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 1t4d_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQNVGFIGWR 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 DKQLDNGQSR EEWKGQAETN 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 0.044 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 Q N 1.674 121.501 119.800 0.045 0.000 2.293 2 Q HA 0.348 4.688 4.340 0.000 0.000 0.251 2 Q C -0.823 175.214 176.000 0.062 0.000 0.930 2 Q CA 0.080 55.916 55.803 0.055 0.000 0.893 2 Q CB 0.557 29.324 28.738 0.047 0.000 1.215 2 Q HN 0.541 nan 8.270 nan 0.000 0.425 3 N N 0.685 119.430 118.700 0.074 0.000 2.415 3 N HA 0.230 4.970 4.740 0.000 0.000 0.246 3 N C -1.013 174.535 175.510 0.063 0.000 1.078 3 N CA -0.192 52.904 53.050 0.076 0.000 0.942 3 N CB 0.972 39.515 38.487 0.092 0.000 1.140 3 N HN 0.150 nan 8.380 nan 0.000 0.501 4 V N 1.346 121.271 119.914 0.018 0.000 2.370 4 V HA 0.608 4.729 4.120 0.000 0.000 0.283 4 V C 0.835 176.795 176.094 -0.224 0.000 1.023 4 V CA -0.915 61.312 62.300 -0.121 0.000 0.857 4 V CB 1.394 33.115 31.823 -0.170 0.000 0.985 4 V HN 0.678 nan 8.190 nan 0.000 0.443 5 G N 3.452 112.089 108.800 -0.272 0.000 2.348 5 G HA2 0.661 4.621 3.960 0.000 0.000 0.312 5 G HA3 0.661 4.621 3.960 0.000 0.000 0.312 5 G C -1.186 173.429 174.900 -0.474 0.000 1.126 5 G CA -0.304 44.702 45.100 -0.157 0.000 0.865 5 G HN 0.439 nan 8.290 nan 0.000 0.474 6 F N 1.871 121.824 119.950 0.006 0.000 2.467 6 F HA 0.490 5.018 4.527 0.000 0.000 0.336 6 F C -0.210 175.752 175.800 0.269 0.000 1.123 6 F CA -0.956 57.083 58.000 0.065 0.000 0.964 6 F CB 2.059 41.083 39.000 0.039 0.000 1.136 6 F HN 0.060 nan 8.300 nan 0.000 0.447 7 I N 1.963 122.677 120.570 0.239 0.000 2.474 7 I HA 0.476 4.647 4.170 0.000 0.000 0.294 7 I C 0.790 176.963 176.117 0.095 0.000 1.005 7 I CA -1.703 59.656 61.300 0.097 0.000 1.113 7 I CB 0.916 38.698 38.000 -0.363 0.000 1.289 7 I HN 0.758 nan 8.210 nan 0.000 0.436 8 G N 5.139 113.945 108.800 0.010 0.000 2.221 8 G HA2 -0.226 3.734 3.960 0.000 0.000 0.265 8 G HA3 -0.226 3.734 3.960 0.000 0.000 0.265 8 G C 0.614 175.520 174.900 0.010 0.000 1.041 8 G CA 0.563 45.614 45.100 -0.081 0.000 0.807 8 G HN 0.866 nan 8.290 nan 0.000 0.502 9 W N -0.676 120.708 121.300 0.140 0.000 2.937 9 W HA 0.200 4.860 4.660 0.000 0.000 0.245 9 W C 1.241 177.840 176.519 0.134 0.000 1.306 9 W CA 0.486 57.943 57.345 0.187 0.000 1.470 9 W CB -0.485 29.177 29.460 0.337 0.000 1.132 9 W HN 0.378 nan 8.180 nan 0.000 0.675 10 R N 0.655 120.809 120.500 -0.577 0.000 2.334 10 R HA 0.181 4.521 4.340 0.000 0.000 0.216 10 R C 1.511 177.682 176.300 -0.215 0.000 0.905 10 R CA 0.378 56.186 56.100 -0.487 0.000 1.064 10 R CB 0.182 30.029 30.300 -0.756 0.000 1.046 10 R HN 0.020 nan 8.270 nan 0.000 0.508 11 G N 0.566 109.278 108.800 -0.145 0.000 2.621 11 G HA2 0.013 3.974 3.960 0.000 0.000 0.271 11 G HA3 0.013 3.974 3.960 0.000 0.000 0.271 11 G C 0.668 175.548 174.900 -0.033 0.000 1.236 11 G CA -0.529 44.525 45.100 -0.076 0.000 0.958 11 G HN 0.031 nan 8.290 nan 0.000 0.512 12 M N -0.345 119.243 119.600 -0.019 0.000 2.067 12 M HA -0.112 4.368 4.480 0.000 0.000 0.260 12 M C 2.417 178.715 176.300 -0.004 0.000 1.069 12 M CA 1.588 56.883 55.300 -0.009 0.000 1.117 12 M CB -0.261 32.338 32.600 -0.003 0.000 1.334 12 M HN 0.261 nan 8.290 nan 0.000 0.407 13 V N 0.320 120.234 119.914 0.000 0.000 2.343 13 V HA -0.185 3.935 4.120 0.000 0.000 0.247 13 V C 2.602 178.710 176.094 0.024 0.000 1.051 13 V CA 2.060 64.363 62.300 0.004 0.000 1.036 13 V CB -1.758 30.070 31.823 0.009 0.000 0.654 13 V HN 0.740 nan 8.190 nan 0.000 0.451 14 G N -0.454 108.373 108.800 0.046 0.000 2.442 14 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 14 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 14 G C 1.808 176.781 174.900 0.121 0.000 1.141 14 G CA 1.236 46.404 45.100 0.113 0.000 0.763 14 G HN 0.529 nan 8.290 nan 0.000 0.554 15 S N -0.086 115.652 115.700 0.063 0.000 2.383 15 S HA -0.079 4.391 4.470 0.000 0.000 0.227 15 S C 2.465 177.061 174.600 -0.006 0.000 1.026 15 S CA 1.029 59.255 58.200 0.043 0.000 0.981 15 S CB -0.148 63.060 63.200 0.015 0.000 0.818 15 S HN 0.192 nan 8.310 nan 0.000 0.472 16 V N 1.885 121.790 119.914 -0.015 0.000 2.358 16 V HA -0.106 4.014 4.120 0.000 0.000 0.246 16 V C 2.231 178.289 176.094 -0.060 0.000 1.047 16 V CA 1.366 63.638 62.300 -0.047 0.000 1.035 16 V CB -0.636 31.156 31.823 -0.052 0.000 0.658 16 V HN 0.364 nan 8.190 nan 0.000 0.452 17 L N -0.388 120.818 121.223 -0.027 0.000 2.012 17 L HA -0.171 4.169 4.340 0.000 0.000 0.210 17 L C 2.371 179.216 176.870 -0.042 0.000 1.073 17 L CA 2.146 56.969 54.840 -0.029 0.000 0.748 17 L CB -0.594 41.491 42.059 0.042 0.000 0.891 17 L HN 0.161 nan 8.230 nan 0.000 0.431 18 M N -0.856 118.742 119.600 -0.004 0.000 2.065 18 M HA -0.261 4.220 4.480 0.000 0.000 0.259 18 M C 2.310 178.512 176.300 -0.164 0.000 1.069 18 M CA 1.800 57.064 55.300 -0.060 0.000 1.110 18 M CB -1.458 31.062 32.600 -0.134 0.000 1.328 18 M HN 0.413 nan 8.290 nan 0.000 0.405 19 Q N -0.449 119.248 119.800 -0.172 0.000 2.045 19 Q HA -0.192 4.148 4.340 0.000 0.000 0.206 19 Q C 2.279 178.209 176.000 -0.118 0.000 0.991 19 Q CA 1.462 57.171 55.803 -0.156 0.000 0.851 19 Q CB -0.220 28.450 28.738 -0.113 0.000 0.911 19 Q HN 0.367 nan 8.270 nan 0.000 0.418 20 R N 0.101 120.532 120.500 -0.116 0.000 2.091 20 R HA -0.078 4.262 4.340 0.000 0.000 0.238 20 R C 2.119 178.343 176.300 -0.127 0.000 1.136 20 R CA 1.374 57.398 56.100 -0.126 0.000 0.959 20 R CB -0.485 29.719 30.300 -0.161 0.000 0.856 20 R HN 0.431 nan 8.270 nan 0.000 0.437 21 M N -0.104 119.407 119.600 -0.148 0.000 2.175 21 M HA -0.119 4.361 4.480 0.000 0.000 0.264 21 M C 2.322 178.572 176.300 -0.082 0.000 1.063 21 M CA 1.182 56.343 55.300 -0.231 0.000 1.119 21 M CB -0.199 32.084 32.600 -0.527 0.000 1.377 21 M HN -0.112 nan 8.290 nan 0.000 0.415 22 V N 0.384 120.324 119.914 0.044 0.000 2.307 22 V HA -0.263 3.858 4.120 0.000 0.000 0.245 22 V C 2.204 178.315 176.094 0.028 0.000 1.045 22 V CA 2.017 64.379 62.300 0.103 0.000 1.024 22 V CB -0.656 31.155 31.823 -0.021 0.000 0.651 22 V HN 0.511 nan 8.190 nan 0.000 0.449 23 E N -0.169 120.017 120.200 -0.022 0.000 2.118 23 E HA -0.229 4.121 4.350 0.000 0.000 0.195 23 E C 1.647 178.236 176.600 -0.018 0.000 0.992 23 E CA 1.231 57.616 56.400 -0.025 0.000 0.804 23 E CB 0.101 29.774 29.700 -0.045 0.000 0.741 23 E HN 0.554 nan 8.360 nan 0.000 0.458 24 E N 0.512 120.692 120.200 -0.034 0.000 2.476 24 E HA -0.023 4.327 4.350 0.000 0.000 0.196 24 E C -0.242 176.346 176.600 -0.020 0.000 1.029 24 E CA 0.020 56.401 56.400 -0.032 0.000 0.896 24 E CB 0.394 30.058 29.700 -0.061 0.000 1.012 24 E HN 0.253 nan 8.360 nan 0.000 0.475 25 R N 0.895 121.400 120.500 0.009 0.000 3.158 25 R HA -0.193 4.147 4.340 0.000 0.000 0.244 25 R C -0.614 175.692 176.300 0.011 0.000 0.900 25 R CA 0.639 56.768 56.100 0.049 0.000 0.618 25 R CB -2.877 27.451 30.300 0.047 0.000 1.061 25 R HN 0.004 nan 8.270 nan 0.000 0.471 26 D N 0.021 120.370 120.400 -0.084 0.000 2.347 26 D HA 0.039 4.679 4.640 0.000 0.000 0.213 26 D C 1.185 177.379 176.300 -0.177 0.000 0.985 26 D CA 0.575 54.469 54.000 -0.176 0.000 0.879 26 D CB -0.175 40.439 40.800 -0.309 0.000 0.919 26 D HN 0.387 nan 8.370 nan 0.000 0.526 27 F N 1.315 121.279 119.950 0.023 0.000 2.661 27 F HA -0.009 4.518 4.527 0.000 0.000 0.298 27 F C 1.892 177.717 175.800 0.041 0.000 1.137 27 F CA 0.384 58.409 58.000 0.043 0.000 1.454 27 F CB 0.072 39.103 39.000 0.053 0.000 1.103 27 F HN -0.167 nan 8.300 nan 0.000 0.577 28 D N 0.305 120.812 120.400 0.179 0.000 2.097 28 D HA -0.117 4.523 4.640 0.000 0.000 0.197 28 D C 2.291 178.643 176.300 0.085 0.000 0.984 28 D CA 1.445 55.514 54.000 0.116 0.000 0.826 28 D CB -0.451 40.395 40.800 0.076 0.000 0.973 28 D HN 0.243 nan 8.370 nan 0.000 0.460 29 A N 0.508 123.365 122.820 0.061 0.000 2.206 29 A HA 0.169 4.489 4.320 0.000 0.000 0.211 29 A C 1.274 178.889 177.584 0.051 0.000 1.158 29 A CA 0.112 52.174 52.037 0.042 0.000 0.761 29 A CB -0.526 18.484 19.000 0.016 0.000 0.801 29 A HN 0.397 nan 8.150 nan 0.000 0.473 30 I N -5.322 115.298 120.570 0.083 0.000 3.206 30 I HA 0.666 4.836 4.170 0.000 0.000 0.313 30 I C -0.189 176.003 176.117 0.124 0.000 1.103 30 I CA -1.412 59.945 61.300 0.095 0.000 0.985 30 I CB 1.572 39.636 38.000 0.106 0.000 1.240 30 I HN -0.204 nan 8.210 nan 0.000 0.464 31 R N 3.633 124.197 120.500 0.108 0.000 2.287 31 R HA 0.515 4.856 4.340 0.000 0.000 0.316 31 R C -2.854 173.509 176.300 0.105 0.000 1.050 31 R CA -2.243 53.914 56.100 0.095 0.000 0.983 31 R CB 0.677 31.017 30.300 0.066 0.000 1.140 31 R HN 0.503 nan 8.270 nan 0.000 0.528 32 P HA 0.156 nan 4.420 nan 0.000 0.279 32 P C -0.797 176.404 177.300 -0.165 0.000 1.239 32 P CA -0.325 62.809 63.100 0.056 0.000 0.789 32 P CB 1.734 33.478 31.700 0.073 0.000 0.933 33 V N 3.963 123.735 119.914 -0.236 0.000 2.482 33 V HA 0.319 4.439 4.120 0.000 0.000 0.295 33 V C -0.337 175.591 176.094 -0.277 0.000 1.026 33 V CA -0.410 61.776 62.300 -0.189 0.000 0.856 33 V CB 0.961 32.793 31.823 0.015 0.000 1.001 33 V HN 0.335 nan 8.190 nan 0.000 0.424 34 F N 4.596 124.502 119.950 -0.073 0.000 2.410 34 F HA 0.662 5.189 4.527 0.000 0.000 0.349 34 F C 0.004 175.803 175.800 -0.002 0.000 1.117 34 F CA -0.383 57.543 58.000 -0.123 0.000 1.104 34 F CB 0.899 39.516 39.000 -0.639 0.000 1.122 34 F HN 0.282 nan 8.300 nan 0.000 0.483 35 F N 1.288 121.443 119.950 0.341 0.000 2.440 35 F HA 0.679 5.206 4.527 0.001 0.000 0.328 35 F C 0.518 176.561 175.800 0.405 0.000 1.070 35 F CA -0.339 57.834 58.000 0.288 0.000 1.011 35 F CB 1.870 40.951 39.000 0.134 0.000 1.226 35 F HN 0.461 nan 8.300 nan 0.000 0.491 36 S N -1.039 114.897 115.700 0.392 0.000 2.724 36 S HA 0.482 4.952 4.470 0.000 0.000 0.278 36 S C 0.072 174.806 174.600 0.223 0.000 1.190 36 S CA 0.147 58.502 58.200 0.259 0.000 0.860 36 S CB 1.012 64.352 63.200 0.232 0.000 1.206 36 S HN 0.787 nan 8.310 nan 0.000 0.507 37 T N -2.110 112.549 114.554 0.174 0.000 2.980 37 T HA 0.319 4.669 4.350 0.000 0.000 0.252 37 T C 1.433 176.210 174.700 0.128 0.000 0.962 37 T CA 0.929 63.153 62.100 0.208 0.000 0.932 37 T CB -0.104 68.907 68.868 0.239 0.000 1.188 37 T HN 0.414 nan 8.240 nan 0.000 0.500 38 S N 1.314 117.066 115.700 0.086 0.000 2.479 38 S HA 0.150 4.620 4.470 0.000 0.000 0.157 38 S C 0.699 175.330 174.600 0.052 0.000 1.101 38 S CA -0.180 58.052 58.200 0.053 0.000 1.696 38 S CB -0.442 62.772 63.200 0.023 0.000 0.580 38 S HN 0.507 nan 8.310 nan 0.000 0.407 39 Q N 1.865 121.689 119.800 0.041 0.000 2.605 39 Q HA 0.097 4.437 4.340 0.000 0.000 0.184 39 Q C -0.545 175.485 176.000 0.050 0.000 1.188 39 Q CA -0.060 55.765 55.803 0.038 0.000 0.906 39 Q CB -0.929 27.827 28.738 0.031 0.000 1.695 39 Q HN 0.433 nan 8.270 nan 0.000 0.479 40 L N -0.608 120.644 121.223 0.049 0.000 2.464 40 L HA 0.102 4.442 4.340 0.000 0.000 0.264 40 L C 1.658 178.541 176.870 0.022 0.000 1.199 40 L CA 0.518 55.385 54.840 0.044 0.000 0.818 40 L CB 0.241 42.331 42.059 0.051 0.000 1.102 40 L HN 0.724 nan 8.230 nan 0.000 0.473 41 G N 0.522 109.326 108.800 0.006 0.000 2.382 41 G HA2 -0.314 3.646 3.960 0.000 0.000 0.259 41 G HA3 -0.314 3.646 3.960 0.000 0.000 0.259 41 G C 0.449 175.343 174.900 -0.010 0.000 1.009 41 G CA 0.228 45.325 45.100 -0.006 0.000 0.625 41 G HN 0.649 nan 8.290 nan 0.000 0.541 42 Q N 0.831 120.630 119.800 -0.002 0.000 2.352 42 Q HA 0.561 4.902 4.340 0.000 0.000 0.260 42 Q C 0.871 176.854 176.000 -0.028 0.000 0.976 42 Q CA -0.126 55.671 55.803 -0.011 0.000 0.881 42 Q CB 1.010 29.747 28.738 -0.001 0.000 1.235 42 Q HN 0.856 nan 8.270 nan 0.000 0.419 43 A N 1.750 124.540 122.820 -0.050 0.000 2.603 43 A HA 0.215 4.536 4.320 0.000 0.000 0.235 43 A C 0.242 177.747 177.584 -0.131 0.000 1.035 43 A CA 0.531 52.516 52.037 -0.087 0.000 0.755 43 A CB -0.069 18.872 19.000 -0.098 0.000 0.954 43 A HN 0.782 nan 8.150 nan 0.000 0.511 44 A N 4.095 126.806 122.820 -0.180 0.000 2.386 44 A HA 0.533 4.853 4.320 0.000 0.000 0.246 44 A C -0.475 176.747 177.584 -0.605 0.000 1.089 44 A CA -0.591 51.240 52.037 -0.343 0.000 0.790 44 A CB -0.274 18.602 19.000 -0.207 0.000 1.042 44 A HN 0.744 nan 8.150 nan 0.000 0.497 45 P HA -0.178 nan 4.420 nan 0.000 0.226 45 P C 0.497 177.032 177.300 -1.275 0.000 1.146 45 P CA 1.596 63.867 63.100 -1.382 0.000 0.773 45 P CB -0.336 29.950 31.700 -2.357 0.000 0.772 46 S N -3.785 111.344 115.700 -0.951 0.000 3.445 46 S HA -0.239 4.231 4.470 0.000 0.000 0.319 46 S C 0.777 175.086 174.600 -0.486 0.000 1.209 46 S CA 0.792 58.661 58.200 -0.552 0.000 0.934 46 S CB -3.105 59.885 63.200 -0.349 0.000 0.999 46 S HN -0.009 nan 8.310 nan 0.000 0.582 47 F N 1.851 121.424 119.950 -0.627 0.000 2.186 47 F HA 0.271 4.799 4.527 0.000 0.000 0.299 47 F C 2.534 177.923 175.800 -0.685 0.000 1.090 47 F CA 