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 3dcv_1_A DATA FIRST_RESID 32 DATA SEQUENCE EPLESQYQVG PLLGSGGFGS VYSGIRVSDN LPVAIKHVEK DRISDWGELP DATA SEQUENCE NGTRVPMEVV LLKKVSSGFS GVIRLLDWFE RPDSFVLILE RPEPVQDLFD DATA SEQUENCE FITERGALQE ELARSFFWQV LEAVRHCHNC GVLHRDIKDE NILIDLNRGE DATA SEQUENCE LKLIDFGSGA LLKDTVYTDF DGTRVYSPPE WIRYHRYHGR SAAVWSLGIL DATA SEQUENCE LYDMVCGDIP FEHDEEIIRG QVFFRQRVSX ECQHLIRWCL ALRPSDRPTF DATA SEQUENCE EEIQNHPWMQ DVLLPQETAE IHLH 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 32 E HA 0.000 nan 4.350 nan 0.000 0.291 32 E C 0.000 176.580 176.600 -0.033 0.000 1.382 32 E CA 0.000 56.385 56.400 -0.024 0.000 0.976 32 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 33 P HA -0.057 nan 4.420 nan 0.000 0.211 33 P C 1.372 178.559 177.300 -0.189 0.000 1.181 33 P CA 2.123 65.167 63.100 -0.094 0.000 0.929 33 P CB 0.261 31.909 31.700 -0.086 0.000 0.789 34 L N -4.511 116.581 121.223 -0.218 0.000 1.240 34 L HA -0.017 4.323 4.340 0.001 0.000 0.052 34 L C 0.310 177.086 176.870 -0.156 0.000 1.525 34 L CA 0.832 55.450 54.840 -0.370 0.000 1.118 34 L CB -1.273 40.447 42.059 -0.565 0.000 2.255 34 L HN -0.212 nan 8.230 nan 0.000 0.438 35 E N 0.453 120.581 120.200 -0.119 0.000 2.511 35 E HA 0.124 4.475 4.350 0.001 0.000 0.196 35 E C 1.756 178.330 176.600 -0.043 0.000 1.066 35 E CA 0.891 57.261 56.400 -0.050 0.000 0.871 35 E CB -0.113 29.553 29.700 -0.056 0.000 0.863 35 E HN 0.652 nan 8.360 nan 0.000 0.520 36 S N -0.562 115.095 115.700 -0.072 0.000 2.470 36 S HA -0.047 4.424 4.470 0.001 0.000 0.222 36 S C 1.953 176.488 174.600 -0.109 0.000 1.024 36 S CA 0.059 58.216 58.200 -0.073 0.000 0.931 36 S CB 0.101 63.259 63.200 -0.070 0.000 0.791 36 S HN 0.186 nan 8.310 nan 0.000 0.513 37 Q N -0.357 119.340 119.800 -0.171 0.000 2.331 37 Q HA 0.181 4.522 4.340 0.001 0.000 0.203 37 Q C -0.847 174.825 176.000 -0.548 0.000 0.944 37 Q CA 0.518 56.103 55.803 -0.363 0.000 0.892 37 Q CB 0.228 28.694 28.738 -0.454 0.000 0.983 37 Q HN 0.723 nan 8.270 nan 0.000 0.482 38 Y N 0.385 120.674 120.300 -0.017 0.000 2.326 38 Y HA 0.246 4.797 4.550 0.002 0.000 0.329 38 Y C -0.679 175.218 175.900 -0.005 0.000 0.973 38 Y CA -1.245 56.857 58.100 0.003 0.000 1.162 38 Y CB 1.551 40.023 38.460 0.020 0.000 1.147 38 Y HN -0.114 nan 8.280 nan 0.000 0.456 39 Q N 3.128 123.009 119.800 0.136 0.000 2.359 39 Q HA 0.226 4.567 4.340 0.001 0.000 0.249 39 Q C -0.872 175.186 176.000 0.096 0.000 1.181 39 Q CA 0.067 55.920 55.803 0.084 0.000 0.897 39 Q CB -0.072 28.702 28.738 0.060 0.000 1.424 39 Q HN 0.575 nan 8.270 nan 0.000 0.478 40 V N 3.571 123.527 119.914 0.070 0.000 2.843 40 V HA 0.513 4.634 4.120 0.001 0.000 0.305 40 V C 1.027 177.158 176.094 0.062 0.000 1.065 40 V CA 0.828 63.159 62.300 0.052 0.000 1.116 40 V CB 0.967 32.772 31.823 -0.030 0.000 0.968 40 V HN 0.894 nan 8.190 nan 0.000 0.487 41 G N 3.909 112.772 108.800 0.106 0.000 3.166 41 G HA2 0.676 4.637 3.960 0.001 0.000 0.267 41 G HA3 0.676 4.637 3.960 0.001 0.000 0.267 41 G C -2.983 172.032 174.900 0.192 0.000 1.256 41 G CA -0.851 44.320 45.100 0.120 0.000 0.859 41 G HN 0.575 nan 8.290 nan 0.000 0.590 42 P HA 0.316 nan 4.420 nan 0.000 0.274 42 P C -0.408 176.973 177.300 0.135 0.000 1.231 42 P CA -0.540 62.649 63.100 0.148 0.000 0.790 42 P CB 1.316 33.065 31.700 0.081 0.000 0.951 43 L N 2.534 123.780 121.223 0.038 0.000 2.540 43 L HA -0.040 4.301 4.340 0.001 0.000 0.276 43 L C 1.287 178.096 176.870 -0.101 0.000 1.212 43 L CA 0.657 55.364 54.840 -0.222 0.000 0.893 43 L CB -0.293 41.612 42.059 -0.257 0.000 1.138 43 L HN 0.346 nan 8.230 nan 0.000 0.491 44 L N 4.101 125.261 121.223 -0.105 0.000 2.298 44 L HA 0.382 4.723 4.340 0.001 0.000 0.209 44 L C 1.004 177.868 176.870 -0.010 0.000 1.084 44 L CA 0.532 55.356 54.840 -0.027 0.000 0.816 44 L CB -0.308 41.749 42.059 -0.002 0.000 0.967 44 L HN 0.839 nan 8.230 nan 0.000 0.460 45 G N -1.014 107.778 108.800 -0.013 0.000 2.356 45 G HA2 0.437 4.398 3.960 0.001 0.000 0.294 45 G HA3 0.437 4.398 3.960 0.001 0.000 0.294 45 G C -1.619 173.348 174.900 0.111 0.000 1.423 45 G CA 0.080 45.225 45.100 0.076 0.000 0.806 45 G HN 0.003 nan 8.290 nan 0.000 0.527 46 S N -1.353 114.391 115.700 0.074 0.000 2.543 46 S HA 0.942 5.412 4.470 0.001 0.000 0.274 46 S C 0.042 174.354 174.600 -0.479 0.000 1.149 46 S CA 0.405 58.437 58.200 -0.280 0.000 0.866 46 S CB 1.636 64.696 63.200 -0.233 0.000 1.111 46 S HN 2.516 nan 8.310 nan 0.000 0.457 47 G N 0.774 108.938 108.800 -1.059 0.000 2.818 47 G HA2 0.537 4.498 3.960 0.001 0.000 0.109 47 G HA3 0.537 4.498 3.960 0.001 0.000 0.109 47 G C 0.658 175.169 174.900 -0.649 0.000 1.206 47 G CA 0.206 44.910 45.100 -0.660 0.000 1.243 47 G HN 1.397 nan 8.290 nan 0.000 0.609 48 G N 0.184 108.740 108.800 -0.407 0.000 2.464 48 G HA2 0.179 4.140 3.960 0.001 0.000 0.217 48 G HA3 0.179 4.140 3.960 0.001 0.000 0.217 48 G C 1.599 176.384 174.900 -0.190 0.000 1.138 48 G CA 1.622 46.596 45.100 -0.210 0.000 0.793 48 G HN 0.627 nan 8.290 nan 0.000 0.539 49 F N 0.324 120.231 119.950 -0.072 0.000 2.325 49 F HA 0.403 4.931 4.527 0.002 0.000 0.299 49 F C 1.304 177.079 175.800 -0.040 0.000 1.090 49 F CA -0.107 57.850 58.000 -0.072 0.000 1.392 49 F CB -0.518 38.439 39.000 -0.072 0.000 1.053 49 F HN 0.406 nan 8.300 nan 0.000 0.521 50 G N -0.112 108.370 108.800 -0.529 