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 1brm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMQR MVEERDFDAI RPVFFSTSQL GQAAPSFGGT DATA SEQUENCE TGTLQDAFDL EALKALDIIV TCQGGDYTNE IYPKLRESGW QGYWIDAASS DATA SEQUENCE LRMKDDAIII LDPVNQDVIT DGLNNGIRTF VGGNCTVSLM LMSLGGLFAN DATA SEQUENCE DLVDWVSVAT YQAASGGGAR HMRELLTQMG HLYGHVADEL ATPSSAILDI DATA SEQUENCE ERKVTTLTRS GELPVDNFGV PLAGSLIPWI DXXXXXXXXX XEWKGQAETN DATA SEQUENCE KILNTSSVIP VDGLCVRVGA LRCHSQAFTI KLKKDVSIPT VEELLAAHNP DATA SEQUENCE WAKVVPNDRE ITMRELTPAA VTGTLTTPVG RLRKLNMGPE FLSAFTVGDQ DATA SEQUENCE LLWGAAEPLR RMLRQLA 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 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.323 55.300 0.039 0.000 0.988 1 M CB 0.000 32.628 32.600 0.046 0.000 1.302 2 K N 1.445 121.871 120.400 0.044 0.000 2.185 2 K HA 0.379 4.699 4.320 0.001 0.000 0.271 2 K C -0.477 176.155 176.600 0.053 0.000 1.013 2 K CA -0.375 55.943 56.287 0.051 0.000 0.943 2 K CB 0.618 33.150 32.500 0.053 0.000 0.998 2 K HN 0.559 nan 8.250 nan 0.000 0.468 3 N N 1.095 119.831 118.700 0.061 0.000 2.415 3 N HA 0.135 4.875 4.740 0.001 0.000 0.246 3 N C -1.160 174.371 175.510 0.036 0.000 1.078 3 N CA -0.431 52.654 53.050 0.059 0.000 0.942 3 N CB 1.021 39.555 38.487 0.077 0.000 1.140 3 N HN 0.094 nan 8.380 nan 0.000 0.501 4 V N 1.323 121.223 119.914 -0.023 0.000 2.398 4 V HA 0.635 4.755 4.120 0.001 0.000 0.286 4 V C 0.804 176.703 176.094 -0.324 0.000 1.026 4 V CA -0.830 61.355 62.300 -0.192 0.000 0.868 4 V CB 1.523 33.183 31.823 -0.272 0.000 0.982 4 V HN 0.729 nan 8.190 nan 0.000 0.443 5 G N 3.430 112.013 108.800 -0.361 0.000 2.379 5 G HA2 0.677 4.637 3.960 0.001 0.000 0.327 5 G HA3 0.677 4.637 3.960 0.001 0.000 0.327 5 G C -1.252 173.327 174.900 -0.535 0.000 1.145 5 G CA -0.307 44.671 45.100 -0.203 0.000 0.905 5 G HN 0.421 nan 8.290 nan 0.000 0.466 6 F N 1.156 121.140 119.950 0.057 0.000 2.467 6 F HA 0.563 5.091 4.527 0.001 0.000 0.336 6 F C 0.082 176.067 175.800 0.309 0.000 1.123 6 F CA -0.683 57.385 58.000 0.113 0.000 0.964 6 F CB 2.228 41.311 39.000 0.138 0.000 1.136 6 F HN 0.144 nan 8.300 nan 0.000 0.447 7 I N 1.767 122.474 120.570 0.230 0.000 2.509 7 I HA 0.588 4.758 4.170 0.001 0.000 0.293 7 I C 0.543 176.673 176.117 0.021 0.000 1.020 7 I CA -0.572 60.760 61.300 0.054 0.000 1.088 7 I CB 1.888 39.638 38.000 -0.416 0.000 1.267 7 I HN 0.772 nan 8.210 nan 0.000 0.430 8 G N 4.943 113.709 108.800 -0.056 0.000 2.198 8 G HA2 -0.212 3.748 3.960 0.001 0.000 0.257 8 G HA3 -0.212 3.748 3.960 0.001 0.000 0.257 8 G C 0.522 175.377 174.900 -0.074 0.000 1.042 8 G CA 0.538 45.550 45.100 -0.147 0.000 0.791 8 G HN 0.914 nan 8.290 nan 0.000 0.502 9 W N -0.802 120.544 121.300 0.077 0.000 2.800 9 W HA 0.207 4.867 4.660 0.001 0.000 0.249 9 W C 1.479 178.006 176.519 0.013 0.000 1.294 9 W CA 0.465 57.843 57.345 0.056 0.000 1.402 9 W CB -0.531 29.013 29.460 0.140 0.000 1.126 9 W HN 0.357 nan 8.180 nan 0.000 0.652 10 R N 0.952 121.032 120.500 -0.700 0.000 2.100 10 R HA 0.076 4.417 4.340 0.001 0.000 0.220 10 R C 1.834 177.989 176.300 -0.241 0.000 1.091 10 R CA 0.776 56.526 56.100 -0.585 0.000 0.986 10 R CB -0.618 29.194 30.300 -0.813 0.000 0.888 10 R HN 0.066 nan 8.270 nan 0.000 0.444 11 G N 0.591 109.267 108.800 -0.207 0.000 2.794 11 G HA2 -0.159 3.802 3.960 0.001 0.000 0.249 11 G HA3 -0.159 3.802 3.960 0.001 0.000 0.249 11 G C 0.688 175.548 174.900 -0.067 0.000 1.236 11 G CA -0.324 44.707 45.100 -0.115 0.000 0.880 11 G HN 0.150 nan 8.290 nan 0.000 0.586 12 M N 0.228 119.798 119.600 -0.051 0.000 2.065 12 M HA -0.153 4.327 4.480 0.001 0.000 0.259 12 M C 2.514 178.792 176.300 -0.036 0.000 1.069 12 M CA 1.909 57.188 55.300 -0.037 0.000 1.110 12 M CB -0.331 32.248 32.600 -0.034 0.000 1.328 12 M HN 0.289 nan 8.290 nan 0.000 0.405 13 V N 0.511 120.401 119.914 -0.041 0.000 2.287 13 V HA -0.221 3.899 4.120 0.001 0.000 0.248 13 V C 2.630 178.705 176.094 -0.032 0.000 1.053 13 V CA 2.088 64.363 62.300 -0.042 0.000 1.027 13 V CB -2.121 29.678 31.823 -0.040 0.000 0.646 13 V HN 0.756 nan 8.190 nan 0.000 0.447 14 G N -0.144 108.646 108.800 -0.016 0.000 2.491 14 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 14 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 14 G C 1.819 176.728 174.900 0.013 0.000 1.180 14 G CA 1.327 46.443 45.100 0.027 0.000 0.774 14 G HN 0.520 nan 8.290 nan 0.000 0.562 15 S N -0.079 115.623 115.700 0.004 0.000 2.374 15 S HA -0.150 4.321 4.470 0.001 0.000 0.227 15 S C 2.441 177.019 174.600 -0.037 0.000 1.037 15 S CA 1.324 59.526 58.200 0.003 0.000 1.024 15 S CB -0.345 62.862 63.200 0.013 0.000 0.861 15 S HN 0.186 nan 8.310 nan 0.000 0.456 16 V N 1.491 121.377 119.914 -0.046 0.000 2.427 16 V HA -0.090 4.030 4.120 0.001 0.000 0.248 16 V C 2.169 178.205 176.094 -0.096 0.000 1.051 16 V CA 1.367 63.627 62.300 -0.067 0.000 1.048 16 V CB -0.566 31.213 31.823 -0.075 0.000 0.666 16 V HN 0.372 nan 8.190 nan 0.000 0.456 17 L N -0.539 120.627 121.223 -0.095 0.000 2.017 17 L HA -0.141 4.199 4.340 0.001 0.000 0.208 17 L C 2.336 179.109 176.870 -0.162 0.000 1.073 17 L CA 2.085 56.855 54.840 -0.117 0.000 0.745 17 L CB -0.494 41.523 42.059 -0.069 0.000 0.894 17 L HN 0.153 nan 8.230 nan 0.000 0.432 18 M N -0.876 118.607 119.600 -0.196 0.000 2.059 18 M HA -0.222 4.258 4.480 0.001 0.000 0.259 18 M C 2.325 178.504 176.300 -0.202 0.000 1.072 18 M CA 1.698 56.792 55.300 -0.344 0.000 1.117 18 M CB -1.503 30.646 32.600 -0.751 0.000 1.320 18 M HN 0.381 nan 8.290 nan 0.000 0.408 19 Q N -0.431 119.291 119.800 -0.130 0.000 2.062 19 Q HA -0.211 4.130 4.340 0.001 0.000 0.209 19 Q C 2.328 178.306 176.000 -0.035 0.000 0.996 19 Q CA 1.473 57.257 55.803 -0.032 0.000 0.859 19 Q CB -0.171 28.555 28.738 -0.019 0.000 0.920 19 Q HN 0.312 nan 8.270 nan 0.000 0.415 20 R N 0.156 120.607 120.500 -0.081 0.000 2.083 20 R HA -0.110 4.231 4.340 0.001 0.000 0.237 20 R C 2.135 178.380 176.300 -0.092 0.000 1.137 20 R CA 1.486 57.526 56.100 -0.100 0.000 0.951 20 R CB -0.691 29.517 30.300 -0.153 0.000 0.851 20 R HN 0.415 nan 8.270 nan 0.000 0.434 21 M N -0.108 119.416 119.600 -0.126 0.000 2.080 21 M HA -0.174 4.307 4.480 0.001 0.000 0.260 21 M C 2.331 178.632 176.300 0.001 0.000 1.068 21 M CA 1.527 56.725 55.300 -0.169 0.000 1.109 21 M CB -0.362 31.983 32.600 -0.426 0.000 1.342 21 M HN -0.094 nan 8.290 nan 0.000 0.405 22 V N 0.519 120.516 119.914 0.138 0.000 2.324 22 V HA -0.314 3.807 4.120 0.001 0.000 0.250 22 V C 2.217 178.373 176.094 0.103 0.000 1.060 22 V CA 2.342 64.767 62.300 0.209 0.000 1.042 22 V CB -0.894 31.049 31.823 0.200 0.000 0.650 22 V HN 0.559 nan 8.190 nan 0.000 0.450 23 E N 0.158 120.387 120.200 0.048 0.000 2.058 23 E HA -0.234 4.117 4.350 0.001 0.000 0.194 23 E C 1.639 178.250 176.600 0.019 0.000 0.997 23 E CA 1.407 57.823 56.400 0.025 0.000 0.801 23 E CB -0.004 29.697 29.700 0.000 0.000 0.746 23 E HN 0.588 nan 8.360 nan 0.000 0.450 24 E N 0.825 121.025 120.200 -0.000 0.000 2.403 24 E HA -0.036 4.315 4.350 0.001 0.000 0.188 24 E C -0.158 176.445 176.600 0.006 0.000 1.056 24 E CA 0.107 56.504 56.400 -0.005 0.000 0.892 24 E CB 0.202 29.882 29.700 -0.034 0.000 1.049 24 E HN 0.316 nan 8.360 nan 0.000 0.465 25 R N -0.027 120.497 120.500 0.040 0.000 3.405 25 R HA -0.233 4.108 4.340 0.001 0.000 0.258 25 R C -0.342 175.983 176.300 0.042 0.000 1.030 25 R CA 0.915 57.058 56.100 0.072 0.000 0.691 25 R CB -2.797 27.537 30.300 0.057 0.000 1.093 25 R HN 0.018 nan 8.270 nan 0.000 0.448 26 D N 0.315 120.697 120.400 -0.031 0.000 2.144 26 D HA -0.033 4.608 4.640 0.001 0.000 0.199 26 D C 1.366 177.577 176.300 -0.149 0.000 0.984 26 D CA 1.440 55.347 54.000 -0.153 0.000 0.834 26 D CB -0.238 40.365 40.800 -0.329 0.000 0.955 26 D HN 0.451 nan 8.370 nan 0.000 0.465 27 F N 0.884 120.846 119.950 0.020 0.000 2.365 27 F HA -0.074 4.453 4.527 0.001 0.000 0.300 27 F C 1.992 177.818 175.800 0.044 0.000 1.090 27 F CA 0.560 58.586 58.000 0.043 0.000 1.408 27 F CB -0.253 38.777 39.000 0.050 0.000 1.060 27 F HN -0.128 nan 8.300 nan 0.000 0.534 28 D N 0.522 121.034 120.400 0.187 0.000 2.106 28 D HA -0.205 4.436 4.640 0.001 0.000 0.191 28 D C 2.264 178.617 176.300 0.088 0.000 0.997 28 D CA 1.705 55.776 54.000 0.118 0.000 0.834 28 D CB -0.515 40.332 40.800 0.079 0.000 0.956 28 D HN 0.237 nan 8.370 nan 0.000 0.448 29 A N -0.201 122.656 122.820 0.061 0.000 2.238 29 A HA 0.216 4.537 4.320 0.001 0.000 0.208 29 A C 1.143 178.757 177.584 0.051 0.000 1.177 29 A CA 0.101 52.164 52.037 0.043 0.000 0.804 29 A CB -0.576 18.434 19.000 0.018 0.000 0.823 29 A HN 0.409 nan 8.150 nan 0.000 0.482 30 I N -5.525 115.093 120.570 0.081 0.000 3.294 30 I HA 0.601 4.771 4.170 0.001 0.000 0.311 30 I C -0.140 176.052 176.117 0.125 0.000 1.111 30 I CA -1.381 59.973 61.300 0.090 0.000 0.976 30 I CB 1.635 39.687 38.000 0.087 0.000 1.260 30 I HN -0.186 nan 8.210 nan 0.000 0.474 31 R N 2.512 123.077 120.500 0.109 0.000 2.272 31 R HA 0.515 4.856 4.340 0.001 0.000 0.323 31 R C -2.787 173.583 176.300 0.117 0.000 1.002 31 R CA -1.819 54.344 56.100 0.104 0.000 0.900 31 R CB 1.472 31.813 30.300 0.069 0.000 1.151 31 R HN 0.460 nan 8.270 nan 0.000 0.507 32 P HA 0.175 nan 4.420 nan 0.000 0.285 32 P C -0.854 176.358 177.300 -0.146 0.000 1.259 32 P CA -0.343 62.819 63.100 0.104 0.000 0.794 32 P CB 1.735 33.565 31.700 0.217 0.000 0.940 33 V N 4.309 124.077 119.914 -0.244 0.000 2.531 33 V HA 0.422 4.542 4.120 0.001 0.000 0.301 33 V C -0.408 175.496 176.094 -0.317 0.000 1.034 33 V CA -0.397 61.781 62.300 -0.204 0.000 0.865 33 V CB 1.225 33.035 31.823 -0.022 0.000 0.995 33 V HN 0.328 nan 8.190 nan 0.000 0.424 34 F N 4.150 124.104 119.950 0.007 0.000 2.436 34 F HA 0.747 5.274 4.527 0.001 0.000 0.340 34 F C -0.222 175.601 175.800 0.037 0.000 1.113 34 F CA -0.569 57.480 58.000 0.082 0.000 1.022 34 F CB 1.430 40.302 39.000 -0.213 0.000 1.128 34 F HN 0.281 nan 8.300 nan 0.000 0.466 35 F N 1.028 121.270 119.950 0.485 0.000 2.541 35 F HA 0.734 5.261 4.527 0.001 0.000 0.331 35 F C 0.176 176.216 175.800 0.400 0.000 1.057 35 F CA -0.837 57.372 58.000 0.348 0.000 0.975 35 F CB 2.100 41.208 39.000 0.181 0.000 1.246 35 F HN 0.368 nan 8.300 nan 0.000 0.484 36 S N -1.081 114.873 115.700 0.425 0.000 2.580 36 S HA 0.285 4.755 4.470 0.001 0.000 0.281 36 S C 0.106 174.853 174.600 0.244 0.000 1.129 36 S CA -0.017 58.341 58.200 0.262 0.000 0.862 36 S CB 0.982 64.319 63.200 0.229 0.000 1.090 36 S HN 0.894 nan 8.310 nan 0.000 0.451 37 T N 0.296 114.977 114.554 0.211 0.000 3.054 37 T HA 0.111 4.461 4.350 0.001 0.000 0.259 37 T C 1.830 176.617 174.700 0.144 0.000 1.092 37 T CA 1.495 63.742 62.100 0.244 0.000 1.121 37 T CB -0.259 68.775 68.868 0.276 0.000 0.912 37 T HN 0.646 nan 8.240 nan 0.000 0.489 38 S N 1.580 117.340 115.700 0.101 0.000 2.341 38 S HA 0.015 4.485 4.470 0.001 0.000 0.204 38 S C 1.323 175.965 174.600 0.070 0.000 1.038 38 S CA 0.401 58.641 58.200 0.066 0.000 1.013 38 S CB -0.466 62.755 63.200 0.036 0.000 0.994 38 S HN 0.630 nan 8.310 nan 0.000 0.430 39 Q N 2.016 121.861 119.800 0.074 0.000 3.135 39 Q HA 0.319 4.659 4.340 0.001 0.000 0.344 39 Q C -1.055 174.996 176.000 0.084 0.000 1.321 39 Q CA -0.350 55.495 55.803 0.070 0.000 1.050 39 Q CB -0.053 28.721 28.738 0.061 0.000 1.498 39 Q HN 0.545 nan 8.270 nan 0.000 0.503 40 L N -1.314 119.964 121.223 0.090 0.000 2.615 40 L HA 0.228 4.568 4.340 0.001 0.000 0.271 40 L C 1.222 178.126 176.870 0.057 0.000 1.183 40 L CA 0.363 55.255 54.840 0.086 0.000 0.933 40 L CB -0.343 41.775 42.059 0.097 0.000 1.199 40 L HN 0.540 nan 8.230 nan 0.000 0.487 41 G N 0.762 109.589 108.800 0.045 0.000 2.436 41 G HA2 -0.185 3.775 3.960 0.001 0.000 0.204 41 G HA3 -0.185 3.775 3.960 0.001 0.000 0.204 41 G C 0.415 175.331 174.900 0.026 0.000 1.026 41 G CA -0.473 44.644 45.100 0.028 0.000 0.658 41 G HN 0.554 nan 8.290 nan 0.000 0.499 42 Q N 1.022 120.845 119.800 0.037 0.000 2.614 42 Q HA 0.478 4.818 4.340 0.001 0.000 0.244 42 Q C 1.068 177.082 176.000 0.024 0.000 1.097 42 Q CA 0.399 56.220 55.803 0.030 0.000 0.986 42 Q CB 0.345 29.108 28.738 0.041 0.000 1.308 42 Q HN 1.115 nan 8.270 nan 0.000 0.546 43 A N 0.497 123.319 122.820 0.004 0.000 2.609 43 A HA 0.253 4.573 4.320 0.001 0.000 0.232 43 A C -0.077 177.487 177.584 -0.032 0.000 1.041 43 A CA 0.713 52.735 52.037 -0.025 0.000 0.753 43 A CB -0.063 18.910 19.000 -0.046 0.000 0.966 43 A HN 0.646 nan 8.150 nan 0.000 0.510 44 A N 4.099 126.873 122.820 -0.076 0.000 2.301 44 A HA 0.662 4.982 