0.798 58.403 58.000 -0.658 0.000 1.307 47 F CB -1.127 37.311 39.000 -0.935 0.000 1.019 47 F HN 0.534 nan 8.300 nan 0.000 0.489 48 G N -0.861 107.585 108.800 -0.590 0.000 3.414 48 G HA2 0.343 4.303 3.960 0.000 0.000 0.258 48 G HA3 0.343 4.303 3.960 0.000 0.000 0.258 48 G C 1.458 176.316 174.900 -0.070 0.000 1.348 48 G CA 0.157 45.097 45.100 -0.268 0.000 1.319 48 G HN 0.652 nan 8.290 nan 0.000 0.555 49 G N -0.150 108.594 108.800 -0.093 0.000 2.280 49 G HA2 -0.312 3.648 3.960 0.000 0.000 0.282 49 G HA3 -0.312 3.648 3.960 0.000 0.000 0.282 49 G C 0.669 175.536 174.900 -0.055 0.000 1.000 49 G CA 0.991 46.059 45.100 -0.054 0.000 0.751 49 G HN 0.905 nan 8.290 nan 0.000 0.515 50 T N -0.056 114.452 114.554 -0.077 0.000 2.909 50 T HA 0.564 4.914 4.350 0.000 0.000 0.289 50 T C 1.078 175.726 174.700 -0.086 0.000 1.005 50 T CA 0.711 62.781 62.100 -0.049 0.000 1.084 50 T CB 0.830 69.701 68.868 0.006 0.000 0.975 50 T HN 0.801 nan 8.240 nan 0.000 0.509 51 T N 1.670 116.189 114.554 -0.059 0.000 3.438 51 T HA 0.575 4.925 4.350 0.000 0.000 0.244 51 T C 0.590 175.258 174.700 -0.053 0.000 1.269 51 T CA -0.653 61.405 62.100 -0.069 0.000 1.371 51 T CB 0.145 68.981 68.868 -0.053 0.000 1.002 51 T HN 0.642 nan 8.240 nan 0.000 0.637 52 G N 1.078 109.847 108.800 -0.051 0.000 2.671 52 G HA2 0.735 4.695 3.960 0.000 0.000 0.275 52 G HA3 0.735 4.695 3.960 0.000 0.000 0.275 52 G C -0.416 174.454 174.900 -0.051 0.000 1.368 52 G CA -0.667 44.411 45.100 -0.037 0.000 1.044 52 G HN 0.654 nan 8.290 nan 0.000 0.543 53 T N -1.878 112.647 114.554 -0.048 0.000 2.907 53 T HA 0.610 4.961 4.350 0.000 0.000 0.292 53 T C -0.098 174.568 174.700 -0.058 0.000 1.043 53 T CA -0.747 61.323 62.100 -0.050 0.000 1.003 53 T CB 1.459 70.301 68.868 -0.043 0.000 1.084 53 T HN 0.370 nan 8.240 nan 0.000 0.483 54 L N 2.636 123.841 121.223 -0.029 0.000 2.499 54 L HA 0.222 4.562 4.340 0.000 0.000 0.273 54 L C 0.835 177.648 176.870 -0.094 0.000 1.195 54 L CA -0.528 54.308 54.840 -0.007 0.000 0.882 54 L CB 0.213 42.330 42.059 0.095 0.000 1.133 54 L HN 0.565 nan 8.230 nan 0.000 0.483 55 Q N 1.508 121.141 119.800 -0.277 0.000 2.180 55 Q HA 0.208 4.548 4.340 0.000 0.000 0.241 55 Q C -0.738 175.192 176.000 -0.117 0.000 0.970 55 Q CA -0.676 54.879 55.803 -0.414 0.000 0.919 55 Q CB 1.381 29.387 28.738 -1.220 0.000 1.222 55 Q HN 0.414 nan 8.270 nan 0.000 0.482 56 D N -0.043 120.392 120.400 0.059 0.000 2.339 56 D HA 0.259 4.899 4.640 0.000 0.000 0.241 56 D C 0.447 177.048 176.300 0.502 0.000 1.183 56 D CA -0.089 54.068 54.000 0.262 0.000 0.859 56 D CB 0.910 41.843 40.800 0.221 0.000 1.067 56 D HN 0.544 nan 8.370 nan 0.000 0.484 57 A N 3.591 126.698 122.820 0.480 0.000 2.186 57 A HA -0.128 4.192 4.320 0.000 0.000 0.219 57 A C 1.258 178.837 177.584 -0.008 0.000 1.159 57 A CA 0.867 53.072 52.037 0.281 0.000 0.680 57 A CB -0.514 18.474 19.000 -0.020 0.000 0.787 57 A HN 0.599 nan 8.150 nan 0.000 0.467 58 F N -0.684 119.446 119.950 0.299 0.000 2.654 58 F HA 0.198 4.725 4.527 0.000 0.000 0.303 58 F C 0.360 176.239 175.800 0.132 0.000 1.099 58 F CA -0.846 57.272 58.000 0.196 0.000 1.270 58 F CB 0.553 39.649 39.000 0.160 0.000 1.024 58 F HN 0.058 nan 8.300 nan 0.000 0.548 59 D N 1.443 122.009 120.400 0.278 0.000 2.393 59 D HA 0.128 4.768 4.640 0.000 0.000 0.232 59 D C 1.279 177.656 176.300 0.128 0.000 1.192 59 D CA 0.196 54.316 54.000 0.200 0.000 0.882 59 D CB 0.600 41.527 40.800 0.211 0.000 1.038 59 D HN 0.212 nan 8.370 nan 0.000 0.499 60 L N 2.746 124.010 121.223 0.068 0.000 2.079 60 L HA -0.168 4.172 4.340 0.000 0.000 0.210 60 L C 2.053 178.914 176.870 -0.015 0.000 1.081 60 L CA 0.873 55.706 54.840 -0.013 0.000 0.752 60 L CB -0.230 41.817 42.059 -0.020 0.000 0.896 60 L HN 0.357 nan 8.230 nan 0.000 0.433 61 E N 0.448 120.668 120.200 0.034 0.000 2.077 61 E HA -0.184 4.166 4.350 0.000 0.000 0.193 61 E C 2.327 178.966 176.600 0.066 0.000 0.989 61 E CA 1.432 57.858 56.400 0.042 0.000 0.800 61 E CB -0.318 29.414 29.700 0.052 0.000 0.746 61 E HN 0.480 nan 8.360 nan 0.000 0.452 62 A N 0.977 123.868 122.820 0.118 0.000 1.930 62 A HA -0.084 4.237 4.320 0.000 0.000 0.217 62 A C 2.376 180.092 177.584 0.220 0.000 1.175 62 A CA 0.890 53.053 52.037 0.210 0.000 0.627 62 A CB -0.565 18.628 19.000 0.322 0.000 0.815 62 A HN 0.171 nan 8.150 nan 0.000 0.443 63 L N -0.783 120.459 121.223 0.032 0.000 2.072 63 L HA -0.151 4.190 4.340 0.000 0.000 0.205 63 L C 2.449 179.121 176.870 -0.330 0.000 1.079 63 L CA 1.497 56.184 54.840 -0.255 0.000 0.752 63 L CB -0.437 41.384 42.059 -0.396 0.000 0.906 63 L HN 0.317 nan 8.230 nan 0.000 0.436 64 K N 0.327 120.572 120.400 -0.258 0.000 2.211 64 K HA -0.122 4.198 4.320 0.000 0.000 0.204 64 K C 1.966 178.662 176.600 0.160 0.000 1.047 64 K CA 1.191 57.388 56.287 -0.149 0.000 0.935 64 K CB -0.215 32.286 32.500 0.001 0.000 0.728 64 K HN 0.276 nan 8.250 nan 0.000 0.452 65 A N 1.017 123.910 122.820 0.121 0.000 2.209 65 A HA 0.045 4.365 4.320 0.000 0.000 0.212 65 A C 0.788 178.495 177.584 0.205 0.000 1.158 65 A CA 0.388 52.521 52.037 0.161 0.000 0.742 65 A CB -0.274 18.802 19.000 0.126 0.000 0.790 65 A HN 0.095 nan 8.150 nan 0.000 0.472 66 L N -0.526 120.848 121.223 0.252 0.000 2.379 66 L HA 0.265 4.606 4.340 0.000 0.000 0.269 66 L C 0.502 177.634 176.870 0.438 0.000 1.084 66 L CA -0.745 54.265 54.840 0.283 0.000 0.802 66 L CB 0.778 42.947 42.059 0.183 0.000 1.175 66 L HN 0.158 nan 8.230 nan 0.000 0.448 67 D N 1.368 121.937 120.400 0.283 0.000 2.301 67 D HA 0.274 4.914 4.640 0.000 0.000 0.206 67 D C 0.239 176.706 176.300 0.278 0.000 0.979 67 D CA 1.104 55.234 54.000 0.216 0.000 0.874 67 D CB 1.001 41.888 40.800 0.144 0.000 0.968 67 D HN 0.261 nan 8.370 nan 0.000 0.510 68 I N 0.853 121.596 120.570 0.287 0.000 2.692 68 I HA 0.318 4.488 4.170 0.000 0.000 0.293 68 I C -0.980 175.206 176.117 0.116 0.000 1.200 68 I CA -0.645 60.814 61.300 0.265 0.000 1.036 68 I CB 3.113 41.181 38.000 0.113 0.000 1.258 68 I HN -0.338 nan 8.210 nan 0.000 0.421 69 I N 5.663 126.297 120.570 0.108 0.000 2.436 69 I HA 0.435 4.606 4.170 0.000 0.000 0.289 69 I C -0.865 175.006 176.117 -0.409 0.000 1.010 69 I CA -0.923 60.236 61.300 -0.235 0.000 1.098 69 I CB 2.270 40.080 38.000 -0.318 0.000 1.266 69 I HN 0.149 nan 8.210 nan 0.000 0.434 70 V N 4.827 124.431 119.914 -0.516 0.000 2.326 70 V HA 0.367 4.487 4.120 0.000 0.000 0.281 70 V C 0.042 175.955 176.094 -0.303 0.000 1.015 70 V CA -0.480 61.578 62.300 -0.402 0.000 0.823 70 V CB 1.497 33.093 31.823 -0.378 0.000 1.009 70 V HN 0.838 nan 8.190 nan 0.000 0.436 71 T N 0.436 114.782 114.554 -0.346 0.000 2.823 71 T HA 0.428 4.778 4.350 0.000 0.000 0.279 71 T C 0.042 174.698 174.700 -0.075 0.000 0.998 71 T CA -0.564 61.406 62.100 -0.217 0.000 0.994 71 T CB 1.443 70.147 68.868 -0.273 0.000 0.960 71 T HN 0.522 nan 8.240 nan 0.000 0.448 72 C N 2.350 121.641 119.300 -0.016 0.000 3.098 72 C HA 0.305 4.765 4.460 0.000 0.000 0.265 72 C C 1.946 176.934 174.990 -0.003 0.000 1.572 72 C CA -0.384 58.645 59.018 0.018 0.000 1.788 72 C CB -0.921 26.851 27.740 0.052 0.000 2.982 72 C HN 1.031 nan 8.230 nan 0.000 0.532 73 Q N 1.921 121.692 119.800 -0.049 0.000 2.172 73 Q HA 0.344 4.684 4.340 0.000 0.000 0.200 73 Q C 1.041 177.061 176.000 0.034 0.000 0.964 73 Q CA 1.771 57.520 55.803 -0.090 0.000 0.855 73 Q CB 0.054 28.564 28.738 -0.380 0.000 0.918 73 Q HN 0.702 nan 8.270 nan 0.000 0.444 74 G N -3.125 105.739 108.800 0.106 0.000 2.381 74 G HA2 0.113 4.073 3.960 0.000 0.000 0.672 74 G HA3 0.113 4.073 3.960 0.000 0.000 0.672 74 G C 0.409 175.426 174.900 0.196 0.000 1.324 74 G CA -0.312 44.869 45.100 0.135 0.000 0.975 74 G HN 0.261 nan 8.290 nan 0.000 0.593 75 G N -0.791 108.099 108.800 0.150 0.000 2.408 75 G HA2 -0.002 3.958 3.960 0.000 0.000 0.217 75 G HA3 -0.002 3.958 3.960 0.000 0.000 0.217 75 G C 1.201 176.190 174.900 0.148 0.000 1.150 75 G CA 1.902 47.087 45.100 0.140 0.000 0.776 75 G HN 0.680 nan 8.290 nan 0.000 0.542 76 D N -0.345 120.150 120.400 0.158 0.000 2.117 76 D HA -0.140 4.500 4.640 0.000 0.000 0.197 76 D C 1.927 178.355 176.300 0.213 0.000 0.987 76 D CA 0.941 55.037 54.000 0.160 0.000 0.829 76 D CB -0.254 40.642 40.800 0.160 0.000 0.961 76 D HN 0.392 nan 8.370 nan 0.000 0.460 77 Y N 1.819 122.212 120.300 0.154 0.000 2.163 77 Y HA -0.214 4.337 4.550 0.000 0.000 0.288 77 Y C 2.448 178.457 175.900 0.183 0.000 1.136 77 Y CA 1.852 60.051 58.100 0.165 0.000 1.147 77 Y CB -0.533 37.986 38.460 0.098 0.000 0.987 77 Y HN -0.136 nan 8.280 nan 0.000 0.509 78 T N 1.067 115.787 114.554 0.277 0.000 2.720 78 T HA -0.196 4.155 4.350 0.000 0.000 0.268 78 T C 1.567 176.285 174.700 0.030 0.000 1.037 78 T CA 1.617 63.873 62.100 0.260 0.000 1.144 78 T CB -0.337 68.723 68.868 0.320 0.000 0.864 78 T HN 0.413 nan 8.240 nan 0.000 0.444 79 N N 0.789 119.514 118.700 0.041 0.000 2.309 79 N HA -0.069 4.671 4.740 0.000 0.000 0.182 79 N C 1.824 177.324 175.510 -0.017 0.000 1.018 79 N CA 0.778 53.833 53.050 0.009 0.000 0.876 79 N CB -0.129 38.377 38.487 0.031 0.000 0.972 79 N HN 0.612 nan 8.380 nan 0.000 0.434 80 E N -0.055 120.125 120.200 -0.033 0.000 2.102 80 E HA 0.013 4.364 4.350 0.000 0.000 0.190 80 E C 1.302 177.832 176.600 -0.116 0.000 0.971 80 E CA 0.351 56.730 56.400 -0.034 0.000 0.821 80 E CB 0.245 29.982 29.700 0.062 0.000 0.777 80 E HN 0.052 nan 8.360 nan 0.000 0.460 81 I N 0.241 120.652 120.570 -0.264 0.000 2.429 81 I HA -0.117 4.053 4.170 0.000 0.000 0.247 81 I C 2.102 178.019 176.117 -0.333 0.000 1.099 81 I CA 0.710 61.815 61.300 -0.325 0.000 1.422 81 I CB -0.874 36.784 38.000 -0.570 0.000 1.112 81 I HN 0.186 nan 8.210 nan 0.000 0.430 82 Y N 3.302 123.253 120.300 -0.582 0.000 2.040 82 Y HA -0.224 4.326 4.550 0.000 0.000 0.275 82 Y C -0.478 175.160 175.900 -0.436 0.000 1.171 82 Y CA 2.322 59.935 58.100 -0.812 0.000 1.123 82 Y CB -1.777 36.096 38.460 -0.979 0.000 0.963 82 Y HN 0.151 nan 8.280 nan 0.000 0.493 83 P HA -0.175 nan 4.420 nan 0.000 0.218 83 P C 0.918 178.074 177.300 -0.239 0.000 1.149 83 P CA 2.026 64.976 63.100 -0.250 0.000 0.817 83 P CB -0.077 31.567 31.700 -0.093 0.000 0.785 84 K N -0.359 119.919 120.400 -0.203 0.000 2.057 84 K HA -0.062 4.258 4.320 0.000 0.000 0.207 84 K C 2.390 178.887 176.600 -0.171 0.000 1.049 84 K CA 1.080 57.275 56.287 -0.152 0.000 0.931 84 K CB -0.519 31.908 32.500 -0.122 0.000 0.714 84 K HN 0.180 nan 8.250 nan 0.000 0.440 85 L N 0.466 121.537 121.223 -0.254 0.000 2.005 85 L HA -0.149 4.191 4.340 0.000 0.000 0.207 85 L C 2.570 179.379 176.870 -0.102 0.000 1.072 85 L CA 0.931 55.649 54.840 -0.202 0.000 0.744 85 L CB -0.336 41.518 42.059 -0.341 0.000 0.895 85 L HN 0.104 nan 8.230 nan 0.000 0.433 86 R N 0.588 120.912 120.500 -0.293 0.000 2.083 86 R HA -0.176 4.165 4.340 0.000 0.000 0.237 86 R C 2.017 178.229 176.300 -0.147 0.000 1.137 86 R CA 1.403 57.347 56.100 -0.261 0.000 0.951 86 R CB -0.736 29.263 30.300 -0.503 0.000 0.851 86 R HN 0.496 nan 8.270 nan 0.000 0.434 87 E N 0.418 120.529 120.200 -0.148 0.000 2.268 87 E HA -0.096 4.254 4.350 0.000 0.000 0.195 87 E C 1.557 178.124 176.600 -0.056 0.000 0.995 87 E CA 1.304 57.649 56.400 -0.092 0.000 0.836 87 E CB -0.011 29.637 29.700 -0.086 0.000 0.763 87 E HN 0.348 nan 8.360 nan 0.000 0.491 88 S N -0.881 114.792 115.700 -0.045 0.000 2.603 88 S HA 0.144 4.615 4.470 0.000 0.000 0.220 88 S C 1.525 176.135 174.600 0.018 0.000 0.967 88 S CA 0.375 58.568 58.200 -0.011 0.000 0.920 88 S CB 0.475 63.670 63.200 -0.007 0.000 0.773 88 S HN 0.338 nan 8.310 nan 0.000 0.529 89 G N 0.107 108.912 108.800 0.009 0.000 2.157 89 G HA2 -0.284 3.677 3.960 0.000 0.000 0.239 89 G HA3 -0.284 3.677 3.960 0.000 0.000 0.239 89 G C -0.242 174.682 174.900 0.039 0.000 0.982 89 G CA -0.162 44.941 45.100 0.005 0.000 0.650 89 G HN 0.636 nan 8.290 nan 0.000 0.527 90 W N 1.954 123.188 121.300 -0.110 0.000 2.308 90 W HA 0.565 5.225 4.660 0.000 0.000 0.324 90 W C 0.904 177.352 176.519 -0.118 0.000 1.387 90 W CA 0.328 57.614 57.345 -0.097 0.000 1.250 90 W CB 0.527 29.930 29.460 -0.095 0.000 1.257 90 W HN 0.226 nan 8.180 nan 0.000 0.554 91 Q N 4.760 124.115 119.800 -0.741 0.000 2.157 91 Q HA 0.211 4.551 4.340 0.000 0.000 0.229 91 Q C 0.880 176.221 176.000 -1.099 0.000 0.827 91 Q CA -0.230 55.131 55.803 -0.738 0.000 1.055 91 Q CB 0.801 29.285 28.738 -0.424 0.000 1.157 91 Q HN 0.635 nan 8.270 nan 0.000 0.482 92 G N 0.022 107.611 108.800 -2.018 0.000 2.621 92 G HA2 0.186 4.146 3.960 0.000 0.000 0.271 92 G HA3 0.186 4.146 3.960 0.000 0.000 0.271 92 G C -0.856 173.392 174.900 -1.087 0.000 1.236 92 G CA -0.299 43.906 45.100 -1.491 0.000 0.958 92 G HN 0.113 nan 8.290 nan 0.000 0.512 93 Y N -0.702 119.493 120.300 -0.175 0.000 2.304 93 Y HA 0.320 4.870 4.550 0.000 0.000 0.328 93 Y C 0.064 176.230 175.900 0.442 0.000 1.123 93 Y CA -0.412 57.779 58.100 0.153 0.000 1.218 93 Y CB 1.238 39.795 