0.000 2.295 50 G HA2 0.118 4.079 3.960 0.001 0.000 0.195 50 G HA3 0.118 4.079 3.960 0.001 0.000 0.195 50 G C -1.160 173.569 174.900 -0.285 0.000 1.269 50 G CA -0.466 44.485 45.100 -0.248 0.000 1.170 50 G HN 0.358 nan 8.290 nan 0.000 0.511 51 S N -0.338 115.366 115.700 0.007 0.000 2.498 51 S HA 0.670 5.141 4.470 0.001 0.000 0.317 51 S C -0.246 174.426 174.600 0.120 0.000 1.090 51 S CA -0.509 57.685 58.200 -0.010 0.000 1.089 51 S CB 1.798 64.987 63.200 -0.019 0.000 0.997 51 S HN 1.115 nan 8.310 nan 0.000 0.470 52 V N 4.068 124.001 119.914 0.032 0.000 2.459 52 V HA 0.492 4.613 4.120 0.001 0.000 0.295 52 V C -1.281 174.742 176.094 -0.118 0.000 1.029 52 V CA -0.648 61.708 62.300 0.093 0.000 0.874 52 V CB 0.693 32.594 31.823 0.131 0.000 0.985 52 V HN 0.821 nan 8.190 nan 0.000 0.438 53 Y N 1.531 121.908 120.300 0.128 0.000 2.429 53 Y HA 0.507 5.058 4.550 0.001 0.000 0.342 53 Y C 0.734 176.675 175.900 0.068 0.000 1.004 53 Y CA -0.504 57.650 58.100 0.090 0.000 1.075 53 Y CB 2.049 40.567 38.460 0.096 0.000 1.214 53 Y HN 0.601 nan 8.280 nan 0.000 0.455 54 S N 1.122 116.939 115.700 0.195 0.000 2.572 54 S HA 0.670 5.140 4.470 0.001 0.000 0.279 54 S C 0.144 174.830 174.600 0.143 0.000 1.341 54 S CA 0.293 58.571 58.200 0.130 0.000 1.043 54 S CB 0.047 63.304 63.200 0.095 0.000 0.887 54 S HN 0.990 nan 8.310 nan 0.000 0.516 55 G N 2.234 111.100 108.800 0.110 0.000 2.645 55 G HA2 0.671 4.632 3.960 0.001 0.000 0.292 55 G HA3 0.671 4.632 3.960 0.001 0.000 0.292 55 G C -1.815 173.155 174.900 0.117 0.000 1.415 55 G CA -0.683 44.486 45.100 0.115 0.000 0.785 55 G HN 0.731 nan 8.290 nan 0.000 0.483 56 I N 0.025 120.688 120.570 0.155 0.000 2.610 56 I HA 0.369 4.540 4.170 0.001 0.000 0.289 56 I C -0.075 176.174 176.117 0.219 0.000 1.163 56 I CA -0.729 60.661 61.300 0.150 0.000 1.044 56 I CB 2.644 40.699 38.000 0.093 0.000 1.251 56 I HN 0.474 nan 8.210 nan 0.000 0.424 57 R N 5.452 126.096 120.500 0.239 0.000 2.343 57 R HA 0.369 4.710 4.340 0.001 0.000 0.326 57 R C -0.886 175.415 176.300 0.002 0.000 1.055 57 R CA -0.341 55.847 56.100 0.147 0.000 0.961 57 R CB 0.575 30.976 30.300 0.168 0.000 0.978 57 R HN 0.454 nan 8.270 nan 0.000 0.443 58 V N 5.678 125.548 119.914 -0.073 0.000 2.599 58 V HA 0.011 4.132 4.120 0.001 0.000 0.300 58 V C 1.023 177.071 176.094 -0.075 0.000 1.034 58 V CA 1.449 63.712 62.300 -0.062 0.000 1.115 58 V CB 0.684 32.462 31.823 -0.075 0.000 0.934 58 V HN 1.224 nan 8.190 nan 0.000 0.485 59 S N 3.261 118.937 115.700 -0.040 0.000 1.619 59 S HA -0.175 4.295 4.470 0.001 0.000 0.252 59 S C 0.835 175.426 174.600 -0.015 0.000 0.621 59 S CA 0.409 58.589 58.200 -0.034 0.000 1.069 59 S CB -1.208 61.962 63.200 -0.049 0.000 0.676 59 S HN 0.850 nan 8.310 nan 0.000 0.490 60 D N 2.419 122.814 120.400 -0.007 0.000 2.349 60 D HA 0.323 4.964 4.640 0.001 0.000 0.214 60 D C 0.426 176.736 176.300 0.017 0.000 1.063 60 D CA 0.602 54.606 54.000 0.007 0.000 0.847 60 D CB -1.169 39.638 40.800 0.012 0.000 0.933 60 D HN 0.810 nan 8.370 nan 0.000 0.513 61 N N -0.241 118.471 118.700 0.019 0.000 2.693 61 N HA -0.187 4.554 4.740 0.001 0.000 0.249 61 N C -0.505 175.032 175.510 0.045 0.000 1.119 61 N CA 0.195 53.264 53.050 0.031 0.000 0.717 61 N CB -1.090 37.410 38.487 0.023 0.000 1.071 61 N HN 0.389 nan 8.380 nan 0.000 0.555 62 L N 0.614 121.871 121.223 0.056 0.000 2.499 62 L HA 0.147 4.488 4.340 0.001 0.000 0.273 62 L C -1.801 175.117 176.870 0.080 0.000 1.195 62 L CA -0.971 53.907 54.840 0.064 0.000 0.882 62 L CB 0.586 42.693 42.059 0.079 0.000 1.133 62 L HN -0.100 nan 8.230 nan 0.000 0.483 63 P HA 0.123 nan 4.420 nan 0.000 0.276 63 P C -0.833 176.503 177.300 0.061 0.000 1.243 63 P CA -0.118 63.018 63.100 0.060 0.000 0.768 63 P CB 1.186 32.909 31.700 0.038 0.000 0.856 64 V N 0.518 120.474 119.914 0.070 0.000 3.155 64 V HA 0.985 5.106 4.120 0.001 0.000 0.313 64 V C -0.839 175.273 176.094 0.030 0.000 1.162 64 V CA -1.624 60.701 62.300 0.041 0.000 1.048 64 V CB 1.766 33.602 31.823 0.021 0.000 1.092 64 V HN 0.487 nan 8.190 nan 0.000 0.447 65 A N 1.424 124.248 122.820 0.008 0.000 2.356 65 A HA 0.888 5.208 4.320 0.001 0.000 0.310 65 A C -0.833 176.764 177.584 0.022 0.000 1.075 65 A CA -0.634 51.424 52.037 0.034 0.000 0.746 65 A CB 1.001 20.018 19.000 0.028 0.000 1.221 65 A HN 0.873 nan 8.150 nan 0.000 0.443 66 I N 2.131 122.756 120.570 0.090 0.000 2.330 66 I HA 0.341 4.512 4.170 0.001 0.000 0.289 66 I C 0.150 176.395 176.117 0.214 0.000 1.001 66 I CA -0.304 61.044 61.300 0.080 0.000 1.193 66 I CB 1.565 39.622 38.000 0.096 0.000 1.345 66 I HN 0.655 nan 8.210 nan 0.000 0.461 67 K N 6.455 126.919 120.400 0.106 0.000 2.265 67 K HA 0.423 4.744 4.320 0.001 0.000 0.267 67 K C -0.935 175.726 176.600 0.102 0.000 0.994 67 K CA -0.526 55.868 56.287 0.178 0.000 0.860 67 K CB 0.826 33.403 32.500 0.127 0.000 1.099 67 K HN 0.594 nan 8.250 nan 0.000 0.448 68 H N 2.366 121.561 119.070 0.207 0.000 2.459 68 H HA 0.394 4.950 4.556 0.001 0.000 0.332 68 H C -1.187 174.224 175.328 0.138 0.000 1.094 68 H CA -0.865 55.291 56.048 0.180 0.000 1.224 68 H CB 2.158 32.036 29.762 0.193 0.000 1.449 68 H HN 0.278 nan 8.280 nan 0.000 0.484 69 V N 3.999 124.049 119.914 0.226 0.000 2.733 69 V HA 0.159 4.280 4.120 0.001 0.000 0.306 69 V C -0.818 175.378 176.094 0.170 0.000 1.084 69 V CA -0.765 61.623 62.300 0.146 0.000 