4.320 0.001 0.000 0.312 44 A C -0.734 176.639 177.584 -0.351 0.000 1.182 44 A CA -1.489 50.461 52.037 -0.144 0.000 0.826 44 A CB 0.128 19.107 19.000 -0.035 0.000 1.134 44 A HN 0.664 nan 8.150 nan 0.000 0.501 45 P HA -0.318 nan 4.420 nan 0.000 0.221 45 P C 0.671 177.416 177.300 -0.925 0.000 1.153 45 P CA 2.247 64.792 63.100 -0.924 0.000 0.858 45 P CB -0.195 30.625 31.700 -1.468 0.000 0.783 46 S N -4.404 110.884 115.700 -0.685 0.000 3.749 46 S HA -0.226 4.245 4.470 0.001 0.000 0.348 46 S C 0.657 174.900 174.600 -0.596 0.000 1.045 46 S CA 0.569 58.479 58.200 -0.482 0.000 1.051 46 S CB -2.739 60.242 63.200 -0.364 0.000 0.898 46 S HN 0.031 nan 8.310 nan 0.000 0.472 47 F N 1.242 120.795 119.950 -0.662 0.000 2.187 47 F HA 0.300 4.827 4.527 0.001 0.000 0.295 47 F C 2.510 177.827 175.800 -0.806 0.000 1.091 47 F CA 1.209 58.746 58.000 -0.772 0.000 1.308 47 F CB -0.640 37.692 39.000 -1.114 0.000 1.030 47 F HN 0.574 nan 8.300 nan 0.000 0.487 48 G N -0.833 107.535 108.800 -0.720 0.000 3.474 48 G HA2 0.344 4.304 3.960 0.001 0.000 0.269 48 G HA3 0.344 4.304 3.960 0.001 0.000 0.269 48 G C 1.343 176.174 174.900 -0.114 0.000 1.339 48 G CA 0.172 45.082 45.100 -0.316 0.000 1.258 48 G HN 0.618 nan 8.290 nan 0.000 0.560 49 G N -0.193 108.515 108.800 -0.153 0.000 2.244 49 G HA2 -0.312 3.648 3.960 0.001 0.000 0.274 49 G HA3 -0.312 3.648 3.960 0.001 0.000 0.274 49 G C 0.682 175.532 174.900 -0.083 0.000 1.002 49 G CA 0.861 45.899 45.100 -0.104 0.000 0.740 49 G HN 0.709 nan 8.290 nan 0.000 0.516 50 T N 0.325 114.823 114.554 -0.094 0.000 2.849 50 T HA 0.602 4.952 4.350 0.001 0.000 0.284 50 T C 0.714 175.374 174.700 -0.067 0.000 1.004 50 T CA 0.806 62.880 62.100 -0.043 0.000 1.021 50 T CB 0.733 69.614 68.868 0.021 0.000 1.013 50 T HN 0.934 nan 8.240 nan 0.000 0.527 51 T N 0.095 114.627 114.554 -0.037 0.000 2.985 51 T HA 0.720 5.070 4.350 0.001 0.000 0.315 51 T C -0.065 174.622 174.700 -0.022 0.000 1.001 51 T CA -0.636 61.437 62.100 -0.045 0.000 1.016 51 T CB 1.091 69.935 68.868 -0.040 0.000 0.993 51 T HN 0.749 nan 8.240 nan 0.000 0.454 52 G N 1.742 110.529 108.800 -0.021 0.000 2.846 52 G HA2 0.857 4.818 3.960 0.001 0.000 0.299 52 G HA3 0.857 4.818 3.960 0.001 0.000 0.299 52 G C -0.823 174.073 174.900 -0.007 0.000 1.242 52 G CA -0.301 44.798 45.100 -0.002 0.000 0.800 52 G HN 1.171 nan 8.290 nan 0.000 0.538 53 T N -1.831 112.724 114.554 0.001 0.000 2.883 53 T HA 0.647 4.998 4.350 0.001 0.000 0.301 53 T C -0.501 174.204 174.700 0.007 0.000 1.158 53 T CA -0.706 61.396 62.100 0.003 0.000 1.007 53 T CB 1.483 70.349 68.868 -0.003 0.000 1.186 53 T HN 0.502 nan 8.240 nan 0.000 0.499 54 L N 2.616 123.862 121.223 0.038 0.000 2.418 54 L HA 0.299 4.639 4.340 0.001 0.000 0.274 54 L C 0.711 177.563 176.870 -0.030 0.000 1.135 54 L CA -0.719 54.157 54.840 0.059 0.000 0.870 54 L CB 0.329 42.480 42.059 0.154 0.000 1.154 54 L HN 0.541 nan 8.230 nan 0.000 0.462 55 Q N 1.899 121.571 119.800 -0.214 0.000 2.256 55 Q HA 0.172 4.512 4.340 0.001 0.000 0.232 55 Q C -0.503 175.488 176.000 -0.015 0.000 0.965 55 Q CA -0.567 55.062 55.803 -0.290 0.000 0.908 55 Q CB 1.292 29.519 28.738 -0.852 0.000 1.209 55 Q HN 0.421 nan 8.270 nan 0.000 0.489 56 D N 0.410 120.898 120.400 0.146 0.000 2.371 56 D HA 0.141 4.781 4.640 0.001 0.000 0.256 56 D C 0.198 176.822 176.300 0.540 0.000 1.193 56 D CA 0.027 54.209 54.000 0.304 0.000 0.881 56 D CB 1.061 42.008 40.800 0.245 0.000 1.143 56 D HN 0.560 nan 8.370 nan 0.000 0.473 57 A N 3.843 126.981 122.820 0.531 0.000 2.209 57 A HA -0.064 4.256 4.320 0.001 0.000 0.212 57 A C 1.119 178.736 177.584 0.054 0.000 1.158 57 A CA 0.466 52.710 52.037 0.344 0.000 0.742 57 A CB -0.282 18.802 19.000 0.139 0.000 0.790 57 A HN 0.564 nan 8.150 nan 0.000 0.472 58 F N -0.490 119.623 119.950 0.271 0.000 2.668 58 F HA 0.212 4.739 4.527 0.000 0.000 0.301 58 F C 0.134 176.002 175.800 0.112 0.000 1.106 58 F CA -0.852 57.252 58.000 0.173 0.000 1.289 58 F CB 0.610 39.697 39.000 0.145 0.000 1.006 58 F HN 0.119 nan 8.300 nan 0.000 0.535 59 D N 0.829 121.375 120.400 0.242 0.000 2.412 59 D HA 0.211 4.851 4.640 0.001 0.000 0.224 59 D C 1.042 177.397 176.300 0.092 0.000 1.093 59 D CA -0.017 54.086 54.000 0.171 0.000 0.850 59 D CB 0.899 41.812 40.800 0.189 0.000 1.046 59 D HN 0.157 nan 8.370 nan 0.000 0.507 60 L N 2.766 124.009 121.223 0.034 0.000 2.042 60 L HA -0.138 4.202 4.340 0.001 0.000 0.210 60 L C 2.092 178.938 176.870 -0.041 0.000 1.076 60 L CA 0.917 55.729 54.840 -0.047 0.000 0.749 60 L CB -0.240 41.789 42.059 -0.051 0.000 0.893 60 L HN 0.435 nan 8.230 nan 0.000 0.432 61 E N 0.342 120.551 120.200 0.014 0.000 2.058 61 E HA -0.230 4.120 4.350 0.001 0.000 0.194 61 E C 2.327 178.959 176.600 0.054 0.000 0.997 61 E CA 1.543 57.961 56.400 0.030 0.000 0.801 61 E CB -0.431 29.295 29.700 0.044 0.000 0.746 61 E HN 0.484 nan 8.360 nan 0.000 0.450 62 A N 0.877 123.759 122.820 0.103 0.000 1.972 62 A HA -0.121 4.200 4.320 0.001 0.000 0.219 62 A C 2.386 180.085 177.584 0.191 0.000 1.169 62 A CA 1.080 53.225 52.037 0.180 0.000 0.635 62 A CB -0.590 18.580 19.000 0.283 0.000 0.810 62 A HN 0.184 nan 8.150 nan 0.000 0.446 63 L N -1.198 120.049 121.223 0.040 0.000 2.095 63 L HA -0.098 4.242 4.340 0.001 0.000 0.204 63 L C 2.435 179.128 176.870 -0.295 0.000 1.080 63 L CA 1.360 56.087 54.840 -0.188 0.000 0.759 63 L CB -0.362 41.481 42.059 -0.359 0.000 0.914 63 L HN 0.251 nan 8.230 nan 0.000 0.439 64 K N 0.343 120.600 120.400 -0.238 0.000 2.209 64 K HA -0.112 4.208 4.320 0.001 0.000 0.204 64 K C 2.059 178.770 176.600 0.185 0.000 1.048 64 K CA 1.169 57.387 56.287 -0.115 0.000 0.940 64 K CB -0.190 32.317 32.500 0.012 0.000 0.729 64 K HN 0.283 nan 8.250 nan 0.000 0.451 65 A N 0.786 123.683 122.820 0.129 0.000 2.168 65 A HA 0.024 4.345 4.320 0.001 0.000 0.215 65 A C 0.755 178.459 177.584 0.200 0.000 1.152 65 A CA 0.530 52.662 52.037 0.158 0.000 0.716 65 A CB -0.300 18.772 19.000 0.120 0.000 0.794 65 A HN 0.099 nan 8.150 nan 0.000 0.465 66 L N -0.554 120.819 121.223 0.250 0.000 2.421 66 L HA 0.266 4.606 4.340 0.001 0.000 0.263 66 L C 0.584 177.685 176.870 0.385 0.000 1.122 66 L CA -0.750 54.252 54.840 0.269 0.000 0.804 66 L CB 0.589 42.772 42.059 0.207 0.000 1.150 66 L HN 0.133 nan 8.230 nan 0.000 0.457 67 D N 0.847 121.395 120.400 0.246 0.000 2.262 67 D HA 0.266 4.906 4.640 0.001 0.000 0.212 67 D C 0.313 176.751 176.300 0.231 0.000 0.964 67 D CA 1.115 55.220 54.000 0.175 0.000 0.875 67 D CB 0.794 41.661 40.800 0.111 0.000 0.996 67 D HN 0.252 nan 8.370 nan 0.000 0.497 68 I N 0.615 121.328 120.570 0.237 0.000 2.769 68 I HA 0.364 4.535 4.170 0.001 0.000 0.298 68 I C -0.874 175.304 176.117 0.101 0.000 1.128 68 I CA -0.755 60.682 61.300 0.228 0.000 1.031 68 I CB 3.161 41.218 38.000 0.094 0.000 1.235 68 I HN -0.333 nan 8.210 nan 0.000 0.423 69 I N 5.177 125.805 120.570 0.096 0.000 2.466 69 I HA 0.382 4.552 4.170 0.001 0.000 0.289 69 I C -0.978 174.900 176.117 -0.399 0.000 1.026 69 I CA -0.833 60.343 61.300 -0.206 0.000 1.078 69 I CB 2.295 40.172 38.000 -0.205 0.000 1.249 69 I HN 0.142 nan 8.210 nan 0.000 0.429 70 V N 4.815 124.439 119.914 -0.482 0.000 2.304 70 V HA 0.335 4.455 4.120 0.001 0.000 0.278 70 V C 0.183 176.103 176.094 -0.290 0.000 1.018 70 V CA -0.522 61.560 62.300 -0.364 0.000 0.814 70 V CB 1.314 32.979 31.823 -0.263 0.000 1.021 70 V HN 0.825 nan 8.190 nan 0.000 0.440 71 T N 0.389 114.712 114.554 -0.385 0.000 2.867 71 T HA 0.442 4.793 4.350 0.001 0.000 0.282 71 T C 0.097 174.717 174.700 -0.133 0.000 1.000 71 T CA -0.553 61.378 62.100 -0.280 0.000 1.042 71 T CB 1.488 70.152 68.868 -0.339 0.000 0.973 71 T HN 0.530 nan 8.240 nan 0.000 0.465 72 C N 2.263 121.512 119.300 -0.084 0.000 3.359 72 C HA 0.325 4.785 4.460 0.001 0.000 0.258 72 C C 1.772 176.725 174.990 -0.060 0.000 1.840 72 C CA -0.387 58.605 59.018 -0.044 0.000 1.746 72 C CB -0.754 26.980 27.740 -0.010 0.000 3.306 72 C HN 1.046 nan 8.230 nan 0.000 0.485 73 Q N 1.765 121.505 119.800 -0.101 0.000 2.212 73 Q HA 0.384 4.724 4.340 0.001 0.000 0.199 73 Q C 1.038 177.043 176.000 0.008 0.000 0.950 73 Q CA 1.745 57.478 55.803 -0.116 0.000 0.863 73 Q CB 0.136 28.659 28.738 -0.359 0.000 0.944 73 Q HN 0.697 nan 8.270 nan 0.000 0.465 74 G N -2.727 106.112 108.800 0.064 0.000 2.440 74 G HA2 0.043 4.004 3.960 0.001 0.000 0.684 74 G HA3 0.043 4.004 3.960 0.001 0.000 0.684 74 G C 0.435 175.433 174.900 0.164 0.000 1.309 74 G CA -0.338 44.822 45.100 0.100 0.000 0.931 74 G HN 0.299 nan 8.290 nan 0.000 0.612 75 G N -0.844 108.034 108.800 0.129 0.000 2.443 75 G HA2 0.022 3.982 3.960 0.001 0.000 0.219 75 G HA3 0.022 3.982 3.960 0.001 0.000 0.219 75 G C 1.180 176.163 174.900 0.139 0.000 1.131 75 G CA 1.923 47.099 45.100 0.127 0.000 0.775 75 G HN 0.690 nan 8.290 nan 0.000 0.547 76 D N -0.769 119.723 120.400 0.153 0.000 2.117 76 D HA -0.117 4.523 4.640 0.001 0.000 0.197 76 D C 1.854 178.280 176.300 0.209 0.000 0.987 76 D CA 0.694 54.789 54.000 0.159 0.000 0.829 76 D CB -0.227 40.670 40.800 0.162 0.000 0.961 76 D HN 0.374 nan 8.370 nan 0.000 0.460 77 Y N 1.204 121.581 120.300 0.130 0.000 2.109 77 Y HA -0.203 4.347 4.550 0.001 0.000 0.285 77 Y C 2.432 178.413 175.900 0.135 0.000 1.131 77 Y CA 1.956 60.128 58.100 0.120 0.000 1.121 77 Y CB -0.707 37.786 38.460 0.056 0.000 0.987 77 Y HN -0.127 nan 8.280 nan 0.000 0.495 78 T N 1.196 115.927 114.554 0.294 0.000 2.653 78 T HA -0.245 4.106 4.350 0.001 0.000 0.268 78 T C 1.585 176.312 174.700 0.045 0.000 1.035 78 T CA 1.830 64.091 62.100 0.269 0.000 1.154 78 T CB -0.464 68.602 68.868 0.330 0.000 0.862 78 T HN 0.359 nan 8.240 nan 0.000 0.441 79 N N 0.566 119.295 118.700 0.048 0.000 2.443 79 N HA -0.052 4.688 4.740 0.001 0.000 0.184 79 N C 1.749 177.251 175.510 -0.013 0.000 1.037 79 N CA 0.684 53.743 53.050 0.015 0.000 0.896 79 N CB -0.072 38.436 38.487 0.034 0.000 0.959 79 N HN 0.649 nan 8.380 nan 0.000 0.442 80 E N -0.351 119.820 120.200 -0.047 0.000 2.110 80 E HA 0.033 4.383 4.350 0.001 0.000 0.193 80 E C 1.450 177.957 176.600 -0.154 0.000 0.950 80 E CA 0.053 56.418 56.400 -0.059 0.000 0.840 80 E CB 0.260 29.974 29.700 0.024 0.000 0.809 80 E HN -0.030 nan 8.360 nan 0.000 0.465 81 I N 0.999 121.372 120.570 -0.328 0.000 2.193 81 I HA -0.191 3.979 4.170 0.001 0.000 0.240 81 I C 2.358 178.250 176.117 -0.375 0.000 1.084 81 I CA 1.107 62.166 61.300 -0.401 0.000 1.365 81 I CB -1.609 35.972 38.000 -0.698 0.000 1.064 81 I HN 0.252 nan 8.210 nan 0.000 0.410 82 Y N 3.439 123.380 120.300 -0.599 0.000 2.029 82 Y HA -0.251 4.299 4.550 0.000 0.000 0.269 82 Y C -0.398 175.231 175.900 -0.452 0.000 1.201 82 Y CA 2.843 60.464 58.100 -0.799 0.000 1.115 82 Y CB -1.965 35.971 38.460 -0.874 0.000 0.945 82 Y HN 0.152 nan 8.280 nan 0.000 0.497 83 P HA -0.157 nan 4.420 nan 0.000 0.218 83 P C 1.019 178.166 177.300 -0.255 0.000 1.149 83 P CA 2.025 64.963 63.100 -0.269 0.000 0.817 83 P CB -0.117 31.523 31.700 -0.100 0.000 0.785 84 K N -0.464 119.804 120.400 -0.221 0.000 2.097 84 K HA -0.065 4.256 4.320 0.001 0.000 0.206 84 K C 2.283 178.767 176.600 -0.193 0.000 1.049 84 K CA 1.047 57.231 56.287 -0.171 0.000 0.933 84 K CB -0.458 31.956 32.500 -0.144 0.000 0.717 84 K HN 0.200 nan 8.250 nan 0.000 0.442 85 L N 0.293 121.345 121.223 -0.285 0.000 2.049 85 L HA -0.113 4.227 4.340 0.001 0.000 0.203 85 L C 2.516 179.309 176.870 -0.128 0.000 1.074 85 L CA 0.779 55.473 54.840 -0.243 0.000 0.749 85 L CB -0.273 41.538 42.059 -0.414 0.000 0.907 85 L HN 0.082 nan 8.230 nan 0.000 0.439 86 R N 0.553 120.876 120.500 -0.295 0.000 2.091 86 R HA -0.161 4.179 4.340 0.001 0.000 0.238 86 R C 1.939 178.145 176.300 -0.158 0.000 1.136 86 R CA 1.272 57.218 56.100 -0.258 0.000 0.959 86 R CB -0.688 29.304 30.300 -0.512 0.000 0.856 86 R HN 0.481 nan 8.270 nan 0.000 0.437 87 E N 0.486 120.588 120.200 -0.163 0.000 2.338 87 E HA -0.087 4.263 4.350 0.001 0.000 0.197 87 E C 1.456 178.014 176.600 -0.069 0.000 1.007 87 E CA 1.122 57.460 56.400 -0.104 0.000 0.849 87 E CB 0.027 29.668 29.700 -0.098 0.000 0.774 87 E HN 0.255 nan 8.360 nan 0.000 0.506 88 S N -1.110 114.554 115.700 -0.061 0.000 2.575 88 S HA 0.161 4.631 4.470 0.001 0.000 0.215 88 S C 1.443 176.045 174.600 0.004 0.000 0.966 88 S CA 0.566 58.750 58.200 -0.027 0.000 0.911 88 S CB 0.529 63.712 63.200 -0.028 0.000 0.780 88 S HN 0.334 nan 8.310 nan 0.000 0.514 89 G N 0.146 108.944 108.800 -0.003 0.000 2.194 89 G HA2 -0.290 3.670 3.960 0.001 0.000 0.236 89 G HA3 -0.290 3.670 3.960 0.001 0.000 0.236 89 G