38.460 0.161 0.000 1.207 93 Y HN 0.463 nan 8.280 nan 0.000 0.495 94 W N 6.889 128.465 121.300 0.459 0.000 2.362 94 W HA 0.567 5.228 4.660 0.001 0.000 0.316 94 W C -1.926 174.787 176.519 0.323 0.000 1.024 94 W CA -1.205 56.397 57.345 0.429 0.000 1.270 94 W CB 0.828 30.601 29.460 0.522 0.000 1.273 94 W HN 0.456 nan 8.180 nan 0.000 0.424 95 I N 6.193 126.799 120.570 0.060 0.000 2.339 95 I HA 0.188 4.359 4.170 0.000 0.000 0.290 95 I C -0.280 175.748 176.117 -0.150 0.000 0.994 95 I CA -0.078 61.257 61.300 0.059 0.000 1.191 95 I CB 1.592 39.599 38.000 0.013 0.000 1.343 95 I HN 0.196 nan 8.210 nan 0.000 0.458 96 D N 4.003 124.416 120.400 0.021 0.000 2.738 96 D HA 0.540 5.181 4.640 0.000 0.000 0.237 96 D C 0.107 176.451 176.300 0.074 0.000 1.123 96 D CA -0.409 53.608 54.000 0.028 0.000 0.856 96 D CB 2.566 43.515 40.800 0.249 0.000 1.552 96 D HN 0.536 nan 8.370 nan 0.000 0.480 97 A N 1.864 124.718 122.820 0.058 0.000 2.169 97 A HA 0.513 4.833 4.320 0.000 0.000 0.210 97 A C 1.013 178.644 177.584 0.079 0.000 1.168 97 A CA 0.654 52.727 52.037 0.061 0.000 0.813 97 A CB -0.056 18.970 19.000 0.042 0.000 0.861 97 A HN 0.561 nan 8.150 nan 0.000 0.481 98 A N 0.485 123.366 122.820 0.101 0.000 2.445 98 A HA 0.419 4.739 4.320 0.000 0.000 0.242 98 A C 1.527 179.171 177.584 0.099 0.000 1.075 98 A CA 0.413 52.514 52.037 0.107 0.000 0.777 98 A CB 0.144 19.229 19.000 0.142 0.000 1.013 98 A HN 0.951 nan 8.150 nan 0.000 0.493 99 S N 1.190 116.943 115.700 0.087 0.000 2.489 99 S HA -0.097 4.374 4.470 0.000 0.000 0.228 99 S C 1.731 176.370 174.600 0.066 0.000 0.995 99 S CA 1.075 59.325 58.200 0.083 0.000 0.934 99 S CB -0.512 62.742 63.200 0.090 0.000 0.771 99 S HN 0.714 nan 8.310 nan 0.000 0.522 100 S N 2.846 118.580 115.700 0.056 0.000 2.407 100 S HA -0.157 4.313 4.470 0.000 0.000 0.244 100 S C 1.543 176.131 174.600 -0.021 0.000 1.077 100 S CA 2.089 60.302 58.200 0.021 0.000 1.159 100 S CB -0.691 62.521 63.200 0.020 0.000 1.045 100 S HN 0.609 nan 8.310 nan 0.000 0.438 101 L N 0.541 121.731 121.223 -0.054 0.000 2.592 101 L HA 0.201 4.541 4.340 0.000 0.000 0.227 101 L C 2.209 179.050 176.870 -0.048 0.000 1.127 101 L CA -0.025 54.743 54.840 -0.119 0.000 0.884 101 L CB -0.325 41.555 42.059 -0.298 0.000 1.065 101 L HN 0.162 nan 8.230 nan 0.000 0.457 102 R N 0.521 121.028 120.500 0.013 0.000 2.113 102 R HA -0.170 4.170 4.340 0.000 0.000 0.244 102 R C 1.525 177.847 176.300 0.037 0.000 1.142 102 R CA 1.394 57.517 56.100 0.038 0.000 0.953 102 R CB -0.247 30.097 30.300 0.074 0.000 0.860 102 R HN 0.283 nan 8.270 nan 0.000 0.438 103 M N 0.903 120.538 119.600 0.058 0.000 2.494 103 M HA 0.112 4.592 4.480 0.000 0.000 0.232 103 M C -0.175 176.145 176.300 0.034 0.000 1.137 103 M CA 0.213 55.554 55.300 0.069 0.000 1.012 103 M CB -0.046 32.641 32.600 0.145 0.000 1.567 103 M HN -0.169 nan 8.290 nan 0.000 0.486 104 K N 1.607 122.007 120.400 -0.000 0.000 2.326 104 K HA 0.044 4.364 4.320 0.000 0.000 0.275 104 K C 0.593 177.185 176.600 -0.013 0.000 1.018 104 K CA -0.039 56.240 56.287 -0.013 0.000 0.962 104 K CB 0.854 33.326 32.500 -0.046 0.000 0.953 104 K HN 0.093 nan 8.250 nan 0.000 0.475 105 D N 1.264 121.660 120.400 -0.006 0.000 2.263 105 D HA -0.146 4.494 4.640 0.000 0.000 0.208 105 D C 0.725 177.012 176.300 -0.021 0.000 0.971 105 D CA 1.205 55.201 54.000 -0.007 0.000 0.867 105 D CB 0.225 41.024 40.800 -0.001 0.000 0.929 105 D HN 0.565 nan 8.370 nan 0.000 0.492 106 D N -0.321 120.062 120.400 -0.029 0.000 2.388 106 D HA 0.235 4.876 4.640 0.000 0.000 0.221 106 D C 0.051 176.296 176.300 -0.092 0.000 1.133 106 D CA -0.301 53.672 54.000 -0.045 0.000 0.831 106 D CB 0.150 40.937 40.800 -0.022 0.000 0.962 106 D HN -0.042 nan 8.370 nan 0.000 0.502 107 A N 0.441 123.201 122.820 -0.100 0.000 2.401 107 A HA 0.647 4.967 4.320 0.000 0.000 0.310 107 A C -0.779 176.730 177.584 -0.125 0.000 1.075 107 A CA -0.753 51.190 52.037 -0.156 0.000 0.746 107 A CB 1.560 20.485 19.000 -0.125 0.000 1.277 107 A HN 0.159 nan 8.150 nan 0.000 0.425 108 I N 2.229 122.696 120.570 -0.172 0.000 2.441 108 I HA 0.335 4.505 4.170 0.000 0.000 0.295 108 I C -0.440 175.724 176.117 0.079 0.000 0.994 108 I CA -0.376 60.916 61.300 -0.014 0.000 1.144 108 I CB 1.706 39.758 38.000 0.087 0.000 1.314 108 I HN 0.546 nan 8.210 nan 0.000 0.445 109 I N 6.603 127.221 120.570 0.080 0.000 2.352 109 I HA 0.255 4.425 4.170 0.000 0.000 0.290 109 I C 0.332 176.519 176.117 0.117 0.000 1.036 109 I CA -0.488 60.864 61.300 0.087 0.000 1.336 109 I CB 0.762 38.789 38.000 0.045 0.000 1.407 109 I HN 0.392 nan 8.210 nan 0.000 0.497 110 I N 5.463 126.120 120.570 0.145 0.000 2.331 110 I HA 0.512 4.682 4.170 0.000 0.000 0.292 110 I C -0.659 175.510 176.117 0.087 0.000 0.998 110 I CA -0.554 60.825 61.300 0.132 0.000 1.267 110 I CB 1.571 39.661 38.000 0.151 0.000 1.386 110 I HN 0.478 nan 8.210 nan 0.000 0.476 111 L N 7.463 128.725 121.223 0.065 0.000 2.400 111 L HA 0.178 4.518 4.340 0.000 0.000 0.261 111 L C 0.888 177.781 176.870 0.038 0.000 1.554 111 L CA 0.023 54.893 54.840 0.050 0.000 0.774 111 L CB 0.234 42.293 42.059 -0.000 0.000 0.964 111 L HN 0.842 nan 8.230 nan 0.000 0.524 112 D N 0.564 120.999 120.400 0.058 0.000 2.170 112 D HA -0.225 4.415 4.640 0.000 0.000 0.193 112 D C -1.191 175.146 176.300 0.063 0.000 1.004 112 D CA 1.590 55.621 54.000 0.051 0.000 0.860 112 D CB -0.892 39.934 40.800 0.043 0.000 0.931 112 D HN 0.389 nan 8.370 nan 0.000 0.448 113 P HA -0.060 nan 4.420 nan 0.000 0.223 113 P C 1.627 179.019 177.300 0.153 0.000 1.144 113 P CA 0.656 63.820 63.100 0.107 0.000 0.783 113 P CB 0.157 31.868 31.700 0.018 0.000 0.771 114 V N -0.534 119.439 119.914 0.099 0.000 2.908 114 V HA 0.076 4.196 4.120 0.000 0.000 0.240 114 V C 1.185 177.330 176.094 0.085 0.000 1.117 114 V CA 1.352 63.734 62.300 0.137 0.000 1.133 114 V CB -0.410 31.404 31.823 -0.015 0.000 0.857 114 V HN 0.240 nan 8.190 nan 0.000 0.478 115 N N 0.005 118.733 118.700 0.046 0.000 2.571 115 N HA 0.073 4.813 4.740 0.000 0.000 0.298 115 N C 0.961 176.496 175.510 0.041 0.000 1.671 115 N CA -0.167 52.907 53.050 0.040 0.000 0.900 115 N CB 0.663 39.167 38.487 0.029 0.000 1.365 115 N HN 0.248 nan 8.380 nan 0.000 0.493 116 Q N 1.483 121.303 119.800 0.034 0.000 2.181 116 Q HA -0.191 4.149 4.340 0.000 0.000 0.205 116 Q C 1.214 177.227 176.000 0.022 0.000 0.980 116 Q CA 2.222 58.038 55.803 0.021 0.000 0.862 116 Q CB -0.072 28.674 28.738 0.014 0.000 0.905 116 Q HN 0.553 nan 8.270 nan 0.000 0.429 117 D N -1.055 119.361 120.400 0.025 0.000 2.097 117 D HA -0.152 4.488 4.640 0.000 0.000 0.195 117 D C 1.756 178.081 176.300 0.041 0.000 0.989 117 D CA 1.591 55.607 54.000 0.026 0.000 0.827 117 D CB -0.586 40.228 40.800 0.023 0.000 0.966 117 D HN 0.272 nan 8.370 nan 0.000 0.456 118 V N 1.455 121.398 119.914 0.049 0.000 2.343 118 V HA -0.219 3.901 4.120 0.000 0.000 0.247 118 V C 2.817 178.973 176.094 0.103 0.000 1.051 118 V CA 1.205 63.545 62.300 0.066 0.000 1.036 118 V CB -0.498 31.363 31.823 0.062 0.000 0.654 118 V HN 0.188 nan 8.190 nan 0.000 0.451 119 I N 1.019 121.652 120.570 0.106 0.000 2.142 119 I HA -0.261 3.909 4.170 0.000 0.000 0.240 119 I C 2.802 178.986 176.117 0.112 0.000 1.078 119 I CA 2.154 63.540 61.300 0.143 0.000 1.343 119 I CB -0.953 37.065 38.000 0.030 0.000 1.046 119 I HN 0.503 nan 8.210 nan 0.000 0.405 120 T N -1.483 113.100 114.554 0.048 0.000 2.720 120 T HA -0.201 4.150 4.350 0.000 0.000 0.268 120 T C 1.448 176.188 174.700 0.066 0.000 1.037 120 T CA 1.738 63.859 62.100 0.034 0.000 1.144 120 T CB -0.642 68.234 68.868 0.014 0.000 0.864 120 T HN 0.222 nan 8.240 nan 0.000 0.444 121 D N 1.857 122.298 120.400 0.068 0.000 2.092 121 D HA 0.034 4.674 4.640 0.000 0.000 0.193 121 D C 2.511 178.867 176.300 0.093 0.000 0.994 121 D CA 1.540 55.579 54.000 0.066 0.000 0.828 121 D CB -1.072 39.761 40.800 0.054 0.000 0.963 121 D HN 0.523 nan 8.370 nan 0.000 0.450 122 G N 0.488 109.365 108.800 0.128 0.000 2.469 122 G HA2 -0.256 3.705 3.960 0.000 0.000 0.219 122 G HA3 -0.256 3.705 3.960 0.000 0.000 0.219 122 G C 1.500 176.524 174.900 0.206 0.000 1.150 122 G CA 0.533 45.725 45.100 0.154 0.000 0.763 122 G HN 0.144 nan 8.290 nan 0.000 0.561 123 L N 1.427 122.810 121.223 0.267 0.000 1.989 123 L HA -0.052 4.288 4.340 0.000 0.000 0.211 123 L C 2.282 179.253 176.870 0.170 0.000 1.071 123 L CA 1.560 56.566 54.840 0.276 0.000 0.749 123 L CB -0.860 41.290 42.059 0.152 0.000 0.890 123 L HN 0.178 nan 8.230 nan 0.000 0.431 124 N N -0.032 118.734 118.700 0.110 0.000 2.573 124 N HA -0.091 4.649 4.740 0.000 0.000 0.187 124 N C 0.559 176.107 175.510 0.063 0.000 1.107 124 N CA 0.564 53.658 53.050 0.073 0.000 0.918 124 N CB -0.229 38.289 38.487 0.051 0.000 0.966 124 N HN 0.456 nan 8.380 nan 0.000 0.448 125 N N -0.361 118.383 118.700 0.072 0.000 2.275 125 N HA 0.135 4.876 4.740 0.000 0.000 0.236 125 N C 0.847 176.381 175.510 0.039 0.000 1.154 125 N CA 0.263 53.342 53.050 0.048 0.000 0.866 125 N CB 1.068 39.580 38.487 0.041 0.000 1.093 125 N HN 0.189 nan 8.380 nan 0.000 0.515 126 G N 1.011 109.843 108.800 0.053 0.000 2.179 126 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 126 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 126 G C 0.119 175.025 174.900 0.010 0.000 0.977 126 G CA -0.293 44.820 45.100 0.022 0.000 0.641 126 G HN 0.350 nan 8.290 nan 0.000 0.533 127 I N 0.951 121.547 120.570 0.043 0.000 2.533 127 I HA 0.247 4.417 4.170 0.000 0.000 0.284 127 I C 1.312 177.428 176.117 -0.002 0.000 1.109 127 I CA -0.174 61.098 61.300 -0.048 0.000 1.412 127 I CB 0.698 38.633 38.000 -0.109 0.000 1.396 127 I HN 0.010 nan 8.210 nan 0.000 0.543 128 R N 3.668 124.107 120.500 -0.102 0.000 2.565 128 R HA 0.237 4.577 4.340 0.000 0.000 0.347 128 R C -0.555 175.786 176.300 0.068 0.000 1.010 128 R CA -0.036 56.076 56.100 0.021 0.000 1.126 128 R CB 0.515 30.649 30.300 -0.276 0.000 1.331 128 R HN 0.471 nan 8.270 nan 0.000 0.552 129 T N 1.466 115.844 114.554 -0.293 0.000 2.847 129 T HA 0.535 4.885 4.350 0.000 0.000 0.291 129 T C -0.941 173.449 174.700 -0.517 0.000 0.998 129 T CA -0.262 61.767 62.100 -0.117 0.000 0.967 129 T CB 0.719 69.576 68.868 -0.019 0.000 0.954 129 T HN -0.097 nan 8.240 nan 0.000 0.441 130 F N 2.313 122.401 119.950 0.230 0.000 2.460 130 F HA 0.583 5.111 4.527 0.001 0.000 0.341 130 F C -0.111 175.767 175.800 0.131 0.000 1.130 130 F CA -1.041 57.046 58.000 0.145 0.000 0.962 130 F CB 1.488 40.556 39.000 0.115 0.000 1.171 130 F HN 0.199 nan 8.300 nan 0.000 0.436 131 V N 2.275 122.315 119.914 0.209 0.000 2.513 131 V HA 0.700 4.821 4.120 0.000 0.000 0.299 131 V C 0.518 176.690 176.094 0.131 0.000 1.035 131 V CA -1.069 61.324 62.300 0.155 0.000 0.889 131 V CB 1.603 33.487 31.823 0.101 0.000 0.988 131 V HN 0.874 nan 8.190 nan 0.000 0.440 132 G N 2.371 111.236 108.800 0.109 0.000 2.483 132 G HA2 0.489 4.450 3.960 0.000 0.000 0.248 132 G HA3 0.489 4.450 3.960 0.000 0.000 0.248 132 G C 0.377 175.324 174.900 0.079 0.000 1.248 132 G CA 0.238 45.391 45.100 0.089 0.000 0.838 132 G HN 1.073 nan 8.290 nan 0.000 0.566 133 G N 0.225 109.067 108.800 0.069 0.000 2.504 133 G HA2 0.346 4.306 3.960 0.000 0.000 0.288 133 G HA3 0.346 4.306 3.960 0.000 0.000 0.288 133 G C 0.184 175.122 174.900 0.064 0.000 1.182 133 G CA -0.641 44.494 45.100 0.057 0.000 0.894 133 G HN 0.724 nan 8.290 nan 0.000 0.521 134 N N -0.983 117.756 118.700 0.065 0.000 2.407 134 N HA -0.049 4.691 4.740 0.000 0.000 0.250 134 N C 1.908 177.472 175.510 0.089 0.000 1.236 134 N CA 0.304 53.402 53.050 0.081 0.000 0.879 134 N CB 0.509 39.046 38.487 0.082 0.000 1.088 134 N HN 0.585 nan 8.380 nan 0.000 0.450 135 C N 0.718 120.087 119.300 0.116 0.000 2.391 135 C HA -0.217 4.244 4.460 0.000 0.000 0.276 135 C C 2.533 177.636 174.990 0.188 0.000 1.217 135 C CA 1.474 60.579 59.018 0.145 0.000 1.766 135 C CB -2.028 25.819 27.740 0.177 0.000 2.046 135 C HN 0.860 nan 8.230 nan 0.000 0.475 136 T N 0.319 114.986 114.554 0.187 0.000 2.674 136 T HA -0.130 4.220 4.350 0.000 0.000 0.265 136 T C 1.674 176.436 174.700 0.103 0.000 1.039 136 T CA 2.024 64.210 62.100 0.144 0.000 1.150 136 T CB -1.001 67.906 68.868 0.065 0.000 0.864 136 T HN 0.424 nan 8.240 nan 0.000 0.427 137 V N 1.606 121.556 119.914 0.060 0.000 2.427 137 V HA -0.131 3.989 4.120 0.000 0.000 0.248 137 V C 3.087 179.168 176.094 -0.023 0.000 1.051 137 V CA 1.875 64.179 62.300 0.006 0.000 1.048 137 V CB -0.984 30.822 31.823 -0.028 0.000 0.666 137 V HN 0.649 nan 8.190 nan 0.000 0.456 138 S N -0.200 115.507 115.700 0.011 0.000 2.356 138 S HA -0.146 4.324 4.470 0.000 0.000 0.223 138 S C 1.948 176.537 174.600 -0.018 0.000 1.032 138 S CA 1.692 59.891 58.200 -0.000 0.000 1.005 138 S CB -0.302 62.932 63.200 0.057 0.000 0.867 138 S HN 0.515 nan 8.310 nan 0.000 0.449 139 L N 0.927 122.174 121.223 0.040 0.000 2.093 139 L HA -0.071 4.269 4.340 