan 8.270 nan 0.000 0.457 112 Q N 0.042 119.859 119.800 0.027 0.000 2.119 112 Q HA 0.049 4.388 4.340 -0.001 0.000 0.201 112 Q C 2.540 178.548 176.000 0.013 0.000 0.972 112 Q CA 1.645 57.458 55.803 0.016 0.000 0.847 112 Q CB -0.849 27.893 28.738 0.007 0.000 0.903 112 Q HN 0.479 nan 8.270 nan 0.000 0.433 113 V N 0.735 120.658 119.914 0.015 0.000 2.343 113 V HA -0.191 3.928 4.120 -0.001 0.000 0.247 113 V C 2.842 178.940 176.094 0.006 0.000 1.051 113 V CA 1.778 64.079 62.300 0.002 0.000 1.036 113 V CB -0.987 30.834 31.823 -0.002 0.000 0.654 113 V HN 0.757 nan 8.190 nan 0.000 0.451 114 A N -0.267 122.577 122.820 0.040 0.000 1.902 114 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 114 A C 1.983 179.583 177.584 0.027 0.000 1.181 114 A CA 2.023 54.087 52.037 0.046 0.000 0.623 114 A CB -0.589 18.511 19.000 0.166 0.000 0.818 114 A HN 0.534 nan 8.150 nan 0.000 0.443 115 D N 0.059 120.479 120.400 0.034 0.000 2.097 115 D HA -0.032 4.608 4.640 -0.001 0.000 0.195 115 D C 2.291 178.592 176.300 0.002 0.000 0.989 115 D CA 1.531 55.543 54.000 0.019 0.000 0.827 115 D CB -0.488 40.323 40.800 0.019 0.000 0.966 115 D HN 0.395 nan 8.370 nan 0.000 0.456 116 A N 0.766 123.584 122.820 -0.003 0.000 1.865 116 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 116 A C 2.237 179.809 177.584 -0.020 0.000 1.191 116 A CA 1.308 53.338 52.037 -0.013 0.000 0.623 116 A CB -0.738 18.251 19.000 -0.017 0.000 0.826 116 A HN 0.258 nan 8.150 nan 0.000 0.444 117 I N -0.902 119.652 120.570 -0.027 0.000 2.546 117 I HA -0.063 4.107 4.170 -0.001 0.000 0.255 117 I C 2.468 178.565 176.117 -0.033 0.000 1.163 117 I CA 1.654 62.932 61.300 -0.036 0.000 1.457 117 I CB -0.559 37.411 38.000 -0.051 0.000 1.092 117 I HN 0.336 nan 8.210 nan 0.000 0.434 118 F N 0.025 119.959 119.950 -0.027 0.000 2.234 118 F HA 0.074 4.600 4.527 -0.001 0.000 0.299 118 F C 2.147 177.937 175.800 -0.017 0.000 1.087 118 F CA 1.457 59.444 58.000 -0.023 0.000 1.340 118 F CB -1.570 37.423 39.000 -0.011 0.000 1.031 118 F HN 0.380 nan 8.300 nan 0.000 0.500 119 Q N 0.277 120.069 119.800 -0.013 0.000 2.404 119 Q HA 0.478 4.818 4.340 -0.001 0.000 0.368 119 Q C 0.774 176.766 176.000 -0.013 0.000 0.939 119 Q CA 0.390 56.186 55.803 -0.011 0.000 1.099 119 Q CB -0.640 28.094 28.738 -0.007 0.000 1.284 119 Q HN 1.041 nan 8.270 nan 0.000 0.421 120 S N -2.408 113.282 115.700 -0.017 0.000 2.578 120 S HA 0.475 4.945 4.470 -0.001 0.000 0.228 120 S C 1.412 176.003 174.600 -0.015 0.000 1.022 120 S CA 0.455 58.645 58.200 -0.017 0.000 0.967 120 S CB 0.188 63.374 63.200 -0.022 0.000 0.914 120 S HN 1.970 nan 8.310 nan 0.000 0.515 121 G N 1.365 110.156 108.800 -0.015 0.000 2.368 121 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.290 121 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.290 121 G C 0.387 175.278 174.900 -0.015 0.000 1.098 121 G CA 0.535 45.627 45.100 -0.014 0.000 1.073 121 G HN 0.790 nan 8.290 nan 0.000 0.511 122 S N -0.332 115.356 115.700 -0.020 0.000 2.620 122 S HA 0.499 4.968 4.470 -0.001 0.000 0.234 122 S C 1.768 176.354 174.600 -0.023 0.000 1.064 122 S CA 1.526 59.713 58.200 -0.022 0.000 0.920 122 S CB -0.065 63.118 63.200 -0.028 0.000 0.826 122 S HN 2.455 nan 8.310 nan 0.000 0.557 123 G N 1.199 109.983 108.800 -0.027 0.000 2.689 123 G HA2 0.259 4.218 3.960 -0.001 0.000 0.273 123 G HA3 0.259 4.218 3.960 -0.001 0.000 0.273 123 G C -0.230 174.649 174.900 -0.036 0.000 1.062 123 G CA 0.038 45.121 45.100 -0.029 0.000 1.279 123 G HN 1.344 nan 8.290 nan 0.000 0.547 124 A N 2.754 125.546 122.820 -0.046 0.000 2.476 124 A HA 0.750 5.070 4.320 -0.001 0.000 0.280 124 A C 0.373 177.911 177.584 -0.077 0.000 1.081 124 A CA -0.656 51.346 52.037 -0.058 0.000 0.753 124 A CB 0.935 19.900 19.000 -0.059 0.000 1.248 124 A HN 0.650 nan 8.150 nan 0.000 0.424 125 R N 2.366 122.819 120.500 -0.078 0.000 2.483 125 R HA 0.047 4.387 4.340 -0.001 0.000 0.329 125 R C -0.203 176.007 176.300 -0.149 0.000 0.961 125 R CA 0.046 56.087 56.100 -0.098 0.000 1.041 125 R CB 0.075 30.327 30.300 -0.080 0.000 0.930 125 R HN 0.551 nan 8.270 nan 0.000 0.413 126 I N 6.296 126.745 120.570 -0.202 0.000 2.578 126 I HA 0.013 4.182 4.170 -0.001 0.000 0.286 126 I C 0.742 176.575 176.117 -0.474 0.000 1.126 126 I CA 0.241 61.334 61.300 -0.345 0.000 1.380 126 I CB -0.256 37.496 38.000 -0.413 0.000 1.408 126 I HN 0.426 nan 8.210 nan 0.000 0.532 127 I N 7.379 127.713 120.570 -0.393 0.000 2.354 127 I HA 0.273 4.442 4.170 -0.001 0.000 0.286 127 I C -0.101 175.818 176.117 -0.330 0.000 1.007 127 I CA -0.576 60.531 61.300 -0.322 0.000 1.167 127 I CB 0.626 38.538 38.000 -0.146 0.000 1.320 127 I HN 0.221 nan 8.210 nan 0.000 0.458 128 F N 5.328 125.258 119.950 -0.034 0.000 2.484 128 F HA 0.058 4.584 4.527 -0.000 0.000 0.360 128 F C 1.201 176.983 175.800 -0.030 0.000 1.101 128 F CA -0.506 57.475 58.000 -0.032 0.000 1.251 128 F CB 0.547 39.524 39.000 -0.038 0.000 1.132 128 F HN 0.444 nan 8.300 nan 0.000 0.570 129 L N 3.383 124.700 121.223 0.156 0.000 2.079 129 L HA -0.061 4.278 4.340 -0.001 0.000 0.210 129 L C 2.244 179.172 176.870 0.096 0.000 1.081 129 L CA 2.047 56.944 54.840 0.094 0.000 0.752 129 L CB -1.044 41.063 42.059 0.081 0.000 0.896 129 L HN 0.799 nan 8.230 nan 0.000 0.433 130 G N -1.791 107.070 108.800 0.103 0.000 2.598 130 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.215 130 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.215 130 G C 1.144 176.041 174.900 -0.006 0.000 1.131 130 G CA 0.637 45.785 45.100 0.080 0.000 0.785 130 G HN 0.384 nan 8.290 nan 0.000 0.539 131 D N 0.350 120.731 120.400 -0.032 0.000 2.162 131 D HA 0.011 4.651 4.640 -0.001 0.000 0.203 131 D C 2.562 178.752 176.300 -0.184 0.000 0.967 131 D CA 0.343 54.220 54.000 -0.205 0.000 0.840 131 D CB 0.085 40.865 40.800 -0.032 0.000 0.972 131 D HN 0.302 nan 8.370 nan 0.000 0.482 132 L N -0.363 120.863 121.223 0.004 0.000 2.102 132 L HA 0.095 4.435 4.340 -0.001 0.000 0.202 132 L C 0.758 177.740 176.870 0.187 0.000 1.076 132 L CA 0.387 55.264 54.840 0.062 0.000 0.761 132 L CB 0.519 42.599 42.059 0.035 0.000 0.921 132 L HN -0.137 nan 8.230 nan 0.000 0.444 133 V N -0.648 119.385 119.914 0.198 0.000 2.924 133 V HA 0.727 4.847 4.120 -0.001 0.000 0.300 133 V C -1.304 174.895 176.094 0.175 0.000 1.227 133 V CA -0.424 61.990 62.300 0.190 0.000 0.954 133 V CB 1.837 33.718 31.823 0.095 0.000 1.055 133 V HN 0.118 nan 8.190 nan 0.000 0.429 134 R N 2.911 123.508 120.500 0.161 0.000 2.538 134 R HA 0.689 5.028 4.340 -0.001 0.000 0.292 134 R C -0.065 176.267 176.300 0.054 0.000 1.008 134 R CA 0.175 56.349 56.100 0.124 0.000 0.896 134 R CB 0.979 31.393 30.300 0.191 0.000 1.187 134 R HN 1.076 nan 8.270 nan 0.000 0.440 135 D N 1.462 121.888 120.400 0.044 0.000 2.708 135 D HA -0.192 4.447 4.640 -0.001 0.000 0.236 135 D C 1.325 177.631 176.300 0.009 0.000 1.146 135 D CA 2.977 56.990 54.000 0.023 0.000 0.662 135 D CB -1.177 39.632 40.800 0.013 0.000 1.059 135 D HN 1.958 nan 8.370 nan 0.000 0.428 136 G N -1.398 107.412 108.800 0.017 0.000 2.328 136 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.256 136 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.256 136 G C 0.374 175.269 174.900 -0.009 0.000 1.014 136 G CA 1.255 46.359 45.100 0.006 0.000 0.620 136 G HN 1.084 nan 8.290 nan 0.000 0.530 137 E N 2.723 122.906 120.200 -0.027 0.000 2.105 137 E HA 0.628 4.977 4.350 -0.001 0.000 0.285 137 E C -1.793 174.748 176.600 -0.097 0.000 1.055 137 E CA -1.126 55.230 56.400 -0.073 0.000 0.843 137 E CB 0.479 30.114 29.700 -0.107 0.000 1.067 137 E HN 0.505 nan 8.360 nan 0.000 0.398 138 P HA 0.319 nan 4.420 nan 0.000 0.279 138 P C -1.107 176.121 177.300 -0.119 0.000 1.252 138 P CA -0.575 62.505 63.100 -0.032 0.000 0.811 138 P CB 0.544 32.238 31.700 -0.010 0.000 1.035 139 Y N -0.070 120.213 120.300 -0.030 0.000 2.367 139 Y HA 0.434 4.983 4.550 -0.001 0.000 0.342 139 Y C 1.105 176.936 175.900 -0.115 0.000 0.979 139 Y CA 0.266 58.344 58.100 -0.036 0.000 1.161 139 Y CB 1.194 39.645 38.460 -0.015 0.000 1.155 139 Y HN 0.234 nan 8.280 nan 0.000 0.503 140 S N 4.509 120.217 115.700 0.013 0.000 2.571 140 S HA 0.738 5.207 4.470 -0.001 0.000 0.284 140 S C -1.587 173.007 174.600 -0.009 0.000 1.128 140 S CA -0.567 57.579 58.200 -0.090 0.000 0.970 140 S CB 0.368 63.543 63.200 -0.042 0.000 1.039 140 S HN 0.499 nan 8.310 nan 0.000 0.485 141 Y N 1.170 121.509 120.300 0.064 0.000 2.588 141 Y HA 0.897 5.447 4.550 -0.001 0.000 0.343 141 Y C 0.142 176.069 175.900 0.044 0.000 1.065 141 Y CA -0.762 57.368 58.100 0.050 0.000 1.038 141 Y CB 0.623 39.114 38.460 0.051 0.000 1.297 141 Y HN 1.209 nan 8.280 nan 0.000 0.467 142 G N 1.165 110.137 108.800 0.287 0.000 2.663 142 G HA2 0.173 4.133 3.960 -0.001 0.000 0.686 142 G HA3 0.173 4.133 3.960 -0.001 0.000 0.686 142 G C -3.089 171.869 174.900 0.096 0.000 1.288 142 G CA -0.849 44.362 45.100 0.185 0.000 0.836 142 G HN 0.761 nan 8.290 nan 0.000 0.584 143 P HA 0.563 nan 4.420 nan 0.000 0.278 143 P C -2.538 174.763 177.300 0.003 0.000 1.258 143 P CA -1.279 61.839 63.100 0.029 0.000 0.811 143 P CB -0.227 31.485 31.700 0.020 0.000 1.063 144 P HA 0.107 nan 4.420 nan 0.000 0.264 144 P C 0.145 177.407 177.300 -0.064 0.000 1.183 144 P CA 0.423 63.506 63.100 -0.029 0.000 0.763 144 P CB -0.097 31.591 31.700 -0.020 0.000 0.807 145 I N 0.806 121.316 120.570 -0.100 0.000 3.062 145 I HA 0.424 4.594 4.170 -0.001 0.000 0.316 145 I C 0.564 176.592 176.117 -0.148 0.000 1.041 145 I CA -1.328 59.858 61.300 -0.191 0.000 1.069 145 I CB 0.323 38.121 38.000 -0.337 0.000 1.300 145 I HN 0.472 nan 8.210 nan 0.000 0.518 146 E N 1.012 121.106 120.200 -0.178 0.000 2.343 146 E HA 0.307 4.656 4.350 -0.001 0.000 0.269 146 E C -1.253 175.295 176.600 -0.086 0.000 1.047 146 E CA -0.328 56.009 56.400 -0.105 0.000 0.874 146 E CB 0.910 30.558 29.700 -0.087 0.000 1.033 146 E HN 0.738 nan 8.360 nan 0.000 0.409 147 D N 4.994 125.360 120.400 -0.058 0.000 2.347 147 D HA 0.236 4.876 4.640 -0.001 0.000 0.235 147 D C -2.133 174.141 176.300 -0.043 0.000 1.149 147 D CA -1.626 52.343 54.000 -0.051 0.000 0.850 147 D CB 0.877 41.655 40.800 -0.037 0.000 1.061 147 D HN 0.187 nan 8.370 nan 0.000 0.487 148 P HA 0.162 nan 4.420 nan 0.000 0.276 148 P C -0.677 176.603 177.300 -0.033 0.000 1.244 148 P CA -0.627 62.452 63.100 -0.035 0.000 0.801 148 P CB 0.751 32.429 31.700 -0.036 0.000 1.006 149 Q N 1.766 121.554 119.800 -0.021 0.000 2.337 149 Q HA 0.125 4.465 4.340 -0.001 0.000 0.270 149 Q C -0.498 175.493 176.000 -0.015 0.000 1.002 149 Q CA 0.663 56.458 55.803 -0.013 0.000 0.888 149 Q CB 0.370 29.103 28.738 -0.008 0.000 1.222 149 Q HN 0.261 nan 8.270 nan 0.000 0.400 150 R N 3.125 123.622 120.500 -0.006 0.000 2.534 150 R HA 0.386 4.725 4.340 -0.001 0.000 0.301 150 R C -0.797 175.511 176.300 0.014 0.000 0.961 150 R CA -0.851 55.252 56.100 0.004 0.000 0.871 150 R CB 1.510 31.820 30.300 0.017 0.000 1.170 150 R HN 0.597 nan 8.270 nan 0.000 0.446 151 E N 3.003 123.210 120.200 0.011 0.000 2.214 151 E HA 0.197 4.546 4.350 -0.001 0.000 0.274 151 E C -1.816 174.793 176.600 0.016 0.000 0.977 151 E CA -2.271 54.135 56.400 0.010 0.000 0.827 151 E CB 1.629 31.330 29.700 0.001 0.000 1.130 151 E HN 0.262 nan 8.360 nan 0.000 0.394 152 P HA -0.169 nan 4.420 nan 0.000 0.215 152 P C 0.801 178.104 177.300 0.004 0.000 1.157 152 P CA 1.790 64.897 63.100 0.012 0.000 0.874 152 P CB 0.251 31.952 31.700 0.002 0.000 0.790 153 A N -1.090 121.724 122.820 -0.009 0.000 2.206 153 A HA -0.082 4.237 4.320 -0.001 0.000 0.211 153 A C 1.377 178.952 177.584 -0.015 0.000 1.158 153 A CA 0.101 52.125 52.037 -0.021 0.000 0.761 153 A CB -1.051 17.929 19.000 -0.033 0.000 0.801 153 A HN 0.200 nan 8.150 nan 0.000 0.473 154 Q N 0.849 120.648 119.800 -0.001 0.000 2.364 154 Q HA 0.150 4.489 4.340 -0.001 0.000 0.267 154 Q C -2.507 173.500 176.000 0.011 0.000 0.999 154 Q CA -1.905 53.898 55.803 -0.000 0.000 0.886 154 Q CB 0.551 29.291 28.738 0.002 0.000 1.243 154 Q HN 0.132 nan 8.270 nan 0.000 0.415 155 P HA -0.033 nan 4.420 nan 0.000 0.265 155 P C -1.106 176.195 177.300 0.001 0.000 1.193 155 P CA 0.416 63.522 63.100 0.009 0.000 0.765 155 P CB 1.038 32.732 31.700 -0.011 0.000 0.823 156 A N 2.330 125.167 122.820 0.028 0.000 1.933 156 A HA 0.433 4.753 4.320 -0.001 0.000 0.198 156 A C -0.210 177.099 177.584 -0.459 0.000 1.617 156 A CA 0.677 52.657 52.037 -0.094 0.000 1.039 156 A CB 0.206 19.308 19.000 0.170 0.000 1.066 156 A HN 0.438 nan 8.150 nan 0.000 0.484 157 F N -0.989 119.029 119.950 0.114 0.000 2.631 157 F HA 0.637 5.164 4.527 -0.000 0.000 0.308 157 F C -0.763 175.049 175.800 0.021 0.000 1.097 157 F CA -0.666 57.343 58.000 0.015 0.000 0.952 157 F CB 1.814 40.874 39.000 0.101 0.000 1.307 157 F HN -0.090 nan 8.300 nan 0.000 0.450 158 I N 2.628 123.201 120.570 0.005 0.000 2.418 158 I HA 0.431 4.601 4.170 -0.001 0.000 0.287 158 I C -1.301 174.664 176.117 -0.253 0.000 1.008 158 I CA -0.418 60.851 61.300 -0.053 0.000 1.104 158 I CB 1.425 39.368 38.000 -0.095 0.000 1.264 158 I HN 0.372 nan 8.210 nan 0.000 0.438 159 F N 4.713 124.637 119.950 -0.043 0.000 2.546 159 F HA 0.528 5.054 4.527 -0.001 0.000 0.320 159 F C -0.487 175.243 175.800 -0.116 0.000 1.076 159 F CA -0.691 57.317 58.000 0.014 0.000 0.928 159 F CB 1.551 40.553 39.000 0.004 0.000 1.189 159 F HN 0.203 nan 8.300 nan 0.000 0.465 160 Y N 0.426 120.844 120.300 0.197 0.000 2.361 160 Y HA 0.529 5.079 4.550 -0.001 0.000 0.332 160 Y C 0.364 176.329 175.900 0.109 0.000 1.101 160 Y CA -0.662 57.510 58.100 0.120 0.000 1.137 160 Y CB 2.007 40.500 38.460 0.056 0.000 1.207 160 Y HN 0.441 nan 8.280 nan 0.000 0.463 161 T N 1.448 116.109 114.554 0.178 0.000 2.886 161 T HA 0.297 4.646 4.350 -0.001 0.000 0.292 161 T C -0.815 173.930 174.700 0.076 0.000 1.012 161 T CA -0.665 61.501 62.100 0.110 0.000 0.982 161 T CB 0.824 69.727 68.868 0.057 0.000 1.018 161 T HN 0.536 nan 8.240 nan 0.000 0.451 162 S N 3.441 119.187 