C -0.136 174.784 174.900 0.033 0.000 0.987 89 G CA -0.146 44.953 45.100 -0.001 0.000 0.635 89 G HN 0.620 nan 8.290 nan 0.000 0.520 90 W N 2.649 123.878 121.300 -0.119 0.000 2.443 90 W HA 0.485 5.145 4.660 0.000 0.000 0.335 90 W C 0.949 177.393 176.519 -0.125 0.000 1.382 90 W CA 0.826 58.106 57.345 -0.108 0.000 1.305 90 W CB 0.399 29.793 29.460 -0.110 0.000 1.283 90 W HN 0.272 nan 8.180 nan 0.000 0.567 91 Q N 4.945 124.362 119.800 -0.639 0.000 2.186 91 Q HA 0.211 4.552 4.340 0.001 0.000 0.241 91 Q C 0.890 176.268 176.000 -1.037 0.000 0.849 91 Q CA -0.199 55.204 55.803 -0.666 0.000 1.053 91 Q CB 0.615 29.117 28.738 -0.392 0.000 1.146 91 Q HN 0.614 nan 8.270 nan 0.000 0.475 92 G N -0.062 107.541 108.800 -1.995 0.000 2.616 92 G HA2 0.203 4.163 3.960 0.001 0.000 0.268 92 G HA3 0.203 4.163 3.960 0.001 0.000 0.268 92 G C -0.884 173.386 174.900 -1.050 0.000 1.213 92 G CA -0.313 43.819 45.100 -1.613 0.000 0.926 92 G HN 0.111 nan 8.290 nan 0.000 0.523 93 Y N -0.594 119.578 120.300 -0.214 0.000 2.319 93 Y HA 0.317 4.868 4.550 0.001 0.000 0.328 93 Y C 0.068 176.218 175.900 0.418 0.000 1.133 93 Y CA -0.630 57.546 58.100 0.126 0.000 1.265 93 Y CB 1.196 39.740 38.460 0.140 0.000 1.218 93 Y HN 0.457 nan 8.280 nan 0.000 0.508 94 W N 6.966 128.542 121.300 0.460 0.000 2.424 94 W HA 0.539 5.199 4.660 0.001 0.000 0.318 94 W C -1.901 174.805 176.519 0.312 0.000 1.016 94 W CA -1.109 56.491 57.345 0.424 0.000 1.268 94 W CB 0.842 30.615 29.460 0.521 0.000 1.297 94 W HN 0.448 nan 8.180 nan 0.000 0.428 95 I N 6.048 126.610 120.570 -0.013 0.000 2.328 95 I HA 0.112 4.282 4.170 0.001 0.000 0.287 95 I C -0.147 175.828 176.117 -0.237 0.000 1.012 95 I CA 0.020 61.309 61.300 -0.019 0.000 1.195 95 I CB 1.146 39.122 38.000 -0.040 0.000 1.350 95 I HN 0.196 nan 8.210 nan 0.000 0.464 96 D N 4.120 124.472 120.400 -0.080 0.000 2.340 96 D HA 0.592 5.232 4.640 0.001 0.000 0.240 96 D C 0.291 176.597 176.300 0.010 0.000 1.001 96 D CA -0.410 53.551 54.000 -0.064 0.000 0.888 96 D CB 2.439 43.329 40.800 0.150 0.000 1.310 96 D HN 0.508 nan 8.370 nan 0.000 0.474 97 A N 1.786 124.607 122.820 0.002 0.000 2.140 97 A HA 0.523 4.843 4.320 0.001 0.000 0.209 97 A C 0.984 178.589 177.584 0.034 0.000 1.181 97 A CA 0.618 52.662 52.037 0.012 0.000 0.824 97 A CB -0.166 18.830 19.000 -0.007 0.000 0.879 97 A HN 0.571 nan 8.150 nan 0.000 0.480 98 A N 0.551 123.404 122.820 0.055 0.000 2.445 98 A HA 0.424 4.744 4.320 0.001 0.000 0.242 98 A C 1.551 179.170 177.584 0.059 0.000 1.075 98 A CA 0.423 52.500 52.037 0.067 0.000 0.777 98 A CB 0.149 19.209 19.000 0.100 0.000 1.013 98 A HN 0.964 nan 8.150 nan 0.000 0.493 99 S N 1.307 117.036 115.700 0.047 0.000 2.453 99 S HA -0.121 4.349 4.470 0.001 0.000 0.231 99 S C 1.741 176.350 174.600 0.016 0.000 1.005 99 S CA 1.162 59.381 58.200 0.032 0.000 0.949 99 S CB -0.644 62.576 63.200 0.033 0.000 0.774 99 S HN 0.783 nan 8.310 nan 0.000 0.510 100 S N 2.940 118.652 115.700 0.020 0.000 2.406 100 S HA -0.191 4.279 4.470 0.001 0.000 0.242 100 S C 1.581 176.152 174.600 -0.047 0.000 1.079 100 S CA 2.124 60.321 58.200 -0.005 0.000 1.133 100 S CB -0.760 62.443 63.200 0.005 0.000 1.005 100 S HN 0.589 nan 8.310 nan 0.000 0.443 101 L N 0.478 121.656 121.223 -0.074 0.000 2.567 101 L HA 0.193 4.533 4.340 0.001 0.000 0.225 101 L C 2.319 179.144 176.870 -0.075 0.000 1.119 101 L CA -0.000 54.762 54.840 -0.130 0.000 0.871 101 L CB -0.275 41.616 42.059 -0.280 0.000 1.036 101 L HN 0.156 nan 8.230 nan 0.000 0.459 102 R N 0.133 120.613 120.500 -0.034 0.000 2.140 102 R HA -0.201 4.139 4.340 0.001 0.000 0.250 102 R C 1.548 177.831 176.300 -0.029 0.000 1.150 102 R CA 1.371 57.460 56.100 -0.018 0.000 0.966 102 R CB -0.297 30.001 30.300 -0.003 0.000 0.869 102 R HN 0.273 nan 8.270 nan 0.000 0.445 103 M N 0.706 120.285 119.600 -0.035 0.000 2.495 103 M HA 0.088 4.569 4.480 0.001 0.000 0.237 103 M C -0.026 176.250 176.300 -0.039 0.000 1.131 103 M CA 0.115 55.394 55.300 -0.035 0.000 1.032 103 M CB -0.063 32.516 32.600 -0.035 0.000 1.513 103 M HN -0.191 nan 8.290 nan 0.000 0.488 104 K N 1.346 121.716 120.400 -0.050 0.000 2.382 104 K HA 0.001 4.322 4.320 0.001 0.000 0.275 104 K C 0.723 177.297 176.600 -0.043 0.000 1.009 104 K CA 0.058 56.316 56.287 -0.047 0.000 0.970 104 K CB 0.673 33.135 32.500 -0.063 0.000 0.934 104 K HN 0.144 nan 8.250 nan 0.000 0.479 105 D N 1.368 121.747 120.400 -0.033 0.000 2.264 105 D HA -0.140 4.501 4.640 0.001 0.000 0.208 105 D C 0.540 176.816 176.300 -0.039 0.000 0.966 105 D CA 1.192 55.173 54.000 -0.032 0.000 0.864 105 D CB 0.344 41.130 40.800 -0.025 0.000 0.933 105 D HN 0.546 nan 8.370 nan 0.000 0.499 106 D N -0.250 120.125 120.400 -0.042 0.000 2.427 106 D HA 0.237 4.878 4.640 0.001 0.000 0.224 106 D C -0.062 176.182 176.300 -0.093 0.000 1.157 106 D CA -0.304 53.664 54.000 -0.054 0.000 0.828 106 D CB 0.117 40.898 40.800 -0.031 0.000 0.974 106 D HN -0.054 nan 8.370 nan 0.000 0.498 107 A N 0.147 122.905 122.820 -0.104 0.000 2.413 107 A HA 0.723 5.043 4.320 0.001 0.000 0.307 107 A C -0.858 176.644 177.584 -0.136 0.000 1.087 107 A CA -0.807 51.138 52.037 -0.152 0.000 0.750 107 A CB 1.437 20.369 19.000 -0.114 0.000 1.296 107 A HN 0.208 nan 8.150 nan 0.000 0.423 108 I N 1.884 122.348 120.570 -0.177 0.000 2.465 108 I HA 0.320 4.490 4.170 0.001 0.000 0.291 108 I C -0.772 175.381 176.117 0.060 0.000 1.014 108 I CA -0.524 60.751 61.300 -0.042 0.000 1.093 108 I CB 1.892 39.902 38.000 0.016 0.000 1.267 108 I HN 0.526 nan 8.210 nan 0.000 0.431 109 I N 6.910 127.515 120.570 0.058 0.000 2.379 109 I HA 0.212 4.382 4.170 0.001 0.000 0.290 109 I C 0.261 176.437 176.117 0.098 0.000 1.063 109 I CA -0.362 60.979 61.300 0.068 0.000 1.351 109 I CB 0.388 38.406 38.000 0.030 0.000 1.410 109 I HN 0.397 nan 8.210 nan 0.000 0.505 110 I N 5.293 125.939 120.570 0.127 0.000 2.395 110 I HA 0.518 4.689 4.170 0.001 0.000 0.289 110 I C -0.480 175.680 176.117 0.071 0.000 1.023 110 I CA -0.495 60.874 61.300 0.114 0.000 1.350 110 I CB 1.378 39.451 38.000 0.121 0.000 1.409 110 I HN 0.496 nan 8.210 nan 0.000 0.507 111 L N 7.091 128.347 121.223 0.056 0.000 2.338 111 L HA 0.139 4.479 4.340 0.001 0.000 0.264 111 L C 0.760 177.650 176.870 0.033 0.000 1.502 111 L CA 0.034 54.900 54.840 0.044 0.000 0.751 111 L CB 0.189 42.251 42.059 0.004 0.000 0.926 111 L HN 0.854 nan 8.230 nan 0.000 0.528 112 D N 0.523 120.952 120.400 0.048 0.000 2.149 112 D HA -0.208 4.432 4.640 0.001 0.000 0.194 112 D C -1.194 175.136 176.300 0.051 0.000 1.001 112 D CA 1.615 55.641 54.000 0.043 0.000 0.849 112 D CB -0.929 39.895 40.800 0.040 0.000 0.939 112 D HN 0.394 nan 8.370 nan 0.000 0.449 113 P HA -0.038 nan 4.420 nan 0.000 0.228 113 P C 1.545 178.903 177.300 0.095 0.000 1.151 113 P CA 0.577 63.724 63.100 0.078 0.000 0.770 113 P CB 0.188 31.887 31.700 -0.002 0.000 0.786 114 V N -0.525 119.434 119.914 0.075 0.000 2.911 114 V HA 0.077 4.197 4.120 0.001 0.000 0.237 114 V C 1.100 177.241 176.094 0.078 0.000 1.156 114 V CA 1.255 63.632 62.300 0.128 0.000 1.180 114 V CB -0.403 31.436 31.823 0.027 0.000 0.932 114 V HN 0.203 nan 8.190 nan 0.000 0.483 115 N N 0.143 118.868 118.700 0.042 0.000 2.480 115 N HA 0.086 4.827 4.740 0.001 0.000 0.281 115 N C 0.965 176.497 175.510 0.038 0.000 1.381 115 N CA -0.122 52.951 53.050 0.038 0.000 0.903 115 N CB 0.547 39.052 38.487 0.030 0.000 1.274 115 N HN 0.321 nan 8.380 nan 0.000 0.505 116 Q N 1.599 121.417 119.800 0.030 0.000 2.096 116 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 116 Q C 1.079 177.091 176.000 0.021 0.000 0.982 116 Q CA 2.374 58.188 55.803 0.019 0.000 0.850 116 Q CB -0.152 28.593 28.738 0.012 0.000 0.901 116 Q HN 0.519 nan 8.270 nan 0.000 0.422 117 D N -0.822 119.592 120.400 0.023 0.000 2.144 117 D HA -0.146 4.494 4.640 0.001 0.000 0.199 117 D C 1.761 178.084 176.300 0.038 0.000 0.984 117 D CA 1.392 55.407 54.000 0.025 0.000 0.834 117 D CB -0.532 40.281 40.800 0.021 0.000 0.955 117 D HN 0.292 nan 8.370 nan 0.000 0.465 118 V N 0.647 120.588 119.914 0.046 0.000 2.667 118 V HA -0.130 3.990 4.120 0.001 0.000 0.252 118 V C 2.579 178.731 176.094 0.096 0.000 1.065 118 V CA 0.775 63.111 62.300 0.059 0.000 1.083 118 V CB -0.331 31.524 31.823 0.054 0.000 0.692 118 V HN 0.124 nan 8.190 nan 0.000 0.468 119 I N 0.415 121.044 120.570 0.098 0.000 2.235 119 I HA -0.183 3.987 4.170 0.001 0.000 0.241 119 I C 2.689 178.876 176.117 0.117 0.000 1.085 119 I CA 1.874 63.262 61.300 0.147 0.000 1.378 119 I CB -0.550 37.474 38.000 0.040 0.000 1.076 119 I HN 0.403 nan 8.210 nan 0.000 0.415 120 T N -0.991 113.593 114.554 0.049 0.000 2.720 120 T HA -0.204 4.146 4.350 0.001 0.000 0.268 120 T C 1.488 176.226 174.700 0.063 0.000 1.037 120 T CA 1.641 63.763 62.100 0.036 0.000 1.144 120 T CB -0.588 68.288 68.868 0.014 0.000 0.864 120 T HN 0.206 nan 8.240 nan 0.000 0.444 121 D N 1.807 122.245 120.400 0.063 0.000 2.088 121 D HA -0.017 4.624 4.640 0.001 0.000 0.191 121 D C 2.537 178.885 176.300 0.081 0.000 0.992 121 D CA 1.616 55.652 54.000 0.059 0.000 0.831 121 D CB -1.125 39.704 40.800 0.048 0.000 0.973 121 D HN 0.499 nan 8.370 nan 0.000 0.447 122 G N 0.378 109.242 108.800 0.107 0.000 2.475 122 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 122 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 122 G C 1.520 176.527 174.900 0.178 0.000 1.125 122 G CA 0.448 45.619 45.100 0.117 0.000 0.755 122 G HN 0.153 nan 8.290 nan 0.000 0.565 123 L N 1.271 122.638 121.223 0.240 0.000 2.046 123 L HA -0.007 4.333 4.340 0.001 0.000 0.208 123 L C 2.263 179.236 176.870 0.173 0.000 1.077 123 L CA 1.512 56.513 54.840 0.269 0.000 0.747 123 L CB -0.718 41.429 42.059 0.147 0.000 0.896 123 L HN 0.151 nan 8.230 nan 0.000 0.432 124 N N -0.227 118.539 118.700 0.109 0.000 2.409 124 N HA -0.068 4.672 4.740 0.001 0.000 0.179 124 N C 0.876 176.422 175.510 0.059 0.000 1.032 124 N CA 0.633 53.727 53.050 0.073 0.000 0.898 124 N CB -0.267 38.250 38.487 0.050 0.000 0.971 124 N HN 0.449 nan 8.380 nan 0.000 0.441 125 N N 0.426 119.163 118.700 0.062 0.000 2.370 125 N HA 0.075 4.815 4.740 0.001 0.000 0.198 125 N C 0.669 176.197 175.510 0.030 0.000 1.156 125 N CA 0.340 53.413 53.050 0.037 0.000 0.839 125 N CB 0.494 38.998 38.487 0.029 0.000 0.989 125 N HN 0.186 nan 8.380 nan 0.000 0.468 126 G N 1.021 109.852 108.800 0.051 0.000 2.182 126 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 126 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 126 G C -0.256 174.654 174.900 0.017 0.000 1.042 126 G CA -0.443 44.674 45.100 0.029 0.000 0.775 126 G HN 0.226 nan 8.290 nan 0.000 0.501 127 I N 0.727 121.330 120.570 0.055 0.000 2.325 127 I HA 0.342 4.512 4.170 0.001 0.000 0.291 127 I C 1.048 177.177 176.117 0.020 0.000 1.019 127 I CA -0.423 60.845 61.300 -0.054 0.000 1.302 127 I CB 1.267 39.163 38.000 -0.173 0.000 1.401 127 I HN 0.140 nan 8.210 nan 0.000 0.485 128 R N 3.259 123.742 120.500 -0.030 0.000 2.509 128 R HA 0.231 4.572 4.340 0.001 0.000 0.300 128 R C -0.267 176.150 176.300 0.195 0.000 0.985 128 R CA -0.072 56.123 56.100 0.159 0.000 1.092 128 R CB 0.205 30.413 30.300 -0.153 0.000 1.237 128 R HN 0.410 nan 8.270 nan 0.000 0.546 129 T N 1.691 116.149 114.554 -0.160 0.000 2.847 129 T HA 0.553 4.903 4.350 0.001 0.000 0.291 129 T C -1.035 173.422 174.700 -0.404 0.000 0.998 129 T CA -0.262 61.825 62.100 -0.023 0.000 0.967 129 T CB 0.669 69.558 68.868 0.036 0.000 0.954 129 T HN -0.080 nan 8.240 nan 0.000 0.441 130 F N 2.329 122.401 119.950 0.203 0.000 2.507 130 F HA 0.631 5.159 4.527 0.001 0.000 0.328 130 F C -0.150 175.704 175.800 0.091 0.000 1.136 130 F CA -1.028 57.037 58.000 0.108 0.000 0.930 130 F CB 1.609 40.646 39.000 0.062 0.000 1.166 130 F HN 0.191 nan 8.300 nan 0.000 0.436 131 V N 1.875 121.904 119.914 0.191 0.000 2.628 131 V HA 0.771 4.891 4.120 0.001 0.000 0.306 131 V C 0.393 176.544 176.094 0.096 0.000 1.045 131 V CA -1.060 61.315 62.300 0.124 0.000 0.905 131 V CB 1.726 33.594 31.823 0.076 0.000 0.997 131 V HN 0.886 nan 8.190 nan 0.000 0.436 132 G N 1.567 110.409 108.800 0.069 0.000 2.503 132 G HA2 0.552 4.512 3.960 0.001 0.000 0.257 132 G HA3 0.552 4.512 3.960 0.001 0.000 0.257 132 G C 0.282 175.209 174.900 0.046 0.000 1.214 132 G CA 0.282 45.414 45.100 0.053 0.000 0.839 132 G HN 1.080 nan 8.290 nan 0.000 0.559 133 G N -0.212 108.613 108.800 0.041 0.000 2.568 133 G HA2 0.354 4.314 3.960 0.001 0.000 0.293 133 G HA3 0.354 4.314 3.960 0.001 0.000 0.293 133 G C 0.154 175.078 174.900 0.040 0.000 1.347 