0.000 0.000 0.208 139 L C 2.747 179.626 176.870 0.014 0.000 1.085 139 L CA 1.630 56.493 54.840 0.039 0.000 0.755 139 L CB -0.519 41.604 42.059 0.107 0.000 0.904 139 L HN 0.486 nan 8.230 nan 0.000 0.435 140 M N 0.003 119.630 119.600 0.046 0.000 2.086 140 M HA -0.217 4.263 4.480 0.000 0.000 0.261 140 M C 2.180 178.400 176.300 -0.132 0.000 1.067 140 M CA 1.878 57.195 55.300 0.027 0.000 1.116 140 M CB -0.015 32.649 32.600 0.106 0.000 1.348 140 M HN 0.190 nan 8.290 nan 0.000 0.407 141 L N -0.148 120.961 121.223 -0.189 0.000 2.217 141 L HA -0.160 4.180 4.340 0.000 0.000 0.211 141 L C 2.504 179.208 176.870 -0.277 0.000 1.107 141 L CA 0.441 55.106 54.840 -0.292 0.000 0.783 141 L CB -0.492 41.361 42.059 -0.343 0.000 0.919 141 L HN 0.415 nan 8.230 nan 0.000 0.442 142 M N -1.020 118.433 119.600 -0.245 0.000 2.254 142 M HA -0.099 4.381 4.480 0.000 0.000 0.265 142 M C 2.363 178.538 176.300 -0.208 0.000 1.066 142 M CA 1.377 56.496 55.300 -0.301 0.000 1.123 142 M CB -0.731 31.607 32.600 -0.437 0.000 1.388 142 M HN 0.117 nan 8.290 nan 0.000 0.425 143 S N 0.288 115.900 115.700 -0.147 0.000 2.371 143 S HA 0.147 4.618 4.470 0.000 0.000 0.221 143 S C 1.643 176.173 174.600 -0.116 0.000 1.036 143 S CA 0.625 58.771 58.200 -0.090 0.000 0.965 143 S CB 0.062 63.241 63.200 -0.036 0.000 0.845 143 S HN 0.416 nan 8.310 nan 0.000 0.475 144 L N 1.444 122.579 121.223 -0.146 0.000 2.741 144 L HA 0.319 4.659 4.340 0.000 0.000 0.237 144 L C 2.089 178.927 176.870 -0.054 0.000 1.178 144 L CA -0.154 54.619 54.840 -0.111 0.000 0.973 144 L CB -0.503 41.475 42.059 -0.135 0.000 1.255 144 L HN 0.322 nan 8.230 nan 0.000 0.498 145 G N 0.890 109.519 108.800 -0.284 0.000 2.469 145 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 145 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 145 G C 1.551 176.210 174.900 -0.401 0.000 1.150 145 G CA 0.925 45.644 45.100 -0.635 0.000 0.763 145 G HN 0.487 nan 8.290 nan 0.000 0.561 146 G N 0.715 109.405 108.800 -0.183 0.000 2.442 146 G HA2 -0.160 3.800 3.960 0.000 0.000 0.219 146 G HA3 -0.160 3.800 3.960 0.000 0.000 0.219 146 G C 1.799 176.711 174.900 0.019 0.000 1.141 146 G CA 0.808 45.960 45.100 0.088 0.000 0.763 146 G HN 0.444 nan 8.290 nan 0.000 0.554 147 L N -1.008 120.173 121.223 -0.070 0.000 2.027 147 L HA 0.039 4.379 4.340 0.000 0.000 0.206 147 L C 2.704 179.450 176.870 -0.208 0.000 1.074 147 L CA 0.847 55.575 54.840 -0.186 0.000 0.745 147 L CB -0.418 41.437 42.059 -0.341 0.000 0.898 147 L HN 0.147 nan 8.230 nan 0.000 0.433 148 F N 0.002 119.884 119.950 -0.113 0.000 2.146 148 F HA -0.169 4.358 4.527 0.000 0.000 0.298 148 F C 2.635 178.414 175.800 -0.034 0.000 1.096 148 F CA 1.195 59.144 58.000 -0.085 0.000 1.275 148 F CB -0.751 38.185 39.000 -0.108 0.000 1.008 148 F HN -0.005 nan 8.300 nan 0.000 0.480 149 A N -0.230 122.709 122.820 0.199 0.000 2.024 149 A HA -0.182 4.138 4.320 0.000 0.000 0.220 149 A C 1.792 179.426 177.584 0.084 0.000 1.164 149 A CA 1.756 53.895 52.037 0.170 0.000 0.643 149 A CB -0.649 18.521 19.000 0.284 0.000 0.806 149 A HN 0.389 nan 8.150 nan 0.000 0.451 150 N N -0.395 118.330 118.700 0.042 0.000 2.270 150 N HA 0.020 4.760 4.740 0.000 0.000 0.198 150 N C -0.295 175.197 175.510 -0.029 0.000 1.117 150 N CA 0.802 53.851 53.050 -0.002 0.000 0.845 150 N CB 0.164 38.638 38.487 -0.022 0.000 0.980 150 N HN 0.486 nan 8.380 nan 0.000 0.486 151 D N 0.343 120.729 120.400 -0.023 0.000 2.708 151 D HA -0.177 4.463 4.640 0.000 0.000 0.236 151 D C 0.411 176.650 176.300 -0.101 0.000 1.146 151 D CA 0.377 54.352 54.000 -0.042 0.000 0.662 151 D CB -1.170 39.619 40.800 -0.018 0.000 1.059 151 D HN 0.311 nan 8.370 nan 0.000 0.428 152 L N -1.005 120.118 121.223 -0.167 0.000 2.585 152 L HA 0.207 4.548 4.340 0.000 0.000 0.226 152 L C 0.657 177.353 176.870 -0.289 0.000 1.113 152 L CA -0.160 54.557 54.840 -0.205 0.000 0.876 152 L CB 0.391 42.329 42.059 -0.201 0.000 1.072 152 L HN 0.011 nan 8.230 nan 0.000 0.468 153 V N 0.415 120.109 119.914 -0.366 0.000 2.385 153 V HA 0.039 4.160 4.120 0.000 0.000 0.269 153 V C 0.585 176.527 176.094 -0.254 0.000 1.043 153 V CA -0.002 62.039 62.300 -0.431 0.000 0.906 153 V CB 1.477 32.838 31.823 -0.771 0.000 0.995 153 V HN 0.092 nan 8.190 nan 0.000 0.467 154 D N 4.130 124.360 120.400 -0.283 0.000 2.144 154 D HA 0.099 4.739 4.640 0.000 0.000 0.207 154 D C 0.277 176.587 176.300 0.016 0.000 0.970 154 D CA 1.103 55.001 54.000 -0.170 0.000 0.853 154 D CB 0.423 41.042 40.800 -0.302 0.000 1.007 154 D HN 0.684 nan 8.370 nan 0.000 0.469 155 W N -1.255 119.979 121.300 -0.110 0.000 3.059 155 W HA 0.548 5.209 4.660 0.001 0.000 0.329 155 W C -2.051 174.445 176.519 -0.039 0.000 1.246 155 W CA -0.925 56.389 57.345 -0.052 0.000 1.190 155 W CB 0.514 29.954 29.460 -0.032 0.000 1.423 155 W HN -0.440 nan 8.180 nan 0.000 0.571 156 V N 1.871 122.126 119.914 0.568 0.000 2.638 156 V HA 0.433 4.554 4.120 0.000 0.000 0.306 156 V C -0.416 175.989 176.094 0.518 0.000 1.052 156 V CA -0.564 62.025 62.300 0.481 0.000 0.885 156 V CB 1.519 33.535 31.823 0.322 0.000 0.999 156 V HN 0.542 nan 8.190 nan 0.000 0.424 157 S N 3.550 119.584 115.700 0.557 0.000 2.478 157 S HA 0.824 5.294 4.470 0.000 0.000 0.312 157 S C -0.771 174.001 174.600 0.286 0.000 1.094 157 S CA -0.396 58.013 58.200 0.347 0.000 1.081 157 S CB 1.207 64.624 63.200 0.361 0.000 1.007 157 S HN 0.522 nan 8.310 nan 0.000 0.475 158 V N 2.871 122.872 119.914 0.144 0.000 2.864 158 V HA 0.950 5.070 4.120 0.000 0.000 0.314 158 V C -0.134 175.903 176.094 -0.094 0.000 1.073 158 V CA -0.965 61.320 62.300 -0.025 0.000 0.956 158 V CB 1.752 33.558 31.823 -0.028 0.000 1.023 158 V HN 1.005 nan 8.190 nan 0.000 0.435 159 A N 1.694 124.408 122.820 -0.178 0.000 2.385 159 A HA 0.789 5.109 4.320 0.000 0.000 0.290 159 A C -0.141 177.327 177.584 -0.193 0.000 1.094 159 A CA -0.268 51.675 52.037 -0.157 0.000 0.729 159 A CB 1.371 20.322 19.000 -0.082 0.000 1.194 159 A HN 1.037 nan 8.150 nan 0.000 0.442 160 T N -1.026 113.389 114.554 -0.232 0.000 2.943 160 T HA 0.697 5.048 4.350 0.000 0.000 0.284 160 T C -0.883 173.662 174.700 -0.258 0.000 1.015 160 T CA -0.368 61.632 62.100 -0.167 0.000 1.042 160 T CB 0.856 69.618 68.868 -0.177 0.000 1.055 160 T HN 0.433 nan 8.240 nan 0.000 0.500 161 Y N 0.541 120.764 120.300 -0.129 0.000 2.662 161 Y HA 0.372 4.923 4.550 0.001 0.000 0.358 161 Y C 0.417 176.269 175.900 -0.080 0.000 1.041 161 Y CA -0.996 57.071 58.100 -0.056 0.000 1.184 161 Y CB 0.584 39.064 38.460 0.034 0.000 1.114 161 Y HN 0.625 nan 8.280 nan 0.000 0.650 162 Q N 1.692 121.448 119.800 -0.073 0.000 2.286 162 Q HA 0.650 4.990 4.340 0.000 0.000 0.257 162 Q C 0.126 176.179 176.000 0.090 0.000 0.941 162 Q CA -0.607 55.065 55.803 -0.219 0.000 0.912 162 Q CB 1.564 30.010 28.738 -0.486 0.000 1.192 162 Q HN 0.703 nan 8.270 nan 0.000 0.410 163 A N 1.759 124.822 122.820 0.405 0.000 2.386 163 A HA 0.395 4.715 4.320 0.000 0.000 0.248 163 A C 1.017 178.779 177.584 0.297 0.000 1.082 163 A CA 0.353 52.579 52.037 0.315 0.000 0.789 163 A CB 0.394 19.548 19.000 0.257 0.000 1.025 163 A HN 0.946 nan 8.150 nan 0.000 0.490 164 A N 1.088 124.061 122.820 0.256 0.000 2.019 164 A HA -0.060 4.260 4.320 0.000 0.000 0.219 164 A C 2.309 180.054 177.584 0.267 0.000 1.164 164 A CA 2.154 54.424 52.037 0.388 0.000 0.644 164 A CB -1.112 18.150 19.000 0.437 0.000 0.805 164 A HN 1.722 nan 8.150 nan 0.000 0.449 165 S N -0.352 115.449 115.700 0.167 0.000 2.440 165 S HA -0.059 4.412 4.470 0.000 0.000 0.238 165 S C 1.883 176.511 174.600 0.047 0.000 1.010 165 S CA 1.296 59.544 58.200 0.079 0.000 0.972 165 S CB -1.061 62.156 63.200 0.029 0.000 0.774 165 S HN 0.688 nan 8.310 nan 0.000 0.501 166 G N 1.197 110.070 108.800 0.120 0.000 2.443 166 G HA2 0.151 4.111 3.960 0.000 0.000 0.219 166 G HA3 0.151 4.111 3.960 0.000 0.000 0.219 166 G C 1.302 176.185 174.900 -0.027 0.000 1.131 166 G CA 0.535 45.705 45.100 0.116 0.000 0.775 166 G HN 0.644 nan 8.290 nan 0.000 0.547 167 G N -0.297 108.409 108.800 -0.156 0.000 2.395 167 G HA2 0.426 4.386 3.960 0.000 0.000 0.214 167 G HA3 0.426 4.386 3.960 0.000 0.000 0.214 167 G C 0.766 175.177 174.900 -0.816 0.000 1.177 167 G CA 0.966 45.608 45.100 -0.763 0.000 0.794 167 G HN 1.287 nan 8.290 nan 0.000 0.532 168 G N -2.210 106.367 108.800 -0.371 0.000 2.369 168 G HA2 0.474 4.434 3.960 0.000 0.000 0.293 168 G HA3 0.474 4.434 3.960 0.000 0.000 0.293 168 G C 0.661 175.604 174.900 0.072 0.000 1.301 168 G CA 0.268 45.322 45.100 -0.076 0.000 0.913 168 G HN 0.871 nan 8.290 nan 0.000 0.540 169 A N -0.245 122.618 122.820 0.072 0.000 1.877 169 A HA -0.005 4.316 4.320 0.000 0.000 0.216 169 A C 2.376 180.009 177.584 0.082 0.000 1.186 169 A CA 2.254 54.330 52.037 0.066 0.000 0.620 169 A CB -0.489 18.532 19.000 0.035 0.000 0.822 169 A HN 0.664 nan 8.150 nan 0.000 0.443 170 R N -1.099 119.452 120.500 0.086 0.000 2.081 170 R HA -0.165 4.175 4.340 0.000 0.000 0.235 170 R C 2.008 178.286 176.300 -0.037 0.000 1.131 170 R CA 1.763 57.866 56.100 0.006 0.000 0.960 170 R CB -0.780 29.482 30.300 -0.064 0.000 0.856 170 R HN 0.707 nan 8.270 nan 0.000 0.436 171 H N 0.646 119.629 119.070 -0.145 0.000 2.353 171 H HA -0.035 4.521 4.556 0.000 0.000 0.300 171 H C 2.169 177.545 175.328 0.080 0.000 1.090 171 H CA 1.720 57.624 56.048 -0.239 0.000 1.327 171 H CB -0.255 29.247 29.762 -0.433 0.000 1.383 171 H HN 0.095 nan 8.280 nan 0.000 0.508 172 M N -0.204 119.531 119.600 0.225 0.000 2.117 172 M HA -0.143 4.337 4.480 0.000 0.000 0.262 172 M C 2.226 178.615 176.300 0.149 0.000 1.065 172 M CA 1.516 56.933 55.300 0.195 0.000 1.114 172 M CB -0.078 32.602 32.600 0.133 0.000 1.361 172 M HN 0.162 nan 8.290 nan 0.000 0.408 173 R N -0.056 120.506 120.500 0.103 0.000 2.096 173 R HA -0.170 4.170 4.340 0.000 0.000 0.235 173 R C 2.113 178.468 176.300 0.093 0.000 1.127 173 R CA 1.523 57.671 56.100 0.079 0.000 0.968 173 R CB -0.443 29.886 30.300 0.048 0.000 0.861 173 R HN 0.508 nan 8.270 nan 0.000 0.440 174 E N 0.921 121.175 120.200 0.091 0.000 2.077 174 E HA -0.214 4.136 4.350 0.000 0.000 0.193 174 E C 1.960 178.661 176.600 0.168 0.000 0.989 174 E CA 0.953 57.416 56.400 0.106 0.000 0.800 174 E CB 0.002 29.740 29.700 0.063 0.000 0.746 174 E HN 0.115 nan 8.360 nan 0.000 0.452 175 L N 0.781 122.137 121.223 0.223 0.000 2.017 175 L HA -0.143 4.197 4.340 0.000 0.000 0.208 175 L C 2.116 179.069 176.870 0.138 0.000 1.073 175 L CA 1.605 56.562 54.840 0.194 0.000 0.745 175 L CB -0.444 41.743 42.059 0.213 0.000 0.894 175 L HN 0.226 nan 8.230 nan 0.000 0.432 176 L N -1.114 120.184 121.223 0.125 0.000 2.093 176 L HA -0.185 4.156 4.340 0.000 0.000 0.208 176 L C 2.339 179.274 176.870 0.109 0.000 1.085 176 L CA 1.638 56.538 54.840 0.100 0.000 0.755 176 L CB -0.858 41.249 42.059 0.081 0.000 0.904 176 L HN 0.292 nan 8.230 nan 0.000 0.435 177 T N -0.919 113.711 114.554 0.126 0.000 2.746 177 T HA -0.207 4.143 4.350 0.000 0.000 0.267 177 T C 1.865 176.723 174.700 0.263 0.000 1.039 177 T CA 1.217 63.416 62.100 0.164 0.000 1.142 177 T CB -0.133 68.837 68.868 0.169 0.000 0.866 177 T HN 0.405 nan 8.240 nan 0.000 0.444 178 Q N 0.405 120.331 119.800 0.210 0.000 2.124 178 Q HA 0.018 4.359 4.340 0.000 0.000 0.202 178 Q C 2.389 178.502 176.000 0.187 0.000 0.977 178 Q CA 1.108 57.024 55.803 0.189 0.000 0.850 178 Q CB -0.323 28.475 28.738 0.100 0.000 0.901 178 Q HN 0.522 nan 8.270 nan 0.000 0.429 179 M N 0.021 119.710 119.600 0.148 0.000 2.202 179 M HA -0.124 4.357 4.480 0.000 0.000 0.262 179 M C 2.185 178.584 176.300 0.165 0.000 1.063 179 M CA 1.512 56.892 55.300 0.134 0.000 1.097 179 M CB -0.517 32.141 32.600 0.096 0.000 1.382 179 M HN 0.358 nan 8.290 nan 0.000 0.413 180 G N -0.701 108.190 108.800 0.153 0.000 2.404 180 G HA2 -0.191 3.769 3.960 0.000 0.000 0.215 180 G HA3 -0.191 3.769 3.960 0.000 0.000 0.215 180 G C 1.297 176.268 174.900 0.118 0.000 1.174 180 G CA 0.586 45.761 45.100 0.125 0.000 0.780 180 G HN 0.451 nan 8.290 nan 0.000 0.537 181 H N 0.432 119.557 119.070 0.092 0.000 2.321 181 H HA 0.012 4.568 4.556 0.001 0.000 0.300 181 H C 2.765 178.141 175.328 0.081 0.000 1.087 181 H CA 1.258 57.344 56.048 0.064 0.000 1.319 181 H CB -0.159 29.617 29.762 0.022 0.000 1.379 181 H HN 0.231 nan 8.280 nan 0.000 0.501 182 L N -0.190 121.170 121.223 0.228 0.000 2.012 182 L HA -0.249 4.092 4.340 0.000 0.000 0.210 182 L C 2.660 179.647 176.870 0.194 0.000 1.073 182 L CA 1.620 56.568 54.840 0.180 0.000 0.748 182 L CB -0.759 41.390 42.059 0.149 0.000 0.891 182 L HN 0.238 nan 8.230 nan 0.000 0.431 183 Y N 1.116 121.474 120.300 0.096 0.000 2.133 183 Y HA -0.123 4.427 4.550 0.000 0.000 0.287 183 Y C 2.389 178.332 175.900 0.072 0.000 1.134 183 Y CA 1.438 59.581 58.100 0.071 0.000 1.133 183 Y CB -0.821 37.668 38.460 0.048 0.000 0.987 183 Y HN 0.050 nan 8.280 nan 0.000 0.502 184 G N -1.276 107.471 108.800 -0.088 0.000 