115.700 0.076 0.000 2.494 162 S HA 0.501 4.971 4.470 -0.001 0.000 0.312 162 S C 0.896 175.511 174.600 0.025 0.000 1.121 162 S CA -0.369 57.861 58.200 0.050 0.000 1.068 162 S CB -0.608 62.627 63.200 0.059 0.000 1.141 162 S HN 0.882 nan 8.310 nan 0.000 0.527 163 G N 2.807 111.602 108.800 -0.008 0.000 2.553 163 G HA2 0.438 4.398 3.960 -0.001 0.000 0.278 163 G HA3 0.438 4.398 3.960 -0.001 0.000 0.278 163 G C 1.153 176.051 174.900 -0.003 0.000 1.349 163 G CA 0.171 45.257 45.100 -0.023 0.000 1.037 163 G HN 0.692 nan 8.290 nan 0.000 0.508 164 T N -1.715 112.837 114.554 -0.002 0.000 2.896 164 T HA 0.206 4.555 4.350 -0.001 0.000 0.263 164 T C 2.361 177.060 174.700 -0.001 0.000 1.050 164 T CA 2.850 64.953 62.100 0.005 0.000 1.140 164 T CB -1.160 67.714 68.868 0.010 0.000 0.877 164 T HN 0.824 nan 8.240 nan 0.000 0.457 165 T N -0.015 114.533 114.554 -0.010 0.000 2.520 165 T HA 0.408 4.758 4.350 -0.001 0.000 0.258 165 T C 1.775 176.470 174.700 -0.008 0.000 1.125 165 T CA 2.526 64.620 62.100 -0.010 0.000 1.206 165 T CB -0.692 68.166 68.868 -0.017 0.000 0.864 165 T HN 0.739 nan 8.240 nan 0.000 0.400 166 G N -0.850 107.944 108.800 -0.010 0.000 3.507 166 G HA2 0.454 4.413 3.960 -0.001 0.000 0.162 166 G HA3 0.454 4.413 3.960 -0.001 0.000 0.162 166 G C -0.849 174.049 174.900 -0.004 0.000 1.230 166 G CA -0.290 44.806 45.100 -0.007 0.000 1.412 166 G HN 0.488 nan 8.290 nan 0.000 0.723 167 L N 2.976 124.198 121.223 -0.002 0.000 2.525 167 L HA 0.205 4.545 4.340 -0.001 0.000 0.278 167 L C -1.817 175.067 176.870 0.023 0.000 1.218 167 L CA -1.002 53.843 54.840 0.007 0.000 0.878 167 L CB 0.478 42.544 42.059 0.011 0.000 1.127 167 L HN 0.192 nan 8.230 nan 0.000 0.492 168 P HA -0.001 nan 4.420 nan 0.000 0.264 168 P C -0.984 176.406 177.300 0.150 0.000 1.183 168 P CA 0.242 63.407 63.100 0.109 0.000 0.763 168 P CB 0.395 32.196 31.700 0.168 0.000 0.807 169 K N 1.831 122.249 120.400 0.029 0.000 2.174 169 K HA 0.548 4.868 4.320 -0.001 0.000 0.275 169 K C 0.050 176.628 176.600 -0.037 0.000 1.015 169 K CA -0.505 55.735 56.287 -0.078 0.000 0.933 169 K CB 0.900 33.110 32.500 -0.483 0.000 1.025 169 K HN 0.376 nan 8.250 nan 0.000 0.463 170 A N 2.213 124.979 122.820 -0.090 0.000 2.478 170 A HA 0.499 4.819 4.320 -0.001 0.000 0.327 170 A C -0.233 177.335 177.584 -0.027 0.000 1.431 170 A CA -0.629 51.128 52.037 -0.466 0.000 1.014 170 A CB 0.064 18.747 19.000 -0.528 0.000 1.143 170 A HN 0.718 nan 8.150 nan 0.000 0.532 171 A N 3.496 126.333 122.820 0.027 0.000 2.404 171 A HA 0.561 4.881 4.320 -0.001 0.000 0.273 171 A C 0.027 177.690 177.584 0.131 0.000 1.144 171 A CA -0.228 51.903 52.037 0.158 0.000 0.806 171 A CB -0.266 18.717 19.000 -0.028 0.000 1.080 171 A HN 0.756 nan 8.150 nan 0.000 0.509 172 I N 4.214 124.884 120.570 0.167 0.000 2.337 172 I HA 0.153 4.322 4.170 -0.001 0.000 0.291 172 I C -0.372 175.832 176.117 0.145 0.000 1.046 172 I CA -0.239 61.126 61.300 0.109 0.000 1.324 172 I CB 0.698 38.718 38.000 0.033 0.000 1.409 172 I HN 0.410 nan 8.210 nan 0.000 0.494 173 I N 9.187 129.878 120.570 0.203 0.000 2.307 173 I HA 0.317 4.487 4.170 -0.001 0.000 0.289 173 I C -2.016 174.214 176.117 0.188 0.000 1.021 173 I CA -2.497 58.930 61.300 0.211 0.000 1.224 173 I CB 0.586 38.801 38.000 0.357 0.000 1.376 173 I HN 0.253 nan 8.210 nan 0.000 0.470 174 P HA 0.134 nan 4.420 nan 0.000 0.274 174 P C 0.397 177.765 177.300 0.114 0.000 1.246 174 P CA -0.338 62.804 63.100 0.069 0.000 0.795 174 P CB 1.113 32.815 31.700 0.003 0.000 1.006 175 Q N 1.606 121.474 119.800 0.114 0.000 2.112 175 Q HA -0.203 4.137 4.340 -0.001 0.000 0.206 175 Q C 1.970 178.039 176.000 0.115 0.000 0.987 175 Q CA 1.984 57.881 55.803 0.156 0.000 0.858 175 Q CB -0.543 28.268 28.738 0.123 0.000 0.905 175 Q HN 0.624 nan 8.270 nan 0.000 0.420 176 R N -0.074 120.455 120.500 0.049 0.000 2.316 176 R HA 0.163 4.502 4.340 -0.001 0.000 0.202 176 R C 1.767 178.042 176.300 -0.042 0.000 1.029 176 R CA 0.933 57.038 56.100 0.009 0.000 1.018 176 R CB -0.207 30.087 30.300 -0.010 0.000 0.888 176 R HN 0.095 nan 8.270 nan 0.000 0.471 177 A N 1.165 123.951 122.820 -0.057 0.000 2.072 177 A HA 0.278 4.597 4.320 -0.001 0.000 0.216 177 A C 2.366 179.791 177.584 -0.264 0.000 1.156 177 A CA 0.666 52.597 52.037 -0.178 0.000 0.701 177 A CB -0.255 18.629 19.000 -0.194 0.000 0.816 177 A HN 0.453 nan 8.150 nan 0.000 0.458 178 A N 0.162 122.914 122.820 -0.113 0.000 1.883 178 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 178 A C 1.951 179.488 177.584 -0.079 0.000 1.186 178 A CA 1.687 53.693 52.037 -0.053 0.000 0.624 178 A CB -0.518 18.613 19.000 0.217 0.000 0.822 178 A HN 0.575 nan 8.150 nan 0.000 0.444 179 E N -0.010 120.151 120.200 -0.064 0.000 2.023 179 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 179 E C 2.451 178.958 176.600 -0.155 0.000 1.003 179 E CA 1.932 58.297 56.400 -0.058 0.000 0.809 179 E CB -0.207 29.481 29.700 -0.020 0.000 0.755 179 E HN 0.786 nan 8.360 nan 0.000 0.449 180 S N 0.370 115.837 115.700 -0.387 0.000 2.453 180 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 180 S C 1.793 176.169 174.600 -0.374 0.000 1.005 180 S CA 0.511 58.214 58.200 -0.829 0.000 0.949 180 S CB -0.183 62.130 63.200 -1.479 0.000 0.774 180 S HN 0.154 nan 8.310 nan 0.000 0.510 181 R N 0.281 120.605 120.500 -0.293 0.000 2.235 181 R HA 0.139 4.478 4.340 -0.001 0.000 0.213 181 R C 1.696 178.078 176.300 0.137 0.000 1.059 181 R CA 0.891 56.886 56.100 -0.174 0.000 0.997 181 R CB -0.259 29.625 30.300 -0.694 0.000 0.884 181 R HN 0.365 nan 8.270 nan 0.000 0.462 182 V N 0.365 120.307 119.914 0.047 0.000 2.521 182 V HA -0.061 4.059 4.120 -0.001 0.000 0.239 182 V C 1.907 177.981 176.094 -0.034 0.000 1.053 182 V CA 0.959 63.268 62.300 0.014 0.000 1.073 182 V CB -0.080 31.744 31.823 0.001 0.000 0.746 182 V HN 0.225 nan 8.190 nan 0.000 0.476 183 L N 0.528 121.791 121.223 0.067 0.000 2.465 183 L HA -0.106 4.234 4.340 -0.001 0.000 0.224 183 L C 2.347 179.365 176.870 0.247 0.000 1.145 183 L CA 1.180 56.108 54.840 0.147 0.000 0.834 183 L CB -0.555 41.674 42.059 0.282 0.000 0.944 183 L HN 0.581 nan 8.230 nan 0.000 0.451 184 F N -1.538 118.545 119.950 0.223 0.000 2.293 184 F HA -0.132 4.394 4.527 -0.001 0.000 0.300 184 F C 2.236 178.066 175.800 0.050 0.000 1.086 184 F CA 0.762 58.880 58.000 0.196 0.000 1.375 184 F CB -0.470 38.632 39.000 0.171 0.000 1.045 184 F HN -0.050 nan 8.300 nan 0.000 0.516 185 M N 0.425 119.479 119.600 -0.909 0.000 2.460 185 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 185 M C 2.340 178.448 176.300 -0.319 0.000 1.071 185 M CA 1.207 56.098 55.300 -0.683 0.000 1.096 185 M CB -1.262 30.982 32.600 -0.594 0.000 1.408 185 M HN 0.500 nan 8.290 nan 0.000 0.463 186 S N -0.009 115.570 115.700 -0.201 0.000 2.398 186 S HA -0.064 4.406 4.470 -0.001 0.000 0.220 186 S C 1.994 176.525 174.600 -0.115 0.000 1.046 186 S CA 1.594 59.716 58.200 -0.129 0.000 0.953 186 S CB -0.156 62.997 63.200 -0.079 0.000 0.856 186 S HN 0.586 nan 8.310 nan 0.000 0.506 187 T N -0.834 113.660 114.554 -0.100 0.000 2.857 187 T HA 0.053 4.403 4.350 -0.001 0.000 0.266 187 T C 1.805 176.416 174.700 -0.150 0.000 1.048 187 T CA 1.064 63.076 62.100 -0.148 0.000 1.139 187 T CB -0.346 68.392 68.868 -0.216 0.000 0.874 187 T HN 0.281 nan 8.240 nan 0.000 0.455 188 Q N 0.228 119.923 119.800 -0.175 0.000 2.200 188 Q HA 0.326 4.666 4.340 -0.001 0.000 0.197 188 Q C 2.435 178.347 176.000 -0.147 0.000 0.953 188 Q CA 0.725 56.280 55.803 -0.414 0.000 0.851 188 Q CB -0.022 28.416 28.738 -0.499 0.000 0.938 188 Q HN 0.427 nan 8.270 nan 0.000 0.488 189 V N -1.494 118.355 119.914 -0.108 0.000 2.992 189 V HA 0.238 4.357 4.120 -0.001 0.000 0.250 189 V C 1.171 177.248 176.094 -0.028 0.000 1.090 189 V CA 1.124 63.388 62.300 -0.060 0.000 1.101 189 V CB 0.241 31.971 31.823 -0.154 0.000 0.743 189 V HN 0.529 nan 8.190 nan 0.000 0.468 190 G N 0.332 109.084 108.800 -0.079 0.000 2.134 190 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.209 190 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.209 190 G C 0.037 174.883 174.900 -0.091 0.000 0.993 190 G CA -0.130 44.964 45.100 -0.009 0.000 0.669 190 G HN 0.368 nan 8.290 nan 0.000 0.519 191 L N 0.649 121.716 121.223 -0.260 0.000 2.461 191 L HA 0.529 4.869 4.340 -0.001 0.000 0.272 191 L C 1.310 178.137 176.870 -0.071 0.000 1.197 191 L CA -0.115 54.581 54.840 -0.239 0.000 0.836 191 L CB 0.486 42.378 42.059 -0.278 0.000 1.105 191 L HN 0.538 nan 8.230 nan 0.000 0.477 192 R N 0.684 121.199 120.500 0.024 0.000 2.888 192 R HA 0.424 4.764 4.340 -0.001 0.000 0.264 192 R C -0.461 175.909 176.300 0.116 0.000 1.045 192 R CA -0.990 55.157 56.100 0.079 0.000 0.962 192 R CB 1.302 31.663 30.300 0.102 0.000 1.210 192 R HN 0.543 nan 8.270 nan 0.000 0.479 193 H N -0.047 119.046 119.070 0.039 0.000 2.815 193 H HA 0.362 4.917 4.556 -0.001 0.000 0.350 193 H C -0.363 175.035 175.328 0.116 0.000 1.080 193 H CA 1.722 57.785 56.048 0.027 0.000 1.433 193 H CB 0.842 30.602 29.762 -0.003 0.000 1.432 193 H HN 0.899 nan 8.280 nan 0.000 0.592 194 G N 3.980 112.386 108.800 -0.656 0.000 2.343 194 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.298 194 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.298 194 G C 0.083 174.786 174.900 -0.328 0.000 1.644 194 G CA -0.746 44.187 45.100 -0.279 0.000 0.958 194 G HN 0.629 nan 8.290 nan 0.000 0.702 195 R N 0.226 120.567 120.500 -0.265 0.000 2.339 195 R HA -0.015 4.325 4.340 -0.001 0.000 0.199 195 R C 2.068 178.294 176.300 -0.123 0.000 1.018 195 R CA 0.971 56.818 56.100 -0.422 0.000 1.036 195 R CB -0.147 29.734 30.300 -0.698 0.000 0.899 195 R HN 0.779 nan 8.270 nan 0.000 0.473 196 H N -0.149 118.865 119.070 -0.094 0.000 2.457 196 H HA 0.030 4.585 4.556 -0.001 0.000 0.294 196 H C 0.083 175.424 175.328 0.021 0.000 1.064 196 H CA 0.297 56.339 56.048 -0.010 0.000 1.330 196 H CB -0.424 29.330 29.762 -0.012 0.000 1.395 196 H HN -0.054 nan 8.280 nan 0.000 0.541 197 N N 1.937 120.250 118.700 -0.645 0.000 2.417 197 N HA 0.040 4.779 4.740 -0.001 0.000 0.272 197 N C -0.871 174.575 175.510 -0.107 0.000 1.304 197 N CA 0.288 53.096 53.050 -0.404 0.000 0.906 197 N CB 1.188 39.440 38.487 -0.390 0.000 1.135 197 N HN 0.082 nan 8.380 nan 0.000 0.483 198 V N 3.512 123.397 119.914 -0.049 0.000 2.443 198 V HA 0.286 4.405 4.120 -0.001 0.000 0.293 198 V C 0.056 176.143 176.094 -0.012 0.000 1.021 198 V CA -0.776 61.519 62.300 -0.009 0.000 0.848 198 V CB 1.984 33.812 31.823 0.008 0.000 0.998 198 V HN 0.187 nan 8.190 nan 0.000 0.424 199 V N 6.072 125.974 119.914 -0.021 0.000 2.378 199 V HA 0.412 4.531 4.120 -0.001 0.000 0.288 199 V C -0.269 175.762 176.094 -0.106 0.000 1.016 199 V CA -0.632 61.658 62.300 -0.017 0.000 0.840 199 V CB 1.778 33.626 31.823 0.040 0.000 0.994 199 V HN 0.689 nan 8.190 nan 0.000 0.431 200 L N 4.832 126.009 121.223 -0.077 0.000 2.313 200 L HA 0.586 4.925 4.340 -0.001 0.000 0.282 200 L C 1.062 177.838 176.870 -0.156 0.000 1.092 200 L CA 0.570 55.330 54.840 -0.132 0.000 0.831 200 L CB 1.001 43.033 42.059 -0.044 0.000 1.159 200 L HN 0.705 nan 8.230 nan 0.000 0.442 201 G N 5.979 114.563 108.800 -0.361 0.000 3.343 201 G HA2 0.277 4.236 3.960 -0.001 0.000 0.264 201 G HA3 0.277 4.236 3.960 -0.001 0.000 0.264 201 G C 0.740 175.603 174.900 -0.063 0.000 0.884 201 G CA -0.305 44.644 45.100 -0.251 0.000 1.916 201 G HN 0.757 nan 8.290 nan 0.000 0.618 202 L N 0.376 121.585 121.223 -0.022 0.000 2.418 202 L HA 0.204 4.543 4.340 -0.001 0.000 0.218 202 L C 1.257 178.116 176.870 -0.018 0.000 1.125 202 L CA 0.312 55.120 54.840 -0.054 0.000 0.835 202 L CB -0.159 41.828 42.059 -0.119 0.000 0.953 202 L HN 0.311 nan 8.230 nan 0.000 0.454 203 M N 1.507 121.120 119.600 0.022 0.000 2.216 203 M HA 0.296 4.775 4.480 -0.001 0.000 0.356 203 M C -2.194 174.073 176.300 -0.055 0.000 1.205 203 M CA -2.507 52.777 55.300 -0.026 0.000 1.122 203 M CB 0.579 33.118 32.600 -0.102 0.000 1.571 203 M HN -0.254 nan 8.290 nan 0.000 0.464 204 P HA 0.085 nan 4.420 nan 0.000 0.269 204 P C 0.520 177.668 177.300 -0.254 0.000 1.209 204 P CA -0.081 62.840 63.100 -0.297 0.000 0.776 204 P CB 0.773 31.973 31.700 -0.834 0.000 0.876 205 L N 1.922 123.094 121.223 -0.085 0.000 2.376 205 L HA -0.121 4.218 4.340 -0.001 0.000 0.219 205 L C 2.294 179.238 176.870 0.123 0.000 1.133 205 L CA 0.973 55.847 54.840 0.058 0.000 0.816 205 L CB -0.921 41.200 42.059 0.105 0.000 0.933 205 L HN 0.472 nan 8.230 nan 0.000 0.449 206 Y N -2.939 117.466 120.300 0.175 0.000 2.571 206 Y HA 0.041 4.590 4.550 -0.001 0.000 0.294 206 Y C 1.391 177.525 175.900 0.391 0.000 1.141 206 Y CA -0.063 58.152 58.100 0.192 0.000 1.308 206 Y CB -0.676 37.851 38.460 0.111 0.000 1.002 206 Y HN 0.074 nan 8.280 nan 0.000 0.551 207 H N 1.581 120.656 119.070 0.008 0.000 2.467 207 H HA 0.208 4.764 4.556 -0.001 0.000 0.331 207 H C 1.372 176.653 175.328 -0.079 0.000 1.120 207 H CA 0.172 56.242 56.048 0.035 0.000 1.270 207 H CB 2.510 32.180 29.762 -0.153 0.000 1.466 207 H HN 0.162 nan 8.280 nan 0.000 0.504 208 V N 2.958 122.471 119.914 -0.667 0.000 2.469 208 V HA -0.177 3.942 4.120 -0.001 0.000 0.251 208 V C 2.034 178.065 176.094 -0.106 0.000 1.064 208 V CA 1.536 63.467 62.300 -0.615 0.000 1.066 208 V CB -1.119 30.307 31.823 -0.662 0.000 0.667 208 V HN 0.465 nan 8.190 nan 0.000 0.461 209 V N 1.906 121.844 119.914 0.039 0.000 2.307 209 V HA -0.074 4.045 4.120 -0.001 0.000 0.245 209 V C 2.964 178.971 176.094 -0.146 0.000 1.045 209 V CA 2.294 64.539 62.300 -0.092 0.000 1.024 209 V CB -1.521 30.092 31.823 -0.350 0.000 0.651 209 V HN 0.638 nan 8.190 nan 0.000 0.449 210 G N -1.219 107.547 108.800 -0.056 0.000 2.442 210 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 210 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 210 G C 1.503 176.390 174.900 -0.022 0.000 1.141 210 G CA 1.105 46.177 45.100 -0.046 0.000 0.763 210 G HN 0.480 nan 8.290 nan 0.000 0.554 211 F N 0.157 119.986 119.950 -0.202 0.000 2.148 211 F HA 0.311 4.837 4.527 -0.001 0.000 0.285 211 F C 2.296 177.841 175.800 -0.424 0.000 1.092 211 F CA 0.614 58.398 58.000 -0.360 0.000 1.218 211 F CB -0.189 38.554 39.000 -0.428 0.000 1.059 211 F HN 0.088 nan 8.300 nan 0.000 0.490 212 F N 0.325 120.099 119.950 -0.295 0.000 2.149 212 F HA 0.072 4.599 4.527 -0.001 0.000 0.294 212 F C 2.537 178.193 175.800 -0.241 0.000 1.095 212 F CA 1.141 58.933 58.000 -0.347 0.000 1.276 212 F CB -1.138 37.746 39.000 -0.193 0.000 1.023 212 F HN 0.038 nan 8.300 nan 0.000 0.480 213 A N -0.682 122.175 122.820 0.061 0.000 2.067 213 A HA 0.072 4.392 4.320 -0.001 0.000 0.217 213 A C 1.956 179.507 177.584 -0.056 0.000 1.156 213 A CA 1.463 53.503 52.037 0.006 0.000 0.683 213 A CB -0.602 18.466 19.000 0.113 0.000 0.808 213 A HN 0.204 nan 8.150 nan 0.000 0.455 214 V N -1.406 118.461 119.914 -0.079 0.000 2.870 214 V HA 0.053 4.172 4.120 -0.001 0.000 0.232 214 V C 2.117 178.198 176.094 -0.021 0.000 1.161 214 V CA 0.829 63.133 62.300 0.007 0.000 1.204 214 V CB -0.685 31.182 31.823 0.073 0.000 1.003 214 V HN 0.448 nan 8.190 nan 0.000 0.499 215 L N 0.659 121.739 121.223 -0.237 0.000 1.961 215 L HA -0.085 4.254 4.340 -0.001 0.000 0.210 215 L C 2.329 178.934 176.870 -0.442 0.000 1.072 215 L CA 2.259 56.756 54.840 -0.572 0.000 0.749 215 L CB -0.615 40.943 42.059 -0.835 0.000 0.889 215 L HN 0.135 nan 8.230 nan 0.000 0.432 216 V N 0.482 120.056 119.914 -0.567 0.000 2.287 216 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 216 V C 2.846 178.816 176.094 -0.207 0.000 1.053 216 V CA 1.768 63.804 62.300 -0.440 0.000 1.027 216 V CB -1.669 29.812 31.823 -0.571 0.000 0.646 216 V HN 0.654 nan 8.190 nan 0.000 0.447 217 A N 0.239 122.960 122.820 -0.165 0.000 1.892 217 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 217 A C 2.470 180.015 177.584 -0.065 0.000 1.188 217 A CA 2.643 54.621 52.037 -0.099 0.000 0.631 217 A CB -1.024 17.910 19.000 -0.110 0.000 0.822 217 A HN 0.626 nan 8.150 nan 0.000 0.447 218 A N -0.437 122.358 122.820 -0.042 0.000 1.883 218 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 218 A C 2.218 179.825 177.584 0.039 0.000 1.186 218 A CA 1.717 53.762 52.037 0.014 0.000 0.624 218 A CB -0.645 18.424 19.000 0.115 0.000 0.822 218 A HN 0.504 nan 8.150 nan 0.000 0.444 219 L N -1.164 120.074 121.223 0.025 0.000 2.072 219 L HA -0.108 4.231 4.340 -0.001 0.000 0.205 219 L C 3.037 179.992 176.870 0.143 0.000 1.079 219 L CA 0.949 55.868 54.840 0.133 0.000 0.752 219 L CB -0.564 41.516 42.059 0.035 0.000 0.906 219 L HN 0.428 nan 8.230 nan 0.000 0.436 220 A N -0.039 122.805 122.820 0.040 0.000 2.015 220 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 220 A C 2.007 179.622 177.584 0.052 0.000 1.163 220 A CA 1.073 53.133 52.037 0.039 0.000 0.646 220 A CB -0.498 18.508 19.000 0.010 0.000 0.806 220 A HN 0.407 nan 8.150 nan 0.000 0.448 221 L N -0.648 120.584 121.223 0.015 0.000 2.629 221 L HA 0.083 4.423 4.340 -0.001 0.000 0.230 221 L C -0.326 176.434 176.870 -0.184 0.000 1.151 221 L CA 0.003 54.826 54.840 -0.029 0.000 0.924 221 L CB -0.279 41.728 42.059 -0.086 0.000 1.137 221 L HN 0.251 nan 8.230 nan 0.000 0.457 222 D N -0.565 119.775 120.400 -0.100 0.000 2.981 222 D HA -0.143 4.496 4.640 -0.001 0.000 0.223 222 D C 0.619 176.874 176.300 -0.074 0.000 1.151 222 D CA 1.118 54.987 54.000 -0.219 0.000 0.827 222 D CB -1.318 39.285 40.800 -0.329 0.000 1.101 222 D HN 0.491 nan 8.370 nan 0.000 0.426 223 G N -1.422 107.422 108.800 0.074 0.000 2.828 223 G HA2 0.690 4.649 3.960 -0.001 0.000 0.244 223 G HA3 0.690 4.649 3.960 -0.001 0.000 0.244 223 G C -0.308 174.747 174.900 0.259 0.000 1.365 223 G CA -0.267 44.911 45.100 0.129 0.000 1.041 223 G HN 0.078 nan 8.290 nan 0.000 0.560 224 T N -0.524 114.119 114.554 0.148 0.000 2.829 224 T HA 0.400 4.749 4.350 -0.001 0.000 0.280 224 T C -1.517 173.234 174.700 0.084 0.000 0.999 224 T CA -0.120 62.028 62.100 0.080 0.000 0.983 224 T CB 1.649 70.525 68.868 0.012 0.000 0.968 224 T HN 0.377 nan 8.240 nan 0.000 0.446 225 Y N 2.872 123.140 120.300 -0.052 0.000 2.335 225 Y HA 0.523 5.073 4.550 -0.001 0.000 0.339 225 Y C -0.648 175.228 175.900 -0.040 0.000 0.987 225 Y CA -0.946 57.125 58.100 -0.048 0.000 1.140 225 Y CB 0.692 39.114 38.460 -0.064 0.000 1.173 225 Y HN 0.403 nan 8.280 nan 0.000 0.486 226 V N 7.952 127.567 119.914 -0.499 0.000 2.368 226 V HA 0.159 4.279 4.120 -0.001 0.000 0.266 226 V C -0.102 175.638 176.094 -0.590 0.000 1.045 226 V CA -0.774 61.292 62.300 -0.389 0.000 0.899 226 V CB 0.539 32.220 31.823 -0.236 0.000 1.006 226 V HN 0.609 nan 8.190 nan 0.000 0.470 227 V N 6.211 125.939 119.914 -0.310 0.000 2.637 227 V HA 0.221 4.341 4.120 -0.001 0.000 0.296 227 V C 0.177 176.208 176.094 -0.104 0.000 1.046 227 V CA -0.036 62.177 62.300 -0.146 0.000 1.066 227 V CB 1.475 33.327 31.823 0.048 0.000 0.968 227 V HN 0.610 nan 8.190 nan 0.000 0.483 228 V N 4.245 124.128 119.914 -0.052 0.000 2.482 228 V HA 0.298 4.417 4.120 -0.001 0.000 0.295 228 V C 0.544 176.661 176.094 0.038 0.000 1.026 228 V CA -0.432 61.861 62.300 -0.010 0.000 0.856 228 V CB 1.324 33.142 31.823 -0.009 0.000 1.001 228 V HN 0.931 nan 8.190 nan 0.000 0.424 229 E N 2.728 122.951 120.200 0.039 0.000 2.158 229 E HA 0.119 4.468 4.350 -0.001 0.000 0.191 229 E C 0.873 177.514 176.600 0.068 0.000 0.982 229 E CA 1.185 57.620 56.400 0.057 0.000 0.823 229 E CB 0.369 30.096 29.700 0.046 0.000 0.766 229 E HN 0.884 nan 8.360 nan 0.000 0.468 230 E N 0.501 120.736 120.200 0.059 0.000 2.304 230 E HA 0.316 4.665 4.350 -0.001 0.000 0.277 230 E C -1.660 174.989 176.600 0.082 0.000 0.898 230 E CA -0.754 55.693 56.400 0.079 0.000 0.764 230 E CB 0.505 30.235 29.700 0.051 0.000 1.216 230 E HN 0.167 nan 8.360 nan 0.000 0.419 231 F N 2.711 122.643 119.950 -0.031 0.000 2.438 231 F HA 0.688 5.214 4.527 -0.001 0.000 0.356 231 F C 0.296 176.074 175.800 -0.036 0.000 1.099 231 F CA -0.280 57.673 58.000 -0.078 0.000 1.185 231 F CB 0.762 39.661 39.000 -0.169 0.000 1.115 231 F HN 0.496 nan 8.300 nan 0.000 0.526 232 R N 7.378 127.332 120.500 -0.910 0.000 2.533 232 R HA 0.255 4.594 4.340 -0.001 0.000 0.288 232 R C -2.037 173.700 176.300 -0.939 0.000 1.039 232 R CA -1.625 53.967 56.100 -0.847 0.000 0.909 232 R CB 1.937 32.026 30.300 -0.351 0.000 1.195 232 R HN 0.360 nan 8.270 nan 0.000 0.438 233 P HA -0.149 nan 4.420 nan 0.000 0.216 233 P C 1.106 178.289 177.300 -0.194 0.000 1.153 233 P CA 1.130 63.980 63.100 -0.417 0.000 0.848 233 P CB 0.316 31.942 31.700 -0.123 0.000 0.787 234 V N 1.289 121.110 119.914 -0.156 0.000 2.453 234 V HA -0.182 3.938 4.120 -0.001 0.000 0.247 234 V C 2.545 178.583 176.094 -0.095 0.000 1.048 234 V CA 2.044 64.292 62.300 -0.087 0.000 1.049 234 V CB -1.363 30.428 31.823 -0.055 0.000 0.672 234 V HN 0.186 nan 8.190 nan 0.000 0.457 235 D N 0.568 120.885 120.400 -0.138 0.000 2.117 235 D HA -0.161 4.479 4.640 -0.001 0.000 0.197 235 D C 2.150 178.390 176.300 -0.100 0.000 0.987 235 D CA 1.566 55.496 54.000 -0.116 0.000 0.829 235 D CB 0.265 40.984 40.800 -0.136 0.000 0.961 235 D HN 0.407 nan 8.370 nan 0.000 0.460 236 A N 0.897 123.639 122.820 -0.130 0.000 1.933 236 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 236 A C 2.535 180.107 177.584 -0.019 0.000 1.175 236 A CA 0.733 52.737 52.037 -0.054 0.000 0.628 236 A CB -0.634 18.371 19.000 0.008 0.000 0.814 236 A HN 0.323 nan 8.150 nan 0.000 0.444 237 L N -1.033 120.176 121.223 -0.024 0.000 2.156 237 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 237 L C 2.827 179.689 176.870 -0.013 0.000 1.095 237 L CA 1.152 55.987 54.840 -0.008 0.000 0.770 237 L CB -0.600 41.455 42.059 -0.007 0.000 0.914 237 L HN 0.498 nan 8.230 nan 0.000 0.439 238 Q N 0.105 119.889 119.800 -0.026 0.000 2.084 238 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 238 Q C 2.362 178.349 176.000 -0.022 0.000 0.978 238 Q CA 1.319 57.108 55.803 -0.024 0.000 0.844 238 Q CB -0.125 28.595 28.738 -0.031 0.000 0.898 238 Q HN 0.529 nan 8.270 nan 0.000 0.426 239 L N -0.086 121.121 121.223 -0.027 0.000 2.131 239 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 239 L C 2.337 179.196 176.870 -0.019 0.000 1.092 239 L CA 0.510 55.334 54.840 -0.028 0.000 0.759 239 L CB -0.497 41.539 42.059 -0.039 0.000 0.903 239 L HN 0.091 nan 8.230 nan 0.000 0.435 240 V N -0.099 119.810 119.914 -0.009 0.000 2.287 240 V HA -0.350 3.769 4.120 -0.001 0.000 0.248 240 V C 2.534 178.630 176.094 0.004 0.000 1.053 240 V CA 2.137 64.439 62.300 0.002 0.000 1.027 240 V CB -0.494 31.337 31.823 0.013 0.000 0.646 240 V HN 0.553 nan 8.190 nan 0.000 0.447 241 Q N -0.508 119.292 119.800 0.001 0.000 2.016 241 Q HA -0.267 4.073 4.340 -0.001 0.000 0.200 241 Q C 2.404 178.403 176.000 -0.001 0.000 0.978 241 Q CA 2.023 57.827 55.803 0.002 0.000 0.833 241 Q CB -0.141 28.597 28.738 -0.000 0.000 0.895 241 Q HN 0.695 nan 8.270 nan 0.000 0.427 242 Q N -0.579 119.217 119.800 -0.007 0.000 2.170 242 Q HA -0.144 4.195 4.340 -0.001 0.000 0.203 242 Q C 0.883 176.877 176.000 -0.010 0.000 0.976 242 Q CA 1.241 57.038 55.803 -0.010 0.000 0.858 242 Q CB 0.381 29.109 28.738 -0.016 0.000 0.907 242 Q HN 0.320 nan 8.270 nan 0.000 0.433 243 E N -0.214 119.979 120.200 -0.012 0.000 2.498 243 E HA 0.021 4.370 4.350 -0.001 0.000 0.203 243 E C -0.442 176.158 176.600 -0.000 0.000 1.013 243 E CA 0.029 56.421 56.400 -0.014 0.000 0.927 243 E CB 0.823 30.506 29.700 -0.028 0.000 1.012 243 E HN 0.245 nan 8.360 nan 0.000 0.482 244 Q N 0.203 120.008 119.800 0.007 0.000 2.453 244 Q HA -0.143 4.197 4.340 -0.001 0.000 0.330 244 Q C -0.276 175.740 176.000 0.026 0.000 1.417 244 Q CA 0.346 56.162 55.803 0.021 0.000 0.902 244 Q CB -2.378 26.378 28.738 0.030 0.000 1.154 244 Q HN 0.060 nan 8.270 nan 0.000 0.395 245 V N 1.234 121.159 119.914 0.019 0.000 2.585 245 V HA 0.030 4.149 4.120 -0.001 0.000 0.296 245 V C 1.907 178.029 176.094 0.048 0.000 1.035 245 V CA 1.229 63.542 62.300 0.022 0.000 1.084 245 V CB 1.232 33.063 31.823 0.013 0.000 0.953 245 V HN 0.684 nan 8.190 nan 0.000 0.483 246 T N 0.087 114.679 114.554 0.062 0.000 3.039 246 T HA 0.123 4.473 4.350 -0.001 0.000 0.250 246 T C 0.637 175.441 174.700 0.172 0.000 1.052 246 T CA 0.505 62.674 62.100 0.116 0.000 1.125 246 T CB 0.215 69.162 68.868 0.132 0.000 0.908 246 T HN 0.762 nan 8.240 nan 0.000 0.473 247 S N 1.378 117.151 115.700 0.121 0.000 2.540 247 S HA 0.718 5.187 4.470 -0.001 0.000 0.275 247 S C -1.257 173.401 174.600 0.098 0.000 1.123 247 S CA -1.206 57.077 58.200 0.139 0.000 0.907 247 S CB 2.066 65.315 63.200 0.083 0.000 1.081 247 S HN 0.647 nan 8.310 nan 0.000 0.476 248 L N -0.021 121.271 121.223 0.115 0.000 2.408 248 L HA 0.927 5.267 4.340 -0.001 0.000 0.268 248 L C -1.457 175.521 176.870 0.180 0.000 0.986 248 L CA -0.811 54.106 54.840 0.129 0.000 0.820 248 L CB 1.517 43.639 42.059 0.104 0.000 1.303 248 L HN 0.666 nan 8.230 nan 0.000 0.411 249 F N 2.904 122.896 119.950 0.071 0.000 2.449 249 F HA 0.918 5.444 4.527 -0.001 0.000 0.342 249 F C -0.195 175.662 175.800 0.096 0.000 1.127 249 F CA -0.456 57.599 58.000 0.092 0.000 0.975 249 F CB 1.520 40.562 39.000 0.069 0.000 1.146 249 F HN 1.020 nan 8.300 nan 0.000 0.444 250 A N 2.631 125.768 122.820 0.529 0.000 2.594 250 A HA 0.676 4.995 4.320 -0.001 0.000 0.291 250 A C -0.538 177.219 177.584 0.288 0.000 1.105 250 A CA -0.394 51.865 52.037 0.370 0.000 0.694 250 A CB 0.955 20.104 19.000 0.249 0.000 1.291 250 A HN 0.762 nan 8.150 nan 0.000 0.410 251 T N -0.865 113.740 114.554 0.085 0.000 2.860 251 T HA 0.422 4.771 4.350 -0.001 0.000 0.299 251 T C -1.826 172.809 174.700 -0.109 0.000 1.045 251 T CA -0.940 61.108 62.100 -0.087 0.000 1.071 251 T CB 0.561 69.213 68.868 -0.359 0.000 0.985 251 T HN 0.241 nan 8.240 nan 0.000 0.537 252 P HA -0.131 nan 4.420 nan 0.000 0.218 252 P C 1.570 178.787 177.300 -0.138 0.000 1.152 252 P CA 1.325 64.344 63.100 -0.135 0.000 0.857 252 P CB -0.224 31.425 31.700 -0.085 0.000 0.787 253 T N -2.217 112.229 114.554 -0.181 0.000 2.770 253 T HA -0.144 4.206 4.350 -0.001 0.000 0.263 253 T C 1.480 176.117 174.700 -0.105 0.000 1.039 253 T CA 1.342 63.350 62.100 -0.154 0.000 1.142 253 T CB -1.049 67.700 68.868 -0.198 0.000 0.868 253 T HN 0.372 nan 8.240 nan 0.000 0.435 254 H N 0.685 119.630 119.070 -0.208 0.000 2.352 254 H HA 0.046 4.601 4.556 -0.001 0.000 0.299 254 H C 2.187 177.483 175.328 -0.053 0.000 1.097 254 H CA 0.943 56.794 56.048 -0.329 0.000 1.311 254 H CB -0.201 29.204 29.762 -0.596 0.000 1.377 254 H HN 0.187 nan 8.280 nan 0.000 0.504 255 L N 0.109 121.352 121.223 0.033 0.000 2.201 255 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 255 L C 2.060 178.916 176.870 -0.025 0.000 1.105 255 L CA 0.915 55.746 54.840 -0.016 0.000 0.775 255 L CB -0.175 41.793 42.059 -0.152 0.000 0.913 255 L HN 0.298 nan 8.230 nan 0.000 0.440 256 D N 0.191 120.576 120.400 -0.024 0.000 2.097 256 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 256 D C 2.198 178.521 176.300 0.038 0.000 0.989 256 D CA 1.413 55.407 54.000 -0.010 0.000 0.827 256 D CB 0.174 40.968 40.800 -0.010 0.000 0.966 256 D HN 0.229 nan 8.370 nan 0.000 0.456 257 A N 0.060 122.949 122.820 0.115 0.000 1.877 257 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 257 A C 2.408 180.073 177.584 0.134 0.000 1.186 257 A CA 1.075 53.215 52.037 0.171 0.000 0.620 257 A CB -0.919 18.291 19.000 0.351 0.000 0.822 257 A HN 0.344 nan 8.150 nan 0.000 0.443 258 L N -0.838 120.493 121.223 0.181 0.000 2.046 258 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 258 L C 3.060 179.948 176.870 0.029 0.000 1.077 258 L CA 1.143 56.058 54.840 0.124 0.000 0.747 258 L CB -0.443 41.714 42.059 0.162 0.000 0.896 258 L HN 0.456 nan 8.230 nan 0.000 0.432 259 A N -0.380 122.443 122.820 0.004 0.000 1.929 259 A HA -0.035 4.284 4.320 -0.001 0.000 0.216 259 A C 2.496 179.993 177.584 -0.145 0.000 1.176 259 A CA 1.313 53.332 52.037 -0.029 0.000 0.628 259 A CB -0.564 18.435 19.000 -0.003 0.000 0.816 259 A HN 0.373 nan 8.150 nan 0.000 0.444 260 A N -0.005 122.720 122.820 -0.159 0.000 1.933 260 A HA 0.186 4.505 4.320 -0.001 0.000 0.218 260 A C 2.448 179.734 177.584 -0.497 0.000 1.175 260 A CA 1.919 53.770 52.037 -0.310 0.000 0.628 260 A CB -0.869 18.052 19.000 -0.131 0.000 0.814 260 A HN 0.971 nan 8.150 nan 0.000 0.444 261 A N -0.147 122.548 122.820 -0.208 0.000 1.930 261 A HA 0.239 4.558 4.320 -0.001 0.000 0.217 261 A C 2.334 179.830 177.584 -0.146 0.000 1.175 261 A CA 1.653 53.617 52.037 -0.122 0.000 0.627 261 A CB -0.875 18.115 19.000 -0.016 0.000 0.815 261 A HN 1.102 nan 8.150 nan 0.000 0.443 262 A N -0.813 121.932 122.820 -0.124 0.000 2.248 262 A HA 0.337 4.656 4.320 -0.001 0.000 0.210 262 A C 2.028 179.541 177.584 -0.118 0.000 1.174 262 A CA 1.591 53.582 52.037 -0.076 0.000 0.750 262 A CB -0.549 18.442 19.000 -0.015 0.000 0.780 262 A HN 0.851 nan 8.150 nan 0.000 0.478 263 A N -1.107 121.541 122.820 -0.287 0.000 1.909 263 A HA 0.144 4.463 4.320 -0.001 0.000 0.209 263 A C 1.927 179.403 177.584 -0.179 0.000 1.247 263 A CA 0.782 52.634 52.037 -0.308 0.000 0.660 263 A CB -0.604 18.069 19.000 -0.544 0.000 0.910 263 A HN 0.530 nan 8.150 nan 0.000 0.465 264 H N 0.683 119.718 119.070 -0.058 0.000 2.353 264 H HA 0.086 4.641 4.556 -0.001 0.000 0.300 264 H C 1.190 176.503 175.328 -0.025 0.000 1.090 264 H CA 0.985 57.010 56.048 -0.038 0.000 1.327 264 H CB -0.595 29.145 29.762 -0.038 0.000 1.383 264 H HN 0.415 nan 8.280 nan 0.000 0.508 265 A N 1.919 124.779 122.820 0.067 0.000 2.582 265 A HA 0.510 4.829 4.320 -0.001 0.000 0.336 265 A C 1.338 178.926 177.584 0.007 0.000 1.445 265 A CA 0.115 52.170 52.037 0.030 0.000 0.997 265 A CB -0.053 18.959 19.000 0.020 0.000 1.148 265 A HN 0.386 nan 8.150 nan 0.000 0.514 266 G N 1.125 109.933 108.800 0.014 0.000 3.078 266 G HA2 0.151 4.110 3.960 -0.001 0.000 0.163 266 G HA3 0.151 4.110 3.960 -0.001 0.000 0.163 266 G C 1.410 176.320 174.900 0.016 0.000 1.894 266 G CA 0.715 45.824 45.100 0.014 0.000 0.951 266 G HN 1.160 nan 8.290 nan 0.000 0.446 267 S N -0.048 115.663 115.700 0.018 0.000 2.720 267 S HA 0.076 4.545 4.470 -0.001 0.000 0.222 267 S C 1.994 176.600 174.600 0.011 0.000 0.958 267 S CA 1.036 59.245 58.200 0.015 0.000 0.943 267 S CB 0.066 63.276 63.200 0.015 0.000 0.779 267 S HN 0.251 nan 8.310 nan 0.000 0.526 268 S N 1.625 117.331 115.700 0.010 0.000 2.356 268 S HA 0.108 4.577 4.470 -0.001 0.000 0.223 268 S C 0.628 175.231 174.600 0.005 0.000 1.032 268 S CA 0.669 58.874 58.200 0.007 0.000 1.005 268 S CB -0.422 62.783 63.200 0.008 0.000 0.867 268 S HN 0.521 nan 8.310 nan 0.000 0.449 269 L N 1.850 123.077 121.223 0.005 0.000 2.275 269 L HA 0.459 4.798 4.340 -0.001 0.000 0.288 269 L C 0.274 177.148 176.870 0.007 0.000 1.046 269 L CA -0.627 54.215 54.840 0.004 0.000 0.805 269 L CB 0.729 42.789 42.059 0.001 0.000 1.193 269 L HN 0.047 nan 8.230 nan 0.000 0.426 270 K N 4.909 125.312 120.400 0.006 0.000 2.285 270 K HA 0.494 4.814 4.320 -0.001 0.000 0.286 270 K C 0.034 176.640 176.600 0.010 0.000 1.072 270 K CA -0.131 56.161 56.287 0.008 0.000 0.913 270 K CB 0.071 32.575 32.500 0.007 0.000 1.067 270 K HN 0.716 nan 8.250 nan 0.000 0.479 271 L N 1.548 122.778 121.223 0.012 0.000 2.910 271 L HA 0.151 4.490 4.340 -0.001 0.000 0.252 271 L C 0.503 177.381 176.870 0.014 0.000 1.195 271 L CA -0.450 54.399 54.840 0.015 0.000 1.003 271 L CB 0.579 42.649 42.059 0.018 0.000 1.328 271 L HN 0.645 nan 8.230 nan 0.000 0.540 272 D N 0.338 120.745 120.400 0.012 0.000 2.144 272 D HA -0.174 4.466 4.640 -0.001 0.000 0.199 272 D C 2.332 178.638 176.300 0.010 0.000 0.984 272 D CA 1.755 55.760 54.000 0.008 0.000 0.834 272 D CB 0.006 40.811 40.800 0.007 0.000 0.955 272 D HN 0.358 nan 8.370 nan 0.000 0.465 273 S N 0.234 115.945 115.700 0.018 0.000 2.419 273 S HA -0.147 4.322 4.470 -0.001 0.000 0.233 273 S C 1.016 175.636 174.600 0.034 0.000 1.016 273 S CA -0.057 58.160 58.200 0.029 0.000 0.974 273 S CB -0.475 62.746 63.200 0.034 0.000 0.786 273 S HN 0.191 nan 8.310 nan 0.000 0.492 274 L N 2.680 123.918 121.223 0.026 0.000 2.433 274 L HA 0.342 4.681 4.340 -0.001 0.000 0.275 274 L C 1.030 177.895 176.870 -0.008 0.000 1.128 274 L CA 0.088 54.946 54.840 0.030 0.000 0.875 274 L CB 0.320 42.399 42.059 0.033 0.000 1.171 274 L HN 0.034 nan 8.230 nan 0.000 0.463 275 R N 3.415 123.893 120.500 -0.037 0.000 2.419 275 R HA 0.292 4.631 4.340 -0.001 0.000 0.235 275 R C -0.440 175.549 176.300 -0.519 0.000 0.899 275 R CA 0.112 56.061 56.100 -0.252 0.000 1.048 275 R CB 0.256 30.381 30.300 -0.291 0.000 1.182 275 R HN 0.663 nan 8.270 nan 0.000 0.544 276 H N 0.110 119.195 119.070 0.025 0.000 2.823 276 H HA 0.351 4.906 4.556 -0.001 0.000 0.332 276 H C -0.903 174.432 175.328 0.011 0.000 0.980 276 H CA -0.603 55.450 56.048 0.008 0.000 1.286 276 H CB 2.565 32.322 29.762 -0.008 0.000 1.541 276 H HN -0.278 nan 8.280 nan 0.000 0.521 277 V N 4.251 124.226 119.914 0.101 0.000 2.326 277 V HA 0.229 4.349 4.120 -0.001 0.000 0.281 277 V C 0.163 176.301 176.094 0.073 0.000 1.015 277 V CA -0.426 61.941 62.300 0.112 0.000 0.823 277 V CB 1.369 33.271 31.823 0.133 0.000 1.009 277 V HN 0.770 nan 8.190 nan 0.000 0.436 278 T N 5.327 119.829 114.554 -0.086 0.000 2.918 278 T HA 0.912 5.261 4.350 -0.001 0.000 0.286 278 T C -0.651 173.749 174.700 -0.501 0.000 1.026 278 T CA -0.432 61.352 62.100 -0.526 0.000 1.031 278 T CB 1.676 70.001 68.868 -0.905 0.000 1.046 278 T HN 0.571 nan 8.240 nan 0.000 0.479 279 F N -1.716 117.910 119.950 -0.539 0.000 2.744 279 F HA 0.718 5.245 4.527 -0.001 0.000 0.311 279 F C -0.948 174.863 175.800 0.018 0.000 1.144 279 F CA -1.852 56.041 58.000 -0.177 0.000 0.938 279 F CB 0.752 39.716 39.000 -0.060 0.000 1.292 279 F HN 0.653 nan 8.300 nan 0.000 0.444 280 A N 0.950 123.996 122.820 0.377 0.000 2.650 280 A HA 0.577 4.897 4.320 -0.001 0.000 0.320 280 A C 0.782 178.549 177.584 0.305 0.000 1.466 280 A CA 0.134 52.340 52.037 0.283 0.000 1.099 280 A CB -0.726 18.404 19.000 0.216 0.000 1.136 280 A HN 1.411 nan 8.150 nan 0.000 0.532 281 G N 0.972 110.000 108.800 0.379 0.000 3.189 281 G HA2 0.292 4.252 3.960 -0.001 0.000 0.225 281 G HA3 0.292 4.252 3.960 -0.001 0.000 0.225 281 G C 1.229 176.253 174.900 0.206 0.000 1.159 281 G CA 0.814 46.127 45.100 0.354 0.000 0.763 281 G HN 0.936 nan 8.290 nan 0.000 0.549 282 A N 1.066 124.002 122.820 0.193 0.000 1.927 282 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 282 A C 2.330 179.974 177.584 0.100 0.000 1.185 282 A CA 2.419 54.545 52.037 0.149 0.000 0.639 282 A CB -0.658 18.468 19.000 0.209 0.000 0.820 282 A HN 0.638 nan 8.150 nan 0.000 0.451 283 T N -3.722 110.887 114.554 0.093 0.000 3.243 283 T HA 0.523 4.873 4.350 -0.001 0.000 0.264 283 T C 0.149 174.873 174.700 0.040 0.000 1.000 283 T CA -0.123 62.012 62.100 0.059 0.000 0.901 283 T CB -0.345 68.553 68.868 0.050 0.000 1.083 283 T HN 0.372 nan 8.240 nan 0.000 0.559 284 M N 2.838 122.466 119.600 0.047 0.000 2.084 284 M HA 0.451 4.930 4.480 -0.001 0.000 0.351 284 M C -2.706 173.600 176.300 0.011 0.000 1.240 284 M CA -2.108 53.197 55.300 0.008 0.000 1.083 284 M CB 1.134 33.721 32.600 -0.021 0.000 1.593 284 M HN -0.092 nan 8.290 nan 0.000 0.463 285 P HA 0.083 nan 4.420 nan 0.000 0.270 285 P C -0.452 176.856 177.300 0.013 0.000 1.223 285 P CA -0.040 63.068 63.100 0.013 0.000 0.785 285 P CB 0.546 32.253 31.700 0.011 0.000 0.923 286 D N 0.618 121.034 120.400 0.027 0.000 2.218 286 D HA -0.109 4.531 4.640 -0.001 0.000 0.204 286 D C 1.861 178.182 176.300 0.035 0.000 0.976 286 D CA 1.409 55.431 54.000 0.036 0.000 0.853 286 D CB -0.342 40.482 40.800 0.040 0.000 0.939 286 D HN 0.339 nan 8.370 nan 0.000 0.481 287 A N 0.018 122.855 122.820 0.028 0.000 1.855 287 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 287 A C 2.439 180.032 177.584 0.015 0.000 1.191 287 A CA 1.198 53.252 52.037 0.029 0.000 0.613 287 A CB -0.771 18.246 19.000 0.029 0.000 0.829 287 A HN 0.135 nan 8.150 nan 0.000 0.442 288 V N -0.065 119.842 119.914 -0.011 0.000 2.332 288 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 288 V C 2.522 178.564 176.094 -0.086 0.000 1.055 288 V CA 2.049 64.319 62.300 -0.049 0.000 1.038 288 V CB -0.921 30.855 31.823 -0.077 0.000 0.651 288 V HN 0.595 nan 8.190 nan 0.000 0.450 289 L N 0.692 121.868 121.223 -0.079 0.000 1.994 289 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 289 L C 2.518 179.393 176.870 0.007 0.000 1.071 289 L CA 2.587 57.371 54.840 -0.094 0.000 0.745 289 L CB -0.775 41.289 42.059 0.009 0.000 0.892 289 L HN 0.449 nan 8.230 nan 0.000 0.431 290 E N -0.760 119.492 120.200 0.085 0.000 2.070 290 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 290 E C 2.035 178.690 176.600 0.092 0.000 1.004 290 E CA 2.392 58.865 56.400 0.121 0.000 0.805 290 E CB -0.744 29.004 29.700 0.079 0.000 0.744 290 E HN 0.522 nan 8.360 nan 0.000 0.451 291 T N -0.252 114.347 114.554 0.074 0.000 2.720 291 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 291 T C 1.797 176.561 174.700 0.106 0.000 1.037 291 T CA 1.440 63.624 62.100 0.141 0.000 1.144 291 T CB -0.311 68.609 68.868 0.087 0.000 0.864 291 T HN 0.051 nan 8.240 nan 0.000 0.444 292 V N 0.933 120.826 119.914 -0.035 0.000 2.358 292 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 292 V C 2.400 178.429 176.094 -0.109 0.000 1.047 292 V CA 1.527 63.754 62.300 -0.122 0.000 1.035 292 V CB -0.575 31.065 31.823 -0.305 0.000 0.658 292 V HN 0.581 nan 8.190 nan 0.000 0.452 293 H N -0.357 118.709 119.070 -0.007 0.000 2.357 293 H HA -0.088 4.468 4.556 -0.001 0.000 0.301 293 H C 2.487 177.774 175.328 -0.068 0.000 1.082 293 H CA 1.466 57.505 56.048 -0.014 0.000 1.342 293 H CB -0.041 29.716 29.762 -0.008 0.000 1.389 293 H HN 0.439 nan 8.280 nan 0.000 0.511 294 Q N 0.242 120.033 119.800 -0.016 0.000 2.079 294 Q HA -0.097 4.242 4.340 -0.001 0.000 0.200 294 Q C 1.204 176.975 176.000 -0.381 0.000 0.974 294 Q CA 1.348 56.982 55.803 -0.281 0.000 0.840 294 Q CB -0.008 28.416 28.738 -0.524 0.000 0.898 294 Q HN 0.716 nan 8.270 nan 0.000 0.430 295 H N -1.837 117.236 119.070 0.006 0.000 2.893 295 H HA 0.347 4.902 4.556 -0.001 0.000 0.270 295 H C -0.175 175.144 175.328 -0.016 0.000 1.095 295 H CA -0.214 55.825 56.048 -0.014 0.000 1.186 295 H CB 0.994 30.734 29.762 -0.036 0.000 1.562 295 H HN -0.052 nan 8.280 nan 0.000 0.536 296 L N 2.401 123.666 121.223 0.069 0.000 2.346 296 L HA 0.425 4.764 4.340 -0.001 0.000 0.274 296 L C -2.221 174.667 176.870 0.030 0.000 1.007 296 L CA -2.140 52.725 54.840 0.043 0.000 0.818 296 L CB 2.415 44.489 42.059 0.025 0.000 1.284 296 L HN 0.004 nan 8.230 nan 0.000 0.424 297 P HA 0.390 nan 4.420 nan 0.000 0.302 297 P C -0.194 177.113 177.300 0.012 0.000 1.307 297 P CA -0.019 63.091 63.100 0.017 0.000 0.754 297 P CB 0.811 32.519 31.700 0.012 0.000 1.298 298 G N -0.852 107.942 108.800 -0.010 0.000 2.819 298 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.682 298 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.682 298 G C -0.484 174.399 174.900 -0.028 0.000 1.481 298 G CA -0.456 44.615 45.100 -0.048 0.000 0.904 298 G HN 0.783 nan 8.290 nan 0.000 0.563 299 E N 0.193 120.345 120.200 -0.080 0.000 2.376 299 E HA 0.297 4.646 4.350 -0.001 0.000 0.266 299 E C -0.007 176.617 176.600 0.039 0.000 1.009 299 E CA -0.240 56.151 56.400 -0.014 0.000 0.902 299 E CB 0.264 29.944 29.700 -0.033 0.000 0.972 299 E HN 0.276 nan 8.360 nan 0.000 0.439 300 K N 2.842 123.296 120.400 0.089 0.000 2.248 300 K HA 0.313 4.632 4.320 -0.001 0.000 0.281 300 K C -1.105 175.508 176.600 0.021 0.000 1.054 300 K CA -0.523 55.836 56.287 0.120 0.000 0.903 300 K CB 1.693 34.294 32.500 0.168 0.000 1.077 300 K HN 0.191 nan 8.250 nan 0.000 0.474 301 V N 3.522 123.326 119.914 -0.183 0.000 2.443 301 V HA 0.263 4.382 4.120 -0.001 0.000 0.293 301 V C -0.326 175.304 176.094 -0.773 0.000 1.021 301 V CA -1.147 60.987 62.300 -0.276 0.000 0.848 301 V CB 1.627 33.392 31.823 -0.097 0.000 0.998 301 V HN 0.643 nan 8.190 nan 0.000 0.424 302 N N 4.624 122.966 118.700 -0.597 0.000 2.514 302 N HA 0.422 5.161 4.740 -0.001 0.000 0.277 302 N C -1.020 174.380 175.510 -0.184 0.000 1.126 302 N CA -0.218 52.477 53.050 -0.593 0.000 0.978 302 N CB 0.823 39.219 38.487 -0.151 0.000 1.106 302 N HN 0.477 nan 8.380 nan 0.000 0.461 303 I N 3.497 124.007 120.570 -0.101 0.000 2.499 303 I HA 0.176 4.346 4.170 -0.001 0.000 0.288 303 I C -1.060 175.179 176.117 0.202 0.000 1.048 303 I CA -0.689 60.682 61.300 0.119 0.000 1.062 303 I CB 1.124 39.228 38.000 0.173 0.000 1.238 303 I HN 0.527 nan 8.210 nan 0.000 0.426 304 Y N 5.486 125.841 120.300 0.092 0.000 2.341 304 Y HA 0.763 5.312 4.550 -0.001 0.000 0.337 304 Y C 0.087 176.007 175.900 0.033 0.000 1.014 304 Y CA -0.113 58.029 58.100 0.069 0.000 1.111 304 Y CB 1.716 40.205 38.460 0.048 0.000 1.194 304 Y HN 0.656 nan 8.280 nan 0.000 0.462 305 G N 2.312 110.750 108.800 -0.604 0.000 2.645 305 G HA2 0.537 4.497 3.960 -0.001 0.000 0.292 305 G HA3 0.537 4.497 3.960 -0.001 0.000 0.292 305 G C -1.480 173.111 174.900 -0.515 0.000 1.415 305 G CA -0.552 44.249 45.100 -0.498 0.000 0.785 305 G HN 0.802 nan 8.290 nan 0.000 0.483 306 T N -3.549 110.801 114.554 -0.340 0.000 2.896 306 T HA 0.542 4.891 4.350 -0.001 0.000 0.297 306 T C 1.038 175.551 174.700 -0.311 0.000 1.108 306 T CA 0.317 62.263 62.100 -0.257 0.000 1.004 306 T CB 1.508 70.288 68.868 -0.145 0.000 1.159 306 T HN 0.359 nan 8.240 nan 0.000 0.499 307 T N 1.306 115.679 114.554 -0.301 0.000 2.699 307 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 307 T C 1.571 175.990 174.700 -0.468 0.000 1.036 307 T CA 2.235 64.110 62.100 -0.375 0.000 1.147 307 T CB -0.397 68.306 68.868 -0.274 0.000 0.862 307 T HN 0.790 nan 8.240 nan 0.000 0.446 308 E N 0.896 120.697 120.200 -0.665 0.000 2.106 308 E HA 0.112 4.462 4.350 -0.001 0.000 0.192 308 E C 1.918 178.125 176.600 -0.655 0.000 0.984 308 E CA 1.139 56.903 56.400 -1.060 