133 G CA -0.786 44.334 45.100 0.034 0.000 1.039 133 G HN 0.635 nan 8.290 nan 0.000 0.523 134 N N -0.725 118.000 118.700 0.042 0.000 2.294 134 N HA -0.083 4.658 4.740 0.001 0.000 0.248 134 N C 1.831 177.384 175.510 0.073 0.000 1.242 134 N CA 0.124 53.210 53.050 0.060 0.000 0.848 134 N CB 0.632 39.157 38.487 0.063 0.000 1.084 134 N HN 0.524 nan 8.380 nan 0.000 0.457 135 C N 0.237 119.594 119.300 0.095 0.000 2.419 135 C HA -0.079 4.381 4.460 0.001 0.000 0.281 135 C C 2.288 177.381 174.990 0.171 0.000 1.336 135 C CA 0.858 59.939 59.018 0.104 0.000 1.770 135 C CB -1.696 26.096 27.740 0.087 0.000 1.929 135 C HN 0.829 nan 8.230 nan 0.000 0.509 136 T N -0.367 114.295 114.554 0.181 0.000 2.939 136 T HA 0.013 4.363 4.350 0.001 0.000 0.254 136 T C 1.706 176.484 174.700 0.129 0.000 1.041 136 T CA 1.260 63.465 62.100 0.174 0.000 1.142 136 T CB -0.759 68.181 68.868 0.121 0.000 0.874 136 T HN 0.333 nan 8.240 nan 0.000 0.452 137 V N 1.959 121.925 119.914 0.087 0.000 2.287 137 V HA -0.195 3.926 4.120 0.001 0.000 0.248 137 V C 3.070 179.166 176.094 0.004 0.000 1.053 137 V CA 2.091 64.414 62.300 0.038 0.000 1.027 137 V CB -1.169 30.659 31.823 0.007 0.000 0.646 137 V HN 0.504 nan 8.190 nan 0.000 0.447 138 S N -0.037 115.676 115.700 0.020 0.000 2.377 138 S HA -0.229 4.242 4.470 0.001 0.000 0.224 138 S C 1.889 176.483 174.600 -0.010 0.000 1.042 138 S CA 2.158 60.362 58.200 0.006 0.000 1.086 138 S CB -0.489 62.741 63.200 0.051 0.000 0.995 138 S HN 0.480 nan 8.310 nan 0.000 0.428 139 L N 1.040 122.290 121.223 0.046 0.000 2.079 139 L HA -0.177 4.164 4.340 0.001 0.000 0.210 139 L C 2.610 179.498 176.870 0.031 0.000 1.081 139 L CA 1.601 56.470 54.840 0.048 0.000 0.752 139 L CB -0.558 41.567 42.059 0.111 0.000 0.896 139 L HN 0.449 nan 8.230 nan 0.000 0.433 140 M N -0.102 119.541 119.600 0.072 0.000 2.086 140 M HA -0.229 4.251 4.480 0.001 0.000 0.261 140 M C 2.256 178.499 176.300 -0.095 0.000 1.067 140 M CA 1.902 57.232 55.300 0.050 0.000 1.116 140 M CB -0.061 32.618 32.600 0.133 0.000 1.348 140 M HN 0.193 nan 8.290 nan 0.000 0.407 141 L N -0.031 121.105 121.223 -0.144 0.000 2.093 141 L HA -0.205 4.136 4.340 0.001 0.000 0.208 141 L C 2.682 179.430 176.870 -0.204 0.000 1.085 141 L CA 0.802 55.504 54.840 -0.229 0.000 0.755 141 L CB -0.604 41.293 42.059 -0.270 0.000 0.904 141 L HN 0.411 nan 8.230 nan 0.000 0.435 142 M N -0.852 118.629 119.600 -0.198 0.000 2.149 142 M HA -0.178 4.303 4.480 0.001 0.000 0.261 142 M C 2.397 178.601 176.300 -0.160 0.000 1.064 142 M CA 1.557 56.704 55.300 -0.255 0.000 1.102 142 M CB -1.001 31.358 32.600 -0.402 0.000 1.369 142 M HN 0.152 nan 8.290 nan 0.000 0.408 143 S N 0.127 115.758 115.700 -0.115 0.000 2.356 143 S HA 0.150 4.620 4.470 0.001 0.000 0.219 143 S C 1.655 176.192 174.600 -0.104 0.000 1.036 143 S CA 0.549 58.705 58.200 -0.072 0.000 0.965 143 S CB 0.025 63.205 63.200 -0.034 0.000 0.864 143 S HN 0.424 nan 8.310 nan 0.000 0.471 144 L N 1.823 122.971 121.223 -0.124 0.000 2.645 144 L HA 0.225 4.566 4.340 0.001 0.000 0.234 144 L C 2.179 179.022 176.870 -0.045 0.000 1.165 144 L CA -0.041 54.738 54.840 -0.102 0.000 0.944 144 L CB -0.969 41.027 42.059 -0.104 0.000 1.149 144 L HN 0.347 nan 8.230 nan 0.000 0.446 145 G N 1.217 109.863 108.800 -0.256 0.000 2.553 145 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 145 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 145 G C 1.571 176.154 174.900 -0.528 0.000 1.195 145 G CA 0.942 45.664 45.100 -0.630 0.000 0.779 145 G HN 0.477 nan 8.290 nan 0.000 0.577 146 G N 0.595 109.160 108.800 -0.392 0.000 2.507 146 G HA2 -0.211 3.750 3.960 0.001 0.000 0.221 146 G HA3 -0.211 3.750 3.960 0.001 0.000 0.221 146 G C 1.813 176.679 174.900 -0.056 0.000 1.119 146 G CA 0.965 46.040 45.100 -0.042 0.000 0.751 146 G HN 0.451 nan 8.290 nan 0.000 0.574 147 L N -1.246 119.894 121.223 -0.139 0.000 2.072 147 L HA 0.105 4.445 4.340 0.001 0.000 0.205 147 L C 2.660 179.371 176.870 -0.264 0.000 1.079 147 L CA 0.642 55.337 54.840 -0.243 0.000 0.752 147 L CB -0.300 41.517 42.059 -0.403 0.000 0.906 147 L HN 0.162 nan 8.230 nan 0.000 0.436 148 F N -0.116 119.750 119.950 -0.139 0.000 2.163 148 F HA -0.076 4.452 4.527 0.000 0.000 0.297 148 F C 2.555 178.321 175.800 -0.057 0.000 1.094 148 F CA 0.968 58.906 58.000 -0.102 0.000 1.290 148 F CB -0.675 38.255 39.000 -0.116 0.000 1.017 148 F HN -0.034 nan 8.300 nan 0.000 0.483 149 A N -0.516 122.396 122.820 0.153 0.000 2.225 149 A HA -0.128 4.193 4.320 0.001 0.000 0.215 149 A C 1.462 179.095 177.584 0.082 0.000 1.164 149 A CA 1.345 53.469 52.037 0.146 0.000 0.710 149 A CB -0.761 18.404 19.000 0.275 0.000 0.780 149 A HN 0.490 nan 8.150 nan 0.000 0.473 150 N N -0.491 118.228 118.700 0.032 0.000 2.235 150 N HA 0.047 4.787 4.740 0.001 0.000 0.231 150 N C -0.815 174.680 175.510 -0.025 0.000 1.177 150 N CA 0.150 53.200 53.050 -0.000 0.000 0.874 150 N CB 0.504 38.979 38.487 -0.021 0.000 1.097 150 N HN 0.240 nan 8.380 nan 0.000 0.518 151 D N 1.042 121.434 120.400 -0.015 0.000 2.686 151 D HA -0.170 4.470 4.640 0.001 0.000 0.235 151 D C 0.393 176.644 176.300 -0.082 0.000 1.160 151 D CA 0.508 54.491 54.000 -0.028 0.000 0.645 151 D CB -1.030 39.764 40.800 -0.010 0.000 1.039 151 D HN 0.397 nan 8.370 nan 0.000 0.423 152 L N -0.967 120.169 121.223 -0.146 0.000 2.766 152 L HA 0.213 4.553 4.340 0.001 0.000 0.242 152 L C 0.455 177.157 176.870 -0.279 0.000 1.136 152 L CA -0.151 54.575 54.840 -0.191 0.000 0.933 152 L CB 0.733 42.678 42.059 -0.190 0.000 1.241 152 L HN -0.065 nan 8.230 nan 0.000 0.522 153 V N -0.329 119.389 119.914 -0.328 0.000 2.439 153 V HA 0.117 4.237 4.120 0.001 0.000 0.282 153 V C 0.326 176.281 176.094 -0.231 0.000 1.039 153 V CA -0.171 61.891 62.300 -0.398 0.000 0.913 153 V CB 1.951 33.368 31.823 -0.678 0.000 0.983 153 V HN 0.051 nan 8.190 nan 0.000 0.460 154 D N 3.164 123.390 120.400 -0.290 0.000 2.369 154 D HA 0.170 4.810 4.640 0.001 0.000 0.231 154 D C 0.064 176.380 176.300 0.026 0.000 0.967 154 D CA 0.759 54.652 54.000 -0.178 0.000 0.905 154 D CB 0.527 41.126 40.800 -0.336 0.000 1.044 154 D HN 0.665 nan 8.370 nan 0.000 0.487 155 W N -0.987 120.269 121.300 -0.073 0.000 3.059 155 W HA 0.531 5.192 4.660 0.001 0.000 0.329 155 W C -2.089 174.428 176.519 -0.003 0.000 1.246 155 W CA -0.926 56.413 57.345 -0.011 0.000 1.190 155 W CB 0.390 29.848 29.460 -0.003 0.000 1.423 155 W HN -0.449 nan 8.180 nan 0.000 0.571 156 V N 1.784 122.058 119.914 0.600 0.000 2.588 156 V HA 0.444 4.564 4.120 0.001 0.000 0.304 156 V C -0.282 176.163 176.094 0.584 0.000 1.042 156 V CA -0.577 62.028 62.300 0.508 0.000 0.877 156 V CB 1.466 33.516 31.823 0.377 0.000 0.996 156 V HN 0.530 nan 8.190 nan 0.000 0.425 157 S N 3.313 119.377 115.700 0.606 0.000 2.437 157 S HA 0.840 5.311 4.470 0.001 0.000 0.305 157 S C -0.783 174.005 174.600 0.313 0.000 1.109 157 S CA -0.380 58.067 58.200 0.411 0.000 1.099 157 S CB 1.190 64.672 63.200 0.469 0.000 1.004 157 S HN 0.532 nan 8.310 nan 0.000 0.475 158 V N 2.705 122.718 119.914 0.165 0.000 2.876 158 V HA 0.924 5.045 4.120 0.001 0.000 0.312 158 V C -0.390 175.661 176.094 -0.072 0.000 1.085 158 V CA -0.922 61.374 62.300 -0.008 0.000 0.945 158 V CB 1.840 33.650 31.823 -0.022 0.000 1.017 158 V HN 1.003 nan 8.190 nan 0.000 0.428 159 A N 1.808 124.539 122.820 -0.148 0.000 2.375 159 A HA 0.844 5.164 4.320 0.001 0.000 0.295 159 A C -0.204 177.274 177.584 -0.177 0.000 1.066 159 A CA -0.295 51.657 52.037 -0.143 0.000 0.722 159 A CB 1.546 20.500 19.000 -0.077 0.000 1.206 159 A HN 1.056 nan 8.150 nan 0.000 0.435 160 T N -0.955 113.457 114.554 -0.237 0.000 2.918 160 T HA 0.687 5.037 4.350 0.001 0.000 0.286 160 T C -1.006 173.524 174.700 -0.282 0.000 1.026 160 T CA -0.397 61.603 62.100 -0.168 0.000 1.031 160 T CB 0.900 69.660 68.868 -0.179 0.000 1.046 160 T HN 0.409 nan 8.240 nan 0.000 0.479 161 Y N 0.895 121.118 120.300 -0.129 0.000 2.863 161 Y HA 0.407 4.957 4.550 0.001 0.000 0.348 161 Y C 0.586 176.415 175.900 -0.118 0.000 1.028 161 Y CA -1.070 56.990 58.100 -0.067 0.000 1.213 161 Y CB 0.460 38.942 38.460 0.037 0.000 1.120 161 Y HN 0.628 nan 8.280 nan 0.000 0.598 162 Q N 1.604 121.329 119.800 -0.126 0.000 2.293 162 Q HA 0.672 5.012 4.340 0.001 0.000 0.251 162 Q C 0.148 176.180 176.000 0.053 0.000 0.930 162 Q CA -0.555 55.060 55.803 -0.313 0.000 0.893 162 Q CB 1.501 29.922 28.738 -0.529 0.000 1.215 162 Q HN 0.736 nan 8.270 nan 0.000 0.425 163 A N 1.345 124.374 122.820 0.348 0.000 2.280 163 A HA 0.513 4.833 4.320 0.001 0.000 0.268 163 A C 0.756 178.530 177.584 0.316 0.000 1.111 163 A CA 0.315 52.543 52.037 0.319 0.000 0.814 163 A CB 0.245 19.419 19.000 0.291 0.000 1.093 163 A HN 0.906 nan 8.150 nan 0.000 0.498 164 A N -0.163 122.828 122.820 0.286 0.000 2.016 164 A HA 0.061 4.381 4.320 0.001 0.000 0.217 164 A C 2.251 179.958 177.584 0.205 0.000 1.162 164 A CA 1.744 54.010 52.037 0.381 0.000 0.662 164 A CB -1.056 18.203 19.000 0.432 0.000 0.812 164 A HN 1.629 nan 8.150 nan 0.000 0.450 165 S N -0.174 115.603 115.700 0.128 0.000 2.440 165 S HA -0.043 4.427 4.470 0.001 0.000 0.238 165 S C 1.867 176.463 174.600 -0.008 0.000 1.010 165 S CA 1.316 59.535 58.200 0.031 0.000 0.972 165 S CB -0.945 62.254 63.200 -0.002 0.000 0.774 165 S HN 0.634 nan 8.310 nan 0.000 0.501 166 G N 0.872 109.715 108.800 0.072 0.000 2.471 166 G HA2 0.205 4.165 3.960 0.001 0.000 0.219 166 G HA3 0.205 4.165 3.960 0.001 0.000 0.219 166 G C 1.230 176.113 174.900 -0.028 0.000 1.125 166 G CA 0.518 45.669 45.100 0.084 0.000 0.775 166 G HN 0.646 nan 8.290 nan 0.000 0.548 167 G N -0.560 108.149 108.800 -0.152 0.000 2.486 167 G HA2 0.462 4.422 3.960 0.001 0.000 0.210 167 G HA3 0.462 4.422 3.960 0.001 0.000 0.210 167 G C 0.661 175.062 174.900 -0.831 0.000 1.168 167 G CA 0.910 45.625 45.100 -0.641 0.000 0.820 167 G HN 1.187 nan 8.290 nan 0.000 0.544 168 G N -2.264 106.225 108.800 -0.518 0.000 2.352 168 G HA2 0.495 4.456 3.960 0.001 0.000 0.302 168 G HA3 0.495 4.456 3.960 0.001 0.000 0.302 168 G C 0.602 175.473 174.900 -0.050 0.000 1.370 168 G CA 0.163 45.121 45.100 -0.238 0.000 0.918 168 G HN 0.846 nan 8.290 nan 0.000 0.610 169 A N -0.165 122.651 122.820 -0.007 0.000 1.940 169 A HA -0.041 4.279 4.320 0.001 0.000 0.219 169 A C 2.381 180.001 177.584 0.060 0.000 1.176 169 A CA 2.218 54.269 52.037 0.024 0.000 0.631 169 A CB -0.422 18.582 19.000 0.007 0.000 0.814 169 A HN 0.629 nan 8.150 nan 0.000 0.446 170 R N -1.183 119.371 120.500 0.089 0.000 2.091 170 R HA -0.159 4.181 4.340 0.001 0.000 0.238 170 R C 2.030 178.355 176.300 0.043 0.000 1.136 170 R CA 1.802 57.943 56.100 0.069 0.000 0.959 170 R CB -0.708 29.628 30.300 0.060 0.000 0.856 170 R HN 0.711 nan 8.270 nan 0.000 0.437 171 H N 0.464 119.426 119.070 -0.179 0.000 2.353 171 H HA -0.020 4.536 4.556 0.000 0.000 0.300 171 H C 2.120 177.458 175.328 0.017 0.000 1.090 171 H CA 1.486 57.344 56.048 -0.315 0.000 1.327 171 H CB -0.314 29.151 29.762 -0.495 0.000 1.383 171 H HN 0.108 nan 8.280 nan 0.000 0.508 172 M N -0.187 119.527 119.600 0.189 0.000 2.159 172 M HA -0.137 4.343 4.480 0.001 0.000 0.263 172 M C 2.121 178.497 176.300 0.126 0.000 1.063 172 M CA 1.433 56.833 55.300 0.167 0.000 1.110 172 M CB -0.038 32.626 32.600 0.107 0.000 1.374 172 M HN 0.191 nan 8.290 nan 0.000 0.411 173 R N -0.066 120.486 120.500 0.086 0.000 2.073 173 R HA -0.107 4.233 4.340 0.001 0.000 0.229 173 R C 2.043 178.384 176.300 0.068 0.000 1.120 173 R CA 1.231 57.366 56.100 0.058 0.000 0.967 173 R CB -0.479 29.840 30.300 0.032 0.000 0.862 173 R HN 0.503 nan 8.270 nan 0.000 0.436 174 E N 1.017 121.263 120.200 0.078 0.000 2.049 174 E HA -0.232 4.119 4.350 0.001 0.000 0.198 174 E C 2.001 178.699 176.600 0.163 0.000 1.007 174 E CA 1.231 57.694 56.400 0.105 0.000 0.809 174 E CB -0.069 29.684 29.700 0.088 0.000 0.749 174 E HN 0.057 nan 8.360 nan 0.000 0.450 175 L N 1.013 122.380 121.223 0.241 0.000 1.990 175 L HA -0.224 4.116 4.340 0.001 0.000 0.213 175 L C 2.214 179.152 176.870 0.112 0.000 1.072 175 L CA 1.774 56.732 54.840 0.197 0.000 0.755 175 L CB -0.620 41.573 42.059 0.224 0.000 0.889 175 L HN 0.261 nan 8.230 nan 0.000 0.432 176 L N -1.327 119.951 121.223 0.092 0.000 2.131 176 L HA -0.216 4.124 4.340 0.001 0.000 0.210 176 L C 2.332 179.215 176.870 0.021 0.000 1.092 176 L CA 1.632 56.501 54.840 0.049 0.000 0.759 176 L CB -0.709 41.373 42.059 0.038 0.000 0.903 176 L HN 0.364 nan 8.230 nan 0.000 0.435 177 T N -1.097 113.470 114.554 0.022 0.000 2.770 177 T HA -0.183 4.167 