2.475 184 G HA2 -0.381 3.579 3.960 0.000 0.000 0.220 184 G HA3 -0.381 3.579 3.960 0.000 0.000 0.220 184 G C 1.395 176.215 174.900 -0.133 0.000 1.125 184 G CA 1.310 46.299 45.100 -0.186 0.000 0.755 184 G HN 0.589 nan 8.290 nan 0.000 0.565 185 H N -0.499 118.499 119.070 -0.120 0.000 2.457 185 H HA 0.137 4.693 4.556 0.001 0.000 0.294 185 H C 1.490 176.752 175.328 -0.109 0.000 1.064 185 H CA 1.158 57.163 56.048 -0.073 0.000 1.330 185 H CB 0.243 30.002 29.762 -0.005 0.000 1.395 185 H HN 0.142 nan 8.280 nan 0.000 0.541 186 V N 0.188 119.987 119.914 -0.191 0.000 3.078 186 V HA 0.313 4.433 4.120 0.000 0.000 0.344 186 V C 1.705 177.623 176.094 -0.294 0.000 1.409 186 V CA 0.532 62.702 62.300 -0.218 0.000 1.146 186 V CB 0.164 31.930 31.823 -0.094 0.000 1.126 186 V HN 0.531 nan 8.190 nan 0.000 0.513 187 A N 0.542 123.075 122.820 -0.477 0.000 1.883 187 A HA -0.216 4.104 4.320 0.000 0.000 0.217 187 A C 1.942 179.386 177.584 -0.234 0.000 1.186 187 A CA 2.400 54.070 52.037 -0.612 0.000 0.624 187 A CB -0.306 18.330 19.000 -0.606 0.000 0.822 187 A HN 0.525 nan 8.150 nan 0.000 0.444 188 D N 0.081 120.379 120.400 -0.170 0.000 2.078 188 D HA -0.162 4.478 4.640 0.000 0.000 0.193 188 D C 2.003 178.264 176.300 -0.065 0.000 0.990 188 D CA 1.589 55.534 54.000 -0.092 0.000 0.827 188 D CB -0.523 40.226 40.800 -0.085 0.000 0.975 188 D HN 0.709 nan 8.370 nan 0.000 0.451 189 E N 1.307 121.460 120.200 -0.078 0.000 2.160 189 E HA -0.163 4.187 4.350 0.000 0.000 0.195 189 E C 2.530 179.116 176.600 -0.023 0.000 0.991 189 E CA 0.436 56.806 56.400 -0.049 0.000 0.810 189 E CB -0.808 28.858 29.700 -0.056 0.000 0.742 189 E HN 0.351 nan 8.360 nan 0.000 0.466 190 L N 0.615 121.825 121.223 -0.023 0.000 2.131 190 L HA -0.086 4.254 4.340 0.000 0.000 0.210 190 L C 2.515 179.411 176.870 0.043 0.000 1.092 190 L CA 1.132 55.990 54.840 0.029 0.000 0.759 190 L CB -0.367 41.742 42.059 0.082 0.000 0.903 190 L HN 0.166 nan 8.230 nan 0.000 0.435 191 A N -1.576 121.260 122.820 0.026 0.000 2.169 191 A HA 0.023 4.343 4.320 0.000 0.000 0.212 191 A C 0.991 178.585 177.584 0.015 0.000 1.153 191 A CA 0.478 52.534 52.037 0.031 0.000 0.756 191 A CB -0.235 18.782 19.000 0.028 0.000 0.813 191 A HN 0.247 nan 8.150 nan 0.000 0.471 192 T N 1.793 116.350 114.554 0.005 0.000 2.832 192 T HA 0.350 4.701 4.350 0.000 0.000 0.313 192 T C -1.980 172.723 174.700 0.005 0.000 1.035 192 T CA -1.029 61.071 62.100 0.001 0.000 0.950 192 T CB 1.367 70.230 68.868 -0.008 0.000 0.984 192 T HN 0.068 nan 8.240 nan 0.000 0.486 193 P HA -0.184 nan 4.420 nan 0.000 0.217 193 P C 1.669 178.973 177.300 0.007 0.000 1.151 193 P CA 1.051 64.157 63.100 0.010 0.000 0.849 193 P CB 0.098 31.803 31.700 0.009 0.000 0.787 194 S N -1.614 114.088 115.700 0.003 0.000 2.522 194 S HA -0.000 4.470 4.470 0.000 0.000 0.227 194 S C 0.954 175.554 174.600 -0.000 0.000 0.986 194 S CA 0.016 58.217 58.200 0.002 0.000 0.929 194 S CB -1.294 61.907 63.200 0.000 0.000 0.769 194 S HN 0.226 nan 8.310 nan 0.000 0.529 195 S N 1.652 117.351 115.700 -0.001 0.000 2.558 195 S HA 0.522 4.992 4.470 0.000 0.000 0.288 195 S C 0.157 174.756 174.600 -0.001 0.000 1.318 195 S CA -0.378 57.819 58.200 -0.005 0.000 1.056 195 S CB 0.494 63.688 63.200 -0.009 0.000 0.853 195 S HN 0.706 nan 8.310 nan 0.000 0.505 196 A N 3.930 126.749 122.820 -0.002 0.000 2.320 196 A HA 0.488 4.808 4.320 0.000 0.000 0.287 196 A C 1.538 179.124 177.584 0.004 0.000 1.181 196 A CA -1.010 51.028 52.037 0.001 0.000 0.831 196 A CB -0.217 18.783 19.000 0.000 0.000 1.102 196 A HN 0.863 nan 8.150 nan 0.000 0.513 197 I N 2.468 123.043 120.570 0.009 0.000 2.194 197 I HA -0.273 3.897 4.170 0.000 0.000 0.246 197 I C 1.888 178.013 176.117 0.013 0.000 1.093 197 I CA 1.459 62.767 61.300 0.013 0.000 1.355 197 I CB -1.989 36.021 38.000 0.016 0.000 1.046 197 I HN 0.674 nan 8.210 nan 0.000 0.413 198 L N 0.542 121.772 121.223 0.011 0.000 2.191 198 L HA -0.189 4.152 4.340 0.000 0.000 0.212 198 L C 2.322 179.199 176.870 0.011 0.000 1.103 198 L CA 1.336 56.183 54.840 0.012 0.000 0.769 198 L CB -0.699 41.366 42.059 0.010 0.000 0.908 198 L HN 0.276 nan 8.230 nan 0.000 0.438 199 D N 0.270 120.673 120.400 0.005 0.000 2.123 199 D HA -0.089 4.552 4.640 0.000 0.000 0.200 199 D C 2.322 178.622 176.300 -0.001 0.000 0.976 199 D CA 1.101 55.100 54.000 -0.000 0.000 0.831 199 D CB 0.125 40.920 40.800 -0.009 0.000 0.974 199 D HN 0.309 nan 8.370 nan 0.000 0.469 200 I N 1.346 121.916 120.570 0.001 0.000 2.142 200 I HA -0.214 3.957 4.170 0.000 0.000 0.240 200 I C 2.550 178.684 176.117 0.027 0.000 1.078 200 I CA 1.034 62.336 61.300 0.004 0.000 1.343 200 I CB -0.183 37.822 38.000 0.010 0.000 1.046 200 I HN -0.043 nan 8.210 nan 0.000 0.405 201 E N 1.631 121.849 120.200 0.030 0.000 2.110 201 E HA -0.271 4.080 4.350 0.000 0.000 0.193 201 E C 2.268 178.893 176.600 0.042 0.000 0.988 201 E CA 1.299 57.722 56.400 0.039 0.000 0.804 201 E CB -0.131 29.587 29.700 0.031 0.000 0.745 201 E HN 0.365 nan 8.360 nan 0.000 0.458 202 R N 0.615 121.135 120.500 0.035 0.000 2.083 202 R HA -0.144 4.196 4.340 0.000 0.000 0.237 202 R C 2.484 178.819 176.300 0.058 0.000 1.137 202 R CA 2.019 58.141 56.100 0.036 0.000 0.951 202 R CB -0.000 30.315 30.300 0.025 0.000 0.851 202 R HN 0.056 nan 8.270 nan 0.000 0.434 203 K N -0.064 120.379 120.400 0.072 0.000 2.057 203 K HA -0.119 4.201 4.320 0.000 0.000 0.207 203 K C 2.082 178.813 176.600 0.219 0.000 1.049 203 K CA 1.729 58.106 56.287 0.149 0.000 0.931 203 K CB -0.172 32.371 32.500 0.071 0.000 0.714 203 K HN 0.233 nan 8.250 nan 0.000 0.440 204 V N -1.096 118.918 119.914 0.166 0.000 2.358 204 V HA -0.183 3.937 4.120 0.000 0.000 0.246 204 V C 1.957 178.089 176.094 0.063 0.000 1.047 204 V CA 2.000 64.378 62.300 0.131 0.000 1.035 204 V CB -1.055 30.831 31.823 0.105 0.000 0.658 204 V HN 0.144 nan 8.190 nan 0.000 0.452 205 T N 0.701 115.287 114.554 0.054 0.000 2.746 205 T HA -0.148 4.202 4.350 0.000 0.000 0.267 205 T C 1.944 176.656 174.700 0.020 0.000 1.039 205 T CA 2.348 64.467 62.100 0.032 0.000 1.142 205 T CB -0.585 68.301 68.868 0.029 0.000 0.866 205 T HN 0.682 nan 8.240 nan 0.000 0.444 206 T N 2.245 116.818 114.554 0.031 0.000 2.777 206 T HA -0.003 4.347 4.350 0.000 0.000 0.266 206 T C 1.868 176.557 174.700 -0.019 0.000 1.040 206 T CA 0.753 62.864 62.100 0.018 0.000 1.141 206 T CB -0.393 68.501 68.868 0.044 0.000 0.868 206 T HN 0.147 nan 8.240 nan 0.000 0.444 207 L N 1.228 122.420 121.223 -0.052 0.000 2.093 207 L HA -0.025 4.316 4.340 0.000 0.000 0.208 207 L C 2.354 179.165 176.870 -0.098 0.000 1.085 207 L CA 1.754 56.501 54.840 -0.155 0.000 0.755 207 L CB -1.178 40.678 42.059 -0.338 0.000 0.904 207 L HN 0.147 nan 8.230 nan 0.000 0.435 208 T N -0.432 114.092 114.554 -0.050 0.000 2.788 208 T HA -0.135 4.215 4.350 0.000 0.000 0.268 208 T C 1.889 176.569 174.700 -0.034 0.000 1.044 208 T CA 1.551 63.630 62.100 -0.035 0.000 1.139 208 T CB -0.169 68.694 68.868 -0.009 0.000 0.867 208 T HN 0.375 nan 8.240 nan 0.000 0.454 209 R N 0.874 121.357 120.500 -0.027 0.000 2.312 209 R HA 0.132 4.473 4.340 0.000 0.000 0.205 209 R C 2.737 179.020 176.300 -0.029 0.000 0.904 209 R CA 0.587 56.673 56.100 -0.022 0.000 1.052 209 R CB -0.002 30.291 30.300 -0.012 0.000 1.014 209 R HN 0.442 nan 8.270 nan 0.000 0.503 210 S N -0.212 115.463 115.700 -0.042 0.000 2.370 210 S HA -0.092 4.378 4.470 0.000 0.000 0.226 210 S C 1.631 176.206 174.600 -0.042 0.000 1.033 210 S CA 1.396 59.571 58.200 -0.043 0.000 1.011 210 S CB -0.121 63.041 63.200 -0.062 0.000 0.852 210 S HN 0.454 nan 8.310 nan 0.000 0.457 211 G N 0.370 109.138 108.800 -0.053 0.000 2.184 211 G HA2 -0.182 3.778 3.960 0.000 0.000 0.206 211 G HA3 -0.182 3.778 3.960 0.000 0.000 0.206 211 G C 0.525 175.386 174.900 -0.065 0.000 0.995 211 G CA 0.299 45.370 45.100 -0.049 0.000 0.651 211 G HN 0.543 nan 8.290 nan 0.000 0.511 212 E N -0.683 119.465 120.200 -0.086 0.000 2.299 212 E HA 0.185 4.536 4.350 0.000 0.000 0.193 212 E C 0.793 177.278 176.600 -0.191 0.000 0.998 212 E CA -0.122 56.215 56.400 -0.106 0.000 0.851 212 E CB 0.309 29.952 29.700 -0.095 0.000 0.795 212 E HN 0.354 nan 8.360 nan 0.000 0.492 213 L N 2.961 124.057 121.223 -0.212 0.000 2.453 213 L HA 0.057 4.397 4.340 0.000 0.000 0.272 213 L C -2.026 174.727 176.870 -0.194 0.000 1.182 213 L CA -1.498 53.169 54.840 -0.289 0.000 0.858 213 L CB 0.114 42.069 42.059 -0.174 0.000 1.120 213 L HN -0.093 nan 8.230 nan 0.000 0.474 214 P HA 0.063 nan 4.420 nan 0.000 0.274 214 P C -0.168 177.110 177.300 -0.037 0.000 1.291 214 P CA -0.060 62.987 63.100 -0.088 0.000 0.815 214 P CB 0.669 32.341 31.700 -0.047 0.000 0.897 215 V N -0.033 119.865 119.914 -0.026 0.000 2.909 215 V HA 0.191 4.311 4.120 0.000 0.000 0.362 215 V C 0.967 177.052 176.094 -0.015 0.000 1.356 215 V CA -0.152 62.156 62.300 0.012 0.000 1.195 215 V CB -0.040 31.799 31.823 0.027 0.000 1.256 215 V HN 0.192 nan 8.190 nan 0.000 0.567 216 D N 1.669 122.036 120.400 -0.056 0.000 2.104 216 D HA -0.176 4.464 4.640 0.000 0.000 0.194 216 D C 1.531 177.745 176.300 -0.144 0.000 0.994 216 D CA 1.883 55.834 54.000 -0.083 0.000 0.830 216 D CB 0.167 40.914 40.800 -0.088 0.000 0.959 216 D HN 0.559 nan 8.370 nan 0.000 0.452 217 N N 0.191 118.728 118.700 -0.272 0.000 2.135 217 N HA -0.086 4.655 4.740 0.000 0.000 0.186 217 N C 1.712 176.935 175.510 -0.478 0.000 1.027 217 N CA 0.751 53.453 53.050 -0.580 0.000 0.849 217 N CB -0.347 37.479 38.487 -1.103 0.000 1.002 217 N HN 0.162 nan 8.380 nan 0.000 0.425 218 F N 0.057 119.952 119.950 -0.091 0.000 2.664 218 F HA 0.237 4.764 4.527 0.000 0.000 0.296 218 F C 2.052 177.863 175.800 0.019 0.000 1.125 218 F CA 0.512 58.530 58.000 0.031 0.000 1.444 218 F CB -0.152 38.883 39.000 0.059 0.000 1.114 218 F HN 0.172 nan 8.300 nan 0.000 0.576 219 G N 0.051 108.931 108.800 0.133 0.000 2.454 219 G HA2 -0.261 3.699 3.960 0.000 0.000 0.225 219 G HA3 -0.261 3.699 3.960 0.000 0.000 0.225 219 G C 0.247 175.187 174.900 0.066 0.000 1.138 219 G CA 0.271 45.417 45.100 0.076 0.000 0.667 219 G HN 0.639 nan 8.290 nan 0.000 0.512 220 V N -3.000 116.973 119.914 0.099 0.000 3.167 220 V HA 0.896 5.016 4.120 0.000 0.000 0.310 220 V C -2.756 173.376 176.094 0.064 0.000 1.207 220 V CA -2.308 60.025 62.300 0.055 0.000 1.059 220 V CB 1.565 33.408 31.823 0.033 0.000 1.079 220 V HN 0.134 nan 8.190 nan 0.000 0.446 221 P HA 0.308 nan 4.420 nan 0.000 0.269 221 P C -0.065 177.220 177.300 -0.024 0.000 1.209 221 P CA 0.038 63.146 63.100 0.014 0.000 0.776 221 P CB 0.922 32.620 31.700 -0.004 0.000 0.876 222 L N 3.054 124.252 121.223 -0.041 0.000 2.600 222 L HA 0.440 4.780 4.340 0.000 0.000 0.213 222 L C 0.625 177.460 176.870 -0.058 0.000 1.045 222 L CA 0.658 55.416 54.840 -0.137 0.000 0.863 222 L CB -0.837 41.017 42.059 -0.342 0.000 1.189 222 L HN 0.292 nan 8.230 nan 0.000 0.484 223 A N 0.064 122.884 122.820 -0.000 0.000 2.522 223 A HA 0.442 4.762 4.320 0.000 0.000 0.256 223 A C 1.399 178.998 177.584 0.025 0.000 1.086 223 A CA 0.531 52.585 52.037 0.029 0.000 0.763 223 A CB -1.147 17.890 19.000 0.062 0.000 1.024 223 A HN 1.221 nan 8.150 nan 0.000 0.502 224 G N 1.114 109.930 108.800 0.027 0.000 2.179 224 G HA2 -0.172 3.788 3.960 0.000 0.000 0.260 224 G HA3 -0.172 3.788 3.960 0.000 0.000 0.260 224 G C 0.514 175.422 174.900 0.015 0.000 0.977 224 G CA 0.898 46.015 45.100 0.029 0.000 0.641 224 G HN 1.665 nan 8.290 nan 0.000 0.533 225 S N -1.434 114.264 115.700 -0.003 0.000 2.998 225 S HA 0.959 5.429 4.470 0.000 0.000 0.323 225 S C -1.186 173.393 174.600 -0.035 0.000 1.141 225 S CA 0.254 58.445 58.200 -0.015 0.000 0.873 225 S CB 1.253 64.440 63.200 -0.021 0.000 1.315 225 S HN 1.699 nan 8.310 nan 0.000 0.637 226 L N -0.668 120.527 121.223 -0.047 0.000 2.710 226 L HA 0.713 5.053 4.340 0.000 0.000 0.260 226 L C -1.663 175.171 176.870 -0.060 0.000 0.993 226 L CA -0.670 54.129 54.840 -0.068 0.000 0.877 226 L CB 1.165 43.190 42.059 -0.056 0.000 1.461 226 L HN 0.572 nan 8.230 nan 0.000 0.413 227 I N 1.614 122.144 120.570 -0.067 0.000 2.493 227 I HA 0.374 4.545 4.170 0.000 0.000 0.279 227 I C -2.019 174.110 176.117 0.020 0.000 1.045 227 I CA -1.175 60.119 61.300 -0.009 0.000 1.106 227 I CB 2.257 40.255 38.000 -0.004 0.000 1.216 227 I HN 0.541 nan 8.210 nan 0.000 0.459 228 P HA -0.050 nan 4.420 nan 0.000 0.269 228 P C -0.756 176.600 177.300 0.093 0.000 1.601 228 P CA 0.495 63.607 63.100 0.019 0.000 0.831 228 P CB -0.197 31.509 31.700 0.010 0.000 1.688 229 W N 1.500 122.787 121.300 -0.021 0.000 3.423 229 W HA 0.273 4.933 4.660 -0.000 0.000 0.330 229 W C -2.114 174.418 176.519 0.021 0.000 1.102 229 W CA -0.859 56.487 57.345 0.001 0.000 1.261 229 W CB 1.327 30.792 29.460 0.009 0.000 1.283 229 W HN -0.296 nan 8.180 nan 0.000 0.447 230 I N 7.129 127.783 120.570 0.139 0.000 2.389 230 I HA 0.217 4.387 4.170 0.000 0.000 0.288 230 I C 0.578 