0.905 69 V CB 2.153 34.016 31.823 0.066 0.000 1.010 69 V HN 0.883 nan 8.190 nan 0.000 0.424 70 E N 5.236 125.514 120.200 0.131 0.000 2.283 70 E HA 0.377 4.728 4.350 0.001 0.000 0.278 70 E C 0.267 176.973 176.600 0.176 0.000 1.027 70 E CA -0.754 55.736 56.400 0.150 0.000 0.843 70 E CB 1.598 31.365 29.700 0.111 0.000 1.062 70 E HN 0.638 nan 8.360 nan 0.000 0.401 71 K N 2.268 122.828 120.400 0.265 0.000 2.127 71 K HA -0.242 4.079 4.320 0.001 0.000 0.208 71 K C 0.933 177.727 176.600 0.324 0.000 1.047 71 K CA 2.127 58.653 56.287 0.399 0.000 0.927 71 K CB -0.242 32.531 32.500 0.455 0.000 0.716 71 K HN 0.500 nan 8.250 nan 0.000 0.450 72 D N 0.726 121.249 120.400 0.204 0.000 2.126 72 D HA -0.193 4.448 4.640 0.001 0.000 0.190 72 D C 1.501 177.885 176.300 0.141 0.000 1.001 72 D CA 1.533 55.624 54.000 0.152 0.000 0.841 72 D CB -0.189 40.671 40.800 0.099 0.000 0.949 72 D HN 0.384 nan 8.370 nan 0.000 0.446 73 R N 0.299 120.861 120.500 0.104 0.000 2.466 73 R HA 0.290 4.631 4.340 0.001 0.000 0.279 73 R C 0.098 176.416 176.300 0.030 0.000 0.976 73 R CA -0.185 55.952 56.100 0.061 0.000 1.081 73 R CB -0.044 30.269 30.300 0.022 0.000 1.215 73 R HN 0.192 nan 8.270 nan 0.000 0.546 74 I N 2.800 123.395 120.570 0.041 0.000 2.436 74 I HA -0.040 4.131 4.170 0.001 0.000 0.289 74 I C 1.101 177.207 176.117 -0.018 0.000 1.083 74 I CA -0.007 61.212 61.300 -0.134 0.000 1.372 74 I CB 1.493 39.187 38.000 -0.510 0.000 1.408 74 I HN 0.195 nan 8.210 nan 0.000 0.516 75 S N 3.042 118.708 115.700 -0.058 0.000 2.441 75 S HA 0.048 4.519 4.470 0.001 0.000 0.224 75 S C 0.665 175.285 174.600 0.035 0.000 1.043 75 S CA -0.002 58.222 58.200 0.040 0.000 0.948 75 S CB 0.167 63.372 63.200 0.008 0.000 0.810 75 S HN 0.566 nan 8.310 nan 0.000 0.504 76 D N 1.324 121.650 120.400 -0.125 0.000 2.441 76 D HA 0.296 4.937 4.640 0.001 0.000 0.221 76 D C -1.621 174.543 176.300 -0.226 0.000 1.156 76 D CA -0.174 53.756 54.000 -0.118 0.000 0.896 76 D CB 0.441 41.151 40.800 -0.151 0.000 1.028 76 D HN 0.350 nan 8.370 nan 0.000 0.509 77 W N 1.290 122.547 121.300 -0.073 0.000 2.512 77 W HA 0.564 5.225 4.660 0.003 0.000 0.335 77 W C 0.757 177.221 176.519 -0.093 0.000 1.088 77 W CA -0.427 56.860 57.345 -0.096 0.000 1.236 77 W CB 1.971 31.394 29.460 -0.062 0.000 1.307 77 W HN 0.247 nan 8.180 nan 0.000 0.567 78 G N 0.754 109.643 108.800 0.148 0.000 2.725 78 G HA2 0.593 4.554 3.960 0.001 0.000 0.288 78 G HA3 0.593 4.554 3.960 0.001 0.000 0.288 78 G C -1.604 173.327 174.900 0.053 0.000 1.399 78 G CA -0.812 44.317 45.100 0.048 0.000 0.859 78 G HN 0.280 nan 8.290 nan 0.000 0.479 79 E N 0.315 120.524 120.200 0.016 0.000 2.176 79 E HA 0.319 4.670 4.350 0.001 0.000 0.267 79 E C -0.770 175.825 176.600 -0.009 0.000 0.893 79 E CA -0.792 55.619 56.400 0.018 0.000 0.761 79 E CB 2.784 32.497 29.700 0.021 0.000 1.133 79 E HN 0.191 nan 8.360 nan 0.000 0.409 80 L N 4.518 125.740 121.223 -0.002 0.000 2.467 80 L HA 0.098 4.439 4.340 0.001 0.000 0.270 80 L C -1.446 175.433 176.870 0.015 0.000 1.205 80 L CA -1.234 53.603 54.840 -0.005 0.000 0.828 80 L CB 0.102 42.186 42.059 0.042 0.000 1.101 80 L HN 0.325 nan 8.230 nan 0.000 0.479 81 P HA -0.154 nan 4.420 nan 0.000 0.218 81 P C -0.075 177.241 177.300 0.026 0.000 1.146 81 P CA 1.471 64.580 63.100 0.015 0.000 0.820 81 P CB -0.068 31.642 31.700 0.015 0.000 0.778 82 N N -2.162 116.564 118.700 0.043 0.000 2.458 82 N HA 0.185 4.926 4.740 0.001 0.000 0.274 82 N C 1.033 176.575 175.510 0.053 0.000 1.242 82 N CA 0.383 53.462 53.050 0.047 0.000 0.904 82 N CB 0.417 38.938 38.487 0.057 0.000 1.206 82 N HN 0.152 nan 8.380 nan 0.000 0.510 83 G N 1.443 110.271 108.800 0.046 0.000 4.677 83 G HA2 -0.357 3.604 3.960 0.001 0.000 0.215 83 G HA3 -0.357 3.604 3.960 0.001 0.000 0.215 83 G C 0.196 175.134 174.900 0.063 0.000 1.506 83 G CA 0.130 45.258 45.100 0.046 0.000 1.016 83 G HN 0.624 nan 8.290 nan 0.000 0.653 84 T N 1.237 115.847 114.554 0.093 0.000 2.830 84 T HA 0.259 4.610 4.350 0.001 0.000 0.282 84 T C 0.599 175.379 174.700 0.133 0.000 1.024 84 T CA 0.864 63.043 62.100 0.132 0.000 1.144 84 T CB 0.973 69.961 68.868 0.201 0.000 1.035 84 T HN 0.789 nan 8.240 nan 0.000 0.507 85 R N 1.496 122.082 120.500 0.143 0.000 2.543 85 R HA 0.523 4.864 4.340 0.001 0.000 0.277 85 R C -1.020 175.465 176.300 0.309 0.000 1.074 85 R CA -0.445 55.754 56.100 0.165 0.000 1.076 85 R CB 0.402 30.735 30.300 0.054 0.000 0.993 85 R HN 0.598 nan 8.270 nan 0.000 0.459 86 V N 5.602 125.696 119.914 0.301 0.000 3.167 86 V HA 0.269 4.390 4.120 0.001 0.000 0.293 86 V C -2.499 173.359 176.094 -0.393 0.000 1.379 86 V CA -1.910 60.327 62.300 -0.104 0.000 1.019 86 V CB 2.684 34.317 31.823 -0.317 0.000 1.115 86 V HN 0.806 nan 8.190 nan 0.000 0.442 87 P HA 0.067 nan 4.420 nan 0.000 0.262 87 P C 0.626 177.586 177.300 -0.568 0.000 1.182 87 P CA 0.182 62.697 63.100 -0.975 0.000 0.761 87 P CB 0.399 31.507 31.700 -0.987 0.000 0.795 88 M N 4.344 123.701 119.600 -0.406 0.000 2.143 88 M HA -0.252 4.229 4.480 0.001 0.000 0.258 88 M C 1.782 177.930 176.300 -0.253 0.000 1.071 88 M CA 1.899 57.050 55.300 -0.247 0.000 1.088 88 M CB -1.048 31.454 32.600 -0.164 0.000 1.360 88 M HN 0.455 nan 8.290 nan 0.000 0.404 89 E N -1.040 118.996 120.200 -0.273 0.000 2.097 89 E HA -0.205 4.146 4.350 0.001 0.000 0.196 89 E C 1.731 178.160 176.600 -0.286 