4.350 0.001 0.000 0.263 177 T C 1.849 176.523 174.700 -0.044 0.000 1.039 177 T CA 1.118 63.194 62.100 -0.039 0.000 1.142 177 T CB -0.036 68.820 68.868 -0.020 0.000 0.868 177 T HN 0.371 nan 8.240 nan 0.000 0.435 178 Q N 0.384 120.229 119.800 0.075 0.000 2.181 178 Q HA -0.012 4.329 4.340 0.001 0.000 0.205 178 Q C 2.338 178.410 176.000 0.120 0.000 0.980 178 Q CA 1.152 57.046 55.803 0.151 0.000 0.862 178 Q CB -0.255 28.567 28.738 0.139 0.000 0.905 178 Q HN 0.497 nan 8.270 nan 0.000 0.429 179 M N -0.575 119.070 119.600 0.075 0.000 2.279 179 M HA -0.110 4.370 4.480 0.001 0.000 0.264 179 M C 1.956 178.304 176.300 0.081 0.000 1.062 179 M CA 1.432 56.774 55.300 0.071 0.000 1.099 179 M CB -0.268 32.358 32.600 0.042 0.000 1.394 179 M HN 0.338 nan 8.290 nan 0.000 0.426 180 G N -1.917 106.904 108.800 0.034 0.000 2.662 180 G HA2 -0.112 3.848 3.960 0.001 0.000 0.212 180 G HA3 -0.112 3.848 3.960 0.001 0.000 0.212 180 G C 1.206 176.167 174.900 0.101 0.000 1.141 180 G CA 0.075 45.200 45.100 0.042 0.000 0.797 180 G HN 0.361 nan 8.290 nan 0.000 0.531 181 H N 0.549 119.679 119.070 0.101 0.000 2.395 181 H HA 0.147 4.703 4.556 0.001 0.000 0.299 181 H C 2.615 178.010 175.328 0.111 0.000 1.070 181 H CA 0.670 56.768 56.048 0.082 0.000 1.356 181 H CB -0.041 29.744 29.762 0.038 0.000 1.401 181 H HN 0.249 nan 8.280 nan 0.000 0.524 182 L N -0.721 120.655 121.223 0.254 0.000 2.005 182 L HA -0.201 4.139 4.340 0.001 0.000 0.207 182 L C 2.481 179.484 176.870 0.221 0.000 1.072 182 L CA 1.372 56.340 54.840 0.214 0.000 0.744 182 L CB -0.743 41.415 42.059 0.165 0.000 0.895 182 L HN 0.190 nan 8.230 nan 0.000 0.433 183 Y N 1.123 121.484 120.300 0.101 0.000 2.097 183 Y HA -0.208 4.342 4.550 0.001 0.000 0.282 183 Y C 2.363 178.309 175.900 0.077 0.000 1.152 183 Y CA 1.733 59.875 58.100 0.071 0.000 1.136 183 Y CB -0.692 37.796 38.460 0.047 0.000 0.975 183 Y HN 0.067 nan 8.280 nan 0.000 0.498 184 G N -1.197 107.698 108.800 0.158 0.000 2.446 184 G HA2 -0.400 3.561 3.960 0.001 0.000 0.217 184 G HA3 -0.400 3.561 3.960 0.001 0.000 0.217 184 G C 1.354 176.258 174.900 0.007 0.000 1.168 184 G CA 1.235 46.365 45.100 0.050 0.000 0.771 184 G HN 0.613 nan 8.290 nan 0.000 0.551 185 H N -0.468 118.600 119.070 -0.004 0.000 2.554 185 H HA 0.100 4.657 4.556 0.001 0.000 0.290 185 H C 1.073 176.364 175.328 -0.062 0.000 1.058 185 H CA 1.165 57.204 56.048 -0.015 0.000 1.224 185 H CB 0.097 29.869 29.762 0.016 0.000 1.359 185 H HN 0.133 nan 8.280 nan 0.000 0.589 186 V N -0.860 118.930 119.914 -0.207 0.000 3.486 186 V HA 0.255 4.375 4.120 0.001 0.000 0.335 186 V C 1.680 177.581 176.094 -0.323 0.000 1.506 186 V CA 0.445 62.582 62.300 -0.272 0.000 1.206 186 V CB 0.041 31.742 31.823 -0.203 0.000 1.049 186 V HN 0.521 nan 8.190 nan 0.000 0.502 187 A N 0.442 123.011 122.820 -0.419 0.000 1.873 187 A HA -0.243 4.077 4.320 0.001 0.000 0.218 187 A C 1.885 179.308 177.584 -0.269 0.000 1.193 187 A CA 2.613 54.322 52.037 -0.546 0.000 0.629 187 A CB -0.417 18.333 19.000 -0.417 0.000 0.826 187 A HN 0.503 nan 8.150 nan 0.000 0.447 188 D N -0.067 120.230 120.400 -0.173 0.000 2.137 188 D HA -0.188 4.452 4.640 0.001 0.000 0.189 188 D C 2.080 178.323 176.300 -0.096 0.000 0.998 188 D CA 1.740 55.677 54.000 -0.105 0.000 0.839 188 D CB -0.449 40.300 40.800 -0.084 0.000 0.962 188 D HN 0.655 nan 8.370 nan 0.000 0.446 189 E N 0.891 121.026 120.200 -0.109 0.000 2.097 189 E HA -0.194 4.157 4.350 0.001 0.000 0.196 189 E C 2.598 179.154 176.600 -0.072 0.000 1.000 189 E CA 0.661 57.010 56.400 -0.086 0.000 0.804 189 E CB -0.842 28.799 29.700 -0.098 0.000 0.740 189 E HN 0.391 nan 8.360 nan 0.000 0.454 190 L N 0.607 121.772 121.223 -0.096 0.000 2.131 190 L HA -0.092 4.248 4.340 0.001 0.000 0.210 190 L C 2.670 179.523 176.870 -0.028 0.000 1.092 190 L CA 1.000 55.803 54.840 -0.060 0.000 0.759 190 L CB -0.586 41.420 42.059 -0.087 0.000 0.903 190 L HN 0.137 nan 8.230 nan 0.000 0.435 191 A N -0.535 122.261 122.820 -0.041 0.000 1.930 191 A HA -0.065 4.255 4.320 0.001 0.000 0.217 191 A C 1.245 178.824 177.584 -0.010 0.000 1.175 191 A CA 1.112 53.142 52.037 -0.012 0.000 0.627 191 A CB -0.631 18.359 19.000 -0.017 0.000 0.815 191 A HN 0.366 nan 8.150 nan 0.000 0.443 192 T N 1.244 115.786 114.554 -0.021 0.000 2.729 192 T HA 0.372 4.722 4.350 0.001 0.000 0.296 192 T C -1.974 172.719 174.700 -0.013 0.000 0.928 192 T CA -1.095 60.995 62.100 -0.016 0.000 1.045 192 T CB 1.255 70.109 68.868 -0.022 0.000 0.902 192 T HN 0.118 nan 8.240 nan 0.000 0.500 193 P HA -0.073 nan 4.420 nan 0.000 0.218 193 P C 0.863 178.159 177.300 -0.006 0.000 1.148 193 P CA 0.679 63.777 63.100 -0.003 0.000 0.822 193 P CB 0.014 31.714 31.700 -0.000 0.000 0.784 194 S N -0.865 114.830 115.700 -0.008 0.000 3.983 194 S HA 0.368 4.838 4.470 0.001 0.000 0.194 194 S C 0.153 174.745 174.600 -0.014 0.000 1.464 194 S CA -0.541 57.654 58.200 -0.009 0.000 1.021 194 S CB -1.198 61.997 63.200 -0.008 0.000 1.424 194 S HN 0.062 nan 8.310 nan 0.000 0.473 195 S N 0.528 116.219 115.700 -0.015 0.000 2.570 195 S HA 0.837 5.307 4.470 0.001 0.000 0.286 195 S C -0.423 174.166 174.600 -0.018 0.000 1.099 195 S CA -1.067 57.120 58.200 -0.021 0.000 0.913 195 S CB 1.472 64.654 63.200 -0.029 0.000 1.085 195 S HN 0.780 nan 8.310 nan 0.000 0.480 196 A N 1.788 124.596 122.820 -0.020 0.000 2.302 196 A HA 0.541 4.862 4.320 0.001 0.000 0.295 196 A C 1.162 178.735 177.584 -0.017 0.000 1.235 196 A CA -0.966 51.061 52.037 -0.016 0.000 0.876 196 A CB -0.860 18.131 19.000 -0.015 0.000 1.133 196 A HN 1.062 nan 8.150 nan 0.000 0.533 197 I N 2.142 122.705 120.570 -0.012 0.000 2.151 197 I HA -0.282 3.888 4.170 0.001 0.000 0.243 197 I C 1.698 177.809 176.117 -0.009 0.000 1.080 197 I CA 1.523 62.817 61.300 -0.009 0.000 1.339 197 I CB -0.730 37.268 38.000 -0.003 0.000 1.039 197 I HN 0.594 nan 8.210 nan 0.000 0.409 198 L N 0.477 121.696 121.223 -0.007 0.000 2.187 198 L HA -0.185 4.156 4.340 0.001 0.000 0.213 198 L C 2.097 178.962 176.870 -0.008 0.000 1.100 198 L CA 1.252 56.089 54.840 -0.005 0.000 0.765 198 L CB -0.960 41.097 42.059 -0.004 0.000 0.904 198 L HN 0.336 nan 8.230 nan 0.000 0.437 199 D N 0.121 120.512 120.400 -0.015 0.000 2.194 199 D HA -0.034 4.606 4.640 0.001 0.000 0.204 199 D C 2.321 178.601 176.300 -0.034 0.000 0.964 199 D CA 0.906 54.893 54.000 -0.023 0.000 0.846 199 D CB 0.195 40.978 40.800 -0.027 0.000 0.962 199 D HN 0.285 nan 8.370 nan 0.000 0.490 200 I N 1.012 121.561 120.570 -0.035 0.000 2.202 200 I HA -0.175 3.995 4.170 0.001 0.000 0.242 200 I C 2.393 178.495 176.117 -0.024 0.000 1.091 200 I CA 0.914 62.186 61.300 -0.047 0.000 1.368 200 I CB -0.067 37.910 38.000 -0.038 0.000 1.058 200 I HN -0.051 nan 8.210 nan 0.000 0.410 201 E N 1.928 122.125 120.200 -0.006 0.000 2.204 201 E HA -0.255 4.095 4.350 0.001 0.000 0.194 201 E C 2.206 178.817 176.600 0.019 0.000 0.989 201 E CA 1.018 57.424 56.400 0.011 0.000 0.824 201 E CB -0.064 29.642 29.700 0.010 0.000 0.756 201 E HN 0.489 nan 8.360 nan 0.000 0.477 202 R N 0.722 121.229 120.500 0.011 0.000 2.115 202 R HA -0.054 4.287 4.340 0.001 0.000 0.226 202 R C 2.103 178.429 176.300 0.043 0.000 1.100 202 R CA 1.007 57.119 56.100 0.019 0.000 0.980 202 R CB -0.054 30.251 30.300 0.008 0.000 0.875 202 R HN -0.029 nan 8.270 nan 0.000 0.445 203 K N 0.762 121.185 120.400 0.038 0.000 2.001 203 K HA -0.095 4.225 4.320 0.001 0.000 0.208 203 K C 2.186 178.938 176.600 0.253 0.000 1.048 203 K CA 1.855 58.206 56.287 0.108 0.000 0.932 203 K CB -0.208 32.213 32.500 -0.132 0.000 0.715 203 K HN 0.203 nan 8.250 nan 0.000 0.437 204 V N -0.705 119.318 119.914 0.182 0.000 2.407 204 V HA -0.211 3.909 4.120 0.001 0.000 0.248 204 V C 1.959 178.107 176.094 0.091 0.000 1.055 204 V CA 2.144 64.556 62.300 0.186 0.000 1.049 204 V CB -1.193 30.704 31.823 0.124 0.000 0.662 204 V HN 0.189 nan 8.190 nan 0.000 0.455 205 T N 0.838 115.429 114.554 0.063 0.000 2.720 205 T HA -0.171 4.180 4.350 0.001 0.000 0.268 205 T C 1.915 176.628 174.700 0.022 0.000 1.037 205 T CA 2.454 64.574 62.100 0.033 0.000 1.144 205 T CB -0.634 68.249 68.868 0.024 0.000 0.864 205 T HN 0.724 nan 8.240 nan 0.000 0.444 206 T N 2.571 117.146 114.554 0.036 0.000 2.668 206 T HA -0.044 4.306 4.350 0.001 0.000 0.262 206 T C 1.912 176.596 174.700 -0.026 0.000 1.045 206 T CA 1.059 63.169 62.100 0.016 0.000 1.152 206 T CB -0.679 68.214 68.868 0.043 0.000 0.864 206 T HN 0.141 nan 8.240 nan 0.000 0.419 207 L N 1.407 122.595 121.223 -0.058 0.000 2.010 207 L HA -0.211 4.130 4.340 0.001 0.000 0.219 207 L C 2.455 179.256 176.870 -0.116 0.000 1.077 207 L CA 2.128 56.851 54.840 -0.194 0.000 0.773 207 L CB -1.516 40.320 42.059 -0.371 0.000 0.892 207 L HN 0.249 nan 8.230 nan 0.000 0.436 208 T N -0.315 114.206 114.554 -0.055 0.000 2.760 208 T HA -0.257 4.093 4.350 0.001 0.000 0.269 208 T C 1.813 176.491 174.700 -0.037 0.000 1.047 208 T CA 2.049 64.130 62.100 -0.032 0.000 1.139 208 T CB -0.288 68.577 68.868 -0.004 0.000 0.855 208 T HN 0.444 nan 8.240 nan 0.000 0.471 209 R N 0.599 121.077 120.500 -0.038 0.000 2.312 209 R HA 0.166 4.507 4.340 0.001 0.000 0.205 209 R C 2.704 178.978 176.300 -0.044 0.000 0.904 209 R CA 0.577 56.656 56.100 -0.034 0.000 1.052 209 R CB 0.073 30.359 30.300 -0.023 0.000 1.014 209 R HN 0.453 nan 8.270 nan 0.000 0.503 210 S N -0.264 115.398 115.700 -0.065 0.000 2.344 210 S HA -0.029 4.442 4.470 0.001 0.000 0.217 210 S C 1.656 176.216 174.600 -0.067 0.000 1.033 210 S CA 1.266 59.422 58.200 -0.072 0.000 1.017 210 S CB -0.176 62.958 63.200 -0.109 0.000 0.941 210 S HN 0.407 nan 8.310 nan 0.000 0.430 211 G N 0.434 109.186 108.800 -0.080 0.000 2.672 211 G HA2 -0.125 3.835 3.960 0.001 0.000 0.197 211 G HA3 -0.125 3.835 3.960 0.001 0.000 0.197 211 G C 0.426 175.274 174.900 -0.087 0.000 0.995 211 G CA 0.152 45.212 45.100 -0.066 0.000 0.754 211 G HN 0.509 nan 8.290 nan 0.000 0.505 212 E N -0.119 120.000 120.200 -0.134 0.000 2.512 212 E HA 0.225 4.576 4.350 0.001 0.000 0.195 212 E C 0.065 176.498 176.600 -0.279 0.000 1.083 212 E CA 0.049 56.331 56.400 -0.195 0.000 0.873 212 E CB 0.358 29.910 29.700 -0.246 0.000 0.897 212 E HN 0.279 nan 8.360 nan 0.000 0.514 213 L N 2.644 123.765 121.223 -0.171 0.000 2.265 213 L HA 0.232 4.573 4.340 0.001 0.000 0.289 213 L C -2.236 174.635 176.870 0.001 0.000 1.033 213 L CA -2.605 52.175 54.840 -0.099 0.000 0.814 213 L CB 0.796 42.825 42.059 -0.050 0.000 1.203 213 L HN -0.161 nan 8.230 nan 0.000 0.423 214 P HA 0.012 nan 4.420 nan 0.000 0.260 214 P C 0.101 177.445 177.300 0.073 0.000 1.207 214 P CA 0.187 63.332 63.100 0.075 0.000 0.780 214 P CB 0.461 32.229 31.700 0.114 0.000 0.789 215 V N -0.514 119.428 119.914 0.046 0.000 2.991 215 V HA 0.159 4.280 4.120 0.001 0.000 0.355 215 V C 1.104 177.209 176.094 0.018 0.000 1.384 215 V CA -0.225 62.112 62.300 0.063 0.000 1.171 215 V CB 0.028 31.886 31.823 0.058 0.000 1.190 215 V HN 0.184 nan 8.190 nan 0.000 0.540 216 D N 2.310 122.698 120.400 -0.020 0.000 2.103 216 D HA -0.198 4.442 4.640 0.001 0.000 0.190 216 D C 1.638 177.870 176.300 -0.114 0.000 0.997 216 D CA 2.183 56.151 54.000 -0.054 0.000 0.833 216 D CB 0.076 40.843 40.800 -0.056 0.000 0.961 216 D HN 0.551 nan 8.370 nan 0.000 0.447 217 N N 0.173 118.724 118.700 -0.249 0.000 2.106 217 N HA -0.108 4.633 4.740 0.001 0.000 0.188 217 N C 1.886 177.104 175.510 -0.485 0.000 1.029 217 N CA 0.737 53.470 53.050 -0.529 0.000 0.848 217 N CB -0.501 37.332 38.487 -1.089 0.000 1.007 217 N HN 0.162 nan 8.380 nan 0.000 0.423 218 F N 0.391 120.220 119.950 -0.202 0.000 2.512 218 F HA 0.165 4.692 4.527 0.000 0.000 0.296 218 F C 2.168 177.950 175.800 -0.029 0.000 1.110 218 F CA 0.672 58.628 58.000 -0.073 0.000 1.446 218 F CB -0.448 38.532 39.000 -0.034 0.000 1.092 218 F HN 0.221 nan 8.300 nan 0.000 0.554 219 G N -0.165 108.707 108.800 0.120 0.000 2.498 219 G HA2 -0.275 3.686 3.960 0.001 0.000 0.229 219 G HA3 -0.275 3.686 3.960 0.001 0.000 0.229 219 G C 0.233 175.166 174.900 0.056 0.000 1.156 219 G CA 0.312 45.451 45.100 0.064 0.000 0.680 219 G HN 0.627 nan 8.290 nan 0.000 0.512 220 V N -2.405 117.559 119.914 0.084 0.000 3.040 220 V HA 0.866 4.986 4.120 0.001 0.000 0.312 220 V C -2.648 173.471 176.094 0.041 0.000 1.115 220 V CA -2.489 59.833 62.300 0.037 0.000 0.998 220 V CB 1.812 33.638 31.823 0.004 0.000 1.042 220 V HN 0.163 nan 8.190 nan 0.000 0.433 221 P HA 0.271 nan 4.420 nan 0.000 0.269 221 P C -0.025 177.233 177.300 -0.070 0.000 1.215 221 P CA 0.041 63.142 63.100 0.000 0.000 0.780 