176.842 176.117 0.246 0.000 0.999 230 I CA -0.690 60.723 61.300 0.189 0.000 1.129 230 I CB 0.635 38.672 38.000 0.062 0.000 1.288 230 I HN 0.522 nan 8.210 nan 0.000 0.444 231 D N 5.607 126.186 120.400 0.298 0.000 4.837 231 D HA -0.264 4.377 4.640 0.000 0.000 0.312 231 D C -0.269 176.230 176.300 0.331 0.000 2.492 231 D CA 0.382 54.532 54.000 0.250 0.000 1.081 231 D CB 0.145 41.038 40.800 0.155 0.000 1.164 231 D HN 0.352 nan 8.370 nan 0.000 1.327 232 K N 0.570 121.094 120.400 0.207 0.000 2.539 232 K HA -0.177 4.143 4.320 0.000 0.000 0.271 232 K C 0.485 177.269 176.600 0.307 0.000 1.004 232 K CA 0.614 57.016 56.287 0.190 0.000 1.117 232 K CB -0.304 32.243 32.500 0.079 0.000 0.815 232 K HN 0.523 nan 8.250 nan 0.000 0.481 233 Q N 3.347 123.335 119.800 0.313 0.000 2.304 233 Q HA 0.127 4.468 4.340 0.000 0.000 0.260 233 Q C -0.611 175.513 176.000 0.206 0.000 0.965 233 Q CA -0.515 55.551 55.803 0.438 0.000 0.898 233 Q CB 0.600 29.490 28.738 0.254 0.000 1.196 233 Q HN 0.219 nan 8.270 nan 0.000 0.402 234 L N 3.144 124.477 121.223 0.183 0.000 2.332 234 L HA 0.214 4.555 4.340 0.000 0.000 0.269 234 L C 1.000 177.918 176.870 0.080 0.000 1.016 234 L CA -0.149 54.730 54.840 0.065 0.000 0.809 234 L CB 1.009 43.072 42.059 0.007 0.000 1.280 234 L HN 0.812 nan 8.230 nan 0.000 0.447 235 D N 0.470 120.894 120.400 0.039 0.000 2.182 235 D HA -0.177 4.463 4.640 0.000 0.000 0.201 235 D C 1.339 177.673 176.300 0.057 0.000 0.986 235 D CA 1.498 55.524 54.000 0.043 0.000 0.847 235 D CB 0.222 41.035 40.800 0.023 0.000 0.942 235 D HN 0.709 nan 8.370 nan 0.000 0.467 236 N N -0.846 117.892 118.700 0.063 0.000 2.521 236 N HA 0.001 4.741 4.740 0.000 0.000 0.188 236 N C 1.321 176.867 175.510 0.061 0.000 1.146 236 N CA 0.723 53.812 53.050 0.064 0.000 0.893 236 N CB 0.415 38.951 38.487 0.082 0.000 0.975 236 N HN 0.102 nan 8.380 nan 0.000 0.451 237 G N -0.107 108.743 108.800 0.083 0.000 2.175 237 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 237 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 237 G C -0.130 174.777 174.900 0.011 0.000 0.982 237 G CA -0.162 44.992 45.100 0.091 0.000 0.641 237 G HN 0.449 nan 8.290 nan 0.000 0.527 238 Q N 0.609 120.413 119.800 0.006 0.000 2.256 238 Q HA 0.589 4.930 4.340 0.000 0.000 0.232 238 Q C 0.757 176.697 176.000 -0.100 0.000 0.965 238 Q CA 0.216 55.972 55.803 -0.078 0.000 0.908 238 Q CB 1.221 29.989 28.738 0.050 0.000 1.209 238 Q HN 0.602 nan 8.270 nan 0.000 0.489 239 S N -0.278 115.266 115.700 -0.259 0.000 2.687 239 S HA 0.287 4.758 4.470 0.000 0.000 0.283 239 S C 0.625 175.243 174.600 0.030 0.000 1.170 239 S CA -0.775 57.330 58.200 -0.160 0.000 1.008 239 S CB 1.672 64.558 63.200 -0.524 0.000 1.026 239 S HN 0.765 nan 8.310 nan 0.000 0.541 240 R N 0.281 120.841 120.500 0.100 0.000 2.159 240 R HA -0.087 4.253 4.340 0.000 0.000 0.237 240 R C 1.686 178.097 176.300 0.186 0.000 1.131 240 R CA 1.351 57.524 56.100 0.121 0.000 0.982 240 R CB -0.199 30.138 30.300 0.062 0.000 0.868 240 R HN 0.731 nan 8.270 nan 0.000 0.453 241 E N 0.568 120.828 120.200 0.100 0.000 2.072 241 E HA -0.195 4.155 4.350 0.000 0.000 0.191 241 E C 1.736 178.371 176.600 0.058 0.000 0.985 241 E CA 1.378 57.822 56.400 0.074 0.000 0.801 241 E CB 0.027 29.737 29.700 0.015 0.000 0.750 241 E HN 0.497 nan 8.360 nan 0.000 0.452 242 E N -0.398 119.810 120.200 0.014 0.000 2.152 242 E HA -0.159 4.191 4.350 0.000 0.000 0.192 242 E C 1.721 178.356 176.600 0.058 0.000 0.983 242 E CA 0.690 57.085 56.400 -0.008 0.000 0.818 242 E CB -0.236 29.413 29.700 -0.084 0.000 0.758 242 E HN 0.282 nan 8.360 nan 0.000 0.467 243 W N 2.074 123.345 121.300 -0.049 0.000 2.363 243 W HA -0.160 4.500 4.660 0.000 0.000 0.296 243 W C 1.586 178.100 176.519 -0.009 0.000 1.212 243 W CA 1.394 58.725 57.345 -0.024 0.000 1.260 243 W CB 0.151 29.604 29.460 -0.012 0.000 1.131 243 W HN -0.147 nan 8.180 nan 0.000 0.530 244 K N -0.159 120.337 120.400 0.160 0.000 2.147 244 K HA -0.115 4.206 4.320 0.000 0.000 0.205 244 K C 2.345 178.850 176.600 -0.159 0.000 1.049 244 K CA 1.260 57.540 56.287 -0.012 0.000 0.936 244 K CB -0.920 31.672 32.500 0.152 0.000 0.722 244 K HN 0.340 nan 8.250 nan 0.000 0.446 245 G N 1.465 110.206 108.800 -0.100 0.000 2.553 245 G HA2 -0.371 3.590 3.960 0.000 0.000 0.218 245 G HA3 -0.371 3.590 3.960 0.000 0.000 0.218 245 G C 1.424 176.237 174.900 -0.145 0.000 1.195 245 G CA 1.146 46.196 45.100 -0.084 0.000 0.779 245 G HN 0.366 nan 8.290 nan 0.000 0.577 246 Q N -0.132 119.536 119.800 -0.220 0.000 2.049 246 Q HA 0.124 4.465 4.340 0.000 0.000 0.198 246 Q C 2.915 178.735 176.000 -0.300 0.000 0.971 246 Q CA 1.322 56.990 55.803 -0.224 0.000 0.833 246 Q CB -0.286 28.317 28.738 -0.226 0.000 0.896 246 Q HN 0.415 nan 8.270 nan 0.000 0.434 247 A N 1.002 123.503 122.820 -0.531 0.000 1.865 247 A HA -0.246 4.074 4.320 0.000 0.000 0.217 247 A C 1.823 179.239 177.584 -0.279 0.000 1.191 247 A CA 1.849 53.570 52.037 -0.527 0.000 0.623 247 A CB -0.601 17.752 19.000 -1.078 0.000 0.826 247 A HN 0.514 nan 8.150 nan 0.000 0.444 248 E N -1.169 118.891 120.200 -0.234 0.000 2.107 248 E HA -0.089 4.261 4.350 0.000 0.000 0.191 248 E C 2.112 178.638 176.600 -0.123 0.000 0.982 248 E CA 1.331 57.658 56.400 -0.121 0.000 0.809 248 E CB -0.261 29.399 29.700 -0.066 0.000 0.756 248 E HN 0.591 nan 8.360 nan 0.000 0.459 249 T N 1.516 115.978 114.554 -0.152 0.000 2.708 249 T HA -0.117 4.233 4.350 0.000 0.000 0.266 249 T C 1.623 176.224 174.700 -0.164 0.000 1.037 249 T CA 1.045 63.029 62.100 -0.194 0.000 1.146 249 T CB -0.193 68.552 68.868 -0.205 0.000 0.865 249 T HN 0.136 nan 8.240 nan 0.000 0.435 250 N N 0.722 119.350 118.700 -0.121 0.000 2.244 250 N HA -0.055 4.685 4.740 0.000 0.000 0.183 250 N C 1.905 177.377 175.510 -0.063 0.000 1.016 250 N CA 0.863 53.866 53.050 -0.078 0.000 0.866 250 N CB -0.101 38.346 38.487 -0.067 0.000 0.980 250 N HN 0.434 nan 8.380 nan 0.000 0.430 251 K N 1.128 121.486 120.400 -0.070 0.000 2.116 251 K HA 0.070 4.390 4.320 0.000 0.000 0.203 251 K C 2.073 178.654 176.600 -0.030 0.000 1.052 251 K CA 0.432 56.695 56.287 -0.040 0.000 0.952 251 K CB 0.072 32.554 32.500 -0.031 0.000 0.729 251 K HN 0.005 nan 8.250 nan 0.000 0.446 252 I N 1.201 121.740 120.570 -0.050 0.000 2.142 252 I HA -0.281 3.889 4.170 0.000 0.000 0.240 252 I C 1.942 178.034 176.117 -0.042 0.000 1.078 252 I CA 1.217 62.491 61.300 -0.042 0.000 1.343 252 I CB -0.108 37.846 38.000 -0.076 0.000 1.046 252 I HN 0.174 nan 8.210 nan 0.000 0.405 253 L N 0.263 121.442 121.223 -0.073 0.000 2.465 253 L HA -0.063 4.277 4.340 0.000 0.000 0.224 253 L C 0.617 177.481 176.870 -0.009 0.000 1.145 253 L CA 0.241 55.053 54.840 -0.047 0.000 0.834 253 L CB -0.726 41.291 42.059 -0.070 0.000 0.944 253 L HN 0.441 nan 8.230 nan 0.000 0.451 254 N N 0.941 119.634 118.700 -0.011 0.000 2.714 254 N HA -0.159 4.582 4.740 0.000 0.000 0.253 254 N C 0.262 175.777 175.510 0.008 0.000 1.024 254 N CA 0.822 53.873 53.050 0.002 0.000 0.726 254 N CB -0.955 37.541 38.487 0.014 0.000 0.908 254 N HN 0.497 nan 8.380 nan 0.000 0.542 255 T N -3.392 111.165 114.554 0.005 0.000 2.802 255 T HA 0.394 4.744 4.350 0.000 0.000 0.305 255 T C 1.527 176.234 174.700 0.013 0.000 1.053 255 T CA 0.083 62.193 62.100 0.017 0.000 1.058 255 T CB 1.230 70.112 68.868 0.023 0.000 0.988 255 T HN 0.393 nan 8.240 nan 0.000 0.539 256 S N 0.312 116.021 115.700 0.016 0.000 2.510 256 S HA 0.195 4.665 4.470 0.000 0.000 0.230 256 S C 0.843 175.451 174.600 0.013 0.000 1.066 256 S CA -0.460 57.748 58.200 0.013 0.000 0.941 256 S CB -0.139 63.069 63.200 0.013 0.000 0.829 256 S HN 0.633 nan 8.310 nan 0.000 0.530 257 S N 2.176 117.886 115.700 0.016 0.000 2.480 257 S HA 0.554 5.024 4.470 0.000 0.000 0.286 257 S C -0.293 174.319 174.600 0.021 0.000 1.180 257 S CA -0.665 57.545 58.200 0.018 0.000 1.075 257 S CB 1.607 64.818 63.200 0.019 0.000 0.996 257 S HN 0.309 nan 8.310 nan 0.000 0.487 258 V N 4.813 124.737 119.914 0.016 0.000 2.529 258 V HA 0.063 4.183 4.120 0.000 0.000 0.292 258 V C 0.184 176.299 176.094 0.034 0.000 1.028 258 V CA 0.046 62.354 62.300 0.014 0.000 1.074 258 V CB -0.064 31.759 31.823 -0.000 0.000 0.958 258 V HN 0.665 nan 8.190 nan 0.000 0.481 259 I N 7.717 128.317 120.570 0.050 0.000 2.304 259 I HA 0.330 4.500 4.170 0.000 0.000 0.291 259 I C -2.255 173.916 176.117 0.090 0.000 1.018 259 I CA -2.718 58.639 61.300 0.094 0.000 1.260 259 I CB 1.281 39.374 38.000 0.155 0.000 1.390 259 I HN 0.408 nan 8.210 nan 0.000 0.475 260 P HA 0.124 nan 4.420 nan 0.000 0.267 260 P C -0.711 176.661 177.300 0.121 0.000 1.209 260 P CA 0.129 63.272 63.100 0.072 0.000 0.763 260 P CB 0.650 32.379 31.700 0.048 0.000 0.816 261 V N 4.371 124.319 119.914 0.057 0.000 2.569 261 V HA 0.542 4.662 4.120 0.000 0.000 0.301 261 V C -0.363 175.743 176.094 0.021 0.000 1.044 261 V CA -0.223 62.129 62.300 0.087 0.000 0.874 261 V CB 2.153 34.017 31.823 0.067 0.000 1.002 261 V HN 0.481 nan 8.190 nan 0.000 0.424 262 D N 1.626 122.050 120.400 0.040 0.000 2.665 262 D HA 0.820 5.460 4.640 0.000 0.000 0.287 262 D C -0.047 176.255 176.300 0.004 0.000 1.266 262 D CA 0.807 54.801 54.000 -0.011 0.000 0.830 262 D CB 2.628 43.395 40.800 -0.055 0.000 1.356 262 D HN 0.894 nan 8.370 nan 0.000 0.437 263 G N -0.608 108.171 108.800 -0.036 0.000 2.368 263 G HA2 0.306 4.266 3.960 0.000 0.000 0.269 263 G HA3 0.306 4.266 3.960 0.000 0.000 0.269 263 G C -1.919 172.926 174.900 -0.093 0.000 1.291 263 G CA -0.653 44.419 45.100 -0.047 0.000 0.903 263 G HN 0.445 nan 8.290 nan 0.000 0.483 264 L N -0.056 121.099 121.223 -0.112 0.000 2.356 264 L HA 0.547 4.887 4.340 0.000 0.000 0.277 264 L C -0.521 176.247 176.870 -0.171 0.000 0.996 264 L CA -0.814 53.933 54.840 -0.155 0.000 0.822 264 L CB 2.130 44.101 42.059 -0.145 0.000 1.256 264 L HN 0.574 nan 8.230 nan 0.000 0.413 265 C N 3.638 122.827 119.300 -0.185 0.000 2.239 265 C HA 0.561 5.021 4.460 0.000 0.000 0.325 265 C C 0.416 175.307 174.990 -0.165 0.000 1.231 265 C CA -0.682 58.234 59.018 -0.170 0.000 1.652 265 C CB 0.477 28.133 27.740 -0.140 0.000 2.284 265 C HN 0.459 nan 8.230 nan 0.000 0.499 266 V N 4.455 124.259 119.914 -0.183 0.000 2.459 266 V HA 0.479 4.599 4.120 0.000 0.000 0.295 266 V C 0.124 176.136 176.094 -0.136 0.000 1.029 266 V CA -0.684 61.519 62.300 -0.162 0.000 0.874 266 V CB 1.641 33.324 31.823 -0.233 0.000 0.985 266 V HN 0.784 nan 8.190 nan 0.000 0.438 267 R N 3.264 123.707 120.500 -0.094 0.000 2.308 267 R HA 0.653 4.993 4.340 0.000 0.000 0.305 267 R C -0.538 175.694 176.300 -0.114 0.000 1.053 267 R CA -0.196 55.847 56.100 -0.095 0.000 0.957 267 R CB 1.243 31.479 30.300 -0.107 0.000 1.022 267 R HN 0.734 nan 8.270 nan 0.000 0.461 268 V N 0.953 120.829 119.914 -0.063 0.000 3.158 268 V HA 0.718 4.838 4.120 0.000 0.000 0.315 268 V C 0.475 176.558 176.094 -0.019 0.000 1.148 268 V CA -0.713 61.573 62.300 -0.023 0.000 1.042 268 V CB 1.831 33.703 31.823 0.081 0.000 1.101 268 V HN 0.771 nan 8.190 nan 0.000 0.448 269 G N 0.373 109.176 108.800 0.006 0.000 3.401 269 G HA2 0.587 4.547 3.960 0.000 0.000 0.251 269 G HA3 0.587 4.547 3.960 0.000 0.000 0.251 269 G C 0.073 175.013 174.900 0.065 0.000 0.960 269 G CA 0.473 45.587 45.100 0.022 0.000 1.900 269 G HN 1.435 nan 8.290 nan 0.000 0.645 270 A N 0.268 123.141 122.820 0.088 0.000 2.350 270 A HA 0.771 5.091 4.320 0.000 0.000 0.318 270 A C 0.857 178.511 177.584 0.117 0.000 1.132 270 A CA -0.710 51.389 52.037 0.104 0.000 0.811 270 A CB 1.272 20.347 19.000 0.125 0.000 1.313 270 A HN 0.239 nan 8.150 nan 0.000 0.454 271 L N -0.566 120.717 121.223 0.101 0.000 2.130 271 L HA 0.137 4.477 4.340 0.000 0.000 0.200 271 L C 2.359 179.282 176.870 0.088 0.000 1.075 271 L CA 1.049 55.949 54.840 0.100 0.000 0.768 271 L CB -0.075 42.029 42.059 0.076 0.000 0.933 271 L HN 0.853 nan 8.230 nan 0.000 0.451 272 R N -2.587 117.948 120.500 0.059 0.000 2.513 272 R HA 0.215 4.555 4.340 0.000 0.000 0.245 272 R C 0.035 176.315 176.300 -0.033 0.000 0.908 272 R CA -0.268 55.837 56.100 0.008 0.000 1.023 272 R CB 0.817 31.115 30.300 -0.004 0.000 1.338 272 R HN 0.198 nan 8.270 nan 0.000 0.575 273 C N 2.121 121.444 119.300 0.037 0.000 2.369 273 C HA 0.367 4.827 4.460 0.000 0.000 0.358 273 C C -0.209 174.893 174.990 0.187 0.000 1.274 273 C CA -0.608 58.443 59.018 0.056 0.000 1.935 273 C CB 0.001 27.785 27.740 0.073 0.000 2.431 273 C HN 0.319 nan 8.230 nan 0.000 0.545 274 H N 1.481 120.581 119.070 0.050 0.000 2.488 274 H HA 0.467 5.023 4.556 0.001 0.000 0.322 274 H C -0.119 175.204 175.328 -0.008 0.000 1.078 274 H CA 0.010 56.083 56.048 0.042 0.000 1.260 274 H CB 1.276 31.062 29.762 0.040 0.000 1.425 274 H HN 0.587 nan 8.280 nan 0.000 0.471 275 S N 3.215 118.957 115.700 0.070 0.000 2.503 275 S HA 0.495 4.965 4.470 0.000 0.000 0.301 275 S C -0.378 174.042 174.600 -0.301 0.000 1.087 275 S CA -0.944 57.122 58.200 -0.223 