0.000 0.806 308 E CB -0.087 28.436 29.700 -1.961 0.000 0.750 308 E HN 0.485 nan 8.360 nan 0.000 0.458 309 A N -1.166 121.323 122.820 -0.553 0.000 2.508 309 A HA 0.469 4.788 4.320 -0.001 0.000 0.250 309 A C 0.827 178.229 177.584 -0.302 0.000 1.208 309 A CA 0.244 52.088 52.037 -0.322 0.000 0.960 309 A CB -0.051 18.845 19.000 -0.173 0.000 1.099 309 A HN 0.141 nan 8.150 nan 0.000 0.542 310 M N -0.685 118.695 119.600 -0.366 0.000 7.319 310 M HA -0.299 4.180 4.480 -0.001 0.000 0.305 310 M C -0.048 176.000 176.300 -0.420 0.000 0.480 310 M CA 2.034 57.084 55.300 -0.417 0.000 1.311 310 M CB -1.037 31.277 32.600 -0.477 0.000 0.421 310 M HN 0.570 nan 8.290 nan 0.000 0.673 311 N N 0.275 118.632 118.700 -0.572 0.000 2.444 311 N HA 0.515 5.254 4.740 -0.001 0.000 0.271 311 N C -0.375 175.050 175.510 -0.142 0.000 1.069 311 N CA 0.791 53.538 53.050 -0.505 0.000 0.965 311 N CB 1.152 39.032 38.487 -1.011 0.000 1.092 311 N HN 0.470 nan 8.380 nan 0.000 0.476 312 S N 2.143 117.867 115.700 0.041 0.000 2.619 312 S HA 0.407 4.877 4.470 -0.001 0.000 0.238 312 S C -0.249 174.500 174.600 0.248 0.000 1.068 312 S CA -0.178 58.136 58.200 0.190 0.000 0.926 312 S CB 0.330 63.709 63.200 0.297 0.000 0.864 312 S HN 0.484 nan 8.310 nan 0.000 0.493 313 L N 1.050 122.459 121.223 0.310 0.000 2.469 313 L HA 0.637 4.977 4.340 -0.001 0.000 0.256 313 L C -1.250 175.845 176.870 0.375 0.000 1.006 313 L CA -1.205 53.803 54.840 0.280 0.000 0.832 313 L CB 2.124 44.246 42.059 0.106 0.000 1.421 313 L HN 0.316 nan 8.230 nan 0.000 0.410 314 Y N 0.939 121.296 120.300 0.095 0.000 2.725 314 Y HA 0.874 5.424 4.550 -0.001 0.000 0.333 314 Y C -1.540 174.387 175.900 0.045 0.000 1.242 314 Y CA -1.826 56.318 58.100 0.074 0.000 1.059 314 Y CB 1.801 40.318 38.460 0.096 0.000 1.306 314 Y HN 0.540 nan 8.280 nan 0.000 0.454 315 M N 2.379 121.854 119.600 -0.208 0.000 2.284 315 M HA 0.484 4.964 4.480 -0.001 0.000 0.281 315 M C -1.963 174.252 176.300 -0.142 0.000 1.083 315 M CA -0.798 54.322 55.300 -0.299 0.000 0.965 315 M CB 2.077 34.603 32.600 -0.124 0.000 1.717 315 M HN 0.750 nan 8.290 nan 0.000 0.479 316 R N 3.301 123.714 120.500 -0.145 0.000 2.441 316 R HA 0.369 4.708 4.340 -0.001 0.000 0.284 316 R C -0.334 175.980 176.300 0.023 0.000 1.070 316 R CA -0.514 55.588 56.100 0.003 0.000 1.047 316 R CB 0.511 30.834 30.300 0.039 0.000 1.016 316 R HN 0.709 nan 8.270 nan 0.000 0.477 317 Q N 0.543 120.394 119.800 0.085 0.000 2.426 317 Q HA -0.136 4.203 4.340 -0.001 0.000 0.359 317 Q C -2.129 173.959 176.000 0.147 0.000 1.381 317 Q CA 0.549 56.444 55.803 0.154 0.000 1.060 317 Q CB -1.485 27.297 28.738 0.072 0.000 1.253 317 Q HN 0.521 nan 8.270 nan 0.000 0.363 318 P HA 0.120 nan 4.420 nan 0.000 0.276 318 P C 0.525 177.951 177.300 0.210 0.000 1.230 318 P CA 0.417 63.624 63.100 0.179 0.000 0.776 318 P CB 0.769 32.592 31.700 0.205 0.000 0.888 319 K N 1.099 121.548 120.400 0.083 0.000 2.323 319 K HA 0.119 4.439 4.320 -0.001 0.000 0.197 319 K C 1.047 177.695 176.600 0.080 0.000 1.043 319 K CA 1.072 57.383 56.287 0.041 0.000 0.997 319 K CB -0.167 32.328 32.500 -0.009 0.000 0.807 319 K HN 0.624 nan 8.250 nan 0.000 0.497 320 T N -1.915 112.692 114.554 0.088 0.000 2.971 320 T HA 0.481 4.831 4.350 -0.001 0.000 0.304 320 T C 0.955 175.712 174.700 0.095 0.000 1.038 320 T CA 0.173 62.319 62.100 0.078 0.000 1.007 320 T CB 1.426 70.319 68.868 0.042 0.000 1.055 320 T HN 0.190 nan 8.240 nan 0.000 0.451 321 G N 1.623 110.486 108.800 0.106 0.000 2.679 321 G HA2 0.006 3.965 3.960 -0.001 0.000 0.212 321 G HA3 0.006 3.965 3.960 -0.001 0.000 0.212 321 G C 1.278 176.233 174.900 0.092 0.000 1.137 321 G CA 1.137 46.318 45.100 0.135 0.000 0.787 321 G HN 0.879 nan 8.290 nan 0.000 0.534 322 T N -2.098 112.483 114.554 0.046 0.000 3.040 322 T HA 0.203 4.553 4.350 -0.001 0.000 0.252 322 T C 0.705 175.383 174.700 -0.037 0.000 1.064 322 T CA -0.034 62.068 62.100 0.003 0.000 1.110 322 T CB 0.319 69.178 68.868 -0.016 0.000 0.921 322 T HN 0.299 nan 8.240 nan 0.000 0.480 323 E N 1.092 121.279 120.200 -0.023 0.000 2.134 323 E HA 0.656 5.005 4.350 -0.001 0.000 0.278 323 E C -0.935 175.635 176.600 -0.050 0.000 0.959 323 E CA -0.212 56.158 56.400 -0.050 0.000 0.783 323 E CB 1.409 31.093 29.700 -0.027 0.000 1.095 323 E HN 0.378 nan 8.360 nan 0.000 0.399 324 M N 1.311 120.859 119.600 -0.087 0.000 2.683 324 M HA 0.648 5.127 4.480 -0.001 0.000 0.274 324 M C -1.473 174.779 176.300 -0.080 0.000 1.272 324 M CA -0.747 54.506 55.300 -0.079 0.000 0.833 324 M CB 2.497 35.078 32.600 -0.032 0.000 1.708 324 M HN 0.555 nan 8.290 nan 0.000 0.463 325 A N 1.471 124.257 122.820 -0.056 0.000 2.435 325 A HA 0.965 5.285 4.320 -0.001 0.000 0.304 325 A C -2.883 174.797 177.584 0.159 0.000 1.064 325 A CA -1.602 50.453 52.037 0.031 0.000 0.727 325 A CB 1.322 20.334 19.000 0.020 0.000 1.284 325 A HN 0.409 nan 8.150 nan 0.000 0.415 326 P HA 0.326 nan 4.420 nan 0.000 0.271 326 P C 0.295 177.809 177.300 0.357 0.000 1.216 326 P CA 0.444 63.705 63.100 0.268 0.000 0.776 326 P CB 1.305 33.137 31.700 0.220 0.000 0.881 327 G N 1.840 110.845 108.800 0.342 0.000 2.971 327 G HA2 0.411 4.370 3.960 -0.001 0.000 0.235 327 G HA3 0.411 4.370 3.960 -0.001 0.000 0.235 327 G C -1.034 173.956 174.900 0.149 0.000 1.351 327 G CA -0.791 44.457 45.100 0.246 0.000 1.039 327 G HN 0.383 nan 8.290 nan 0.000 0.563 328 F N -0.621 119.283 119.950 -0.077 0.000 2.553 328 F HA 0.338 4.865 4.527 -0.001 0.000 0.356 328 F C 0.953 176.648 175.800 -0.174 0.000 1.142 328 F CA 0.801 58.657 58.000 -0.240 0.000 1.322 328 F CB 0.114 38.840 39.000 -0.457 0.000 1.126 328 F HN 0.432 nan 8.300 nan 0.000 0.599 329 F N -0.054 119.608 119.950 -0.480 0.000 2.571 329 F HA -0.308 4.219 4.527 -0.001 0.000 0.515 329 F C 0.793 176.490 175.800 -0.173 0.000 0.532 329 F CA 0.739 58.568 58.000 -0.284 0.000 1.158 329 F CB -2.046 36.918 39.000 -0.060 0.000 1.848 329 F HN 0.330 nan 8.300 nan 0.000 0.266 330 S N 0.256 115.981 115.700 0.042 0.000 2.565 330 S HA 0.585 5.054 4.470 -0.001 0.000 0.290 330 S C -0.271 174.368 174.600 0.065 0.000 1.150 330 S CA -0.644 57.603 58.200 0.078 0.000 1.058 330 S CB 2.587 65.865 63.200 0.131 0.000 1.032 330 S HN 0.304 nan 8.310 nan 0.000 0.510 331 E N 1.325 121.586 120.200 0.101 0.000 2.278 331 E HA 0.529 4.879 4.350 -0.001 0.000 0.272 331 E C -1.579 175.213 176.600 0.319 0.000 0.890 331 E CA -0.717 55.779 56.400 0.160 0.000 0.770 331 E CB 1.446 31.179 29.700 0.055 0.000 1.212 331 E HN 0.517 nan 8.360 nan 0.000 0.415 332 V N 1.250 121.385 119.914 0.369 0.000 2.876 332 V HA 0.788 4.908 4.120 -0.001 0.000 0.312 332 V C -0.849 175.451 176.094 0.344 0.000 1.085 332 V CA -0.820 61.704 62.300 0.374 0.000 0.945 332 V CB 1.968 33.923 31.823 0.222 0.000 1.017 332 V HN 0.710 nan 8.190 nan 0.000 0.428 333 R N 2.730 123.338 120.500 0.180 0.000 2.808 333 R HA 0.764 5.103 4.340 -0.001 0.000 0.272 333 R C -1.418 174.892 176.300 0.018 0.000 0.995 333 R CA -0.838 55.301 56.100 0.065 0.000 0.917 333 R CB 2.678 32.811 30.300 -0.279 0.000 1.217 333 R HN 0.805 nan 8.270 nan 0.000 0.471 334 I N 2.729 123.350 120.570 0.085 0.000 2.389 334 I HA 0.348 4.518 4.170 -0.001 0.000 0.288 334 I C -0.184 175.932 176.117 -0.002 0.000 0.999 334 I CA -0.978 60.320 61.300 -0.003 0.000 1.129 334 I CB 1.768 39.743 38.000 -0.041 0.000 1.288 334 I HN 0.310 nan 8.210 nan 0.000 0.444 335 V N 2.897 122.776 119.914 -0.057 0.000 2.919 335 V HA 0.581 4.701 4.120 -0.001 0.000 0.316 335 V C 0.159 176.230 176.094 -0.038 0.000 1.077 335 V CA -1.144 61.118 62.300 -0.064 0.000 0.977 335 V CB 1.771 33.520 31.823 -0.123 0.000 1.039 335 V HN 0.816 nan 8.190 nan 0.000 0.441 336 R N 1.413 121.896 120.500 -0.029 0.000 2.585 336 R HA 0.245 4.584 4.340 -0.001 0.000 0.275 336 R C -0.258 176.031 176.300 -0.018 0.000 1.018 336 R CA -0.103 55.988 56.100 -0.015 0.000 1.072 336 R CB 0.066 30.358 30.300 -0.013 0.000 0.953 336 R HN 0.770 nan 8.270 nan 0.000 0.419 337 I N 4.001 124.567 120.570 -0.006 0.000 2.668 337 I HA -0.041 4.129 4.170 -0.001 0.000 0.285 337 I C 1.508 177.622 176.117 -0.005 0.000 1.168 337 I CA 1.541 62.839 61.300 -0.004 0.000 1.424 337 I CB 0.856 38.862 38.000 0.011 0.000 1.377 337 I HN 1.042 nan 8.210 nan 0.000 0.560 338 G N 4.007 112.802 108.800 -0.008 0.000 2.179 338 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.260 338 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.260 338 G C 0.487 175.383 174.900 -0.008 0.000 0.977 338 G CA -0.019 45.078 45.100 -0.004 0.000 0.641 338 G HN 1.003 nan 8.290 nan 0.000 0.533 339 G N -0.370 108.420 108.800 -0.017 0.000 2.557 339 G HA2 0.732 4.692 3.960 -0.001 0.000 0.302 339 G HA3 0.732 4.692 3.960 -0.001 0.000 0.302 339 G C 0.774 175.655 174.900 -0.031 0.000 1.311 339 G CA 0.169 45.256 45.100 -0.021 0.000 1.030 339 G HN 1.175 nan 8.290 nan 0.000 0.509 340 G N -1.930 106.850 108.800 -0.033 0.000 2.606 340 G HA2 0.398 4.357 3.960 -0.001 0.000 0.252 340 G HA3 0.398 4.357 3.960 -0.001 0.000 0.252 340 G C 1.284 176.131 174.900 -0.089 0.000 1.206 340 G CA 0.327 45.403 45.100 -0.041 0.000 0.861 340 G HN 1.261 nan 8.290 nan 0.000 0.561 341 V N -2.105 117.741 119.914 -0.114 0.000 3.078 341 V HA 0.010 4.130 4.120 -0.001 0.000 0.265 341 V C 1.065 176.959 176.094 -0.334 0.000 1.122 341 V CA 1.837 63.971 62.300 -0.277 0.000 1.141 341 V CB -0.270 31.360 31.823 -0.322 0.000 0.735 341 V HN 0.413 nan 8.190 nan 0.000 0.498 342 D N 0.481 120.781 120.400 -0.167 0.000 2.340 342 D HA 0.138 4.777 4.640 -0.001 0.000 0.217 342 D C 0.736 176.981 176.300 -0.093 0.000 1.081 342 D CA 0.261 54.189 54.000 -0.120 0.000 0.842 342 D CB 0.166 40.941 40.800 -0.043 0.000 0.934 342 D HN 0.642 nan 8.370 nan 0.000 0.511 343 E N 1.452 121.592 120.200 -0.099 0.000 2.280 343 E HA 0.098 4.447 4.350 -0.001 0.000 0.279 343 E C 0.221 176.785 176.600 -0.060 0.000 1.325 343 E CA -0.377 55.985 56.400 -0.064 0.000 1.486 343 E CB 0.509 30.179 29.700 -0.049 0.000 1.466 343 E HN 0.107 nan 8.360 nan 0.000 0.473 344 I N 2.131 122.665 120.570 -0.059 0.000 2.826 344 I HA -0.086 4.083 4.170 -0.001 0.000 0.295 344 I C 1.209 177.326 176.117 -0.001 0.000 1.213 344 I CA 0.342 61.624 61.300 -0.030 0.000 1.436 344 I CB -0.586 37.399 38.000 -0.025 0.000 1.348 344 I HN 0.014 nan 8.210 nan 0.000 0.570 345 V N 3.465 123.398 119.914 0.032 0.000 3.237 345 V HA 0.289 4.409 4.120 -0.001 0.000 0.305 345 V C 1.338 177.457 176.094 0.043 0.000 1.096 345 V CA -0.380 61.945 62.300 0.042 0.000 1.130 345 V CB 0.455 32.318 31.823 0.066 0.000 1.048 345 V HN 0.889 nan 8.190 nan 0.000 0.484 346 A N 1.120 123.960 122.820 0.034 0.000 2.176 346 A HA 0.098 4.418 4.320 -0.001 0.000 0.214 346 A C 1.262 178.866 177.584 0.033 0.000 1.327 346 A CA 0.882 52.932 52.037 0.022 0.000 1.015 346 A CB -2.288 16.722 19.000 0.016 0.000 0.818 346 A HN 1.461 nan 8.150 nan 0.000 0.500 347 N N -3.188 115.549 118.700 0.062 0.000 2.713 347 N HA -0.227 4.513 4.740 -0.001 0.000 0.251 347 N C 0.790 176.366 175.510 0.110 0.000 1.117 347 N CA 1.215 54.312 53.050 0.078 0.000 0.770 347 N CB -0.882 37.580 38.487 -0.041 0.000 1.137 347 N HN 0.644 nan 8.380 nan 0.000 0.566 348 G N -1.916 106.945 108.800 0.101 0.000 2.818 348 G HA2 0.042 4.001 3.960 -0.001 0.000 0.170 348 G HA3 0.042 4.001 3.960 -0.001 0.000 0.170 348 G C -0.061 174.885 174.900 0.077 0.000 1.345 348 G CA -0.360 44.793 45.100 0.088 0.000 0.861 348 G HN 0.210 nan 8.290 nan 0.000 0.936 349 E N 1.257 121.500 120.200 0.071 0.000 2.392 349 E HA 0.241 4.591 4.350 -0.001 0.000 0.256 349 E C -0.328 176.308 176.600 0.060 0.000 1.145 349 E CA 0.194 56.628 56.400 0.057 0.000 0.929 349 E CB 0.953 30.679 29.700 0.043 0.000 0.998 349 E HN 0.421 nan 8.360 nan 0.000 0.442 350 E N -0.128 120.103 120.200 0.052 0.000 2.242 350 E HA 0.587 4.937 4.350 -0.001 0.000 0.275 350 E C -0.046 176.572 176.600 0.031 0.000 1.002 350 E CA -0.638 55.790 56.400 0.047 0.000 0.841 350 E CB 1.652 31.410 29.700 0.096 0.000 1.109 350 E HN 0.564 nan 8.360 nan 0.000 0.394 351 G N 1.079 109.881 108.800 0.003 0.000 2.606 351 G HA2 0.184 4.144 3.960 -0.001 0.000 0.300 351 G HA3 0.184 4.144 3.960 -0.001 0.000 0.300 351 G C -1.465 173.414 174.900 -0.035 0.000 1.360 351 G CA -0.729 44.366 45.100 -0.009 0.000 0.783 351 G HN 0.484 nan 8.290 nan 0.000 0.484 352 E N -0.264 119.912 120.200 -0.040 0.000 2.289 352 E HA 0.369 4.718 4.350 -0.001 0.000 0.278 352 E C -0.636 175.919 176.600 -0.076 0.000 1.032 352 E CA -0.661 55.709 56.400 -0.051 0.000 0.854 352 E CB 1.203 30.876 29.700 -0.045 0.000 1.046 352 E HN 0.350 nan 8.360 nan 0.000 0.409 353 L N 7.083 128.257 121.223 -0.082 0.000 2.418 353 L HA 0.254 4.593 4.340 -0.001 0.000 0.274 353 L C -0.527 176.329 176.870 -0.023 0.000 1.135 353 L CA 0.267 55.058 54.840 -0.081 0.000 0.870 353 L CB 0.251 42.239 42.059 -0.118 0.000 1.154 353 L HN 0.440 nan 8.230 nan 0.000 0.462 354 I N 4.304 124.874 120.570 -0.000 0.000 2.603 354 I HA 0.788 4.957 4.170 -0.001 0.000 0.300 354 I C -0.664 175.632 176.117 0.299 0.000 1.017 354 I CA -0.991 60.366 61.300 0.095 0.000 1.098 354 I CB 2.047 40.050 38.000 0.005 0.000 1.279 354 I HN 0.445 nan 8.210 nan 0.000 0.437 355 V N 2.397 122.578 119.914 0.445 0.000 2.735 355 V HA 0.897 5.016 4.120 -0.001 0.000 0.310 355 V C 0.382 176.731 176.094 0.426 0.000 1.061 355 V CA -0.579 61.999 62.300 0.465 0.000 0.913 355 V CB 1.279 33.297 31.823 0.326 0.000 1.005 355 V HN 1.162 nan 8.190 nan 0.000 0.428 356 A N 3.506 126.392 122.820 0.111 0.000 2.540 356 A HA 0.630 4.950 4.320 -0.001 0.000 0.239 356 A C 0.794 178.288 177.584 -0.149 0.000 1.061 356 A CA 0.355 52.138 52.037 -0.423 0.000 0.758 356 A CB 0.070 18.705 19.000 -0.609 0.000 0.991 356 A HN 2.358 nan 8.150 nan 0.000 0.502 357 A N 3.392 126.106 122.820 -0.177 0.000 2.621 357 A HA 0.558 4.877 4.320 -0.001 0.000 0.329 357 A C 0.861 178.369 177.584 -0.127 0.000 1.458 357 A CA 0.174 52.171 52.037 -0.067 0.000 1.052 357 A CB -0.674 18.330 19.000 