0.000 1.000 89 E CA 1.958 58.230 56.400 -0.213 0.000 0.804 89 E CB -0.110 29.485 29.700 -0.176 0.000 0.740 89 E HN 0.453 nan 8.360 nan 0.000 0.454 90 V N 0.128 119.796 119.914 -0.410 0.000 2.358 90 V HA -0.234 3.887 4.120 0.001 0.000 0.246 90 V C 2.366 178.213 176.094 -0.411 0.000 1.047 90 V CA 1.396 63.386 62.300 -0.516 0.000 1.035 90 V CB -0.269 31.020 31.823 -0.890 0.000 0.658 90 V HN 0.209 nan 8.190 nan 0.000 0.452 91 V N -0.045 119.663 119.914 -0.344 0.000 2.287 91 V HA -0.271 3.850 4.120 0.001 0.000 0.248 91 V C 2.300 178.278 176.094 -0.194 0.000 1.053 91 V CA 2.096 64.257 62.300 -0.232 0.000 1.027 91 V CB -0.554 31.167 31.823 -0.169 0.000 0.646 91 V HN 0.439 nan 8.190 nan 0.000 0.447 92 L N -0.899 120.205 121.223 -0.199 0.000 2.027 92 L HA -0.141 4.200 4.340 0.001 0.000 0.206 92 L C 2.413 179.088 176.870 -0.325 0.000 1.074 92 L CA 1.421 56.140 54.840 -0.202 0.000 0.745 92 L CB -0.552 41.431 42.059 -0.127 0.000 0.898 92 L HN 0.290 nan 8.230 nan 0.000 0.433 93 L N -0.204 120.791 121.223 -0.380 0.000 2.131 93 L HA -0.211 4.130 4.340 0.001 0.000 0.210 93 L C 2.619 179.349 176.870 -0.232 0.000 1.092 93 L CA 1.177 55.783 54.840 -0.389 0.000 0.759 93 L CB -0.386 41.483 42.059 -0.317 0.000 0.903 93 L HN 0.247 nan 8.230 nan 0.000 0.435 94 K N 0.485 120.770 120.400 -0.192 0.000 2.057 94 K HA -0.157 4.164 4.320 0.001 0.000 0.206 94 K C 1.997 178.543 176.600 -0.091 0.000 1.050 94 K CA 1.226 57.443 56.287 -0.116 0.000 0.935 94 K CB 0.125 32.558 32.500 -0.111 0.000 0.715 94 K HN 0.140 nan 8.250 nan 0.000 0.439 95 K N 0.069 120.402 120.400 -0.111 0.000 2.442 95 K HA -0.050 4.270 4.320 0.001 0.000 0.198 95 K C 0.974 177.532 176.600 -0.070 0.000 1.042 95 K CA 1.008 57.245 56.287 -0.083 0.000 0.958 95 K CB 0.435 32.885 32.500 -0.083 0.000 0.766 95 K HN 0.132 nan 8.250 nan 0.000 0.474 96 V N -1.669 118.195 119.914 -0.084 0.000 2.988 96 V HA 0.173 4.294 4.120 0.001 0.000 0.356 96 V C -0.078 176.038 176.094 0.036 0.000 1.380 96 V CA -0.780 61.520 62.300 0.000 0.000 1.184 96 V CB 0.192 31.987 31.823 -0.048 0.000 1.204 96 V HN 0.073 nan 8.190 nan 0.000 0.530 97 S N 1.224 116.927 115.700 0.005 0.000 2.457 97 S HA 0.872 5.343 4.470 0.001 0.000 0.289 97 S C 0.121 174.748 174.600 0.046 0.000 1.163 97 S CA 0.502 58.707 58.200 0.009 0.000 1.078 97 S CB 1.446 64.637 63.200 -0.015 0.000 0.987 97 S HN 1.697 nan 8.310 nan 0.000 0.482 98 S N 2.382 118.113 115.700 0.051 0.000 3.351 98 S HA 0.411 4.882 4.470 0.001 0.000 0.288 98 S C 0.905 175.532 174.600 0.046 0.000 1.231 98 S CA -0.245 57.992 58.200 0.061 0.000 1.548 98 S CB -0.102 63.162 63.200 0.106 0.000 1.469 98 S HN 1.159 nan 8.310 nan 0.000 0.357 99 G N 0.314 109.154 108.800 0.067 0.000 2.744 99 G HA2 0.277 4.238 3.960 0.001 0.000 0.211 99 G HA3 0.277 4.238 3.960 0.001 0.000 0.211 99 G C 0.087 175.004 174.900 0.027 0.000 1.146 99 G CA 0.084 45.208 45.100 0.041 0.000 0.787 99 G HN 0.649 nan 8.290 nan 0.000 0.534 100 F N 3.303 123.176 119.950 -0.128 0.000 2.438 100 F HA 0.413 4.940 4.527 0.001 0.000 0.360 100 F C 1.076 176.721 175.800 -0.257 0.000 1.118 100 F CA -0.912 56.948 58.000 -0.234 0.000 1.164 100 F CB 1.142 39.869 39.000 -0.456 0.000 1.131 100 F HN -0.007 nan 8.300 nan 0.000 0.527 101 S N 3.180 118.416 115.700 -0.774 0.000 2.596 101 S HA 0.246 4.717 4.470 0.001 0.000 0.248 101 S C 1.187 175.366 174.600 -0.702 0.000 1.162 101 S CA -0.082 57.791 58.200 -0.545 0.000 1.185 101 S CB 0.089 63.095 63.200 -0.324 0.000 0.833 101 S HN 0.847 nan 8.310 nan 0.000 0.472 102 G N 0.470 108.603 108.800 -1.112 0.000 2.838 102 G HA2 0.316 4.276 3.960 0.001 0.000 0.210 102 G HA3 0.316 4.276 3.960 0.001 0.000 0.210 102 G C 0.266 175.150 174.900 -0.025 0.000 1.153 102 G CA 0.527 45.337 45.100 -0.483 0.000 0.778 102 G HN 0.830 nan 8.290 nan 0.000 0.539 103 V N 0.811 120.746 119.914 0.036 0.000 2.604 103 V HA 0.670 4.791 4.120 0.001 0.000 0.305 103 V C -0.082 176.029 176.094 0.028 0.000 1.043 103 V CA -1.732 60.643 62.300 0.124 0.000 0.888 103 V CB 1.535 33.504 31.823 0.244 0.000 0.995 103 V HN 0.233 nan 8.190 nan 0.000 0.429 104 I N 2.612 123.212 120.570 0.051 0.000 2.872 104 I HA 0.378 4.549 4.170 0.001 0.000 0.291 104 I C 0.513 176.610 176.117 -0.033 0.000 1.216 104 I CA 0.240 61.538 61.300 -0.003 0.000 1.424 104 I CB -0.187 37.820 38.000 0.012 0.000 1.351 104 I HN 0.819 nan 8.210 nan 0.000 0.592 105 R N 3.896 124.373 120.500 -0.039 0.000 2.297 105 R HA 0.534 4.875 4.340 0.001 0.000 0.308 105 R C -0.918 175.361 176.300 -0.035 0.000 1.029 105 R CA -0.897 55.178 56.100 -0.041 0.000 0.929 105 R CB 0.861 31.143 30.300 -0.029 0.000 1.046 105 R HN 0.735 nan 8.270 nan 0.000 0.461 106 L N 6.292 127.487 121.223 -0.047 0.000 2.325 106 L HA 0.175 4.516 4.340 0.001 0.000 0.284 106 L C 0.023 176.898 176.870 0.008 0.000 1.089 106 L CA 0.500 55.324 54.840 -0.027 0.000 0.836 106 L CB 0.725 42.753 42.059 -0.053 0.000 1.184 106 L HN 0.856 nan 8.230 nan 0.000 0.444 107 L N 3.227 124.462 121.223 0.021 0.000 2.375 107 L HA 0.292 4.633 4.340 0.001 0.000 0.215 107 L C 0.168 177.070 176.870 0.054 0.000 1.108 107 L CA 0.329 55.195 54.840 0.044 0.000 0.830 107 L CB -0.140 41.957 42.059 0.063 0.000 0.959 107 L HN 0.682 nan 8.230 nan 0.000 0.457 108 D N -2.046 118.381 120.400 0.044 0.000 2.808 108 D HA 0.260 4.900 4.640 0.001 0.000 0.294 108 D C -2.074 174.230 176.300 0.006 0.000 1.278 108 D CA -0.368 53.611 54.000 -0.035 0.000 0.756 108 D CB 1.213 41.967 40.800 -0.077 0.000 1.271 108 D HN -0.032 nan 8.370 nan 0.000 0.425 109 W N 0.705 121.711 121.300 -0.490 0.000 3.153 109 W HA 0.682 5.343 4.660 0.001 0.000 0.316 109 W C -2.165 173.946 176.519 -0.679 0.000 1.255 109 W CA -1.007 56.108 57.345 -0.384 0.000 1.192 109 W CB 0.078 29.459 29.460 -0.131 0.000 1.400 109 W HN 0.321 nan 8.180 nan 0.000 0.568 110 F N 1.380 121.444 119.950 0.189 0.000 2.591 110 F HA 0.353 4.881 4.527 0.001 0.000 0.309 110 F C -0.032 175.861 175.800 0.155 0.000 1.098 110 F CA -0.969 57.011 58.000 -0.034 0.000 0.937 110 F CB 2.516 41.488 39.000 -0.046 0.000 1.250 110 F HN 0.386 nan 8.300 nan 0.000 0.447 111 E N 2.472 122.771 120.200 0.165 0.000 2.231 111 E HA 0.685 5.036 4.350 0.001 0.000 0.277 111 E C -0.966 175.564 176.600 -0.117 0.000 0.999 111 E CA -0.580 55.735 56.400 -0.142 0.000 0.827 111 E CB 1.307 30.908 29.700 -0.164 0.000 1.101 111 E HN 0.652 nan 8.360 nan 0.000 0.393 112 R N 3.060 123.436 120.500 -0.207 0.000 2.888 112 R HA 0.301 4.642 4.340 0.001 0.000 0.266 112 R C -1.954 174.285 176.300 -0.103 0.000 1.020 112 R CA -1.808 54.234 56.100 -0.096 0.000 0.963 112 R CB 1.161 31.440 30.300 -0.035 0.000 1.197 112 R HN 0.372 nan 8.270 nan 0.000 0.481 113 P HA -0.174 nan 4.420 nan 0.000 0.217 113 P C -0.285 177.009 177.300 -0.009 0.000 1.148 113 P CA 1.550 64.636 63.100 -0.024 0.000 0.834 113 P CB 0.273 31.969 31.700 -0.008 0.000 0.783 114 D N -2.325 118.075 120.400 -0.001 0.000 2.556 114 D HA 0.145 4.786 4.640 0.001 0.000 0.237 114 D C 0.154 176.494 176.300 0.066 0.000 1.296 114 D CA 0.326 54.351 54.000 0.041 0.000 0.807 114 D CB 0.717 41.545 40.800 0.047 0.000 1.084 114 D HN 0.197 nan 8.370 nan 0.000 0.510 115 S N -0.932 114.776 115.700 0.013 0.000 2.587 115 S HA 0.621 5.091 4.470 0.001 0.000 0.269 115 S C -1.438 173.134 174.600 -0.046 0.000 1.154 115 S CA -0.834 57.415 58.200 0.083 0.000 0.824 115 S CB 1.339 64.623 63.200 0.141 0.000 1.118 115 S HN -0.113 nan 8.310 nan 0.000 0.462 116 F N 0.599 120.619 119.950 0.118 0.000 2.480 116 F HA 0.733 5.260 4.527 -0.000 0.000 0.329 116 F C -0.205 175.647 175.800 0.086 0.000 1.091 116 F CA -0.671 57.410 58.000 0.136 0.000 0.972 116 F CB 2.274 41.320 39.000 0.078 0.000 1.150 116 F HN 0.520 nan 8.300 nan 0.000 0.467 117 V N 4.645 124.727 119.914 0.281 0.000 2.495 117 V HA 0.488 4.608 4.120 0.001 0.000 0.298 117 V C -0.431 175.787 176.094 0.208 0.000 1.031 117 V CA -0.819 61.518 62.300 0.062 0.000 0.871 117 V CB 1.824 33.613 31.823 -0.056 0.000 0.988 117 V HN 0.499 nan 8.190 nan 0.000 0.432 118 L N 5.208 126.484 121.223 0.088 0.000 2.346 118 L HA 0.630 4.971 4.340 0.001 0.000 0.276 118 L C -0.971 175.914 176.870 0.026 0.000 1.006 118 L CA -0.757 54.144 54.840 0.103 0.000 0.817 118 L CB 2.129 44.220 42.059 0.053 0.000 1.272 118 L HN 0.391 nan 8.230 nan 0.000 0.421 119 I N 4.585 125.160 120.570 0.008 0.000 2.330 119 I HA 0.472 4.643 4.170 0.001 0.000 0.289 119 I C -0.107 175.985 176.117 -0.042 0.000 1.001 119 I CA -0.281 60.960 61.300 -0.097 0.000 1.193 119 I CB 1.274 39.138 38.000 -0.227 0.000 1.345 119 I HN 0.458 nan 8.210 nan 0.000 0.461 120 L N 5.161 126.361 121.223 -0.038 0.000 2.323 120 L HA 0.488 4.829 4.340 0.001 0.000 0.265 120 L C 0.577 177.441 176.870 -0.010 0.000 1.012 120 L CA -0.965 53.865 54.840 -0.017 0.000 0.820 120 L CB 1.730 43.782 42.059 -0.011 0.000 1.334 120 L HN 0.599 nan 8.230 nan 0.000 0.427 121 E N 1.331 121.526 120.200 -0.007 0.000 2.422 121 E HA 0.208 4.559 4.350 0.001 0.000 0.260 121 E C -0.470 176.126 176.600 -0.007 0.000 1.108 121 E CA -0.575 55.823 56.400 -0.003 0.000 0.943 121 E CB 0.971 30.664 29.700 -0.013 0.000 0.961 121 E HN 0.487 nan 8.360 nan 0.000 0.443 122 R N 2.403 122.902 120.500 -0.001 0.000 2.575 122 R HA 0.296 4.636 4.340 0.001 0.000 0.292 122 R C -2.725 173.570 176.300 -0.008 0.000 1.246 122 R CA -1.947 54.151 56.100 -0.004 0.000 0.973 122 R CB 1.198 31.505 30.300 0.012 0.000 1.187 122 R HN 0.438 nan 8.270 nan 0.000 0.478 123 P HA 0.055 nan 4.420 nan 0.000 0.269 123 P C -1.281 176.008 177.300 -0.019 0.000 1.215 123 P CA -0.066 63.016 63.100 -0.029 0.000 0.780 123 P CB 0.724 32.394 31.700 -0.049 0.000 0.898 124 E N 1.550 121.740 120.200 -0.016 0.000 2.307 124 E HA 0.286 4.637 4.350 0.001 0.000 0.280 124 E C -2.484 174.107 176.600 -0.014 0.000 0.900 124 E CA -1.933 54.462 56.400 -0.008 0.000 0.790 124 E CB 1.335 31.037 29.700 0.003 0.000 1.261 124 E HN 0.334 nan 8.360 nan 0.000 0.405 125 P HA 0.185 nan 4.420 nan 0.000 0.272 125 P C -0.954 176.335 177.300 -0.018 0.000 1.240 125 P CA -0.484 62.610 63.100 -0.010 0.000 0.791 125 P CB 1.149 32.843 31.700 -0.010 0.000 0.978 126 V N 0.011 119.918 119.914 -0.011 0.000 3.114 126 V HA 0.463 4.584 4.120 0.001 0.000 0.308 126 V C -1.287 174.804 176.094 -0.005 0.000 1.168 126 V CA -0.512 61.774 62.300 -0.023 0.000 1.015 126 V CB 2.258 34.063 31.823 -0.030 0.000 1.050 126 V HN 0.751 nan 8.190 nan 0.000 0.433 127 Q N 2.557 122.346 119.800 -0.018 0.000 2.309 127 Q HA 0.316 4.657 4.340 0.001 0.000 0.273 127 Q C -1.532 174.468 176.000 -0.000 0.000 1.040 127 Q CA -0.644 55.172 55.803 0.022 0.000 0.834 127 Q CB 2.070 30.862 28.738 0.090 0.000 1.345 127 Q HN 0.886 nan 8.270 nan 0.000 0.414 