221 P CB 0.931 32.631 31.700 -0.000 0.000 0.898 222 L N 2.573 123.731 121.223 -0.108 0.000 2.694 222 L HA 0.436 4.777 4.340 0.001 0.000 0.228 222 L C 0.649 177.457 176.870 -0.104 0.000 1.048 222 L CA 0.576 55.285 54.840 -0.219 0.000 0.887 222 L CB -0.649 41.087 42.059 -0.538 0.000 1.265 222 L HN 0.296 nan 8.230 nan 0.000 0.492 223 A N 0.299 123.097 122.820 -0.035 0.000 2.515 223 A HA 0.446 4.766 4.320 0.001 0.000 0.263 223 A C 1.296 178.889 177.584 0.014 0.000 1.096 223 A CA 0.495 52.537 52.037 0.009 0.000 0.769 223 A CB -1.291 17.738 19.000 0.049 0.000 1.040 223 A HN 1.189 nan 8.150 nan 0.000 0.505 224 G N 1.010 109.818 108.800 0.013 0.000 2.137 224 G HA2 -0.023 3.937 3.960 0.001 0.000 0.237 224 G HA3 -0.023 3.937 3.960 0.001 0.000 0.237 224 G C 0.261 175.162 174.900 0.002 0.000 1.002 224 G CA 0.858 45.969 45.100 0.019 0.000 0.702 224 G HN 1.915 nan 8.290 nan 0.000 0.515 225 S N -1.852 113.837 115.700 -0.017 0.000 2.873 225 S HA 0.922 5.393 4.470 0.001 0.000 0.303 225 S C -1.255 173.314 174.600 -0.052 0.000 1.222 225 S CA 0.377 58.558 58.200 -0.031 0.000 0.923 225 S CB 1.026 64.203 63.200 -0.039 0.000 1.286 225 S HN 1.833 nan 8.310 nan 0.000 0.571 226 L N -0.710 120.473 121.223 -0.067 0.000 2.892 226 L HA 0.774 5.114 4.340 0.001 0.000 0.269 226 L C -1.724 175.096 176.870 -0.084 0.000 1.058 226 L CA -0.799 53.989 54.840 -0.086 0.000 0.923 226 L CB 1.192 43.211 42.059 -0.068 0.000 1.518 226 L HN 0.624 nan 8.230 nan 0.000 0.402 227 I N 0.793 121.313 120.570 -0.083 0.000 2.503 227 I HA 0.385 4.555 4.170 0.001 0.000 0.282 227 I C -2.317 173.798 176.117 -0.003 0.000 1.059 227 I CA -1.184 60.096 61.300 -0.032 0.000 1.081 227 I CB 2.434 40.423 38.000 -0.019 0.000 1.210 227 I HN 0.494 nan 8.210 nan 0.000 0.450 228 P HA 0.023 nan 4.420 nan 0.000 0.225 228 P C -0.874 176.506 177.300 0.133 0.000 1.768 228 P CA 0.357 63.464 63.100 0.012 0.000 0.943 228 P CB -0.259 31.445 31.700 0.008 0.000 1.936 229 W N 2.504 123.721 121.300 -0.137 0.000 3.953 229 W HA 0.250 4.910 4.660 0.000 0.000 0.286 229 W C -2.108 174.340 176.519 -0.118 0.000 1.256 229 W CA -0.539 56.712 57.345 -0.157 0.000 1.244 229 W CB 1.639 31.025 29.460 -0.122 0.000 1.262 229 W HN -0.244 nan 8.180 nan 0.000 0.522 230 I N 5.145 125.510 120.570 -0.341 0.000 2.448 230 I HA 0.110 4.281 4.170 0.001 0.000 0.281 230 I C 0.441 176.496 176.117 -0.104 0.000 1.027 230 I CA -0.570 60.654 61.300 -0.126 0.000 1.111 230 I CB 0.651 38.546 38.000 -0.175 0.000 1.236 230 I HN 0.251 nan 8.210 nan 0.000 0.452 243 W N 1.730 122.999 121.300 -0.053 0.000 2.325 243 W HA -0.183 4.477 4.660 0.000 0.000 0.299 243 W C 2.002 178.482 176.519 -0.066 0.000 1.215 243 W CA 1.050 58.346 57.345 -0.082 0.000 1.244 243 W CB 0.213 29.599 29.460 -0.125 0.000 1.140 243 W HN -0.090 nan 8.180 nan 0.000 0.523 244 K N -0.439 120.100 120.400 0.232 0.000 2.400 244 K HA 0.155 4.475 4.320 0.001 0.000 0.194 244 K C 1.003 177.663 176.600 0.100 0.000 1.033 244 K CA 0.874 57.241 56.287 0.134 0.000 1.021 244 K CB -0.004 32.567 32.500 0.117 0.000 0.808 244 K HN 0.057 nan 8.250 nan 0.000 0.505 245 G N 1.137 109.984 108.800 0.077 0.000 2.207 245 G HA2 -0.305 3.655 3.960 0.001 0.000 0.216 245 G HA3 -0.305 3.655 3.960 0.001 0.000 0.216 245 G C 0.646 175.563 174.900 0.028 0.000 1.053 245 G CA 0.475 45.602 45.100 0.045 0.000 0.764 245 G HN 0.371 nan 8.290 nan 0.000 0.495 246 Q N -0.274 119.543 119.800 0.030 0.000 2.050 246 Q HA 0.086 4.427 4.340 0.001 0.000 0.202 246 Q C 2.930 178.932 176.000 0.004 0.000 0.980 246 Q CA 2.502 58.321 55.803 0.027 0.000 0.840 246 Q CB -0.254 28.501 28.738 0.028 0.000 0.898 246 Q HN 1.102 nan 8.270 nan 0.000 0.424 247 A N 1.084 123.899 122.820 -0.010 0.000 1.851 247 A HA -0.261 4.060 4.320 0.001 0.000 0.216 247 A C 1.850 179.422 177.584 -0.019 0.000 1.195 247 A CA 1.843 53.870 52.037 -0.018 0.000 0.622 247 A CB -0.789 18.194 19.000 -0.029 0.000 0.831 247 A HN 0.559 nan 8.150 nan 0.000 0.444 248 E N -0.817 119.372 120.200 -0.018 0.000 2.085 248 E HA -0.171 4.179 4.350 0.001 0.000 0.194 248 E C 2.118 178.694 176.600 -0.040 0.000 0.994 248 E CA 1.688 58.075 56.400 -0.020 0.000 0.801 248 E CB -0.533 29.162 29.700 -0.009 0.000 0.743 248 E HN 0.626 nan 8.360 nan 0.000 0.453 249 T N 1.528 116.051 114.554 -0.052 0.000 2.684 249 T HA -0.129 4.221 4.350 0.001 0.000 0.267 249 T C 1.655 176.289 174.700 -0.110 0.000 1.036 249 T CA 1.155 63.188 62.100 -0.113 0.000 1.148 249 T CB -0.225 68.576 68.868 -0.112 0.000 0.863 249 T HN 0.151 nan 8.240 nan 0.000 0.436 250 N N 0.678 119.347 118.700 -0.053 0.000 2.244 250 N HA -0.058 4.682 4.740 0.001 0.000 0.183 250 N C 1.918 177.413 175.510 -0.026 0.000 1.016 250 N CA 0.888 53.921 53.050 -0.028 0.000 0.866 250 N CB -0.103 38.384 38.487 -0.001 0.000 0.980 250 N HN 0.450 nan 8.380 nan 0.000 0.430 251 K N 1.290 121.674 120.400 -0.026 0.000 2.062 251 K HA 0.060 4.380 4.320 0.001 0.000 0.205 251 K C 2.052 178.642 176.600 -0.017 0.000 1.051 251 K CA 0.584 56.861 56.287 -0.017 0.000 0.941 251 K CB -0.013 32.478 32.500 -0.015 0.000 0.719 251 K HN 0.004 nan 8.250 nan 0.000 0.440 252 I N 1.176 121.727 120.570 -0.032 0.000 2.286 252 I HA -0.262 3.908 4.170 0.001 0.000 0.248 252 I C 1.737 177.833 176.117 -0.034 0.000 1.115 252 I CA 1.186 62.467 61.300 -0.031 0.000 1.392 252 I CB -0.076 37.889 38.000 -0.059 0.000 1.065 252 I HN 0.204 nan 8.210 nan 0.000 0.418 253 L N -0.051 121.138 121.223 -0.057 0.000 2.567 253 L HA 0.083 4.424 4.340 0.001 0.000 0.225 253 L C 0.605 177.473 176.870 -0.004 0.000 1.119 253 L CA -0.052 54.765 54.840 -0.039 0.000 0.871 253 L CB -0.487 41.529 42.059 -0.072 0.000 1.036 253 L HN 0.307 nan 8.230 nan 0.000 0.459 254 N N 1.717 120.415 118.700 -0.003 0.000 2.699 254 N HA -0.160 4.580 4.740 0.001 0.000 0.256 254 N C 0.328 175.846 175.510 0.014 0.000 0.993 254 N CA 0.902 53.957 53.050 0.007 0.000 0.759 254 N CB -0.751 37.745 38.487 0.014 0.000 0.906 254 N HN 0.532 nan 8.380 nan 0.000 0.541 255 T N -3.414 111.150 114.554 0.015 0.000 2.748 255 T HA 0.335 4.685 4.350 0.001 0.000 0.304 255 T C 1.589 176.303 174.700 0.024 0.000 1.041 255 T CA 0.153 62.270 62.100 0.028 0.000 1.033 255 T CB 0.858 69.750 68.868 0.040 0.000 0.995 255 T HN 0.294 nan 8.240 nan 0.000 0.536 256 S N -0.057 115.659 115.700 0.027 0.000 2.441 256 S HA 0.223 4.694 4.470 0.001 0.000 0.224 256 S C 0.852 175.465 174.600 0.022 0.000 1.043 256 S CA -0.392 57.821 58.200 0.021 0.000 0.948 256 S CB -0.017 63.195 63.200 0.020 0.000 0.810 256 S HN 0.661 nan 8.310 nan 0.000 0.504 257 S N 0.778 116.495 115.700 0.029 0.000 2.677 257 S HA 0.661 5.131 4.470 0.001 0.000 0.304 257 S C -0.595 174.029 174.600 0.040 0.000 1.108 257 S CA -0.799 57.419 58.200 0.031 0.000 0.944 257 S CB 1.936 65.155 63.200 0.032 0.000 1.127 257 S HN 0.183 nan 8.310 nan 0.000 0.511 258 V N 2.197 122.136 119.914 0.041 0.000 2.530 258 V HA 0.314 4.434 4.120 0.001 0.000 0.282 258 V C -0.311 175.829 176.094 0.076 0.000 1.048 258 V CA -0.113 62.216 62.300 0.049 0.000 0.997 258 V CB 0.323 32.168 31.823 0.037 0.000 0.987 258 V HN 0.652 nan 8.190 nan 0.000 0.477 259 I N 7.086 127.714 120.570 0.097 0.000 2.337 259 I HA 0.307 4.477 4.170 0.001 0.000 0.285 259 I C -2.326 173.889 176.117 0.164 0.000 1.041 259 I CA -1.986 59.402 61.300 0.147 0.000 1.199 259 I CB 1.540 39.657 38.000 0.195 0.000 1.370 259 I HN 0.416 nan 8.210 nan 0.000 0.470 260 P HA -0.009 nan 4.420 nan 0.000 0.262 260 P C -0.670 176.755 177.300 0.209 0.000 1.182 260 P CA 0.187 63.378 63.100 0.151 0.000 0.761 260 P CB 0.572 32.337 31.700 0.108 0.000 0.795 261 V N 4.264 124.269 119.914 0.152 0.000 2.445 261 V HA 0.362 4.482 4.120 0.001 0.000 0.283 261 V C -0.362 175.810 176.094 0.130 0.000 1.014 261 V CA -0.164 62.245 62.300 0.181 0.000 0.852 261 V CB 1.557 33.476 31.823 0.161 0.000 1.021 261 V HN 0.479 nan 8.190 nan 0.000 0.435 262 D N 1.857 122.332 120.400 0.125 0.000 2.592 262 D HA 0.906 5.547 4.640 0.001 0.000 0.263 262 D C 0.254 176.599 176.300 0.075 0.000 1.132 262 D CA 0.776 54.823 54.000 0.078 0.000 0.996 262 D CB 2.830 43.642 40.800 0.020 0.000 1.442 262 D HN 0.718 nan 8.370 nan 0.000 0.486 263 G N -0.637 108.186 108.800 0.037 0.000 2.491 263 G HA2 0.308 4.269 3.960 0.001 0.000 0.183 263 G HA3 0.308 4.269 3.960 0.001 0.000 0.183 263 G C -1.931 172.945 174.900 -0.040 0.000 1.221 263 G CA -0.552 44.554 45.100 0.009 0.000 0.996 263 G HN 0.465 nan 8.290 nan 0.000 0.474 264 L N -0.097 121.079 121.223 -0.078 0.000 2.464 264 L HA 0.584 4.924 4.340 0.001 0.000 0.266 264 L C -0.687 176.078 176.870 -0.175 0.000 0.965 264 L CA -0.815 53.942 54.840 -0.139 0.000 0.833 264 L CB 2.399 44.383 42.059 -0.125 0.000 1.296 264 L HN 0.667 nan 8.230 nan 0.000 0.405 265 C N 2.830 121.996 119.300 -0.223 0.000 2.295 265 C HA 0.773 5.234 4.460 0.001 0.000 0.331 265 C C 0.253 175.106 174.990 -0.228 0.000 1.280 265 C CA -0.767 58.117 59.018 -0.223 0.000 1.746 265 C CB 0.924 28.533 27.740 -0.219 0.000 2.328 265 C HN 0.476 nan 8.230 nan 0.000 0.521 266 V N 3.364 123.141 119.914 -0.229 0.000 2.735 266 V HA 0.539 4.660 4.120 0.001 0.000 0.310 266 V C -0.142 175.855 176.094 -0.162 0.000 1.061 266 V CA -0.764 61.416 62.300 -0.199 0.000 0.913 266 V CB 1.896 33.563 31.823 -0.260 0.000 1.005 266 V HN 0.827 nan 8.190 nan 0.000 0.428 267 R N 2.640 123.077 120.500 -0.106 0.000 2.221 267 R HA 0.685 5.025 4.340 0.001 0.000 0.327 267 R C -0.608 175.635 176.300 -0.096 0.000 1.033 267 R CA -0.249 55.804 56.100 -0.079 0.000 0.887 267 R CB 1.261 31.532 30.300 -0.049 0.000 1.057 267 R HN 0.760 nan 8.270 nan 0.000 0.455 268 V N 1.177 121.066 119.914 -0.043 0.000 3.103 268 V HA 0.700 4.820 4.120 0.001 0.000 0.318 268 V C 0.575 176.666 176.094 -0.005 0.000 1.114 268 V CA -0.757 61.538 62.300 -0.010 0.000 1.020 268 V CB 1.842 33.721 31.823 0.092 0.000 1.085 268 V HN 0.783 nan 8.190 nan 0.000 0.446 269 G N 0.736 109.537 108.800 0.003 0.000 3.284 269 G HA2 0.551 4.511 3.960 0.001 0.000 0.251 269 G HA3 0.551 4.511 3.960 0.001 0.000 0.251 269 G C 0.121 175.059 174.900 0.064 0.000 0.913 269 G CA 0.473 45.583 45.100 0.016 0.000 1.947 269 G HN 1.447 nan 8.290 nan 0.000 0.635 270 A N 0.412 123.288 122.820 0.094 0.000 2.354 270 A HA 0.772 5.092 4.320 0.001 0.000 0.321 270 A C 0.878 178.539 177.584 0.128 0.000 1.125 270 A CA -0.720 51.384 52.037 0.111 0.000 0.799 270 A CB 1.291 20.372 19.000 0.135 0.000 1.293 270 A HN 0.259 nan 8.150 nan 0.000 0.452 271 L N -0.591 120.697 121.223 0.109 0.000 2.130 271 L HA 0.144 4.485 4.340 0.001 0.000 0.200 271 L C 2.456 179.383 176.870 0.095 0.000 1.075 271 L CA 1.015 55.918 54.840 0.105 0.000 0.768 271 L CB -0.076 42.028 42.059 0.075 0.000 0.933 271 L HN 0.871 nan 8.230 nan 0.000 0.451 272 R N -2.509 118.036 120.500 0.076 0.000 2.470 272 R HA 0.201 4.542 4.340 0.001 0.000 0.210 272 R C 0.389 176.706 176.300 0.028 0.000 0.873 272 R CA -0.259 55.862 56.100 0.036 0.000 1.015 272 R CB 0.641 30.949 30.300 0.014 0.000 1.348 272 R HN 0.213 nan 8.270 nan 0.000 0.650 273 C N 1.953 121.302 119.300 0.082 0.000 2.601 273 C HA 0.267 4.727 4.460 0.001 0.000 0.409 273 C C -0.082 175.053 174.990 0.241 0.000 1.293 273 C CA -0.270 58.813 59.018 0.109 0.000 2.101 273 C CB -0.141 27.662 27.740 0.105 0.000 2.639 273 C HN 0.311 nan 8.230 nan 0.000 0.592 274 H N 1.181 120.286 119.070 0.058 0.000 2.511 274 H HA 0.448 5.004 4.556 0.001 0.000 0.328 274 H C -0.184 175.154 175.328 0.016 0.000 1.044 274 H CA 0.076 56.157 56.048 0.055 0.000 1.212 274 H CB 1.264 31.056 29.762 0.051 0.000 1.428 274 H HN 0.626 nan 8.280 nan 0.000 0.483 275 S N 3.344 119.097 115.700 0.089 0.000 2.537 275 S HA 0.575 5.045 4.470 0.001 0.000 0.301 275 S C -0.444 174.035 174.600 -0.203 0.000 1.092 275 S CA -0.946 57.166 58.200 -0.148 0.000 1.048 275 S CB 1.791 64.901 63.200 -0.149 0.000 1.053 275 S HN 0.538 nan 8.310 nan 0.000 0.501 276 Q N 0.569 120.027 119.800 -0.569 0.000 2.359 276 Q HA 0.680 5.021 4.340 0.001 0.000 0.274 276 Q C -1.396 174.139 176.000 -0.775 0.000 1.074 276 Q CA -0.849 54.631 55.803 -0.538 0.000 0.810 276 Q CB 2.354 30.750 28.738 -0.571 0.000 1.342 276 Q HN 0.743 nan 8.270 nan 0.000 0.427 277 A N 2.495 125.082 122.820 -0.389 0.000 2.287 277 A HA 0.796 5.116 4.320 0.001 0.000 0.317 277 A C -1.293 176.128 177.584 -0.271 0.000 1.220 277 A CA -0.315 51.713 52.037 -0.015 0.000 0.835 277 A CB 0.231 19.461 19.000 0.384 0.000 1.180 277 A HN 0.566 nan 8.150 nan 0.000 0.500 278 F N 0.365 120.411 119.950 0.161 0.000 2.556 