0.000 1.042 275 S CB 1.825 64.874 63.200 -0.252 0.000 1.043 275 S HN 0.509 nan 8.310 nan 0.000 0.489 276 Q N 0.993 120.406 119.800 -0.645 0.000 2.323 276 Q HA 0.666 5.006 4.340 0.000 0.000 0.271 276 Q C -1.204 174.262 176.000 -0.891 0.000 1.048 276 Q CA -0.814 54.619 55.803 -0.616 0.000 0.792 276 Q CB 2.314 30.713 28.738 -0.566 0.000 1.280 276 Q HN 0.745 nan 8.270 nan 0.000 0.441 277 A N 2.718 125.257 122.820 -0.467 0.000 2.276 277 A HA 0.757 5.078 4.320 0.000 0.000 0.316 277 A C -1.215 176.162 177.584 -0.345 0.000 1.229 277 A CA -0.247 51.752 52.037 -0.062 0.000 0.851 277 A CB 0.179 19.396 19.000 0.362 0.000 1.165 277 A HN 0.564 nan 8.150 nan 0.000 0.513 278 F N 0.521 120.571 119.950 0.166 0.000 2.546 278 F HA 0.571 5.099 4.527 0.000 0.000 0.320 278 F C 0.556 176.442 175.800 0.142 0.000 1.076 278 F CA -0.321 57.759 58.000 0.133 0.000 0.928 278 F CB 2.798 41.851 39.000 0.088 0.000 1.189 278 F HN 0.378 nan 8.300 nan 0.000 0.465 279 T N 4.244 119.021 114.554 0.372 0.000 2.991 279 T HA 0.546 4.897 4.350 0.000 0.000 0.347 279 T C -0.412 174.415 174.700 0.212 0.000 1.122 279 T CA -0.297 61.983 62.100 0.300 0.000 1.062 279 T CB -0.001 69.092 68.868 0.375 0.000 1.043 279 T HN 0.275 nan 8.240 nan 0.000 0.491 280 I N 2.765 123.338 120.570 0.004 0.000 2.336 280 I HA 0.414 4.584 4.170 0.000 0.000 0.292 280 I C 0.425 176.178 176.117 -0.607 0.000 0.991 280 I CA -0.946 60.200 61.300 -0.256 0.000 1.227 280 I CB 1.164 39.030 38.000 -0.223 0.000 1.366 280 I HN 0.064 nan 8.210 nan 0.000 0.466 281 K N 7.754 127.488 120.400 -1.110 0.000 2.264 281 K HA 0.451 4.771 4.320 0.000 0.000 0.277 281 K C -0.743 175.360 176.600 -0.828 0.000 1.067 281 K CA -0.432 55.035 56.287 -1.366 0.000 0.900 281 K CB 0.564 31.625 32.500 -2.398 0.000 1.124 281 K HN 0.579 nan 8.250 nan 0.000 0.469 282 L N 3.920 124.779 121.223 -0.606 0.000 2.418 282 L HA 0.229 4.569 4.340 0.000 0.000 0.265 282 L C 1.653 178.316 176.870 -0.346 0.000 1.143 282 L CA -0.237 54.360 54.840 -0.405 0.000 0.809 282 L CB 0.655 42.537 42.059 -0.295 0.000 1.124 282 L HN 0.461 nan 8.230 nan 0.000 0.456 283 K N 0.850 121.099 120.400 -0.251 0.000 2.305 283 K HA 0.080 4.401 4.320 0.000 0.000 0.199 283 K C -0.071 176.445 176.600 -0.140 0.000 1.047 283 K CA 0.892 57.069 56.287 -0.182 0.000 0.976 283 K CB 0.238 32.656 32.500 -0.138 0.000 0.765 283 K HN 0.473 nan 8.250 nan 0.000 0.474 284 K N 0.426 120.744 120.400 -0.138 0.000 2.536 284 K HA 0.090 4.411 4.320 0.000 0.000 0.269 284 K C -1.495 175.045 176.600 -0.099 0.000 0.965 284 K CA -0.782 55.446 56.287 -0.099 0.000 0.860 284 K CB 1.872 34.326 32.500 -0.076 0.000 1.423 284 K HN -0.179 nan 8.250 nan 0.000 0.438 285 D N 2.558 122.916 120.400 -0.070 0.000 2.385 285 D HA 0.071 4.711 4.640 0.000 0.000 0.260 285 D C -0.838 175.430 176.300 -0.054 0.000 1.326 285 D CA 0.146 54.112 54.000 -0.057 0.000 1.023 285 D CB 0.159 40.940 40.800 -0.032 0.000 1.083 285 D HN 0.119 nan 8.370 nan 0.000 0.517 286 V N 3.202 123.076 119.914 -0.067 0.000 2.539 286 V HA 0.228 4.348 4.120 0.000 0.000 0.292 286 V C 0.773 176.839 176.094 -0.046 0.000 1.045 286 V CA -0.884 61.381 62.300 -0.059 0.000 0.945 286 V CB 1.614 33.392 31.823 -0.075 0.000 0.993 286 V HN 0.636 nan 8.190 nan 0.000 0.464 287 S N 4.166 119.845 115.700 -0.035 0.000 2.585 287 S HA 0.329 4.799 4.470 0.000 0.000 0.273 287 S C 1.063 175.647 174.600 -0.027 0.000 1.339 287 S CA -0.402 57.782 58.200 -0.026 0.000 1.028 287 S CB 0.548 63.735 63.200 -0.021 0.000 0.906 287 S HN 0.507 nan 8.310 nan 0.000 0.528 288 I N 2.012 122.570 120.570 -0.020 0.000 2.208 288 I HA -0.073 4.097 4.170 0.000 0.000 0.245 288 I C -0.830 175.277 176.117 -0.016 0.000 1.097 288 I CA 1.004 62.294 61.300 -0.017 0.000 1.363 288 I CB -1.178 36.817 38.000 -0.007 0.000 1.051 288 I HN 0.544 nan 8.210 nan 0.000 0.413 289 P HA -0.135 nan 4.420 nan 0.000 0.215 289 P C 1.654 178.944 177.300 -0.018 0.000 1.153 289 P CA 1.580 64.672 63.100 -0.013 0.000 0.853 289 P CB -0.070 31.622 31.700 -0.012 0.000 0.788 290 T N -0.841 113.699 114.554 -0.022 0.000 2.746 290 T HA -0.104 4.246 4.350 0.000 0.000 0.267 290 T C 1.825 176.506 174.700 -0.031 0.000 1.039 290 T CA 1.228 63.313 62.100 -0.026 0.000 1.142 290 T CB -1.023 67.827 68.868 -0.031 0.000 0.866 290 T HN -0.122 nan 8.240 nan 0.000 0.444 291 V N 1.745 121.637 119.914 -0.036 0.000 2.295 291 V HA -0.193 3.928 4.120 0.000 0.000 0.246 291 V C 2.470 178.544 176.094 -0.032 0.000 1.049 291 V CA 1.747 64.021 62.300 -0.044 0.000 1.024 291 V CB -0.625 31.167 31.823 -0.051 0.000 0.648 291 V HN 0.584 nan 8.190 nan 0.000 0.447 292 E N -0.226 119.961 120.200 -0.021 0.000 2.153 292 E HA -0.247 4.103 4.350 0.000 0.000 0.194 292 E C 2.185 178.778 176.600 -0.012 0.000 0.988 292 E CA 1.365 57.758 56.400 -0.013 0.000 0.811 292 E CB -0.151 29.545 29.700 -0.007 0.000 0.746 292 E HN 0.698 nan 8.360 nan 0.000 0.466 293 E N 0.833 121.024 120.200 -0.015 0.000 2.047 293 E HA -0.153 4.198 4.350 0.000 0.000 0.191 293 E C 2.268 178.862 176.600 -0.010 0.000 0.987 293 E CA 0.764 57.156 56.400 -0.014 0.000 0.799 293 E CB -0.069 29.621 29.700 -0.016 0.000 0.752 293 E HN 0.220 nan 8.360 nan 0.000 0.449 294 L N 0.776 121.992 121.223 -0.012 0.000 2.012 294 L HA -0.226 4.114 4.340 0.000 0.000 0.210 294 L C 2.570 179.453 176.870 0.021 0.000 1.073 294 L CA 1.004 55.843 54.840 -0.001 0.000 0.748 294 L CB -0.557 41.492 42.059 -0.017 0.000 0.891 294 L HN 0.175 nan 8.230 nan 0.000 0.431 295 L N -0.115 121.109 121.223 0.002 0.000 1.989 295 L HA -0.235 4.106 4.340 0.000 0.000 0.211 295 L C 2.866 179.752 176.870 0.026 0.000 1.071 295 L CA 1.457 56.300 54.840 0.005 0.000 0.749 295 L CB -0.754 41.294 42.059 -0.019 0.000 0.890 295 L HN 0.270 nan 8.230 nan 0.000 0.431 296 A N -0.454 122.373 122.820 0.010 0.000 2.015 296 A HA -0.070 4.250 4.320 0.000 0.000 0.219 296 A C 2.411 179.995 177.584 -0.001 0.000 1.163 296 A CA 1.520 53.559 52.037 0.002 0.000 0.646 296 A CB -0.535 18.460 19.000 -0.009 0.000 0.806 296 A HN 0.436 nan 8.150 nan 0.000 0.448 297 A N -1.635 121.190 122.820 0.009 0.000 2.016 297 A HA -0.081 4.239 4.320 0.000 0.000 0.217 297 A C 2.022 179.607 177.584 0.001 0.000 1.162 297 A CA 1.286 53.319 52.037 -0.008 0.000 0.662 297 A CB -0.799 18.194 19.000 -0.012 0.000 0.812 297 A HN 0.686 nan 8.150 nan 0.000 0.450 298 H N 1.254 120.303 119.070 -0.034 0.000 2.319 298 H HA -0.119 4.438 4.556 0.000 0.000 0.299 298 H C -0.013 175.300 175.328 -0.025 0.000 1.092 298 H CA 1.851 57.884 56.048 -0.024 0.000 1.302 298 H CB 0.015 29.769 29.762 -0.013 0.000 1.373 298 H HN 0.726 nan 8.280 nan 0.000 0.497 299 N N -2.098 116.683 118.700 0.134 0.000 2.859 299 N HA 0.133 4.873 4.740 0.000 0.000 0.250 299 N C -2.484 172.956 175.510 -0.116 0.000 1.341 299 N CA -1.069 52.007 53.050 0.043 0.000 0.881 299 N CB 1.454 40.129 38.487 0.314 0.000 1.516 299 N HN -0.236 nan 8.380 nan 0.000 0.503 300 P HA -0.037 nan 4.420 nan 0.000 0.230 300 P C 0.089 177.103 177.300 -0.477 0.000 1.158 300 P CA 0.911 63.688 63.100 -0.539 0.000 0.769 300 P CB 0.106 31.332 31.700 -0.790 0.000 0.807 301 W N 0.565 121.873 121.300 0.012 0.000 2.640 301 W HA 0.299 4.960 4.660 0.000 0.000 0.268 301 W C 1.033 177.538 176.519 -0.023 0.000 1.263 301 W CA 0.056 57.411 57.345 0.016 0.000 1.344 301 W CB -0.660 28.780 29.460 -0.034 0.000 1.093 301 W HN -0.070 nan 8.180 nan 0.000 0.603 302 A N 2.303 125.199 122.820 0.127 0.000 2.906 302 A HA 0.134 4.454 4.320 0.000 0.000 0.289 302 A C 0.370 177.977 177.584 0.039 0.000 1.675 302 A CA 0.060 52.134 52.037 0.060 0.000 1.372 302 A CB -0.802 18.214 19.000 0.027 0.000 1.091 302 A HN 0.095 nan 8.150 nan 0.000 0.579 303 K N 2.591 123.023 120.400 0.054 0.000 2.349 303 K HA 0.344 4.664 4.320 0.000 0.000 0.289 303 K C -0.780 175.843 176.600 0.037 0.000 1.064 303 K CA -0.300 56.010 56.287 0.037 0.000 0.947 303 K CB 0.527 33.058 32.500 0.051 0.000 1.007 303 K HN 0.289 nan 8.250 nan 0.000 0.478 304 V N 5.760 125.688 119.914 0.024 0.000 2.427 304 V HA 0.064 4.185 4.120 0.000 0.000 0.268 304 V C -0.101 176.011 176.094 0.030 0.000 1.046 304 V CA -0.635 61.681 62.300 0.026 0.000 0.970 304 V CB 1.184 33.015 31.823 0.013 0.000 1.001 304 V HN 0.504 nan 8.190 nan 0.000 0.476 305 V N 8.793 128.732 119.914 0.042 0.000 2.385 305 V HA 0.246 4.367 4.120 0.000 0.000 0.269 305 V C -1.959 174.156 176.094 0.034 0.000 1.043 305 V CA -1.787 60.538 62.300 0.041 0.000 0.906 305 V CB 1.107 32.964 31.823 0.057 0.000 0.995 305 V HN 0.753 nan 8.190 nan 0.000 0.467 306 P HA -0.059 nan 4.420 nan 0.000 0.266 306 P C 0.305 177.616 177.300 0.019 0.000 1.186 306 P CA 0.298 63.408 63.100 0.017 0.000 0.767 306 P CB 0.269 31.976 31.700 0.012 0.000 0.820 307 N N 2.280 120.990 118.700 0.016 0.000 3.111 307 N HA -0.020 4.720 4.740 0.000 0.000 0.302 307 N C -0.851 174.663 175.510 0.006 0.000 1.317 307 N CA -0.121 52.937 53.050 0.014 0.000 1.151 307 N CB -0.278 38.218 38.487 0.016 0.000 1.456 307 N HN 0.321 nan 8.380 nan 0.000 0.547 308 D N 0.561 120.963 120.400 0.004 0.000 2.498 308 D HA 0.069 4.709 4.640 0.000 0.000 0.247 308 D C 0.894 177.191 176.300 -0.004 0.000 1.070 308 D CA -0.499 53.501 54.000 -0.000 0.000 0.842 308 D CB 2.168 42.969 40.800 0.001 0.000 1.361 308 D HN 0.227 nan 8.370 nan 0.000 0.484 309 R N 1.548 122.042 120.500 -0.009 0.000 2.115 309 R HA -0.254 4.087 4.340 0.000 0.000 0.239 309 R C 1.171 177.464 176.300 -0.012 0.000 1.133 309 R CA 2.058 58.150 56.100 -0.015 0.000 0.935 309 R CB 0.144 30.435 30.300 -0.015 0.000 0.853 309 R HN 0.338 nan 8.270 nan 0.000 0.433 310 E N 0.452 120.648 120.200 -0.006 0.000 2.038 310 E HA -0.204 4.146 4.350 0.000 0.000 0.195 310 E C 1.910 178.510 176.600 0.000 0.000 1.000 310 E CA 1.670 58.068 56.400 -0.003 0.000 0.803 310 E CB -0.349 29.350 29.700 -0.001 0.000 0.750 310 E HN 0.465 nan 8.360 nan 0.000 0.448 311 I N 0.422 120.994 120.570 0.003 0.000 2.394 311 I HA -0.270 3.900 4.170 0.000 0.000 0.251 311 I C 1.620 177.744 176.117 0.012 0.000 1.136 311 I CA 1.240 62.545 61.300 0.009 0.000 1.425 311 I CB -0.042 37.965 38.000 0.011 0.000 1.079 311 I HN 0.124 nan 8.210 nan 0.000 0.425 312 T N 1.157 115.715 114.554 0.006 0.000 2.708 312 T HA -0.217 4.133 4.350 0.000 0.000 0.266 312 T C 1.799 176.499 174.700 -0.000 0.000 1.037 312 T CA 1.935 64.038 62.100 0.005 0.000 1.146 312 T CB -0.206 68.654 68.868 -0.013 0.000 0.865 312 T HN 0.342 nan 8.240 nan 0.000 0.435 313 M N 0.308 119.902 119.600 -0.010 0.000 2.279 313 M HA -0.052 4.428 4.480 0.000 0.000 0.264 313 M C 2.422 178.724 176.300 0.003 0.000 1.062 313 M CA 1.470 56.763 55.300 -0.012 0.000 1.099 313 M CB -0.249 32.342 32.600 -0.014 0.000 1.394 313 M HN 0.104 nan 8.290 nan 0.000 0.426 314 R N -0.105 120.401 120.500 0.010 0.000 2.090 314 R HA -0.018 4.322 4.340 0.000 0.000 0.219 314 R C 1.692 178.008 176.300 0.028 0.000 1.100 314 R CA 1.025 57.135 56.100 0.017 0.000 0.991 314 R CB 0.048 30.357 30.300 0.015 0.000 0.893 314 R HN 0.494 nan 8.270 nan 0.000 0.443 315 E N 0.047 120.267 120.200 0.033 0.000 2.340 315 E HA 0.002 4.352 4.350 0.000 0.000 0.198 315 E C 0.349 176.988 176.600 0.066 0.000 0.961 315 E CA 0.046 56.474 56.400 0.047 0.000 0.905 315 E CB 0.330 30.057 29.700 0.045 0.000 0.884 315 E HN 0.002 nan 8.360 nan 0.000 0.491 316 L N 2.550 123.816 121.223 0.072 0.000 2.934 316 L HA 0.161 4.502 4.340 0.000 0.000 0.233 316 L C -0.270 176.679 176.870 0.133 0.000 1.358 316 L CA 0.320 55.231 54.840 0.119 0.000 1.233 316 L CB -0.070 42.074 42.059 0.142 0.000 1.594 316 L HN 0.002 nan 8.230 nan 0.000 0.439 317 T N -3.932 110.681 114.554 0.100 0.000 2.883 317 T HA 0.499 4.849 4.350 0.000 0.000 0.301 317 T C -2.315 172.434 174.700 0.082 0.000 1.158 317 T CA -1.652 60.503 62.100 0.091 0.000 1.007 317 T CB 1.831 70.730 68.868 0.052 0.000 1.186 317 T HN -0.192 nan 8.240 nan 0.000 0.499 318 P HA -0.033 nan 4.420 nan 0.000 0.215 318 P C 1.756 179.092 177.300 0.059 0.000 1.153 318 P CA 1.839 64.983 63.100 0.073 0.000 0.853 318 P CB -0.265 31.483 31.700 0.079 0.000 0.788 319 A N 0.031 122.882 122.820 0.052 0.000 1.892 319 A HA -0.225 4.096 4.320 0.000 0.000 0.218 319 A C 2.317 179.925 177.584 0.041 0.000 1.188 319 A CA 2.530 54.592 52.037 0.041 0.000 0.631 319 A CB -1.635 17.385 19.000 0.033 0.000 0.822 319 A HN 0.227 nan 8.150 nan 0.000 0.447 320 A N -1.206 121.642 122.820 0.046 0.000 1.930 320 A HA 0.168 4.488 4.320 0.000 0.000 0.215 320 A C 2.106 179.724 177.584 0.056 0.000 1.176 320 A CA 1.569 53.635 52.037 0.048 0.000 0.632 320 A CB -0.488 18.542 19.000 0.050 0.000 0.819 320 A HN 0.418 nan 8.150 nan 0.000 0.445 321 V N 0.082 120.034 119.914 0.063 0.000 2.878 321 V HA -0.045 4.075 4.120 0.000 0.000 0.250 321 V C 1.059 177.189 176.094 0.060 0.000 1.075 321 V CA 1.044 63.387 62.300 0.071 0.000 1.096 321 V CB -0.918 30.954 31.823 0.081 0.000 0.724 321 