128 D N 3.375 123.800 120.400 0.041 0.000 2.425 128 D HA -0.004 4.637 4.640 0.001 0.000 0.247 128 D C 1.031 177.397 176.300 0.110 0.000 1.147 128 D CA 0.141 54.170 54.000 0.049 0.000 0.879 128 D CB 1.115 41.964 40.800 0.083 0.000 1.179 128 D HN 0.697 nan 8.370 nan 0.000 0.456 129 L N 4.599 125.859 121.223 0.062 0.000 2.079 129 L HA -0.220 4.121 4.340 0.001 0.000 0.210 129 L C 2.087 179.104 176.870 0.245 0.000 1.081 129 L CA 1.204 56.118 54.840 0.122 0.000 0.752 129 L CB -0.259 41.827 42.059 0.045 0.000 0.896 129 L HN 0.556 nan 8.230 nan 0.000 0.433 130 F N 1.136 121.137 119.950 0.085 0.000 2.095 130 F HA -0.298 4.231 4.527 0.002 0.000 0.298 130 F C 2.182 178.043 175.800 0.101 0.000 1.104 130 F CA 2.075 60.128 58.000 0.089 0.000 1.232 130 F CB -0.171 38.858 39.000 0.050 0.000 0.987 130 F HN 0.180 nan 8.300 nan 0.000 0.475 131 D N -0.172 120.356 120.400 0.213 0.000 2.144 131 D HA -0.195 4.446 4.640 0.001 0.000 0.200 131 D C 2.048 178.386 176.300 0.064 0.000 0.978 131 D CA 1.195 55.254 54.000 0.097 0.000 0.833 131 D CB -0.728 40.177 40.800 0.175 0.000 0.961 131 D HN 0.379 nan 8.370 nan 0.000 0.470 132 F N 1.290 121.240 119.950 0.001 0.000 2.134 132 F HA -0.094 4.434 4.527 0.001 0.000 0.299 132 F C 2.124 177.917 175.800 -0.012 0.000 1.097 132 F CA 1.098 59.110 58.000 0.020 0.000 1.264 132 F CB -0.130 38.915 39.000 0.075 0.000 1.001 132 F HN -0.157 nan 8.300 nan 0.000 0.479 133 I N -0.745 119.850 120.570 0.041 0.000 2.500 133 I HA -0.224 3.947 4.170 0.001 0.000 0.252 133 I C 2.119 178.106 176.117 -0.217 0.000 1.142 133 I CA 1.293 62.539 61.300 -0.090 0.000 1.451 133 I CB -0.575 37.433 38.000 0.013 0.000 1.093 133 I HN 0.082 nan 8.210 nan 0.000 0.430 134 T N 0.423 114.796 114.554 -0.301 0.000 2.788 134 T HA -0.215 4.136 4.350 0.001 0.000 0.268 134 T C 1.558 176.141 174.700 -0.196 0.000 1.044 134 T CA 1.651 63.563 62.100 -0.314 0.000 1.139 134 T CB -0.253 68.371 68.868 -0.406 0.000 0.867 134 T HN 0.582 nan 8.240 nan 0.000 0.454 135 E N 0.242 120.332 120.200 -0.184 0.000 2.474 135 E HA 0.129 4.480 4.350 0.001 0.000 0.195 135 E C 1.933 178.416 176.600 -0.195 0.000 1.039 135 E CA -0.020 56.289 56.400 -0.151 0.000 0.881 135 E CB 0.198 29.834 29.700 -0.106 0.000 0.970 135 E HN 0.276 nan 8.360 nan 0.000 0.486 136 R N 0.133 120.475 120.500 -0.263 0.000 2.568 136 R HA 0.190 4.531 4.340 0.001 0.000 0.254 136 R C 0.599 176.776 176.300 -0.205 0.000 0.925 136 R CA 0.711 56.640 56.100 -0.286 0.000 1.025 136 R CB 0.782 30.761 30.300 -0.535 0.000 1.428 136 R HN 0.210 nan 8.270 nan 0.000 0.573 137 G N 0.963 109.654 108.800 -0.181 0.000 2.752 137 G HA2 -0.281 3.680 3.960 0.001 0.000 0.234 137 G HA3 -0.281 3.680 3.960 0.001 0.000 0.234 137 G C -0.225 174.604 174.900 -0.119 0.000 1.367 137 G CA -0.354 44.666 45.100 -0.133 0.000 0.879 137 G HN 0.531 nan 8.290 nan 0.000 0.563 138 A N -0.602 122.159 122.820 -0.100 0.000 2.615 138 A HA 0.355 4.676 4.320 0.001 0.000 0.240 138 A C 1.080 178.618 177.584 -0.077 0.000 1.003 138 A CA 1.108 53.089 52.037 -0.093 0.000 0.778 138 A CB -0.372 18.564 19.000 -0.106 0.000 0.907 138 A HN 1.379 nan 8.150 nan 0.000 0.507 139 L N 2.691 123.885 121.223 -0.048 0.000 2.375 139 L HA 0.203 4.544 4.340 0.001 0.000 0.271 139 L C 0.833 177.672 176.870 -0.050 0.000 1.107 139 L CA -0.481 54.338 54.840 -0.034 0.000 0.806 139 L CB 0.577 42.645 42.059 0.015 0.000 1.146 139 L HN 0.782 nan 8.230 nan 0.000 0.447 140 Q N 1.505 121.270 119.800 -0.058 0.000 2.361 140 Q HA -0.017 4.323 4.340 0.001 0.000 0.276 140 Q C 0.723 176.697 176.000 -0.043 0.000 1.022 140 Q CA -0.083 55.697 55.803 -0.039 0.000 0.898 140 Q CB 0.971 29.712 28.738 0.004 0.000 1.246 140 Q HN 0.535 nan 8.270 nan 0.000 0.410 141 E N 1.982 122.199 120.200 0.029 0.000 2.097 141 E HA -0.299 4.052 4.350 0.001 0.000 0.196 141 E C 1.650 178.272 176.600 0.036 0.000 1.000 141 E CA 1.419 57.915 56.400 0.159 0.000 0.804 141 E CB 0.054 29.922 29.700 0.281 0.000 0.740 141 E HN 0.700 nan 8.360 nan 0.000 0.454 142 E N 0.797 120.957 120.200 -0.067 0.000 2.097 142 E HA -0.234 4.116 4.350 0.001 0.000 0.196 142 E C 2.163 178.599 176.600 -0.274 0.000 1.000 142 E CA 0.933 57.242 56.400 -0.152 0.000 0.804 142 E CB -0.008 29.665 29.700 -0.045 0.000 0.740 142 E HN 0.117 nan 8.360 nan 0.000 0.454 143 L N 0.589 121.537 121.223 -0.458 0.000 2.072 143 L HA 0.034 4.375 4.340 0.001 0.000 0.205 143 L C 2.230 178.787 176.870 -0.522 0.000 1.079 143 L CA 2.039 56.447 54.840 -0.719 0.000 0.752 143 L CB -0.703 40.777 42.059 -0.964 0.000 0.906 143 L HN 0.165 nan 8.230 nan 0.000 0.436 144 A N -0.220 122.479 122.820 -0.201 0.000 1.933 144 A HA -0.239 4.082 4.320 0.001 0.000 0.218 144 A C 2.538 180.278 177.584 0.259 0.000 1.175 144 A CA 1.730 53.811 52.037 0.073 0.000 0.628 144 A CB -0.645 18.466 19.000 0.185 0.000 0.814 144 A HN 0.527 nan 8.150 nan 0.000 0.444 145 R N -0.426 120.124 120.500 0.084 0.000 2.073 145 R HA -0.121 4.220 4.340 0.001 0.000 0.234 145 R C 2.480 178.831 176.300 0.086 0.000 1.134 145 R CA 1.848 57.875 56.100 -0.122 0.000 0.952 145 R CB -0.421 29.505 30.300 -0.624 0.000 0.850 145 R HN 0.479 nan 8.270 nan 0.000 0.433 146 S N -0.352 115.341 115.700 -0.012 0.000 2.370 146 S HA -0.132 4.339 4.470 0.001 0.000 0.226 146 S C 1.778 176.596 174.600 0.363 0.000 1.033 146 S CA 1.138 59.392 58.200 0.090 0.000 