278 F HA 0.674 5.201 4.527 0.000 0.000 0.327 278 F C 0.724 176.608 175.800 0.140 0.000 1.059 278 F CA -0.470 57.612 58.000 0.136 0.000 0.953 278 F CB 2.726 41.781 39.000 0.090 0.000 1.227 278 F HN 0.343 nan 8.300 nan 0.000 0.478 279 T N 2.855 117.634 114.554 0.375 0.000 3.133 279 T HA 0.464 4.814 4.350 0.001 0.000 0.368 279 T C -0.649 174.137 174.700 0.143 0.000 1.190 279 T CA -0.289 61.976 62.100 0.274 0.000 1.282 279 T CB -0.088 68.989 68.868 0.347 0.000 1.042 279 T HN 0.233 nan 8.240 nan 0.000 0.536 280 I N 2.753 123.298 120.570 -0.042 0.000 2.342 280 I HA 0.336 4.506 4.170 0.001 0.000 0.291 280 I C 0.675 176.405 176.117 -0.645 0.000 1.010 280 I CA -0.533 60.579 61.300 -0.314 0.000 1.308 280 I CB 0.760 38.589 38.000 -0.284 0.000 1.400 280 I HN 0.050 nan 8.210 nan 0.000 0.488 281 K N 7.837 127.524 120.400 -1.188 0.000 2.250 281 K HA 0.340 4.660 4.320 0.001 0.000 0.285 281 K C -0.523 175.568 176.600 -0.848 0.000 1.097 281 K CA -0.373 55.075 56.287 -1.398 0.000 0.913 281 K CB 0.258 31.439 32.500 -2.199 0.000 1.179 281 K HN 0.598 nan 8.250 nan 0.000 0.462 282 L N 3.572 124.442 121.223 -0.589 0.000 2.483 282 L HA 0.039 4.379 4.340 0.001 0.000 0.276 282 L C 1.699 178.370 176.870 -0.332 0.000 1.213 282 L CA 0.280 54.886 54.840 -0.389 0.000 0.843 282 L CB 0.452 42.352 42.059 -0.266 0.000 1.107 282 L HN 0.520 nan 8.230 nan 0.000 0.487 283 K N 1.424 121.676 120.400 -0.247 0.000 2.426 283 K HA 0.113 4.433 4.320 0.001 0.000 0.193 283 K C -0.287 176.239 176.600 -0.124 0.000 1.028 283 K CA 0.626 56.809 56.287 -0.173 0.000 1.047 283 K CB 0.340 32.759 32.500 -0.135 0.000 0.821 283 K HN 0.462 nan 8.250 nan 0.000 0.513 284 K N 0.584 120.909 120.400 -0.125 0.000 2.557 284 K HA 0.039 4.360 4.320 0.001 0.000 0.257 284 K C -1.776 174.776 176.600 -0.081 0.000 0.933 284 K CA -0.667 55.569 56.287 -0.085 0.000 0.820 284 K CB 1.741 34.200 32.500 -0.068 0.000 1.330 284 K HN -0.096 nan 8.250 nan 0.000 0.432 285 D N 3.084 123.452 120.400 -0.054 0.000 2.356 285 D HA 0.044 4.684 4.640 0.001 0.000 0.272 285 D C -0.855 175.420 176.300 -0.042 0.000 1.337 285 D CA 0.341 54.317 54.000 -0.040 0.000 0.970 285 D CB 0.419 41.209 40.800 -0.018 0.000 1.092 285 D HN 0.122 nan 8.370 nan 0.000 0.516 286 V N 3.660 123.543 119.914 -0.052 0.000 2.459 286 V HA 0.191 4.312 4.120 0.001 0.000 0.295 286 V C 0.750 176.822 176.094 -0.036 0.000 1.029 286 V CA -0.997 61.275 62.300 -0.048 0.000 0.874 286 V CB 1.529 33.313 31.823 -0.065 0.000 0.985 286 V HN 0.663 nan 8.190 nan 0.000 0.438 287 S N 4.168 119.852 115.700 -0.027 0.000 2.566 287 S HA 0.147 4.617 4.470 0.001 0.000 0.280 287 S C 0.993 175.580 174.600 -0.021 0.000 1.343 287 S CA -0.171 58.017 58.200 -0.019 0.000 1.036 287 S CB 0.479 63.670 63.200 -0.015 0.000 0.866 287 S HN 0.460 nan 8.310 nan 0.000 0.526 288 I N 3.180 123.742 120.570 -0.014 0.000 2.226 288 I HA 0.064 4.234 4.170 0.001 0.000 0.245 288 I C -0.910 175.199 176.117 -0.013 0.000 1.100 288 I CA 0.492 61.784 61.300 -0.013 0.000 1.374 288 I CB -1.536 36.462 38.000 -0.004 0.000 1.057 288 I HN 0.610 nan 8.210 nan 0.000 0.413 289 P HA -0.143 nan 4.420 nan 0.000 0.216 289 P C 1.772 179.064 177.300 -0.013 0.000 1.153 289 P CA 1.807 64.901 63.100 -0.009 0.000 0.858 289 P CB -0.242 31.454 31.700 -0.008 0.000 0.789 290 T N -0.547 113.997 114.554 -0.017 0.000 2.684 290 T HA -0.114 4.237 4.350 0.001 0.000 0.267 290 T C 1.826 176.511 174.700 -0.026 0.000 1.036 290 T CA 1.460 63.548 62.100 -0.021 0.000 1.148 290 T CB -1.085 67.768 68.868 -0.025 0.000 0.863 290 T HN -0.108 nan 8.240 nan 0.000 0.436 291 V N 1.729 121.624 119.914 -0.033 0.000 2.490 291 V HA -0.156 3.965 4.120 0.001 0.000 0.250 291 V C 2.509 178.585 176.094 -0.031 0.000 1.061 291 V CA 1.520 63.794 62.300 -0.043 0.000 1.064 291 V CB -0.602 31.190 31.823 -0.052 0.000 0.670 291 V HN 0.563 nan 8.190 nan 0.000 0.461 292 E N 0.050 120.239 120.200 -0.019 0.000 2.072 292 E HA -0.221 4.129 4.350 0.001 0.000 0.191 292 E C 2.185 178.780 176.600 -0.009 0.000 0.985 292 E CA 1.361 57.755 56.400 -0.010 0.000 0.801 292 E CB -0.100 29.597 29.700 -0.005 0.000 0.750 292 E HN 0.723 nan 8.360 nan 0.000 0.452 293 E N 1.063 121.256 120.200 -0.011 0.000 2.028 293 E HA -0.133 4.218 4.350 0.001 0.000 0.191 293 E C 2.365 178.962 176.600 -0.005 0.000 0.988 293 E CA 0.620 57.014 56.400 -0.009 0.000 0.799 293 E CB -0.139 29.554 29.700 -0.011 0.000 0.755 293 E HN 0.158 nan 8.360 nan 0.000 0.447 294 L N 0.846 122.063 121.223 -0.009 0.000 2.013 294 L HA -0.257 4.083 4.340 0.001 0.000 0.212 294 L C 2.539 179.418 176.870 0.014 0.000 1.073 294 L CA 1.155 55.995 54.840 -0.002 0.000 0.753 294 L CB -0.368 41.678 42.059 -0.022 0.000 0.890 294 L HN 0.193 nan 8.230 nan 0.000 0.432 295 L N -0.973 120.247 121.223 -0.006 0.000 2.056 295 L HA -0.171 4.169 4.340 0.001 0.000 0.207 295 L C 2.832 179.717 176.870 0.026 0.000 1.078 295 L CA 1.094 55.932 54.840 -0.003 0.000 0.749 295 L CB -0.691 41.353 42.059 -0.025 0.000 0.901 295 L HN 0.234 nan 8.230 nan 0.000 0.433 296 A N -0.026 122.802 122.820 0.014 0.000 1.933 296 A HA -0.164 4.156 4.320 0.001 0.000 0.218 296 A C 2.469 180.057 177.584 0.008 0.000 1.175 296 A CA 1.812 53.855 52.037 0.009 0.000 0.628 296 A CB -0.612 18.387 19.000 -0.002 0.000 0.814 296 A HN 0.417 nan 8.150 nan 0.000 0.444 297 A N -1.381 121.448 122.820 0.015 0.000 1.826 297 A HA -0.133 4.188 4.320 0.001 0.000 0.214 297 A C 1.990 179.583 177.584 0.016 0.000 1.212 297 A CA 1.581 53.618 52.037 0.001 0.000 0.605 297 A CB -1.232 17.767 19.000 -0.001 0.000 0.861 297 A HN 0.685 nan 8.150 nan 0.000 0.447 298 H N 1.490 120.543 119.070 -0.029 0.000 2.329 298 H HA -0.285 4.271 4.556 0.001 0.000 0.272 298 H C 0.192 175.510 175.328 -0.018 0.000 1.156 298 H CA 2.315 58.353 56.048 -0.017 0.000 1.146 298 H CB -0.366 29.392 29.762 -0.007 0.000 1.396 298 H HN 0.732 nan 8.280 nan 0.000 0.480 299 N N -1.981 116.781 118.700 0.103 0.000 2.591 299 N HA 0.222 4.962 4.740 0.001 0.000 0.263 299 N C -2.701 172.750 175.510 -0.097 0.000 1.308 299 N CA -1.067 52.002 53.050 0.031 0.000 0.837 299 N CB 1.596 40.272 38.487 0.314 0.000 1.548 299 N HN -0.182 nan 8.380 nan 0.000 0.493 300 P HA 0.143 nan 4.420 nan 0.000 0.255 300 P C -0.381 176.579 177.300 -0.566 0.000 1.357 300 P CA 0.390 63.149 63.100 -0.568 0.000 0.839 300 P CB -0.117 31.107 31.700 -0.793 0.000 1.356 301 W N -0.762 120.542 121.300 0.007 0.000 2.865 301 W HA 0.403 5.063 4.660 0.001 0.000 0.300 301 W C 0.619 177.130 176.519 -0.013 0.000 1.096 301 W CA -0.211 57.144 57.345 0.017 0.000 1.524 301 W CB -0.179 29.273 29.460 -0.012 0.000 0.991 301 W HN -0.079 nan 8.180 nan 0.000 0.571 302 A N 2.292 125.210 122.820 0.164 0.000 3.048 302 A HA 0.121 4.441 4.320 0.001 0.000 0.264 302 A C 0.508 178.129 177.584 0.062 0.000 1.796 302 A CA 0.176 52.265 52.037 0.087 0.000 1.445 302 A CB -0.920 18.114 19.000 0.056 0.000 1.074 302 A HN 0.086 nan 8.150 nan 0.000 0.621 303 K N 1.467 121.913 120.400 0.077 0.000 2.419 303 K HA 0.221 4.542 4.320 0.001 0.000 0.282 303 K C -0.641 175.989 176.600 0.050 0.000 1.056 303 K CA -0.042 56.279 56.287 0.056 0.000 1.035 303 K CB 0.277 32.820 32.500 0.072 0.000 0.921 303 K HN 0.243 nan 8.250 nan 0.000 0.472 304 V N 6.059 125.993 119.914 0.034 0.000 2.455 304 V HA 0.079 4.200 4.120 0.001 0.000 0.273 304 V C -0.225 175.891 176.094 0.037 0.000 1.045 304 V CA -0.576 61.744 62.300 0.033 0.000 0.976 304 V CB 1.326 33.160 31.823 0.020 0.000 0.993 304 V HN 0.488 nan 8.190 nan 0.000 0.475 305 V N 8.649 128.592 119.914 0.048 0.000 2.370 305 V HA 0.327 4.448 4.120 0.001 0.000 0.279 305 V C -2.049 174.069 176.094 0.040 0.000 1.029 305 V CA -1.938 60.391 62.300 0.047 0.000 0.870 305 V CB 1.286 33.146 31.823 0.063 0.000 0.984 305 V HN 0.736 nan 8.190 nan 0.000 0.451 306 P HA 0.046 nan 4.420 nan 0.000 0.269 306 P C 0.173 177.488 177.300 0.024 0.000 1.217 306 P CA -0.058 63.055 63.100 0.023 0.000 0.783 306 P CB 0.369 32.078 31.700 0.016 0.000 0.898 307 N N 1.192 119.904 118.700 0.021 0.000 2.906 307 N HA -0.010 4.730 4.740 0.001 0.000 0.282 307 N C -0.816 174.700 175.510 0.010 0.000 1.293 307 N CA -0.158 52.903 53.050 0.018 0.000 1.059 307 N CB -0.283 38.215 38.487 0.019 0.000 1.388 307 N HN 0.318 nan 8.380 nan 0.000 0.533 308 D N 0.198 120.603 120.400 0.009 0.000 2.248 308 D HA 0.086 4.727 4.640 0.001 0.000 0.246 308 D C 0.994 177.294 176.300 -0.000 0.000 1.027 308 D CA -0.510 53.493 54.000 0.004 0.000 0.853 308 D CB 1.732 42.535 40.800 0.006 0.000 1.243 308 D HN 0.108 nan 8.370 nan 0.000 0.462 309 R N 1.403 121.900 120.500 -0.005 0.000 2.103 309 R HA -0.235 4.105 4.340 0.001 0.000 0.234 309 R C 1.002 177.298 176.300 -0.007 0.000 1.132 309 R CA 1.900 57.994 56.100 -0.010 0.000 0.925 309 R CB 0.045 30.339 30.300 -0.010 0.000 0.842 309 R HN 0.374 nan 8.270 nan 0.000 0.430 310 E N 0.704 120.903 120.200 -0.002 0.000 2.021 310 E HA -0.232 4.118 4.350 0.001 0.000 0.200 310 E C 1.942 178.545 176.600 0.005 0.000 1.015 310 E CA 1.800 58.200 56.400 0.001 0.000 0.824 310 E CB -0.486 29.216 29.700 0.003 0.000 0.762 310 E HN 0.429 nan 8.360 nan 0.000 0.454 311 I N 0.533 121.109 120.570 0.009 0.000 2.151 311 I HA -0.343 3.827 4.170 0.001 0.000 0.243 311 I C 1.939 178.067 176.117 0.019 0.000 1.080 311 I CA 1.630 62.939 61.300 0.015 0.000 1.339 311 I CB -0.218 37.792 38.000 0.017 0.000 1.039 311 I HN 0.133 nan 8.210 nan 0.000 0.409 312 T N 1.011 115.573 114.554 0.013 0.000 2.699 312 T HA -0.248 4.102 4.350 0.001 0.000 0.268 312 T C 1.786 176.489 174.700 0.005 0.000 1.036 312 T CA 2.119 64.226 62.100 0.012 0.000 1.147 312 T CB -0.235 68.629 68.868 -0.007 0.000 0.862 312 T HN 0.367 nan 8.240 nan 0.000 0.446 313 M N -0.004 119.594 119.600 -0.005 0.000 2.296 313 M HA 0.019 4.499 4.480 0.001 0.000 0.265 313 M C 2.474 178.780 176.300 0.009 0.000 1.064 313 M CA 1.223 56.519 55.300 -0.007 0.000 1.109 313 M CB -0.271 32.323 32.600 -0.010 0.000 1.396 313 M HN 0.070 nan 8.290 nan 0.000 0.430 314 R N 0.392 120.901 120.500 0.016 0.000 2.080 314 R HA -0.046 4.294 4.340 0.001 0.000 0.222 314 R C 1.808 178.129 176.300 0.034 0.000 1.107 314 R CA 1.202 57.316 56.100 0.023 0.000 0.980 314 R CB 0.286 30.598 30.300 0.021 0.000 0.879 314 R HN 0.412 nan 8.270 nan 0.000 0.439 315 E N -0.483 119.742 120.200 0.041 0.000 2.175 315 E HA -0.029 4.321 4.350 0.001 0.000 0.195 315 E C 0.266 176.911 176.600 0.075 0.000 0.934 315 E CA 0.023 56.456 56.400 0.056 0.000 0.870 315 E CB 0.151 29.884 29.700 0.055 0.000 0.838 315 E HN 0.031 nan 8.360 nan 0.000 0.474 316 L N 2.779 124.052 121.223 0.083 0.000 2.912 316 L HA 0.079 4.420 4.340 0.001 0.000 0.246 316 L C -0.332 176.624 176.870 0.143 0.000 1.371 316 L CA 0.626 55.546 54.840 0.132 0.000 1.196 316 L CB -0.866 41.289 42.059 0.160 0.000 1.596 316 L HN 0.061 nan 8.230 nan 0.000 0.429 317 T N -4.292 110.327 114.554 0.108 0.000 2.916 317 T HA 0.457 4.807 4.350 0.001 0.000 0.305 317 T C -2.117 172.638 174.700 0.091 0.000 1.119 317 T CA -1.710 60.448 62.100 0.097 0.000 1.008 317 T CB 1.755 70.656 68.868 0.055 0.000 1.129 317 T HN -0.213 nan 8.240 nan 0.000 0.480 318 P HA -0.151 nan 4.420 nan 0.000 0.216 318 P C 1.813 179.154 177.300 0.070 0.000 1.157 318 P CA 2.055 65.206 63.100 0.086 0.000 0.880 318 P CB -0.282 31.473 31.700 0.092 0.000 0.791 319 A N -0.417 122.438 122.820 0.060 0.000 1.997 319 A HA -0.216 4.104 4.320 0.001 0.000 0.221 319 A C 2.284 179.897 177.584 0.048 0.000 1.172 319 A CA 2.415 54.481 52.037 0.048 0.000 0.645 319 A CB -1.534 17.489 19.000 0.039 0.000 0.813 319 A HN 0.258 nan 8.150 nan 0.000 0.454 320 A N -1.354 121.499 122.820 0.055 0.000 1.935 320 A HA 0.235 4.555 4.320 0.001 0.000 0.214 320 A C 2.130 179.753 177.584 0.065 0.000 1.178 320 A CA 1.377 53.448 52.037 0.057 0.000 0.640 320 A CB -0.392 18.644 19.000 0.059 0.000 0.825 320 A HN 0.346 nan 8.150 nan 0.000 0.447 321 V N 0.075 120.033 119.914 0.074 0.000 2.599 321 V HA -0.059 4.061 4.120 0.001 0.000 0.245 321 V C 1.092 177.229 176.094 0.071 0.000 1.046 321 V CA 1.193 63.543 62.300 0.083 0.000 1.065 321 V CB -0.913 30.967 31.823 0.094 0.000 0.703 321 V HN 0.453 nan 8.190 nan 0.000 0.464 322 T N 1.596 116.186 114.554 0.061 0.000 2.658 322 T HA 0.204 4.554 4.350 0.001 0.000 0.252 322 T C 1.258 175.980 174.700 0.037 0.000 1.021 322 T CA 1.383 63.511 62.100 0.047 0.000 1.169 322 T CB -0.181 68.714 68.868 0.044 0.000 1.015 322 T HN 0.924 nan 8.240 nan 0.000 0.489 323 G N 2.811 111.625 108.800 0.023 0.000 2.179 