0.007 0.000 1.142 357 A HN 1.458 nan 8.150 nan 0.000 0.523 358 S N 0.964 116.595 115.700 -0.115 0.000 3.362 358 S HA 0.371 4.841 4.470 -0.001 0.000 0.235 358 S C 0.613 175.151 174.600 -0.105 0.000 1.026 358 S CA -0.007 58.126 58.200 -0.112 0.000 1.257 358 S CB 0.021 63.159 63.200 -0.103 0.000 1.187 358 S HN 0.345 nan 8.310 nan 0.000 0.660 359 D N 2.076 122.416 120.400 -0.100 0.000 2.133 359 D HA -0.098 4.541 4.640 -0.001 0.000 0.195 359 D C 2.194 178.400 176.300 -0.157 0.000 0.997 359 D CA 2.044 55.976 54.000 -0.113 0.000 0.840 359 D CB -0.631 40.105 40.800 -0.107 0.000 0.947 359 D HN 0.587 nan 8.370 nan 0.000 0.452 360 S N -0.257 115.319 115.700 -0.206 0.000 2.522 360 S HA 0.182 4.651 4.470 -0.001 0.000 0.227 360 S C 1.020 175.494 174.600 -0.209 0.000 0.986 360 S CA 0.192 58.234 58.200 -0.263 0.000 0.929 360 S CB -0.068 62.936 63.200 -0.327 0.000 0.769 360 S HN 0.233 nan 8.310 nan 0.000 0.529 361 A N 1.982 124.720 122.820 -0.137 0.000 2.407 361 A HA 0.523 4.843 4.320 -0.001 0.000 0.248 361 A C 0.230 177.810 177.584 -0.007 0.000 1.082 361 A CA -0.814 51.184 52.037 -0.063 0.000 0.785 361 A CB -0.342 18.637 19.000 -0.035 0.000 1.020 361 A HN 0.706 nan 8.150 nan 0.000 0.489 362 F N 1.051 120.845 119.950 -0.259 0.000 2.444 362 F HA 0.433 4.961 4.527 0.000 0.000 0.331 362 F C 1.001 176.688 175.800 -0.188 0.000 1.167 362 F CA -0.510 57.358 58.000 -0.221 0.000 1.262 362 F CB 0.688 39.520 39.000 -0.280 0.000 1.196 362 F HN 0.334 nan 8.300 nan 0.000 0.583 363 V N -0.342 119.342 119.914 -0.383 0.000 3.444 363 V HA 0.703 4.823 4.120 -0.001 0.000 0.308 363 V C 0.474 176.230 176.094 -0.564 0.000 1.371 363 V CA 0.243 62.279 62.300 -0.439 0.000 1.141 363 V CB -1.010 30.690 31.823 -0.204 0.000 1.037 363 V HN 1.558 nan 8.190 nan 0.000 0.433 364 G N -0.686 107.564 108.800 -0.916 0.000 2.351 364 G HA2 0.157 4.116 3.960 -0.001 0.000 0.353 364 G HA3 0.157 4.116 3.960 -0.001 0.000 0.353 364 G C -1.512 173.266 174.900 -0.203 0.000 1.358 364 G CA -0.850 43.860 45.100 -0.650 0.000 0.995 364 G HN 0.170 nan 8.290 nan 0.000 0.611 365 Y N -0.181 120.211 120.300 0.152 0.000 2.341 365 Y HA 0.552 5.102 4.550 -0.001 0.000 0.340 365 Y C 0.954 176.885 175.900 0.052 0.000 0.997 365 Y CA -0.817 57.372 58.100 0.147 0.000 1.149 365 Y CB 1.581 40.137 38.460 0.160 0.000 1.171 365 Y HN 0.629 nan 8.280 nan 0.000 0.494 366 L N 5.565 126.886 121.223 0.164 0.000 2.601 366 L HA -0.031 4.309 4.340 -0.001 0.000 0.277 366 L C 0.440 177.365 176.870 0.092 0.000 1.219 366 L CA 0.486 55.377 54.840 0.085 0.000 0.915 366 L CB -0.184 41.901 42.059 0.044 0.000 1.160 366 L HN 0.788 nan 8.230 nan 0.000 0.494 367 N N 3.142 121.883 118.700 0.069 0.000 2.714 367 N HA -0.251 4.488 4.740 -0.001 0.000 0.250 367 N C -0.540 175.013 175.510 0.071 0.000 1.117 367 N CA 1.296 54.381 53.050 0.059 0.000 0.719 367 N CB -1.095 37.421 38.487 0.048 0.000 1.081 367 N HN 0.814 nan 8.380 nan 0.000 0.557 368 Q N -1.309 118.553 119.800 0.104 0.000 3.300 368 Q HA 0.219 4.559 4.340 -0.001 0.000 0.271 368 Q C -1.954 174.132 176.000 0.142 0.000 0.926 368 Q CA -1.322 54.549 55.803 0.115 0.000 0.788 368 Q CB 1.397 30.204 28.738 0.116 0.000 1.385 368 Q HN 0.049 nan 8.270 nan 0.000 0.424 369 P HA -0.219 nan 4.420 nan 0.000 0.218 369 P C 1.466 178.822 177.300 0.094 0.000 1.149 369 P CA 1.397 64.546 63.100 0.081 0.000 0.817 369 P CB 0.388 32.117 31.700 0.048 0.000 0.785 370 Q N 0.128 119.979 119.800 0.086 0.000 2.046 370 Q HA -0.074 4.266 4.340 -0.001 0.000 0.200 370 Q C 2.346 178.416 176.000 0.117 0.000 0.975 370 Q CA 2.119 57.971 55.803 0.081 0.000 0.836 370 Q CB -1.895 26.877 28.738 0.057 0.000 0.896 370 Q HN 0.287 nan 8.270 nan 0.000 0.428 371 A N 0.560 123.465 122.820 0.142 0.000 1.902 371 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 371 A C 2.560 180.383 177.584 0.398 0.000 1.181 371 A CA 2.341 54.495 52.037 0.195 0.000 0.623 371 A CB -1.010 18.026 19.000 0.061 0.000 0.818 371 A HN 0.571 nan 8.150 nan 0.000 0.443 372 T N 0.507 115.325 114.554 0.440 0.000 2.720 372 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 372 T C 2.177 176.990 174.700 0.188 0.000 1.037 372 T CA 1.756 64.041 62.100 0.310 0.000 1.144 372 T CB -0.499 68.439 68.868 0.116 0.000 0.864 372 T HN 0.622 nan 8.240 nan 0.000 0.444 373 A N 1.490 124.396 122.820 0.142 0.000 1.933 373 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 373 A C 2.142 179.795 177.584 0.115 0.000 1.175 373 A CA 1.546 53.643 52.037 0.100 0.000 0.628 373 A CB -0.511 18.534 19.000 0.074 0.000 0.814 373 A HN 0.586 nan 8.150 nan 0.000 0.444 374 E N -0.818 119.466 120.200 0.140 0.000 2.347 374 E HA -0.095 4.254 4.350 -0.001 0.000 0.196 374 E C 1.568 178.255 176.600 0.144 0.000 1.008 374 E CA 0.760 57.234 56.400 0.123 0.000 0.852 374 E CB 0.113 29.880 29.700 0.112 0.000 0.783 374 E HN 0.363 nan 8.360 nan 0.000 0.505 375 K N -0.268 120.270 120.400 0.230 0.000 2.344 375 K HA 0.195 4.515 4.320 -0.001 0.000 0.200 375 K C 0.481 177.261 176.600 0.300 0.000 1.132 375 K CA 0.220 56.678 56.287 0.284 0.000 0.935 375 K CB 0.625 33.474 32.500 0.583 0.000 1.089 375 K HN 0.061 nan 8.250 nan 0.000 0.496 376 L N 3.064 124.435 121.223 0.246 0.000 2.272 376 L HA 0.276 4.615 4.340 -0.001 0.000 0.284 376 L C -0.597 176.347 176.870 0.122 0.000 1.045 376 L CA -0.162 54.780 54.840 0.170 0.000 0.842 376 L CB 0.931 42.990 42.059 0.000 0.000 1.224 376 L HN -0.043 nan 8.230 nan 0.000 0.430 377 Q N 3.220 123.116 119.800 0.160 0.000 2.309 377 Q HA 0.204 4.543 4.340 -0.001 0.000 0.270 377 Q C -0.806 175.316 176.000 0.204 0.000 1.023 377 Q CA -0.787 55.102 55.803 0.144 0.000 0.758 377 Q CB 2.039 30.849 28.738 0.120 0.000 1.247 377 Q HN 0.483 nan 8.270 nan 0.000 0.455 378 D N 2.142 122.631 120.400 0.148 0.000 2.701 378 D HA -0.230 4.410 4.640 -0.001 0.000 0.235 378 D C 0.674 177.084 176.300 0.184 0.000 1.155 378 D CA 1.492 55.591 54.000 0.165 0.000 0.649 378 D CB -0.924 39.991 40.800 0.192 0.000 1.050 378 D HN 1.155 nan 8.370 nan 0.000 0.425 379 G N -1.517 107.321 108.800 0.064 0.000 2.143 379 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.249 379 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.249 379 G C -0.145 174.591 174.900 -0.274 0.000 0.981 379 G CA 0.330 45.357 45.100 -0.122 0.000 0.665 379 G HN 0.339 nan 8.290 nan 0.000 0.528 380 W N -0.905 120.433 121.300 0.064 0.000 2.761 380 W HA 0.696 5.356 4.660 -0.001 0.000 0.340 380 W C -0.136 176.474 176.519 0.151 0.000 1.072 380 W CA -1.545 55.856 57.345 0.093 0.000 1.215 380 W CB 0.988 30.485 29.460 0.060 0.000 1.420 380 W HN 0.164 nan 8.180 nan 0.000 0.519 381 Y N 2.988 123.470 120.300 0.303 0.000 2.328 381 Y HA 0.498 5.048 4.550 -0.001 0.000 0.337 381 Y C 0.140 176.180 175.900 0.234 0.000 1.008 381 Y CA -1.344 56.905 58.100 0.248 0.000 1.129 381 Y CB 0.745 39.331 38.460 0.209 0.000 1.185 381 Y HN 0.320 nan 8.280 nan 0.000 0.476 382 R N 4.393 124.535 120.500 -0.596 0.000 2.210 382 R HA 0.105 4.445 4.340 -0.001 0.000 0.338 382 R C 1.197 176.954 176.300 -0.906 0.000 1.062 382 R CA 0.534 56.324 56.100 -0.517 0.000 0.902 382 R CB 0.671 30.834 30.300 -0.230 0.000 1.050 382 R HN 0.953 nan 8.270 nan 0.000 0.461 383 T N -1.178 113.095 114.554 -0.467 0.000 2.915 383 T HA -0.126 4.224 4.350 -0.001 0.000 0.269 383 T C 1.014 175.689 174.700 -0.042 0.000 1.071 383 T CA 0.906 62.920 62.100 -0.143 0.000 1.132 383 T CB -0.044 68.921 68.868 0.161 0.000 0.878 383 T HN 0.565 nan 8.240 nan 0.000 0.479 384 S N 0.935 116.596 115.700 -0.066 0.000 3.490 384 S HA -0.113 4.357 4.470 -0.001 0.000 0.301 384 S C -0.544 174.074 174.600 0.030 0.000 1.233 384 S CA 0.752 58.949 58.200 -0.007 0.000 0.914 384 S CB -1.526 61.683 63.200 0.015 0.000 1.047 384 S HN 0.762 nan 8.310 nan 0.000 0.602 385 D N 0.763 121.184 120.400 0.035 0.000 2.192 385 D HA 0.506 5.146 4.640 -0.001 0.000 0.246 385 D C 0.156 176.442 176.300 -0.023 0.000 1.042 385 D CA -0.283 53.738 54.000 0.035 0.000 0.847 385 D CB 1.757 42.613 40.800 0.093 0.000 1.186 385 D HN 0.112 nan 8.370 nan 0.000 0.461 386 V N 1.235 121.125 119.914 -0.040 0.000 2.546 386 V HA 0.694 4.814 4.120 -0.001 0.000 0.284 386 V C 0.464 176.459 176.094 -0.166 0.000 1.050 386 V CA -0.302 61.956 62.300 -0.069 0.000 0.981 386 V CB 1.033 32.859 31.823 0.005 0.000 0.990 386 V HN 0.724 nan 8.190 nan 0.000 0.474 387 A N 3.985 126.706 122.820 -0.166 0.000 2.594 387 A HA 0.916 5.235 4.320 -0.001 0.000 0.291 387 A C -1.276 176.189 177.584 -0.199 0.000 1.105 387 A CA -0.630 51.267 52.037 -0.234 0.000 0.694 387 A CB 2.233 21.039 19.000 -0.323 0.000 1.291 387 A HN 0.939 nan 8.150 nan 0.000 0.410 388 V N -0.347 119.432 119.914 -0.224 0.000 2.925 388 V HA 0.649 4.769 4.120 -0.001 0.000 0.311 388 V C -1.835 174.148 176.094 -0.185 0.000 1.104 388 V CA -0.759 61.459 62.300 -0.136 0.000 0.954 388 V CB 1.916 33.719 31.823 -0.032 0.000 1.022 388 V HN 0.910 nan 8.190 nan 0.000 0.427 389 W N 4.157 125.441 121.300 -0.027 0.000 2.311 389 W HA 0.511 5.170 4.660 -0.001 0.000 0.310 389 W C 0.997 177.505 176.519 -0.017 0.000 1.274 389 W CA -0.016 57.315 57.345 -0.024 0.000 1.215 389 W CB 1.376 30.824 29.460 -0.019 0.000 1.227 389 W HN 0.765 nan 8.180 nan 0.000 0.523 390 T N 0.823 115.521 114.554 0.240 0.000 2.847 390 T HA 0.249 4.598 4.350 -0.001 0.000 0.279 390 T C -1.250 173.530 174.700 0.134 0.000 0.984 390 T CA -1.490 60.691 62.100 0.135 0.000 0.988 390 T CB 1.242 70.158 68.868 0.081 0.000 1.040 390 T HN 0.246 nan 8.240 nan 0.000 0.528 391 P HA -0.090 nan 4.420 nan 0.000 0.216 391 P C 0.803 178.135 177.300 0.053 0.000 1.150 391 P CA 1.203 64.337 63.100 0.056 0.000 0.837 391 P CB -0.015 31.708 31.700 0.038 0.000 0.786 392 E N -0.849 119.386 120.200 0.059 0.000 2.516 392 E HA 0.192 4.541 4.350 -0.001 0.000 0.199 392 E C 1.333 177.977 176.600 0.073 0.000 1.069 392 E CA 0.758 57.189 56.400 0.051 0.000 0.876 392 E CB -0.969 28.755 29.700 0.040 0.000 0.843 392 E HN 0.321 nan 8.360 nan 0.000 0.530 393 G N 0.978 109.847 108.800 0.115 0.000 2.149 393 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.235 393 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.235 393 G C 0.409 175.516 174.900 0.346 0.000 1.018 393 G CA 0.512 45.703 45.100 0.152 0.000 0.728 393 G HN 0.418 nan 8.290 nan 0.000 0.508 394 T N -3.144 111.605 114.554 0.325 0.000 2.938 394 T HA 0.757 5.106 4.350 -0.001 0.000 0.285 394 T C -0.159 174.576 174.700 0.059 0.000 1.028 394 T CA -0.516 61.721 62.100 0.228 0.000 1.005 394 T CB 2.777 71.685 68.868 0.067 0.000 1.157 394 T HN 0.787 nan 8.240 nan 0.000 0.550 395 V N 1.471 121.243 119.914 -0.237 0.000 2.370 395 V HA 0.510 4.629 4.120 -0.001 0.000 0.283 395 V C 0.349 176.261 176.094 -0.304 0.000 1.023 395 V CA -0.874 61.122 62.300 -0.508 0.000 0.857 395 V CB 1.043 32.432 31.823 -0.724 0.000 0.985 395 V HN 0.874 nan 8.190 nan 0.000 0.443 396 R N 5.332 125.678 120.500 -0.256 0.000 2.229 396 R HA 0.441 4.780 4.340 -0.001 0.000 0.332 396 R C -0.714 175.453 176.300 -0.222 0.000 0.989 396 R CA -0.724 55.267 56.100 -0.181 0.000 0.842 396 R CB 0.668 30.903 30.300 -0.107 0.000 1.119 396 R HN 0.546 nan 8.270 nan 0.000 0.456 397 I N 7.297 127.739 120.570 -0.213 0.000 2.452 397 I HA -0.025 4.144 4.170 -0.001 0.000 0.287 397 I C 1.123 177.133 176.117 -0.178 0.000 1.079 397 I CA 0.279 61.450 61.300 -0.214 0.000 1.387 397 I CB 0.996 38.885 38.000 -0.184 0.000 1.404 397 I HN 0.814 nan 8.210 nan 0.000 0.522 398 L N 5.636 126.705 121.223 -0.257 0.000 2.316 398 L HA 0.371 4.710 4.340 -0.001 0.000 0.207 398 L C 1.105 177.767 176.870 -0.347 0.000 1.070 398 L CA 0.406 55.012 54.840 -0.391 0.000 0.820 398 L CB -0.015 41.588 42.059 -0.761 0.000 0.992 398 L HN 0.844 nan 8.230 nan 0.000 0.466 399 G N -0.715 107.938 108.800 -0.245 0.000 2.327 399 G HA2 0.154 4.113 3.960 -0.001 0.000 0.291 399 G HA3 0.154 4.113 3.960 -0.001 0.000 0.291 399 G C -1.462 173.443 174.900 0.009 0.000 1.290 399 G CA -0.980 44.086 45.100 -0.057 0.000 0.857 399 G HN -0.168 nan 8.290 nan 0.000 0.520 400 R N -0.049 120.491 120.500 0.067 0.000 2.441 400 R HA 0.392 4.731 4.340 -0.001 0.000 0.284 400 R C 1.518 177.872 176.300 0.090 0.000 1.070 400 R CA -0.389 55.754 56.100 0.071 0.000 1.047 400 R CB 1.697 32.037 30.300 0.066 0.000 1.016 400 R HN 0.286 nan 8.270 nan 0.000 0.477 401 V N 4.465 124.421 119.914 0.070 0.000 2.282 401 V HA -0.206 3.914 4.120 -0.001 0.000 0.249 401 V C -0.651 175.476 176.094 0.055 0.000 1.057 401 V CA 1.877 64.217 62.300 0.066 0.000 1.032 401 V CB -1.135 30.711 31.823 0.039 0.000 0.645 401 V HN 0.774 nan 8.190 nan 0.000 0.447 402 P HA -0.116 nan 4.420 nan 0.000 0.220 402 P C 0.699 178.022 177.300 0.038 0.000 1.148 402 P CA 1.367 64.489 63.100 0.036 0.000 0.803 402 P CB -0.071 31.648 31.700 0.032 0.000 0.782 403 D N -1.065 119.365 120.400 0.052 0.000 2.349 403 D HA 0.045 4.684 4.640 -0.001 0.000 0.215 403 D C 1.101 177.432 176.300 0.051 0.000 1.016 403 D CA 0.135 54.165 54.000 0.051 0.000 0.870 403 D CB -0.319 40.517 40.800 0.061 0.000 0.917 403 D HN 0.247 nan 8.370 nan 0.000 0.524 404 M N 1.348 120.983 119.600 0.058 0.000 2.238 404 M HA 0.119 4.599 4.480 -0.001 0.000 0.350 404 M C -0.572 175.711 176.300 -0.028 0.000 1.321 404 M CA 0.346 55.654 55.300 0.013 0.000 1.097 404 M CB 0.470 33.084 32.600 0.023 0.000 1.713 404 M HN -0.229 nan 8.290 nan 0.000 0.455 405 I N 5.996 126.523 120.570 -0.071 0.000 2.460 405 I HA 0.397 4.566 4.170 -0.001 0.000 0.298 405 I C -0.761 175.321 176.117 -0.059 0.000 0.989 405 I CA -0.604 60.666 61.300 -0.049 0.000 1.173 405 I CB 1.695 39.668 38.000 -0.044 0.000 1.338 405 I HN 0.615 nan 8.210 nan 0.000 0.456 406 I N 4.237 124.797 120.570 -0.018 0.000 2.410 406 I HA 0.215 4.384 4.170 -0.001 0.000 0.286 406 I C -0.174 175.971 176.117 0.046 0.000 1.009 406 I CA -0.144 61.158 61.300 0.004 0.000 1.111 406 I CB 1.821 39.824 38.000 0.004 0.000 1.262 406 I HN 0.449 nan 8.210 nan 0.000 0.443 407 S N 5.052 120.795 