1.011 146 S CB -0.311 62.874 63.200 -0.025 0.000 0.852 146 S HN 0.370 nan 8.310 nan 0.000 0.457 147 F N 0.863 120.893 119.950 0.133 0.000 2.084 147 F HA 0.110 4.638 4.527 0.002 0.000 0.296 147 F C 2.099 178.042 175.800 0.238 0.000 1.111 147 F CA 0.154 58.238 58.000 0.139 0.000 1.224 147 F CB -1.665 37.396 39.000 0.102 0.000 0.991 147 F HN 0.274 nan 8.300 nan 0.000 0.471 148 F N -0.018 120.156 119.950 0.374 0.000 2.065 148 F HA -0.284 4.244 4.527 0.001 0.000 0.298 148 F C 2.576 178.542 175.800 0.277 0.000 1.112 148 F CA 1.757 59.938 58.000 0.303 0.000 1.212 148 F CB -0.931 38.300 39.000 0.384 0.000 0.975 148 F HN 0.134 nan 8.300 nan 0.000 0.476 149 W N 1.459 122.857 121.300 0.163 0.000 2.302 149 W HA -0.320 4.341 4.660 0.002 0.000 0.320 149 W C 2.204 178.713 176.519 -0.016 0.000 1.241 149 W CA 2.477 59.837 57.345 0.025 0.000 1.264 149 W CB -0.783 28.712 29.460 0.058 0.000 1.154 149 W HN 0.228 nan 8.180 nan 0.000 0.483 150 Q N -0.234 119.714 119.800 0.246 0.000 2.135 150 Q HA -0.211 4.130 4.340 0.001 0.000 0.204 150 Q C 2.172 178.152 176.000 -0.035 0.000 0.981 150 Q CA 2.279 58.145 55.803 0.104 0.000 0.856 150 Q CB -0.730 28.080 28.738 0.120 0.000 0.902 150 Q HN 0.380 nan 8.270 nan 0.000 0.425 151 V N -1.614 118.256 119.914 -0.074 0.000 2.871 151 V HA -0.109 4.012 4.120 0.001 0.000 0.256 151 V C 1.849 177.778 176.094 -0.274 0.000 1.082 151 V CA 0.980 63.195 62.300 -0.142 0.000 1.105 151 V CB -0.368 31.393 31.823 -0.103 0.000 0.713 151 V HN 0.242 nan 8.190 nan 0.000 0.473 152 L N -0.102 120.874 121.223 -0.411 0.000 2.056 152 L HA -0.036 4.305 4.340 0.001 0.000 0.207 152 L C 2.997 179.562 176.870 -0.508 0.000 1.078 152 L CA 1.785 56.315 54.840 -0.517 0.000 0.749 152 L CB -0.512 41.182 42.059 -0.609 0.000 0.901 152 L HN 0.299 nan 8.230 nan 0.000 0.433 153 E N -0.154 119.783 120.200 -0.438 0.000 2.150 153 E HA -0.181 4.170 4.350 0.001 0.000 0.193 153 E C 2.171 178.638 176.600 -0.221 0.000 0.985 153 E CA 1.280 57.487 56.400 -0.322 0.000 0.814 153 E CB -0.063 29.558 29.700 -0.132 0.000 0.752 153 E HN 0.495 nan 8.360 nan 0.000 0.466 154 A N 0.629 123.418 122.820 -0.051 0.000 1.970 154 A HA -0.035 4.286 4.320 0.001 0.000 0.216 154 A C 2.514 180.039 177.584 -0.098 0.000 1.170 154 A CA 0.672 52.755 52.037 0.076 0.000 0.645 154 A CB -0.235 18.872 19.000 0.177 0.000 0.816 154 A HN 0.105 nan 8.150 nan 0.000 0.447 155 V N -0.157 119.593 119.914 -0.275 0.000 2.379 155 V HA -0.182 3.938 4.120 0.001 0.000 0.245 155 V C 2.557 178.249 176.094 -0.670 0.000 1.044 155 V CA 2.051 64.107 62.300 -0.407 0.000 1.036 155 V CB -0.750 30.763 31.823 -0.518 0.000 0.664 155 V HN 0.629 nan 8.190 nan 0.000 0.453 156 R N -0.505 119.512 120.500 -0.806 0.000 2.103 156 R HA -0.262 4.078 4.340 0.001 0.000 0.242 156 R C 2.350 178.402 176.300 -0.412 0.000 1.142 156 R CA 2.300 57.960 56.100 -0.733 0.000 0.960 156 R CB -0.432 29.490 30.300 -0.630 0.000 0.858 156 R HN 0.721 nan 8.270 nan 0.000 0.439 157 H N -0.708 118.066 119.070 -0.492 0.000 2.293 157 H HA -0.134 4.423 4.556 0.001 0.000 0.300 157 H C 2.025 177.225 175.328 -0.213 0.000 1.082 157 H CA 2.369 58.141 56.048 -0.461 0.000 1.308 157 H CB -0.379 28.888 29.762 -0.825 0.000 1.375 157 H HN 0.271 nan 8.280 nan 0.000 0.495 158 C N 0.338 119.647 119.300 0.016 0.000 2.398 158 C HA -0.202 4.259 4.460 0.001 0.000 0.276 158 C C 2.563 177.624 174.990 0.119 0.000 1.222 158 C CA 1.478 60.572 59.018 0.127 0.000 1.746 158 C CB -1.238 26.684 27.740 0.303 0.000 2.039 158 C HN 0.715 nan 8.230 nan 0.000 0.470 159 H N 0.145 119.149 119.070 -0.109 0.000 2.387 159 H HA -0.116 4.441 4.556 0.002 0.000 0.299 159 H C 2.007 177.270 175.328 -0.107 0.000 1.090 159 H CA 1.429 57.432 56.048 -0.075 0.000 1.332 159 H CB -0.378 29.345 29.762 -0.066 0.000 1.386 159 H HN 0.670 nan 8.280 nan 0.000 0.516 160 N N 0.247 118.906 118.700 -0.068 0.000 2.272 160 N HA -0.129 4.612 4.740 0.001 0.000 0.185 160 N C 1.157 176.572 175.510 -0.158 0.000 1.014 160 N CA 0.908 53.871 53.050 -0.145 0.000 0.870 160 N CB 0.046 38.377 38.487 -0.260 0.000 0.975 160 N HN 0.247 nan 8.380 nan 0.000 0.433 161 C N 0.095 119.287 119.300 -0.179 0.000 2.673 161 C HA 0.327 4.788 4.460 0.001 0.000 0.274 161 C C 1.562 176.510 174.990 -0.071 0.000 1.276 161 C CA -0.192 58.741 59.018 -0.143 0.000 1.701 161 C CB -0.927 26.711 27.740 -0.169 0.000 1.836 161 C HN 0.629 nan 8.230 nan 0.000 0.596 162 G N 0.988 109.760 108.800 -0.046 0.000 2.147 162 G HA2 -0.197 3.763 3.960 0.001 0.000 0.244 162 G HA3 -0.197 3.763 3.960 0.001 0.000 0.244 162 G C -0.106 174.787 174.900 -0.012 0.000 1.005 162 G CA 0.393 45.476 45.100 -0.028 0.000 0.713 162 G HN 0.429 nan 8.290 nan 0.000 0.515 163 V N 1.288 121.208 119.914 0.011 0.000 2.459 163 V HA 0.686 4.806 4.120 0.001 0.000 0.295 163 V C 0.331 176.485 176.094 0.100 0.000 1.029 163 V CA -0.939 61.401 62.300 0.066 0.000 0.874 163 V CB 2.025 33.910 31.823 0.103 0.000 0.985 163 V HN 0.317 nan 8.190 nan 0.000 0.438 164 L N 4.395 125.666 121.223 0.081 0.000 2.316 164 L HA 0.442 4.783 4.340 0.001 0.000 0.280 164 L C 1.142 178.068 176.870 0.094 0.000 1.006 164 L CA -0.429 54.444 54.840 0.056 0.000 0.836 164 L CB 1.350 43.379 42.059 -0.049 0.000 1.221 164 L HN 0.839 nan 8.230 nan 0.000 0.418 165 H N 5.779 124.867 119.070 0.030 0.000 2.293 165 H HA -0.095 4.462 4.556 0.002 