V HN 0.434 nan 8.190 nan 0.000 0.467 322 T N 1.502 116.086 114.554 0.049 0.000 2.891 322 T HA 0.296 4.646 4.350 0.000 0.000 0.296 322 T C 1.337 176.054 174.700 0.028 0.000 1.025 322 T CA 1.296 63.418 62.100 0.036 0.000 1.149 322 T CB 0.261 69.149 68.868 0.034 0.000 1.007 322 T HN 0.821 nan 8.240 nan 0.000 0.528 323 G N 2.770 111.579 108.800 0.016 0.000 2.179 323 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 323 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 323 G C 0.387 175.294 174.900 0.011 0.000 0.977 323 G CA 0.505 45.608 45.100 0.005 0.000 0.641 323 G HN 1.198 nan 8.290 nan 0.000 0.533 324 T N -1.888 112.688 114.554 0.037 0.000 2.952 324 T HA 0.721 5.071 4.350 0.000 0.000 0.286 324 T C 1.273 176.027 174.700 0.090 0.000 1.024 324 T CA -0.458 61.681 62.100 0.065 0.000 1.029 324 T CB 1.793 70.717 68.868 0.092 0.000 1.094 324 T HN 0.286 nan 8.240 nan 0.000 0.515 325 L N 0.582 121.891 121.223 0.142 0.000 2.591 325 L HA 0.186 4.526 4.340 0.000 0.000 0.228 325 L C 0.829 177.994 176.870 0.492 0.000 1.133 325 L CA -0.084 54.889 54.840 0.221 0.000 0.880 325 L CB -0.326 41.842 42.059 0.181 0.000 1.033 325 L HN 0.757 nan 8.230 nan 0.000 0.450 326 T N 0.332 115.097 114.554 0.352 0.000 2.851 326 T HA 0.194 4.544 4.350 0.000 0.000 0.298 326 T C 0.755 175.600 174.700 0.242 0.000 0.977 326 T CA -0.145 62.146 62.100 0.318 0.000 1.126 326 T CB 0.863 69.853 68.868 0.204 0.000 0.916 326 T HN 0.199 nan 8.240 nan 0.000 0.529 327 T N 1.133 115.810 114.554 0.205 0.000 3.401 327 T HA 0.357 4.707 4.350 0.000 0.000 0.341 327 T C -2.618 172.135 174.700 0.089 0.000 1.674 327 T CA -1.933 60.237 62.100 0.117 0.000 1.600 327 T CB 0.324 69.211 68.868 0.032 0.000 0.974 327 T HN 0.275 nan 8.240 nan 0.000 0.672 328 P HA 0.272 nan 4.420 nan 0.000 0.268 328 P C -0.595 176.753 177.300 0.079 0.000 1.208 328 P CA -0.235 62.915 63.100 0.084 0.000 0.777 328 P CB 1.125 32.879 31.700 0.090 0.000 0.875 329 V N 1.254 121.212 119.914 0.075 0.000 2.577 329 V HA 0.786 4.906 4.120 0.000 0.000 0.303 329 V C 0.638 176.789 176.094 0.096 0.000 1.042 329 V CA -0.351 61.999 62.300 0.084 0.000 0.872 329 V CB 1.578 33.427 31.823 0.043 0.000 0.998 329 V HN 0.939 nan 8.190 nan 0.000 0.423 330 G N 2.123 111.007 108.800 0.141 0.000 2.975 330 G HA2 0.645 4.605 3.960 0.000 0.000 0.291 330 G HA3 0.645 4.605 3.960 0.000 0.000 0.291 330 G C -0.387 174.597 174.900 0.139 0.000 1.334 330 G CA -0.886 44.288 45.100 0.122 0.000 0.843 330 G HN 0.444 nan 8.290 nan 0.000 0.548 331 R N -1.446 119.111 120.500 0.094 0.000 3.627 331 R HA -0.144 4.196 4.340 0.000 0.000 0.281 331 R C -0.047 176.303 176.300 0.084 0.000 1.140 331 R CA 0.296 56.444 56.100 0.078 0.000 0.761 331 R CB -2.557 27.796 30.300 0.089 0.000 1.181 331 R HN 0.444 nan 8.270 nan 0.000 0.472 332 L N 1.791 123.054 121.223 0.066 0.000 2.361 332 L HA 0.315 4.655 4.340 0.000 0.000 0.278 332 L C 1.235 178.125 176.870 0.034 0.000 1.113 332 L CA 0.242 55.111 54.840 0.050 0.000 0.849 332 L CB 0.503 42.580 42.059 0.030 0.000 1.155 332 L HN 0.270 nan 8.230 nan 0.000 0.452 333 R N 1.951 122.472 120.500 0.036 0.000 2.774 333 R HA 0.451 4.791 4.340 0.000 0.000 0.279 333 R C -1.651 174.669 176.300 0.034 0.000 1.022 333 R CA -1.205 54.911 56.100 0.028 0.000 0.855 333 R CB 1.052 31.369 30.300 0.027 0.000 1.279 333 R HN 0.095 nan 8.270 nan 0.000 0.485 334 K N 1.543 121.961 120.400 0.031 0.000 2.144 334 K HA 0.413 4.733 4.320 0.000 0.000 0.270 334 K C -0.083 176.550 176.600 0.055 0.000 1.005 334 K CA -0.518 55.797 56.287 0.047 0.000 0.932 334 K CB 0.791 33.314 32.500 0.039 0.000 1.021 334 K HN 0.465 nan 8.250 nan 0.000 0.462 335 L N 2.314 123.588 121.223 0.084 0.000 2.360 335 L HA 0.217 4.557 4.340 0.000 0.000 0.271 335 L C 1.477 178.344 176.870 -0.006 0.000 1.057 335 L CA -0.704 54.166 54.840 0.049 0.000 0.803 335 L CB 0.589 42.694 42.059 0.077 0.000 1.207 335 L HN 0.487 nan 8.230 nan 0.000 0.445 336 N N 1.531 120.207 118.700 -0.041 0.000 2.258 336 N HA -0.179 4.561 4.740 0.000 0.000 0.187 336 N C 1.505 176.930 175.510 -0.141 0.000 1.012 336 N CA 1.306 54.316 53.050 -0.067 0.000 0.870 336 N CB -0.155 38.297 38.487 -0.058 0.000 0.977 336 N HN 0.579 nan 8.380 nan 0.000 0.434 337 M N -0.817 118.605 119.600 -0.297 0.000 2.202 337 M HA 0.079 4.559 4.480 0.000 0.000 0.262 337 M C 1.130 177.177 176.300 -0.423 0.000 1.063 337 M CA 1.049 55.980 55.300 -0.614 0.000 1.097 337 M CB -1.160 30.532 32.600 -1.515 0.000 1.382 337 M HN 0.079 nan 8.290 nan 0.000 0.413 338 G N -0.871 107.868 108.800 -0.101 0.000 2.328 338 G HA2 0.300 4.260 3.960 0.000 0.000 0.299 338 G HA3 0.300 4.260 3.960 0.000 0.000 0.299 338 G C -2.837 172.202 174.900 0.232 0.000 1.435 338 G CA -0.878 44.324 45.100 0.170 0.000 0.865 338 G HN -0.130 nan 8.290 nan 0.000 0.601 339 P HA 0.084 nan 4.420 nan 0.000 0.230 339 P C 1.000 178.324 177.300 0.040 0.000 1.158 339 P CA 1.026 64.169 63.100 0.071 0.000 0.769 339 P CB 0.282 32.003 31.700 0.035 0.000 0.807 340 E N -1.863 118.368 120.200 0.052 0.000 2.474 340 E HA 0.082 4.432 4.350 0.000 0.000 0.195 340 E C -0.292 176.117 176.600 -0.318 0.000 1.039 340 E CA -0.075 56.234 56.400 -0.152 0.000 0.881 340 E CB -0.003 29.556 29.700 -0.235 0.000 0.970 340 E HN 0.262 nan 8.360 nan 0.000 0.486 341 F N 1.514 121.391 119.950 -0.122 0.000 2.385 341 F HA 0.298 4.825 4.527 0.000 0.000 0.360 341 F C -0.121 175.623 175.800 -0.093 0.000 1.122 341 F CA -1.001 56.919 58.000 -0.134 0.000 1.090 341 F CB 0.818 39.778 39.000 -0.067 0.000 1.150 341 F HN -0.093 nan 8.300 nan 0.000 0.472 342 L N 3.957 125.176 121.223 -0.005 0.000 2.334 342 L HA 0.719 5.059 4.340 0.000 0.000 0.276 342 L C -0.142 176.761 176.870 0.056 0.000 1.014 342 L CA -0.235 54.606 54.840 0.002 0.000 0.815 342 L CB 1.657 43.671 42.059 -0.076 0.000 1.268 342 L HN 0.553 nan 8.230 nan 0.000 0.428 343 S N 3.572 119.323 115.700 0.084 0.000 2.593 343 S HA 1.000 5.470 4.470 0.000 0.000 0.297 343 S C -0.517 174.173 174.600 0.150 0.000 1.112 343 S CA -0.128 58.155 58.200 0.138 0.000 1.043 343 S CB 1.762 65.038 63.200 0.128 0.000 1.054 343 S HN 1.263 nan 8.310 nan 0.000 0.516 344 A N 1.341 124.309 122.820 0.245 0.000 2.589 344 A HA 0.747 5.067 4.320 0.000 0.000 0.296 344 A C -1.777 176.070 177.584 0.438 0.000 1.062 344 A CA -0.653 51.551 52.037 0.279 0.000 0.686 344 A CB 1.133 20.249 19.000 0.194 0.000 1.282 344 A HN 1.043 nan 8.150 nan 0.000 0.404 345 F N 1.823 121.891 119.950 0.197 0.000 2.536 345 F HA 0.651 5.178 4.527 0.000 0.000 0.322 345 F C 0.344 176.236 175.800 0.152 0.000 1.144 345 F CA 0.215 58.302 58.000 0.144 0.000 0.924 345 F CB 2.151 41.170 39.000 0.032 0.000 1.181 345 F HN 0.810 nan 8.300 nan 0.000 0.438 346 T N 2.428 116.863 114.554 -0.198 0.000 2.932 346 T HA 0.905 5.256 4.350 0.000 0.000 0.289 346 T C -1.188 173.378 174.700 -0.223 0.000 1.039 346 T CA -0.777 61.289 62.100 -0.058 0.000 1.024 346 T CB 1.866 70.815 68.868 0.136 0.000 1.090 346 T HN 0.402 nan 8.240 nan 0.000 0.496 347 V N 0.029 119.923 119.914 -0.034 0.000 2.971 347 V HA 0.919 5.039 4.120 0.000 0.000 0.309 347 V C 0.213 176.341 176.094 0.057 0.000 1.130 347 V CA -0.526 61.773 62.300 -0.001 0.000 0.964 347 V CB 2.028 33.887 31.823 0.060 0.000 1.029 347 V HN 1.488 nan 8.190 nan 0.000 0.427 348 G N 0.833 109.676 108.800 0.073 0.000 2.702 348 G HA2 0.433 4.393 3.960 0.000 0.000 0.296 348 G HA3 0.433 4.393 3.960 0.000 0.000 0.296 348 G C -1.857 173.076 174.900 0.055 0.000 1.463 348 G CA -0.537 44.615 45.100 0.088 0.000 0.890 348 G HN 0.625 nan 8.290 nan 0.000 0.534 349 D N 1.083 121.516 120.400 0.055 0.000 2.371 349 D HA 0.021 4.661 4.640 0.000 0.000 0.256 349 D C 1.190 177.454 176.300 -0.061 0.000 1.193 349 D CA -0.233 53.763 54.000 -0.006 0.000 0.881 349 D CB 1.454 42.259 40.800 0.007 0.000 1.143 349 D HN 0.416 nan 8.370 nan 0.000 0.473 350 Q N 3.941 123.623 119.800 -0.197 0.000 2.170 350 Q HA -0.140 4.200 4.340 0.000 0.000 0.203 350 Q C 1.698 177.616 176.000 -0.136 0.000 0.976 350 Q CA 1.098 56.722 55.803 -0.299 0.000 0.858 350 Q CB 0.156 28.507 28.738 -0.646 0.000 0.907 350 Q HN 0.689 nan 8.270 nan 0.000 0.433 351 L N -0.162 121.000 121.223 -0.101 0.000 2.341 351 L HA -0.042 4.298 4.340 0.000 0.000 0.214 351 L C 2.082 178.898 176.870 -0.090 0.000 1.115 351 L CA 0.099 54.895 54.840 -0.074 0.000 0.820 351 L CB -0.077 41.946 42.059 -0.060 0.000 0.944 351 L HN 0.144 nan 8.230 nan 0.000 0.452 352 L N -1.662 119.496 121.223 -0.108 0.000 2.157 352 L HA -0.041 4.299 4.340 0.000 0.000 0.201 352 L C 2.116 178.852 176.870 -0.223 0.000 1.221 352 L CA 1.019 55.731 54.840 -0.214 0.000 0.915 352 L CB -0.689 41.217 42.059 -0.255 0.000 1.013 352 L HN 0.130 nan 8.230 nan 0.000 0.522 353 W N 0.213 121.435 121.300 -0.130 0.000 2.392 353 W HA -0.075 4.585 4.660 0.000 0.000 0.279 353 W C 2.176 178.638 176.519 -0.094 0.000 1.225 353 W CA 0.758 58.016 57.345 -0.145 0.000 1.233 353 W CB -0.406 28.955 29.460 -0.166 0.000 1.122 353 W HN 0.308 nan 8.180 nan 0.000 0.561 354 G N -0.901 107.970 108.800 0.119 0.000 2.920 354 G HA2 0.243 4.203 3.960 0.000 0.000 0.208 354 G HA3 0.243 4.203 3.960 0.000 0.000 0.208 354 G C 0.902 175.823 174.900 0.035 0.000 1.159 354 G CA 0.885 46.025 45.100 0.067 0.000 0.784 354 G HN 0.275 nan 8.290 nan 0.000 0.535 355 A N -0.551 122.273 122.820 0.006 0.000 1.674 355 A HA 0.685 5.005 4.320 0.000 0.000 0.144 355 A C 2.070 179.637 177.584 -0.027 0.000 1.502 355 A CA 1.226 53.260 52.037 -0.004 0.000 1.644 355 A CB -0.904 18.087 19.000 -0.014 0.000 1.505 355 A HN 0.598 nan 8.150 nan 0.000 1.092 356 A N -0.221 122.558 122.820 -0.068 0.000 1.898 356 A HA 0.074 4.394 4.320 0.000 0.000 0.214 356 A C 1.760 179.249 177.584 -0.158 0.000 1.183 356 A CA 2.188 54.172 52.037 -0.089 0.000 0.622 356 A CB -0.486 18.460 19.000 -0.090 0.000 0.824 356 A HN 0.516 nan 8.150 nan 0.000 0.444 357 E N 0.400 120.431 120.200 -0.281 0.000 2.070 357 E HA -0.144 4.206 4.350 0.000 0.000 0.197 357 E C -0.708 175.693 176.600 -0.331 0.000 1.004 357 E CA 2.221 58.328 56.400 -0.488 0.000 0.805 357 E CB -1.079 27.984 29.700 -1.063 0.000 0.744 357 E HN 0.426 nan 8.360 nan 0.000 0.451 358 P HA -0.132 nan 4.420 nan 0.000 0.218 358 P C 1.113 178.396 177.300 -0.027 0.000 1.148 358 P CA 1.176 64.282 63.100 0.010 0.000 0.822 358 P CB -0.033 31.722 31.700 0.092 0.000 0.784 359 L N -0.964 120.233 121.223 -0.043 0.000 2.027 359 L HA -0.107 4.233 4.340 0.000 0.000 0.206 359 L C 2.788 179.621 176.870 -0.063 0.000 1.074 359 L CA 1.410 56.231 54.840 -0.032 0.000 0.745 359 L CB -0.850 41.200 42.059 -0.015 0.000 0.898 359 L HN -0.083 nan 8.230 nan 0.000 0.433 360 R N 0.690 121.131 120.500 -0.097 0.000 2.083 360 R HA -0.164 4.176 4.340 0.000 0.000 0.237 360 R C 2.532 178.758 176.300 -0.123 0.000 1.137 360 R CA 1.446 57.475 56.100 -0.119 0.000 0.951 360 R CB -0.082 30.115 30.300 -0.172 0.000 0.851 360 R HN 0.302 nan 8.270 nan 0.000 0.434 361 R N 0.046 120.469 120.500 -0.129 0.000 2.096 361 R HA -0.155 4.185 4.340 0.000 0.000 0.235 361 R C 2.212 178.453 176.300 -0.099 0.000 1.127 361 R CA 1.461 57.504 56.100 -0.095 0.000 0.968 361 R CB -0.604 29.663 30.300 -0.055 0.000 0.861 361 R HN 0.294 nan 8.270 nan 0.000 0.440 362 M N 1.108 120.642 119.600 -0.111 0.000 2.132 362 M HA -0.087 4.393 4.480 0.000 0.000 0.263 362 M C 2.065 178.247 176.300 -0.197 0.000 1.065 362 M CA 1.246 56.440 55.300 -0.176 0.000 1.122 362 M CB -0.453 32.046 32.600 -0.169 0.000 1.365 362 M HN 0.096 nan 8.290 nan 0.000 0.411 363 L N 0.188 121.325 121.223 -0.144 0.000 2.012 363 L HA -0.211 4.129 4.340 0.000 0.000 0.210 363 L C 2.344 179.132 176.870 -0.137 0.000 1.073 363 L CA 1.908 56.666 54.840 -0.136 0.000 0.748 363 L CB -0.816 41.189 42.059 -0.090 0.000 0.891 363 L HN 0.259 nan 8.230 nan 0.000 0.431 364 R N -0.176 120.252 120.500 -0.120 0.000 2.103 364 R HA -0.203 4.137 4.340 0.000 0.000 0.242 364 R C 2.196 178.430 176.300 -0.110 0.000 1.142 364 R CA 2.040 58.080 56.100 -0.101 0.000 0.960 364 R CB -0.673 29.577 30.300 -0.082 0.000 0.858 364 R HN 0.653 nan 8.270 nan 0.000 0.439 365 Q N -0.152 119.562 119.800 -0.144 0.000 2.224 365 Q HA -0.032 4.309 4.340 0.000 0.000 0.203 365 Q C 2.037 177.916 176.000 -0.202 0.000 0.970 365 Q CA 0.844 56.550 55.803 -0.162 0.000 0.865 365 Q CB 0.081 28.700 28.738 -0.198 0.000 0.922 365 Q HN 0.339 nan 8.270 nan 0.000 0.445 366 L N -0.142 120.932 121.223 -0.248 0.000 2.477 366 L HA 0.176 4.516 4.340 0.000 0.000 0.220 366 L C 1.219 177.995 176.870 -0.157 0.000 1.106 366 L CA -0.449 54.217 54.840 -0.291 0.000 0.851 366 L CB -0.230 41.569 42.059 -0.434 0.000 0.994 366 L HN 0.036 nan 8.230 nan 0.000 0.462 367 A N 0.000 122.753 122.820 -0.112 0.000 2.254 367 A HA 0.000 4.320 4.320 0.000 0.000 0.244 367 A CA 0.000 52.002 52.037 -0.059 0.000 0.836 367 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486