115.700 0.070 0.000 2.426 407 S HA 0.548 5.018 4.470 -0.001 0.000 0.236 407 S C 0.524 175.273 174.600 0.248 0.000 1.368 407 S CA -0.083 58.198 58.200 0.135 0.000 1.154 407 S CB 0.195 63.402 63.200 0.011 0.000 1.037 407 S HN 1.049 nan 8.310 nan 0.000 0.481 408 G N 2.614 111.564 108.800 0.251 0.000 2.370 408 G HA2 0.052 4.012 3.960 -0.001 0.000 0.295 408 G HA3 0.052 4.012 3.960 -0.001 0.000 0.295 408 G C 1.116 176.079 174.900 0.104 0.000 1.045 408 G CA 0.431 45.663 45.100 0.219 0.000 1.199 408 G HN 1.925 nan 8.290 nan 0.000 0.513 409 G N -1.500 107.327 108.800 0.046 0.000 2.454 409 G HA2 0.309 4.269 3.960 -0.001 0.000 0.225 409 G HA3 0.309 4.269 3.960 -0.001 0.000 0.225 409 G C 0.577 175.453 174.900 -0.040 0.000 1.138 409 G CA 1.404 46.501 45.100 -0.006 0.000 0.667 409 G HN 2.300 nan 8.290 nan 0.000 0.512 410 E N 1.240 121.398 120.200 -0.071 0.000 2.200 410 E HA 0.622 4.972 4.350 -0.001 0.000 0.283 410 E C -0.066 176.528 176.600 -0.010 0.000 1.015 410 E CA -0.383 55.937 56.400 -0.134 0.000 0.819 410 E CB 0.317 29.722 29.700 -0.492 0.000 1.081 410 E HN 0.493 nan 8.360 nan 0.000 0.397 411 N N 1.004 119.700 118.700 -0.007 0.000 2.520 411 N HA 0.433 5.173 4.740 -0.001 0.000 0.273 411 N C -0.568 174.898 175.510 -0.073 0.000 1.155 411 N CA -0.140 52.875 53.050 -0.058 0.000 0.967 411 N CB 0.815 39.260 38.487 -0.070 0.000 1.092 411 N HN 0.598 nan 8.380 nan 0.000 0.457 412 I N 1.830 122.266 120.570 -0.223 0.000 2.499 412 I HA 0.176 4.345 4.170 -0.001 0.000 0.288 412 I C -0.714 175.195 176.117 -0.346 0.000 1.048 412 I CA -0.713 60.481 61.300 -0.175 0.000 1.062 412 I CB 1.661 39.637 38.000 -0.040 0.000 1.238 412 I HN 0.318 nan 8.210 nan 0.000 0.426 413 H N 7.020 126.100 119.070 0.017 0.000 2.638 413 H HA 0.221 4.776 4.556 -0.001 0.000 0.303 413 H C -1.855 173.469 175.328 -0.006 0.000 1.034 413 H CA -1.834 54.218 56.048 0.008 0.000 1.225 413 H CB 1.583 31.351 29.762 0.011 0.000 1.394 413 H HN 0.364 nan 8.280 nan 0.000 0.477 414 P HA -0.190 nan 4.420 nan 0.000 0.217 414 P C 1.422 178.750 177.300 0.047 0.000 1.148 414 P CA 1.162 64.284 63.100 0.036 0.000 0.828 414 P CB 0.267 31.983 31.700 0.027 0.000 0.783 415 S N 0.141 115.883 115.700 0.069 0.000 2.400 415 S HA -0.208 4.262 4.470 -0.001 0.000 0.232 415 S C 2.099 176.727 174.600 0.046 0.000 1.025 415 S CA 1.144 59.375 58.200 0.053 0.000 0.993 415 S CB -1.102 62.128 63.200 0.049 0.000 0.808 415 S HN 0.267 nan 8.310 nan 0.000 0.478 416 E N 1.281 121.514 120.200 0.056 0.000 2.047 416 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 416 E C 1.970 178.585 176.600 0.025 0.000 0.987 416 E CA 1.337 57.759 56.400 0.038 0.000 0.799 416 E CB -0.230 29.495 29.700 0.043 0.000 0.752 416 E HN 0.633 nan 8.360 nan 0.000 0.449 417 I N 0.859 121.438 120.570 0.015 0.000 2.315 417 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 417 I C 2.214 178.352 176.117 0.035 0.000 1.117 417 I CA 1.028 62.333 61.300 0.009 0.000 1.404 417 I CB -0.245 37.740 38.000 -0.025 0.000 1.071 417 I HN 0.105 nan 8.210 nan 0.000 0.419 418 E N 0.800 121.019 120.200 0.032 0.000 2.110 418 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 418 E C 2.354 178.981 176.600 0.044 0.000 0.988 418 E CA 1.001 57.423 56.400 0.037 0.000 0.804 418 E CB -0.034 29.685 29.700 0.031 0.000 0.745 418 E HN 0.411 nan 8.360 nan 0.000 0.458 419 R N 0.190 120.717 120.500 0.044 0.000 2.092 419 R HA -0.087 4.253 4.340 -0.001 0.000 0.231 419 R C 2.378 178.723 176.300 0.074 0.000 1.119 419 R CA 0.942 57.072 56.100 0.049 0.000 0.970 419 R CB -0.192 30.132 30.300 0.041 0.000 0.864 419 R HN 0.070 nan 8.270 nan 0.000 0.440 420 V N 1.468 121.437 119.914 0.091 0.000 2.244 420 V HA -0.208 3.912 4.120 -0.001 0.000 0.244 420 V C 2.303 178.542 176.094 0.241 0.000 1.042 420 V CA 1.580 63.977 62.300 0.162 0.000 1.006 420 V CB -0.394 31.507 31.823 0.129 0.000 0.641 420 V HN 0.266 nan 8.190 nan 0.000 0.446 421 L N 0.584 121.905 121.223 0.164 0.000 2.191 421 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 421 L C 2.480 179.336 176.870 -0.023 0.000 1.103 421 L CA 1.474 56.367 54.840 0.088 0.000 0.769 421 L CB -0.905 41.215 42.059 0.101 0.000 0.908 421 L HN 0.505 nan 8.230 nan 0.000 0.438 422 G N -0.882 107.926 108.800 0.013 0.000 2.509 422 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 422 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 422 G C 1.595 176.476 174.900 -0.032 0.000 1.124 422 G CA 1.098 46.191 45.100 -0.011 0.000 0.776 422 G HN 0.465 nan 8.290 nan 0.000 0.547 423 T N -1.824 112.728 114.554 -0.004 0.000 3.081 423 T HA 0.530 4.879 4.350 -0.001 0.000 0.255 423 T C 1.280 175.875 174.700 -0.175 0.000 1.113 423 T CA 0.469 62.578 62.100 0.014 0.000 1.082 423 T CB 0.119 69.088 68.868 0.168 0.000 0.939 423 T HN 0.335 nan 8.240 nan 0.000 0.506 424 A N 3.212 125.698 122.820 -0.556 0.000 2.477 424 A HA 0.516 4.835 4.320 -0.001 0.000 0.246 424 A C -2.362 174.928 177.584 -0.490 0.000 1.078 424 A CA -1.324 50.033 52.037 -1.133 0.000 0.770 424 A CB -0.225 18.028 19.000 -1.245 0.000 1.011 424 A HN 0.289 nan 8.150 nan 0.000 0.494 425 P HA 0.320 nan 4.420 nan 0.000 0.271 425 P C 0.976 178.185 177.300 -0.153 0.000 1.216 425 P CA 1.459 64.456 63.100 -0.171 0.000 0.771 425 P CB 0.804 32.446 31.700 -0.098 0.000 0.864 426 G N 1.246 109.985 108.800 -0.101 0.000 2.179 426 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.260 426 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.260 426 G C 0.005 174.857 174.900 -0.079 0.000 0.977 426 G CA -0.158 44.894 45.100 -0.079 0.000 0.641 426 G HN 0.534 nan 8.290 nan 0.000 0.533 427 V N 0.848 120.701 119.914 -0.101 0.000 2.406 427 V HA 0.600 4.720 4.120 -0.001 0.000 0.272 427 V C 1.303 177.368 176.094 -0.049 0.000 1.043 427 V CA 0.892 63.145 62.300 -0.078 0.000 0.915 427 V CB 1.429 33.189 31.823 -0.105 0.000 0.988 427 V HN 0.341 nan 8.190 nan 0.000 0.466 428 T N 3.620 118.158 114.554 -0.027 0.000 3.015 428 T HA 0.228 4.577 4.350 -0.001 0.000 0.250 428 T C 0.370 175.067 174.700 -0.005 0.000 1.057 428 T CA 0.429 62.520 62.100 -0.014 0.000 1.066 428 T CB 0.044 68.907 68.868 -0.008 0.000 0.959 428 T HN 0.737 nan 8.240 nan 0.000 0.488 429 E N 0.074 120.274 120.200 -0.000 0.000 2.381 429 E HA 0.509 4.858 4.350 -0.001 0.000 0.286 429 E C -2.227 174.384 176.600 0.018 0.000 0.960 429 E CA -0.556 55.849 56.400 0.009 0.000 0.793 429 E CB 2.497 32.204 29.700 0.012 0.000 1.225 429 E HN 0.040 nan 8.360 nan 0.000 0.420 430 V N 4.259 124.186 119.914 0.022 0.000 2.777 430 V HA 0.590 4.709 4.120 -0.001 0.000 0.306 430 V C -1.738 174.374 176.094 0.030 0.000 1.112 430 V CA -0.389 61.931 62.300 0.034 0.000 0.917 430 V CB 1.903 33.749 31.823 0.039 0.000 1.018 430 V HN 0.452 nan 8.190 nan 0.000 0.426 431 V N 6.753 126.686 119.914 0.032 0.000 2.540 431 V HA 0.576 4.696 4.120 -0.001 0.000 0.302 431 V C -0.367 175.739 176.094 0.020 0.000 1.035 431 V CA -0.639 61.675 62.300 0.024 0.000 0.873 431 V CB 2.006 33.841 31.823 0.020 0.000 0.992 431 V HN 0.678 nan 8.190 nan 0.000 0.428 432 V N 6.457 126.377 119.914 0.010 0.000 2.398 432 V HA 0.591 4.710 4.120 -0.001 0.000 0.286 432 V C -0.123 175.967 176.094 -0.006 0.000 1.026 432 V CA -0.299 61.995 62.300 -0.010 0.000 0.868 432 V CB 1.374 33.182 31.823 -0.024 0.000 0.982 432 V HN 0.807 nan 8.190 nan 0.000 0.443 433 I N 1.739 122.304 120.570 -0.008 0.000 3.002 433 I HA 0.976 5.145 4.170 -0.001 0.000 0.310 433 I C 0.306 176.417 176.117 -0.010 0.000 1.087 433 I CA -0.960 60.337 61.300 -0.004 0.000 1.017 433 I CB 2.335 40.335 38.000 0.000 0.000 1.226 433 I HN 0.582 nan 8.210 nan 0.000 0.443 434 G N 3.847 112.643 108.800 -0.006 0.000 2.384 434 G HA2 0.618 4.577 3.960 -0.001 0.000 0.316 434 G HA3 0.618 4.577 3.960 -0.001 0.000 0.316 434 G C -0.680 174.227 174.900 0.012 0.000 1.160 434 G CA -0.627 44.470 45.100 -0.004 0.000 0.936 434 G HN 0.544 nan 8.290 nan 0.000 0.455 435 L N 1.851 123.089 121.223 0.025 0.000 2.395 435 L HA 0.480 4.819 4.340 -0.001 0.000 0.269 435 L C 1.193 178.089 176.870 0.044 0.000 1.133 435 L CA -0.798 54.065 54.840 0.039 0.000 0.812 435 L CB 1.366 43.466 42.059 0.069 0.000 1.125 435 L HN 0.582 nan 8.230 nan 0.000 0.452 436 A N 2.148 124.992 122.820 0.041 0.000 2.520 436 A HA 0.222 4.541 4.320 -0.001 0.000 0.245 436 A C -0.384 177.236 177.584 0.061 0.000 1.072 436 A CA 0.165 52.229 52.037 0.045 0.000 0.761 436 A CB 0.008 19.028 19.000 0.034 0.000 1.004 436 A HN 0.728 nan 8.150 nan 0.000 0.499 437 D N 1.180 121.624 120.400 0.074 0.000 2.934 437 D HA 0.297 4.936 4.640 -0.001 0.000 0.230 437 D C -0.627 175.721 176.300 0.079 0.000 1.204 437 D CA -0.291 53.766 54.000 0.095 0.000 0.873 437 D CB 1.528 42.420 40.800 0.152 0.000 1.645 437 D HN 0.530 nan 8.370 nan 0.000 0.502 438 Q N 1.746 121.581 119.800 0.060 0.000 2.302 438 Q HA 0.362 4.701 4.340 -0.001 0.000 0.332 438 Q C 0.885 176.892 176.000 0.011 0.000 0.913 438 Q CA -0.083 55.740 55.803 0.034 0.000 1.098 438 Q CB 1.215 29.966 28.738 0.021 0.000 1.236 438 Q HN 0.515 nan 8.270 nan 0.000 0.436 439 R N -0.985 119.526 120.500 0.018 0.000 3.578 439 R HA 0.088 4.428 4.340 -0.001 0.000 0.131 439 R C 0.867 177.095 176.300 -0.120 0.000 0.722 439 R CA -0.012 56.043 56.100 -0.075 0.000 1.328 439 R CB -0.698 29.541 30.300 -0.102 0.000 1.650 439 R HN 0.394 nan 8.270 nan 0.000 0.485 440 W N 0.363 121.668 121.300 0.008 0.000 2.770 440 W HA 0.331 4.990 4.660 -0.001 0.000 0.256 440 W C 1.769 178.292 176.519 0.006 0.000 1.291 440 W CA 1.451 58.802 57.345 0.010 0.000 1.396 440 W CB 1.046 30.516 29.460 0.017 0.000 1.114 440 W HN 0.816 nan 8.180 nan 0.000 0.637 441 G N -0.390 108.532 108.800 0.204 0.000 3.079 441 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.214 441 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.214 441 G C 0.246 175.214 174.900 0.114 0.000 1.335 441 G CA 0.148 45.324 45.100 0.127 0.000 0.822 441 G HN 0.228 nan 8.290 nan 0.000 0.545 442 Q N 0.032 119.912 119.800 0.133 0.000 2.309 442 Q HA 0.585 4.924 4.340 -0.001 0.000 0.273 442 Q C -1.403 174.638 176.000 0.068 0.000 1.040 442 Q CA -0.273 55.580 55.803 0.083 0.000 0.834 442 Q CB 2.285 31.049 28.738 0.044 0.000 1.345 442 Q HN 0.326 nan 8.270 nan 0.000 0.414 443 S N 1.683 117.408 115.700 0.042 0.000 2.422 443 S HA 0.379 4.848 4.470 -0.001 0.000 0.308 443 S C -0.211 174.352 174.600 -0.061 0.000 1.097 443 S CA -0.663 57.523 58.200 -0.023 0.000 1.099 443 S CB 0.378 63.592 63.200 0.023 0.000 0.976 443 S HN 0.431 nan 8.310 nan 0.000 0.471 444 V N 4.415 124.252 119.914 -0.128 0.000 2.529 444 V HA 0.566 4.685 4.120 -0.001 0.000 0.292 444 V C 0.013 176.018 176.094 -0.149 0.000 1.028 444 V CA -0.079 62.144 62.300 -0.127 0.000 1.074 444 V CB 0.346 32.076 31.823 -0.154 0.000 0.958 444 V HN 0.776 nan 8.190 nan 0.000 0.481 445 T N 4.437 118.924 114.554 -0.112 0.000 2.886 445 T HA 0.770 5.119 4.350 -0.001 0.000 0.292 445 T C -0.128 174.499 174.700 -0.122 0.000 1.012 445 T CA 0.060 62.091 62.100 -0.114 0.000 0.982 445 T CB 1.650 70.552 68.868 0.057 0.000 1.018 445 T HN 1.311 nan 8.240 nan 0.000 0.451 446 A N 1.518 124.184 122.820 -0.257 0.000 2.276 446 A HA 0.637 4.957 4.320 -0.001 0.000 0.316 446 A C -0.127 177.485 177.584 0.047 0.000 1.229 446 A CA -0.632 51.315 52.037 -0.149 0.000 0.851 446 A CB 0.211 19.047 19.000 -0.273 0.000 1.165 446 A HN 0.987 nan 8.150 nan 0.000 0.513 447 C N 3.029 122.388 119.300 0.100 0.000 2.264 447 C HA 0.630 5.089 4.460 -0.001 0.000 0.324 447 C C 0.051 175.111 174.990 0.117 0.000 1.267 447 C CA -0.529 58.579 59.018 0.151 0.000 1.618 447 C CB -0.213 27.588 27.740 0.101 0.000 2.278 447 C HN 0.614 nan 8.230 nan 0.000 0.499 448 V N 4.360 124.357 119.914 0.139 0.000 2.588 448 V HA 0.545 4.664 4.120 -0.001 0.000 0.304 448 V C -0.317 175.818 176.094 0.068 0.000 1.042 448 V CA -0.531 61.829 62.300 0.100 0.000 0.877 448 V CB 1.797 33.694 31.823 0.123 0.000 0.996 448 V HN 0.600 nan 8.190 nan 0.000 0.425 449 V N 6.578 126.515 119.914 0.039 0.000 2.370 449 V HA 0.434 4.553 4.120 -0.001 0.000 0.283 449 V C -2.120 173.977 176.094 0.006 0.000 1.023 449 V CA -1.766 60.549 62.300 0.024 0.000 0.857 449 V CB 1.907 33.741 31.823 0.019 0.000 0.985 449 V HN 0.746 nan 8.190 nan 0.000 0.443 450 P HA 0.285 nan 4.420 nan 0.000 0.277 450 P C -0.361 176.931 177.300 -0.012 0.000 1.240 450 P CA -0.576 62.516 63.100 -0.013 0.000 0.798 450 P CB 0.909 32.602 31.700 -0.013 0.000 0.979 451 R N 0.834 121.322 120.500 -0.020 0.000 2.734 451 R HA 0.099 4.439 4.340 -0.001 0.000 0.266 451 R C 0.362 176.655 176.300 -0.012 0.000 1.044 451 R CA -0.757 55.334 56.100 -0.016 0.000 1.128 451 R CB -0.186 30.102 30.300 -0.021 0.000 1.010 451 R HN 0.454 nan 8.270 nan 0.000 0.461 452 L N 2.105 123.323 121.223 -0.008 0.000 2.700 452 L HA -0.065 4.275 4.340 -0.001 0.000 0.276 452 L C 1.166 178.031 176.870 -0.008 0.000 1.200 452 L CA 2.057 56.893 54.840 -0.006 0.000 0.951 452 L CB -0.119 41.938 42.059 -0.004 0.000 1.226 452 L HN 0.958 nan 8.230 nan 0.000 0.489 453 G N 2.339 111.135 108.800 -0.007 0.000 2.225 453 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.254 453 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.254 453 G C 0.328 175.222 174.900 -0.010 0.000 0.988 453 G CA 0.225 45.321 45.100 -0.007 0.000 0.625 453 G HN 0.619 nan 8.290 nan 0.000 0.527 454 E N 1.309 121.501 120.200 -0.014 0.000 2.318 454 E HA 0.546 4.895 4.350 -0.001 0.000 0.265 454 E C 0.566 177.154 176.600 -0.019 0.000 1.069 454 E CA 0.549 56.937 56.400 -0.019 0.000 0.893 454 E CB 1.216 30.901 29.700 -0.025 0.000 1.076 454 E HN 0.574 nan 8.360 nan 0.000 0.414 455 T N -0.801 113.739 114.554 -0.024 0.000 2.856 455 T HA 0.705 5.054 4.350 -0.001 0.000 0.283 455 T C 0.167 174.844 174.700 -0.039 0.000 1.008 455 T CA -0.822 61.263 62.100 -0.025 0.000 0.997 455 T CB 0.750 69.606 68.868 -0.021 0.000 0.992 455 T HN 0.200 nan 8.240 nan 0.000 0.454 456 L N 2.218 123.416 121.223 -0.043 0.000 2.322 