323 G HA2 -0.269 3.691 3.960 0.001 0.000 0.260 323 G HA3 -0.269 3.691 3.960 0.001 0.000 0.260 323 G C 0.355 175.264 174.900 0.016 0.000 0.977 323 G CA 0.536 45.642 45.100 0.011 0.000 0.641 323 G HN 1.240 nan 8.290 nan 0.000 0.533 324 T N -2.056 112.522 114.554 0.041 0.000 2.949 324 T HA 0.724 5.074 4.350 0.001 0.000 0.287 324 T C 1.093 175.845 174.700 0.087 0.000 1.034 324 T CA -0.543 61.598 62.100 0.068 0.000 1.018 324 T CB 1.839 70.766 68.868 0.100 0.000 1.135 324 T HN 0.328 nan 8.240 nan 0.000 0.532 325 L N 0.915 122.223 121.223 0.141 0.000 2.629 325 L HA 0.225 4.565 4.340 0.001 0.000 0.230 325 L C 0.637 177.796 176.870 0.482 0.000 1.151 325 L CA -0.232 54.732 54.840 0.207 0.000 0.924 325 L CB -0.321 41.829 42.059 0.150 0.000 1.137 325 L HN 0.769 nan 8.230 nan 0.000 0.457 326 T N -0.150 114.618 114.554 0.355 0.000 2.869 326 T HA 0.273 4.623 4.350 0.001 0.000 0.295 326 T C 0.689 175.540 174.700 0.250 0.000 0.987 326 T CA -0.335 61.965 62.100 0.334 0.000 1.109 326 T CB 1.060 70.062 68.868 0.223 0.000 0.932 326 T HN 0.186 nan 8.240 nan 0.000 0.518 327 T N 0.558 115.239 114.554 0.211 0.000 3.401 327 T HA 0.370 4.720 4.350 0.001 0.000 0.341 327 T C -2.851 171.907 174.700 0.097 0.000 1.674 327 T CA -1.952 60.220 62.100 0.121 0.000 1.600 327 T CB 0.371 69.255 68.868 0.027 0.000 0.974 327 T HN 0.270 nan 8.240 nan 0.000 0.672 328 P HA 0.323 nan 4.420 nan 0.000 0.269 328 P C -0.476 176.872 177.300 0.081 0.000 1.209 328 P CA -0.276 62.878 63.100 0.090 0.000 0.776 328 P CB 1.201 32.960 31.700 0.099 0.000 0.876 329 V N 1.850 121.809 119.914 0.075 0.000 2.540 329 V HA 0.859 4.979 4.120 0.001 0.000 0.302 329 V C 0.704 176.857 176.094 0.098 0.000 1.035 329 V CA -0.325 62.023 62.300 0.080 0.000 0.873 329 V CB 1.538 33.385 31.823 0.039 0.000 0.992 329 V HN 0.920 nan 8.190 nan 0.000 0.428 330 G N 2.015 110.901 108.800 0.143 0.000 2.749 330 G HA2 0.617 4.577 3.960 0.001 0.000 0.300 330 G HA3 0.617 4.577 3.960 0.001 0.000 0.300 330 G C -0.480 174.511 174.900 0.151 0.000 1.352 330 G CA -0.900 44.279 45.100 0.132 0.000 0.789 330 G HN 0.439 nan 8.290 nan 0.000 0.509 331 R N -1.432 119.131 120.500 0.105 0.000 3.525 331 R HA -0.143 4.198 4.340 0.001 0.000 0.276 331 R C -0.189 176.166 176.300 0.091 0.000 1.116 331 R CA 0.298 56.451 56.100 0.089 0.000 0.745 331 R CB -2.441 27.923 30.300 0.107 0.000 1.185 331 R HN 0.437 nan 8.270 nan 0.000 0.454 332 L N 1.601 122.867 121.223 0.071 0.000 2.315 332 L HA 0.314 4.654 4.340 0.001 0.000 0.283 332 L C 1.029 177.922 176.870 0.039 0.000 1.089 332 L CA 0.141 55.013 54.840 0.053 0.000 0.833 332 L CB 0.578 42.657 42.059 0.033 0.000 1.170 332 L HN 0.272 nan 8.230 nan 0.000 0.442 333 R N 2.181 122.706 120.500 0.041 0.000 2.709 333 R HA 0.407 4.747 4.340 0.001 0.000 0.270 333 R C -1.712 174.613 176.300 0.042 0.000 1.038 333 R CA -1.110 55.011 56.100 0.033 0.000 0.872 333 R CB 0.950 31.269 30.300 0.032 0.000 1.259 333 R HN 0.086 nan 8.270 nan 0.000 0.473 334 K N 2.535 122.957 120.400 0.036 0.000 2.339 334 K HA 0.262 4.583 4.320 0.001 0.000 0.286 334 K C 0.060 176.694 176.600 0.056 0.000 1.050 334 K CA -0.327 55.991 56.287 0.052 0.000 0.956 334 K CB 0.704 33.229 32.500 0.042 0.000 0.990 334 K HN 0.459 nan 8.250 nan 0.000 0.475 335 L N 2.170 123.444 121.223 0.085 0.000 2.476 335 L HA 0.053 4.393 4.340 0.001 0.000 0.255 335 L C 1.624 178.487 176.870 -0.012 0.000 1.218 335 L CA -0.493 54.376 54.840 0.049 0.000 0.819 335 L CB 0.115 42.224 42.059 0.082 0.000 1.119 335 L HN 0.515 nan 8.230 nan 0.000 0.485 336 N N 1.026 119.700 118.700 -0.044 0.000 2.381 336 N HA -0.099 4.641 4.740 0.001 0.000 0.182 336 N C 1.306 176.731 175.510 -0.142 0.000 1.025 336 N CA 1.001 54.010 53.050 -0.069 0.000 0.888 336 N CB -0.084 38.371 38.487 -0.052 0.000 0.965 336 N HN 0.583 nan 8.380 nan 0.000 0.438 337 M N -0.750 118.681 119.600 -0.281 0.000 2.722 337 M HA 0.269 4.750 4.480 0.001 0.000 0.238 337 M C 0.498 176.499 176.300 -0.498 0.000 1.098 337 M CA 0.213 55.208 55.300 -0.509 0.000 1.062 337 M CB -0.734 31.300 32.600 -0.942 0.000 1.573 337 M HN -0.039 nan 8.290 nan 0.000 0.531 338 G N 1.333 110.017 108.800 -0.194 0.000 2.453 338 G HA2 0.076 4.037 3.960 0.001 0.000 0.665 338 G HA3 0.076 4.037 3.960 0.001 0.000 0.665 338 G C -3.051 171.937 174.900 0.146 0.000 1.411 338 G CA -1.058 44.053 45.100 0.019 0.000 0.889 338 G HN 0.019 nan 8.290 nan 0.000 0.651 339 P HA 0.108 nan 4.420 nan 0.000 0.242 339 P C 0.867 178.218 177.300 0.086 0.000 1.197 339 P CA 0.789 63.938 63.100 0.083 0.000 0.765 339 P CB 0.370 32.095 31.700 0.040 0.000 0.936 340 E N -1.302 118.993 120.200 0.160 0.000 2.479 340 E HA 0.075 4.425 4.350 0.001 0.000 0.193 340 E C -0.403 176.122 176.600 -0.125 0.000 1.049 340 E CA -0.089 56.322 56.400 0.019 0.000 0.870 340 E CB 0.072 29.783 29.700 0.018 0.000 0.944 340 E HN 0.138 nan 8.360 nan 0.000 0.492 341 F N 0.763 120.654 119.950 -0.099 0.000 2.444 341 F HA 0.375 4.902 4.527 0.000 0.000 0.342 341 F C -0.181 175.567 175.800 -0.086 0.000 1.121 341 F CA -0.948 56.983 58.000 -0.115 0.000 0.997 341 F CB 1.297 40.266 39.000 -0.052 0.000 1.130 341 F HN -0.129 nan 8.300 nan 0.000 0.454 342 L N 3.155 124.378 121.223 -0.001 0.000 2.354 342 L HA 0.800 5.141 4.340 0.001 0.000 0.269 342 L C -0.429 176.473 176.870 0.054 0.000 1.005 342 L CA -0.261 54.582 54.840 0.005 0.000 0.819 342 L CB 2.065 44.078 42.059 -0.076 0.000 1.311 342 L HN 0.569 nan 8.230 nan 0.000 0.423 343 S N 3.412 119.163 115.700 0.085 0.000 2.536 343 S HA 1.013 5.483 4.470 0.001 0.000 0.298 343 S C -0.809 173.880 174.600 0.148 0.000 1.083 343 S CA 0.008 58.293 58.200 0.141 0.000 0.995 343 S CB 1.803 65.088 63.200 0.141 0.000 1.058 343 S HN 1.366 nan 8.310 nan 0.000 0.488 344 A N 1.872 124.834 122.820 0.237 0.000 2.589 344 A HA 0.757 5.077 4.320 0.001 0.000 0.296 344 A C -1.794 176.037 177.584 0.412 0.000 1.062 344 A CA -0.647 51.546 52.037 0.259 0.000 0.686 344 A CB 1.152 20.249 19.000 0.162 0.000 1.282 344 A HN 1.141 nan 8.150 nan 0.000 0.404 345 F N 1.872 121.932 119.950 0.185 0.000 2.518 345 F HA 0.686 5.213 4.527 0.001 0.000 0.323 345 F C 0.367 176.261 175.800 0.156 0.000 1.129 345 F CA 0.225 58.312 58.000 0.145 0.000 0.920 345 F CB 2.157 41.177 39.000 0.032 0.000 1.160 345 F HN 0.801 nan 8.300 nan 0.000 0.440 346 T N 2.768 117.135 114.554 -0.311 0.000 2.924 346 T HA 0.883 5.233 4.350 0.001 0.000 0.291 346 T C -1.304 173.237 174.700 -0.267 0.000 1.045 346 T CA -0.752 61.278 62.100 -0.117 0.000 1.015 346 T CB 1.743 70.677 68.868 0.110 0.000 1.103 346 T HN 0.419 nan 8.240 nan 0.000 0.496 347 V N 0.270 120.153 119.914 -0.050 0.000 2.925 347 V HA 0.946 5.066 4.120 0.001 0.000 0.311 347 V C 0.282 176.414 176.094 0.064 0.000 1.104 347 V CA -0.492 61.808 62.300 0.000 0.000 0.954 347 V CB 1.988 33.852 31.823 0.068 0.000 1.022 347 V HN 1.495 nan 8.190 nan 0.000 0.427 348 G N 0.878 109.729 108.800 0.086 0.000 2.691 348 G HA2 0.404 4.364 3.960 0.001 0.000 0.298 348 G HA3 0.404 4.364 3.960 0.001 0.000 0.298 348 G C -1.821 173.133 174.900 0.090 0.000 1.471 348 G CA -0.578 44.586 45.100 0.107 0.000 0.912 348 G HN 0.604 nan 8.290 nan 0.000 0.553 349 D N 0.960 121.409 120.400 0.083 0.000 2.417 349 D HA 0.016 4.657 4.640 0.001 0.000 0.250 349 D C 1.181 177.466 176.300 -0.026 0.000 1.166 349 D CA -0.148 53.867 54.000 0.025 0.000 0.881 349 D CB 1.542 42.353 40.800 0.018 0.000 1.164 349 D HN 0.436 nan 8.370 nan 0.000 0.467 350 Q N 4.159 123.880 119.800 -0.131 0.000 2.172 350 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 350 Q C 1.797 177.709 176.000 -0.147 0.000 0.964 350 Q CA 0.805 56.460 55.803 -0.247 0.000 0.855 350 Q CB 0.114 28.494 28.738 -0.596 0.000 0.918 350 Q HN 0.678 nan 8.270 nan 0.000 0.444 351 L N 0.215 121.369 121.223 -0.114 0.000 2.291 351 L HA -0.085 4.255 4.340 0.001 0.000 0.214 351 L C 2.080 178.881 176.870 -0.114 0.000 1.120 351 L CA 0.300 55.082 54.840 -0.097 0.000 0.799 351 L CB -0.126 41.886 42.059 -0.078 0.000 0.925 351 L HN 0.189 nan 8.230 nan 0.000 0.446 352 L N -1.850 119.296 121.223 -0.130 0.000 2.378 352 L HA -0.027 4.313 4.340 0.001 0.000 0.195 352 L C 2.104 178.830 176.870 -0.240 0.000 1.287 352 L CA 0.762 55.459 54.840 -0.239 0.000 1.364 352 L CB -0.717 41.162 42.059 -0.300 0.000 1.310 352 L HN 0.125 nan 8.230 nan 0.000 0.732 353 W N 0.337 121.550 121.300 -0.144 0.000 2.392 353 W HA -0.098 4.562 4.660 0.001 0.000 0.279 353 W C 2.172 178.623 176.519 -0.113 0.000 1.225 353 W CA 0.763 58.011 57.345 -0.162 0.000 1.233 353 W CB -0.343 29.007 29.460 -0.184 0.000 1.122 353 W HN 0.346 nan 8.180 nan 0.000 0.561 354 G N -0.979 107.886 108.800 0.108 0.000 2.712 354 G HA2 0.218 4.178 3.960 0.001 0.000 0.212 354 G HA3 0.218 4.178 3.960 0.001 0.000 0.212 354 G C 0.981 175.885 174.900 0.006 0.000 1.142 354 G CA 0.918 46.045 45.100 0.045 0.000 0.789 354 G HN 0.275 nan 8.290 nan 0.000 0.535 355 A N -0.210 122.596 122.820 -0.024 0.000 1.730 355 A HA 0.735 5.055 4.320 0.001 0.000 0.160 355 A C 2.184 179.734 177.584 -0.057 0.000 1.746 355 A CA 1.246 53.260 52.037 -0.038 0.000 1.283 355 A CB -0.827 18.139 19.000 -0.056 0.000 0.995 355 A HN 0.534 nan 8.150 nan 0.000 0.764 356 A N -0.415 122.345 122.820 -0.100 0.000 1.874 356 A HA 0.064 4.384 4.320 0.001 0.000 0.214 356 A C 1.762 179.235 177.584 -0.184 0.000 1.189 356 A CA 2.130 54.093 52.037 -0.123 0.000 0.615 356 A CB -0.599 18.324 19.000 -0.127 0.000 0.830 356 A HN 0.489 nan 8.150 nan 0.000 0.443 357 E N 0.368 120.384 120.200 -0.305 0.000 2.113 357 E HA -0.190 4.160 4.350 0.001 0.000 0.210 357 E C -0.649 175.759 176.600 -0.320 0.000 1.040 357 E CA 2.531 58.631 56.400 -0.500 0.000 0.847 357 E CB -1.093 27.952 29.700 -1.092 0.000 0.755 357 E HN 0.464 nan 8.360 nan 0.000 0.459 358 P HA -0.148 nan 4.420 nan 0.000 0.216 358 P C 1.383 178.652 177.300 -0.051 0.000 1.150 358 P CA 1.294 64.393 63.100 -0.002 0.000 0.837 358 P CB -0.149 31.595 31.700 0.072 0.000 0.786 359 L N -0.731 120.450 121.223 -0.070 0.000 1.988 359 L HA -0.097 4.244 4.340 0.001 0.000 0.207 359 L C 2.919 179.730 176.870 -0.098 0.000 1.071 359 L CA 1.468 56.266 54.840 -0.069 0.000 0.744 359 L CB -1.096 40.929 42.059 -0.057 0.000 0.893 359 L HN -0.100 nan 8.230 nan 0.000 0.433 360 R N 0.873 121.299 120.500 -0.124 0.000 2.119 360 R HA -0.202 4.139 4.340 0.001 0.000 0.246 360 R C 2.450 178.667 176.300 -0.139 0.000 1.146 360 R CA 1.829 57.843 56.100 -0.143 0.000 0.962 360 R CB -0.087 30.099 30.300 -0.189 0.000 0.863 360 R HN 0.423 nan 8.270 nan 0.000 0.442 361 R N -0.601 119.819 120.500 -0.133 0.000 2.119 361 R HA -0.060 4.280 4.340 0.001 0.000 0.222 361 R C 2.198 178.426 176.300 -0.121 0.000 1.088 361 R CA 0.919 56.957 56.100 -0.103 0.000 0.984 361 R CB -0.437 29.828 30.300 -0.058 0.000 0.884 361 R HN 0.200 nan 8.270 nan 0.000 0.447 362 M N 1.659 121.174 119.600 -0.142 0.000 2.132 362 M HA -0.077 4.403 4.480 0.001 0.000 0.263 362 M C 2.031 178.183 176.300 -0.247 0.000 1.065 362 M CA 1.308 56.472 55.300 -0.227 0.000 1.122 362 M CB -0.472 31.989 32.600 -0.231 0.000 1.365 362 M HN 0.135 nan 8.290 nan 0.000 0.411 363 L N 0.121 121.235 121.223 -0.181 0.000 2.042 363 L HA -0.185 4.155 4.340 0.001 0.000 0.210 363 L C 2.334 179.112 176.870 -0.152 0.000 1.076 363 L CA 1.889 56.632 54.840 -0.162 0.000 0.749 363 L CB -0.747 41.245 42.059 -0.112 0.000 0.893 363 L HN 0.264 nan 8.230 nan 0.000 0.432 364 R N -0.441 119.979 120.500 -0.134 0.000 2.091 364 R HA -0.179 4.162 4.340 0.001 0.000 0.238 364 R C 2.253 178.483 176.300 -0.116 0.000 1.136 364 R CA 1.953 57.988 56.100 -0.108 0.000 0.959 364 R CB -0.515 29.732 30.300 -0.088 0.000 0.856 364 R HN 0.635 nan 8.270 nan 0.000 0.437 365 Q N 0.134 119.842 119.800 -0.153 0.000 2.084 365 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 365 Q C 2.159 178.040 176.000 -0.199 0.000 0.978 365 Q CA 1.260 56.960 55.803 -0.171 0.000 0.844 365 Q CB -0.046 28.556 28.738 -0.226 0.000 0.898 365 Q HN 0.343 nan 8.270 nan 0.000 0.426 366 L N -0.008 121.056 121.223 -0.264 0.000 2.418 366 L HA 0.113 4.453 4.340 0.001 0.000 0.218 366 L C 1.310 178.101 176.870 -0.133 0.000 1.125 366 L CA -0.365 54.304 54.840 -0.284 0.000 0.835 366 L CB -0.488 41.284 42.059 -0.478 0.000 0.953 366 L HN 0.035 nan 8.230 nan 0.000 0.454 367 A N 0.000 122.759 122.820 -0.102 0.000 2.254 367 A HA 0.000 4.320 4.320 0.001 0.000 0.244 367 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 367 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486