456 L HA 0.796 5.136 4.340 -0.001 0.000 0.269 456 L C 0.374 177.197 176.870 -0.077 0.000 1.012 456 L CA -0.962 53.837 54.840 -0.069 0.000 0.815 456 L CB 2.156 44.172 42.059 -0.072 0.000 1.295 456 L HN 0.992 nan 8.230 nan 0.000 0.438 457 S N -0.116 115.515 115.700 -0.115 0.000 2.548 457 S HA 0.607 5.076 4.470 -0.001 0.000 0.286 457 S C 0.430 174.891 174.600 -0.230 0.000 1.098 457 S CA -0.154 57.970 58.200 -0.127 0.000 0.930 457 S CB 1.876 65.020 63.200 -0.093 0.000 1.070 457 S HN 0.716 nan 8.310 nan 0.000 0.480 458 A N 1.916 124.595 122.820 -0.235 0.000 1.940 458 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 458 A C 1.667 179.038 177.584 -0.355 0.000 1.176 458 A CA 2.017 53.820 52.037 -0.389 0.000 0.631 458 A CB -1.048 17.871 19.000 -0.134 0.000 0.814 458 A HN 0.877 nan 8.150 nan 0.000 0.446 459 D N 0.043 120.335 120.400 -0.181 0.000 2.084 459 D HA -0.064 4.575 4.640 -0.001 0.000 0.194 459 D C 2.312 178.541 176.300 -0.118 0.000 0.990 459 D CA 1.714 55.645 54.000 -0.115 0.000 0.826 459 D CB -0.569 40.191 40.800 -0.065 0.000 0.971 459 D HN 0.408 nan 8.370 nan 0.000 0.453 460 A N 0.587 123.333 122.820 -0.124 0.000 1.902 460 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 460 A C 2.431 179.965 177.584 -0.083 0.000 1.181 460 A CA 1.036 53.024 52.037 -0.082 0.000 0.623 460 A CB -0.816 18.137 19.000 -0.078 0.000 0.818 460 A HN 0.213 nan 8.150 nan 0.000 0.443 461 L N -0.681 120.407 121.223 -0.225 0.000 2.093 461 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 461 L C 2.394 179.214 176.870 -0.085 0.000 1.085 461 L CA 1.645 56.342 54.840 -0.238 0.000 0.755 461 L CB -0.563 41.139 42.059 -0.594 0.000 0.904 461 L HN 0.436 nan 8.230 nan 0.000 0.435 462 D N -0.410 119.889 120.400 -0.168 0.000 2.097 462 D HA -0.178 4.461 4.640 -0.001 0.000 0.195 462 D C 2.023 178.354 176.300 0.052 0.000 0.989 462 D CA 1.734 55.755 54.000 0.034 0.000 0.827 462 D CB 0.101 40.920 40.800 0.033 0.000 0.966 462 D HN 0.121 nan 8.370 nan 0.000 0.456 463 T N -0.455 114.115 114.554 0.026 0.000 2.746 463 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 463 T C 1.642 176.377 174.700 0.057 0.000 1.039 463 T CA 1.157 63.276 62.100 0.032 0.000 1.142 463 T CB -0.655 68.225 68.868 0.021 0.000 0.866 463 T HN 0.240 nan 8.240 nan 0.000 0.444 464 F N 1.371 121.298 119.950 -0.038 0.000 2.069 464 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 464 F C 2.558 178.353 175.800 -0.009 0.000 1.113 464 F CA 0.979 58.965 58.000 -0.024 0.000 1.214 464 F CB -0.762 38.221 39.000 -0.029 0.000 0.978 464 F HN 0.152 nan 8.300 nan 0.000 0.474 465 C N 0.927 120.330 119.300 0.172 0.000 2.401 465 C HA -0.204 4.256 4.460 -0.001 0.000 0.276 465 C C 2.824 177.778 174.990 -0.059 0.000 1.233 465 C CA 1.353 60.410 59.018 0.065 0.000 1.753 465 C CB -1.350 26.478 27.740 0.147 0.000 2.029 465 C HN 0.447 nan 8.230 nan 0.000 0.478 466 R N 0.236 120.713 120.500 -0.039 0.000 2.152 466 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 466 R C 2.204 178.446 176.300 -0.097 0.000 1.117 466 R CA 1.307 57.375 56.100 -0.053 0.000 0.981 466 R CB -0.291 29.995 30.300 -0.023 0.000 0.870 466 R HN 0.461 nan 8.270 nan 0.000 0.451 467 S N 0.358 115.961 115.700 -0.162 0.000 2.489 467 S HA -0.027 4.443 4.470 -0.001 0.000 0.228 467 S C 0.967 175.425 174.600 -0.237 0.000 0.995 467 S CA 0.416 58.497 58.200 -0.198 0.000 0.934 467 S CB 0.139 63.190 63.200 -0.248 0.000 0.771 467 S HN 0.408 nan 8.310 nan 0.000 0.522 468 S N 0.955 116.490 115.700 -0.276 0.000 2.686 468 S HA 0.301 4.771 4.470 -0.001 0.000 0.270 468 S C 0.820 175.341 174.600 -0.133 0.000 1.194 468 S CA -0.617 57.438 58.200 -0.241 0.000 0.990 468 S CB 0.457 63.504 63.200 -0.255 0.000 1.029 468 S HN 0.086 nan 8.310 nan 0.000 0.560 469 E N -0.151 119.990 120.200 -0.098 0.000 2.338 469 E HA 0.078 4.428 4.350 -0.001 0.000 0.197 469 E C 0.171 176.729 176.600 -0.071 0.000 1.007 469 E CA 0.106 56.466 56.400 -0.066 0.000 0.849 469 E CB -0.351 29.323 29.700 -0.044 0.000 0.774 469 E HN 0.544 nan 8.360 nan 0.000 0.506 470 L N 1.566 122.736 121.223 -0.089 0.000 2.559 470 L HA -0.049 4.291 4.340 -0.001 0.000 0.274 470 L C 0.634 177.415 176.870 -0.149 0.000 1.205 470 L CA -0.360 54.404 54.840 -0.127 0.000 0.907 470 L CB 0.240 42.222 42.059 -0.127 0.000 1.153 470 L HN -0.044 nan 8.230 nan 0.000 0.490 471 A N 3.124 125.819 122.820 -0.209 0.000 2.498 471 A HA 0.041 4.361 4.320 -0.001 0.000 0.239 471 A C 1.310 178.730 177.584 -0.272 0.000 1.068 471 A CA -0.139 51.784 52.037 -0.190 0.000 0.766 471 A CB 0.186 19.099 19.000 -0.145 0.000 1.003 471 A HN 0.915 nan 8.150 nan 0.000 0.497 472 D N 2.355 122.715 120.400 -0.065 0.000 2.157 472 D HA -0.347 4.293 4.640 -0.001 0.000 0.191 472 D C 1.251 177.505 176.300 -0.077 0.000 1.004 472 D CA 2.362 56.344 54.000 -0.030 0.000 0.854 472 D CB -0.862 39.980 40.800 0.069 0.000 0.936 472 D HN 0.774 nan 8.370 nan 0.000 0.446 473 F N 0.258 120.165 119.950 -0.071 0.000 2.451 473 F HA 0.192 4.719 4.527 -0.001 0.000 0.299 473 F C 2.021 177.717 175.800 -0.174 0.000 1.101 473 F CA 0.303 58.216 58.000 -0.144 0.000 1.436 473 F CB -0.336 38.615 39.000 -0.082 0.000 1.074 473 F HN -0.171 nan 8.300 nan 0.000 0.553 474 K N 0.439 120.398 120.400 -0.734 0.000 2.314 474 K HA 0.077 4.397 4.320 -0.001 0.000 0.198 474 K C 0.547 176.973 176.600 -0.292 0.000 1.045 474 K CA -0.071 55.894 56.287 -0.536 0.000 0.988 474 K CB -0.030 32.100 32.500 -0.617 0.000 0.783 474 K HN 0.103 nan 8.250 nan 0.000 0.484 475 R N 2.091 122.448 120.500 -0.239 0.000 2.538 475 R HA -0.004 4.336 4.340 -0.001 0.000 0.282 475 R C -2.507 173.689 176.300 -0.174 0.000 1.009 475 R CA -1.080 54.933 56.100 -0.145 0.000 1.063 475 R CB -0.101 30.147 30.300 -0.086 0.000 0.945 475 R HN -0.055 nan 8.270 nan 0.000 0.414 476 P HA -0.087 nan 4.420 nan 0.000 0.265 476 P C -0.187 176.961 177.300 -0.253 0.000 1.187 476 P CA 0.251 63.169 63.100 -0.304 0.000 0.766 476 P CB 0.660 32.004 31.700 -0.595 0.000 0.820 477 K N 1.942 122.195 120.400 -0.245 0.000 2.361 477 K HA 0.103 4.423 4.320 -0.001 0.000 0.196 477 K C 0.821 177.339 176.600 -0.137 0.000 1.039 477 K CA 0.683 56.871 56.287 -0.165 0.000 1.001 477 K CB 0.462 32.864 32.500 -0.165 0.000 0.795 477 K HN 0.435 nan 8.250 nan 0.000 0.495 478 R N -0.588 119.760 120.500 -0.253 0.000 2.663 478 R HA 0.291 4.630 4.340 -0.001 0.000 0.267 478 R C -1.782 174.244 176.300 -0.456 0.000 1.038 478 R CA -0.571 55.376 56.100 -0.256 0.000 0.886 478 R CB 1.379 31.540 30.300 -0.232 0.000 1.249 478 R HN -0.157 nan 8.270 nan 0.000 0.463 479 Y N 1.803 121.915 120.300 -0.314 0.000 2.425 479 Y HA 0.499 5.048 4.550 -0.001 0.000 0.344 479 Y C -0.829 174.810 175.900 -0.434 0.000 0.969 479 Y CA -0.517 57.440 58.100 -0.238 0.000 1.052 479 Y CB 1.828 40.209 38.460 -0.131 0.000 1.215 479 Y HN 0.369 nan 8.280 nan 0.000 0.451 480 F N 3.885 123.913 119.950 0.130 0.000 2.477 480 F HA 0.538 5.064 4.527 -0.001 0.000 0.335 480 F C -0.432 175.418 175.800 0.084 0.000 1.130 480 F CA -0.760 57.289 58.000 0.082 0.000 0.948 480 F CB 1.079 40.102 39.000 0.038 0.000 1.154 480 F HN 0.210 nan 8.300 nan 0.000 0.439 481 I N 5.267 125.964 120.570 0.212 0.000 2.325 481 I HA 0.361 4.531 4.170 -0.001 0.000 0.291 481 I C -0.584 175.604 176.117 0.118 0.000 1.019 481 I CA -0.229 61.150 61.300 0.131 0.000 1.302 481 I CB 0.756 38.797 38.000 0.068 0.000 1.401 481 I HN 0.404 nan 8.210 nan 0.000 0.485 482 L N 5.269 126.546 121.223 0.090 0.000 2.354 482 L HA 0.426 4.765 4.340 -0.001 0.000 0.269 482 L C 0.462 177.355 176.870 0.039 0.000 1.005 482 L CA -0.793 54.086 54.840 0.064 0.000 0.819 482 L CB 1.926 44.018 42.059 0.056 0.000 1.311 482 L HN 0.457 nan 8.230 nan 0.000 0.423 483 D N 0.451 120.868 120.400 0.029 0.000 2.144 483 D HA -0.091 4.549 4.640 -0.001 0.000 0.200 483 D C 0.381 176.690 176.300 0.015 0.000 0.978 483 D CA 1.319 55.330 54.000 0.019 0.000 0.833 483 D CB 0.356 41.165 40.800 0.014 0.000 0.961 483 D HN 0.621 nan 8.370 nan 0.000 0.470 484 Q N -1.076 118.732 119.800 0.015 0.000 2.575 484 Q HA 0.455 4.794 4.340 -0.001 0.000 0.290 484 Q C -1.568 174.438 176.000 0.010 0.000 0.963 484 Q CA -0.794 55.016 55.803 0.011 0.000 0.783 484 Q CB 1.149 29.891 28.738 0.008 0.000 1.467 484 Q HN -0.058 nan 8.270 nan 0.000 0.402 485 L N 1.976 123.204 121.223 0.008 0.000 2.295 485 L HA 0.562 4.901 4.340 -0.001 0.000 0.285 485 L C -2.111 174.759 176.870 -0.000 0.000 1.035 485 L CA -2.174 52.668 54.840 0.004 0.000 0.806 485 L CB 1.284 43.348 42.059 0.009 0.000 1.214 485 L HN 0.527 nan 8.230 nan 0.000 0.426 486 P HA 0.162 nan 4.420 nan 0.000 0.271 486 P C -1.117 176.181 177.300 -0.004 0.000 1.233 486 P CA -0.048 63.047 63.100 -0.007 0.000 0.764 486 P CB 0.752 32.443 31.700 -0.015 0.000 0.825 487 K N 2.400 122.799 120.400 -0.001 0.000 2.426 487 K HA 0.263 4.583 4.320 -0.001 0.000 0.251 487 K C 0.474 177.074 176.600 -0.000 0.000 0.941 487 K CA -0.854 55.434 56.287 0.001 0.000 0.808 487 K CB 1.601 34.104 32.500 0.005 0.000 1.265 487 K HN 0.414 nan 8.250 nan 0.000 0.432 488 N N 0.244 118.945 118.700 0.000 0.000 2.262 488 N HA 0.021 4.761 4.740 -0.001 0.000 0.260 488 N C 0.681 176.190 175.510 -0.003 0.000 1.305 488 N CA 0.120 53.168 53.050 -0.003 0.000 0.913 488 N CB 0.095 38.580 38.487 -0.003 0.000 1.116 488 N HN 0.534 nan 8.380 nan 0.000 0.512 489 A N -1.454 121.361 122.820 -0.009 0.000 2.209 489 A HA 0.146 4.465 4.320 -0.001 0.000 0.212 489 A C 0.892 178.472 177.584 -0.005 0.000 1.158 489 A CA 0.923 52.954 52.037 -0.010 0.000 0.742 489 A CB -1.017 17.971 19.000 -0.020 0.000 0.790 489 A HN 0.733 nan 8.150 nan 0.000 0.472 490 L N -4.848 116.375 121.223 -0.001 0.000 2.460 490 L HA 0.531 4.871 4.340 -0.001 0.000 0.275 490 L C -0.916 175.968 176.870 0.024 0.000 1.448 490 L CA -0.447 54.398 54.840 0.008 0.000 0.679 490 L CB 0.084 42.132 42.059 -0.018 0.000 0.945 490 L HN -0.006 nan 8.230 nan 0.000 0.517 491 N N 1.425 120.139 118.700 0.024 0.000 2.605 491 N HA 0.247 4.986 4.740 -0.001 0.000 0.265 491 N C -1.330 174.189 175.510 0.016 0.000 1.625 491 N CA -0.096 52.965 53.050 0.018 0.000 0.862 491 N CB 1.037 39.538 38.487 0.022 0.000 1.415 491 N HN 0.610 nan 8.380 nan 0.000 0.513 492 K N -0.118 120.292 120.400 0.016 0.000 2.295 492 K HA 0.425 4.745 4.320 -0.001 0.000 0.239 492 K C -0.544 176.064 176.600 0.012 0.000 0.991 492 K CA -0.632 55.665 56.287 0.016 0.000 0.845 492 K CB 2.701 35.214 32.500 0.022 0.000 1.197 492 K HN -0.087 nan 8.250 nan 0.000 0.441 493 V N 4.293 124.214 119.914 0.012 0.000 2.655 493 V HA 0.138 4.257 4.120 -0.001 0.000 0.300 493 V C -0.415 175.683 176.094 0.007 0.000 1.044 493 V CA -0.053 62.252 62.300 0.009 0.000 1.095 493 V CB 0.215 32.044 31.823 0.010 0.000 0.952 493 V HN 0.558 nan 8.190 nan 0.000 0.485 494 L N 8.371 129.595 121.223 0.001 0.000 2.375 494 L HA 0.424 4.764 4.340 -0.001 0.000 0.276 494 L C 1.555 178.422 176.870 -0.005 0.000 1.162 494 L CA -0.012 54.827 54.840 -0.002 0.000 0.991 494 L CB -0.019 42.037 42.059 -0.006 0.000 1.315 494 L HN 0.665 nan 8.230 nan 0.000 0.431 495 R N 1.268 121.768 120.500 -0.000 0.000 2.357 495 R HA -0.105 4.234 4.340 -0.001 0.000 0.202 495 R C 2.186 178.482 176.300 -0.007 0.000 1.047 495 R CA 0.862 56.961 56.100 -0.002 0.000 1.034 495 R CB -0.135 30.169 30.300 0.006 0.000 0.875 495 R HN 0.714 nan 8.270 nan 0.000 0.473 496 R N 0.339 120.834 120.500 -0.009 0.000 2.121 496 R HA 0.044 4.383 4.340 -0.001 0.000 0.206 496 R C 1.742 178.030 176.300 -0.020 0.000 1.094 496 R CA 0.601 56.694 56.100 -0.012 0.000 1.055 496 R CB -0.686 29.609 30.300 -0.007 0.000 0.964 496 R HN 0.236 nan 8.270 nan 0.000 0.473 497 Q N -0.184 119.604 119.800 -0.021 0.000 2.172 497 Q HA -0.016 4.324 4.340 -0.001 0.000 0.200 497 Q C 2.074 178.049 176.000 -0.041 0.000 0.964 497 Q CA 1.451 57.238 55.803 -0.027 0.000 0.855 497 Q CB -0.032 28.693 28.738 -0.022 0.000 0.918 497 Q HN 0.413 nan 8.270 nan 0.000 0.444 498 L N 0.523 121.720 121.223 -0.042 0.000 2.017 498 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 498 L C 2.384 179.198 176.870 -0.093 0.000 1.073 498 L CA 2.095 56.898 54.840 -0.062 0.000 0.745 498 L CB -1.000 41.032 42.059 -0.045 0.000 0.894 498 L HN 0.234 nan 8.230 nan 0.000 0.432 499 V N -1.160 118.712 119.914 -0.070 0.000 2.392 499 V HA -0.341 3.779 4.120 -0.001 0.000 0.249 499 V C 2.415 178.458 176.094 -0.086 0.000 1.059 499 V CA 3.479 65.734 62.300 -0.075 0.000 1.051 499 V CB -1.553 30.247 31.823 -0.039 0.000 0.658 499 V HN 0.594 nan 8.190 nan 0.000 0.455 500 Q N -0.872 118.887 119.800 -0.068 0.000 2.083 500 Q HA -0.228 4.111 4.340 -0.001 0.000 0.198 500 Q C 2.246 178.196 176.000 -0.084 0.000 0.969 500 Q CA 1.698 57.465 55.803 -0.061 0.000 0.838 500 Q CB -0.642 28.071 28.738 -0.041 0.000 0.900 500 Q HN 0.893 nan 8.270 nan 0.000 0.436 501 Q N -0.493 119.249 119.800 -0.096 0.000 2.226 501 Q HA -0.074 4.266 4.340 -0.001 0.000 0.204 501 Q C 2.020 177.909 176.000 -0.186 0.000 0.975 501 Q CA 1.337 57.074 55.803 -0.111 0.000 0.866 501 Q CB -0.130 28.553 28.738 -0.093 0.000 0.915 501 Q HN 0.515 nan 8.270 nan 0.000 0.440 502 V N 0.473 120.222 119.914 -0.274 0.000 2.548 502 V HA -0.193 3.927 4.120 -0.001 0.000 0.249 502 V C 2.332 178.198 176.094 -0.379 0.000 1.055 502 V CA 1.633 63.610 62.300 -0.538 0.000 1.065 502 V CB -0.559 30.851 31.823 -0.689 0.000 0.681 502 V HN 0.563 nan 8.190 nan 0.000 0.462 503 S N -0.000 115.589 115.700 -0.185 0.000 2.359 503 S HA 0.175 4.645 4.470 -0.001 0.000 0.186 503 S C 1.491 176.060 174.600 -0.051 0.000 1.163 503 S CA 1.175 59.327 58.200 -0.080 0.000 1.479 503 S CB -0.861 62.312 63.200 -0.045 0.000 0.880 503 S HN 0.583 nan 8.310 nan 0.000 0.395 504 S N 0.000 115.677 115.700 -0.038 0.000 2.498 504 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 504 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 504 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 504 S HN 0.000 nan 8.310 nan 0.000 0.517