0.000 0.300 165 H C 0.688 175.906 175.328 -0.183 0.000 1.082 165 H CA 2.163 58.109 56.048 -0.169 0.000 1.308 165 H CB 0.552 30.121 29.762 -0.321 0.000 1.375 165 H HN 0.743 nan 8.280 nan 0.000 0.495 166 R N -0.752 119.800 120.500 0.087 0.000 3.922 166 R HA -0.184 4.157 4.340 0.001 0.000 0.447 166 R C -0.510 175.796 176.300 0.010 0.000 1.035 166 R CA 1.175 57.273 56.100 -0.003 0.000 1.289 166 R CB -1.391 28.820 30.300 -0.148 0.000 1.906 166 R HN 0.332 nan 8.270 nan 0.000 0.540 167 D N 0.034 120.573 120.400 0.232 0.000 3.078 167 D HA 0.258 4.898 4.640 0.001 0.000 0.363 167 D C -0.466 175.792 176.300 -0.070 0.000 1.391 167 D CA -0.278 53.761 54.000 0.065 0.000 0.754 167 D CB 0.380 41.144 40.800 -0.060 0.000 1.238 167 D HN 0.155 nan 8.370 nan 0.000 0.500 168 I N 2.346 122.816 120.570 -0.167 0.000 2.587 168 I HA 0.111 4.282 4.170 0.001 0.000 0.284 168 I C 0.592 176.537 176.117 -0.287 0.000 1.134 168 I CA 0.595 61.701 61.300 -0.324 0.000 1.410 168 I CB 0.176 38.074 38.000 -0.169 0.000 1.392 168 I HN 0.092 nan 8.210 nan 0.000 0.545 169 K N 4.242 124.438 120.400 -0.339 0.000 2.685 169 K HA 0.142 4.463 4.320 0.001 0.000 0.290 169 K C -0.359 176.149 176.600 -0.152 0.000 1.018 169 K CA -0.701 55.340 56.287 -0.409 0.000 0.860 169 K CB 0.872 32.697 32.500 -1.125 0.000 1.498 169 K HN 0.397 nan 8.250 nan 0.000 0.390 170 D N 1.154 121.575 120.400 0.034 0.000 2.158 170 D HA -0.241 4.400 4.640 0.001 0.000 0.197 170 D C 1.015 177.361 176.300 0.077 0.000 0.995 170 D CA 1.886 55.959 54.000 0.123 0.000 0.846 170 D CB -0.255 40.711 40.800 0.277 0.000 0.941 170 D HN 0.695 nan 8.370 nan 0.000 0.456 171 E N 0.010 120.215 120.200 0.009 0.000 2.153 171 E HA -0.100 4.251 4.350 0.001 0.000 0.194 171 E C 1.021 177.538 176.600 -0.138 0.000 0.988 171 E CA 0.822 57.173 56.400 -0.082 0.000 0.811 171 E CB -0.197 29.366 29.700 -0.228 0.000 0.746 171 E HN 0.263 nan 8.360 nan 0.000 0.466 172 N N 0.424 119.022 118.700 -0.169 0.000 2.313 172 N HA 0.155 4.895 4.740 0.001 0.000 0.207 172 N C -0.545 174.862 175.510 -0.172 0.000 1.141 172 N CA 0.383 53.321 53.050 -0.187 0.000 0.830 172 N CB 0.490 38.859 38.487 -0.196 0.000 1.008 172 N HN 0.129 nan 8.380 nan 0.000 0.481 173 I N 1.134 121.622 120.570 -0.136 0.000 2.447 173 I HA 0.285 4.456 4.170 0.001 0.000 0.287 173 I C -0.383 175.653 176.117 -0.135 0.000 1.023 173 I CA -0.589 60.627 61.300 -0.140 0.000 1.083 173 I CB 1.953 39.870 38.000 -0.138 0.000 1.245 173 I HN -0.306 nan 8.210 nan 0.000 0.434 174 L N 6.546 127.682 121.223 -0.146 0.000 2.343 174 L HA 0.589 4.930 4.340 0.001 0.000 0.275 174 L C -0.422 176.317 176.870 -0.217 0.000 1.056 174 L CA -0.774 53.979 54.840 -0.145 0.000 0.804 174 L CB 1.589 43.581 42.059 -0.110 0.000 1.203 174 L HN 0.439 nan 8.230 nan 0.000 0.440 175 I N 1.062 121.497 120.570 -0.225 0.000 2.378 175 I HA 0.191 4.361 4.170 0.001 0.000 0.291 175 I C -0.433 175.579 176.117 -0.174 0.000 0.992 175 I CA -0.541 60.584 61.300 -0.292 0.000 1.154 175 I CB 1.717 39.471 38.000 -0.410 0.000 1.315 175 I HN 0.478 nan 8.210 nan 0.000 0.448 176 D N 6.885 127.192 120.400 -0.155 0.000 2.393 176 D HA 0.182 4.823 4.640 0.001 0.000 0.232 176 D C 0.877 177.130 176.300 -0.078 0.000 1.192 176 D CA -0.040 53.901 54.000 -0.098 0.000 0.882 176 D CB 1.017 41.763 40.800 -0.089 0.000 1.038 176 D HN 0.481 nan 8.370 nan 0.000 0.499 177 L N 3.095 124.280 121.223 -0.062 0.000 2.275 177 L HA -0.097 4.243 4.340 0.001 0.000 0.215 177 L C 1.898 178.735 176.870 -0.055 0.000 1.119 177 L CA 0.706 55.520 54.840 -0.044 0.000 0.790 177 L CB -0.284 41.760 42.059 -0.025 0.000 0.919 177 L HN 0.407 nan 8.230 nan 0.000 0.443 178 N N -0.344 118.321 118.700 -0.059 0.000 2.207 178 N HA -0.068 4.673 4.740 0.001 0.000 0.182 178 N C 1.723 177.235 175.510 0.003 0.000 1.020 178 N CA 0.579 53.593 53.050 -0.060 0.000 0.858 178 N CB 0.153 38.614 38.487 -0.043 0.000 0.991 178 N HN 0.258 nan 8.380 nan 0.000 0.427 179 R N 0.068 120.568 120.500 -0.001 0.000 2.254 179 R HA 0.138 4.479 4.340 0.001 0.000 0.195 179 R C 0.887 177.205 176.300 0.031 0.000 0.957 179 R CA 0.564 56.673 56.100 0.015 0.000 1.024 179 R CB 0.242 30.532 30.300 -0.016 0.000 0.952 179 R HN 0.233 nan 8.270 nan 0.000 0.484 180 G N 2.301 111.118 108.800 0.028 0.000 2.198 180 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 180 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 180 G C -0.393 174.522 174.900 0.024 0.000 1.025 180 G CA 0.296 45.436 45.100 0.066 0.000 0.769 180 G HN 0.400 nan 8.290 nan 0.000 0.507 181 E N -0.448 119.720 120.200 -0.054 0.000 2.191 181 E HA 0.586 4.937 4.350 0.001 0.000 0.278 181 E C 0.641 177.128 176.600 -0.188 0.000 0.972 181 E CA -0.728 55.610 56.400 -0.102 0.000 0.804 181 E CB 1.329 30.962 29.700 -0.112 0.000 1.110 181 E HN 0.310 nan 8.360 nan 0.000 0.394 182 L N 2.998 124.085 121.223 -0.226 0.000 2.357 182 L HA 0.417 4.758 4.340 0.001 0.000 0.273 182 L C 0.106 176.858 176.870 -0.197 0.000 1.080 182 L CA -0.736 53.938 54.840 -0.276 0.000 0.803 182 L CB 0.553 42.418 42.059 -0.323 0.000 1.174 182 L HN 0.272 nan 8.230 nan 0.000 0.443 183 K N 3.167 123.465 120.400 -0.171 0.000 2.426 183 K HA 0.422 4.743 4.320 0.001 0.000 0.254 183 K C -1.023 175.530 176.600 -0.078 0.000 0.936 183 K CA -0.977 55.242 56.287 -0.113 0.000 0.801 183 K CB 2.707 35.150 32.500 -0.095 0.000 1.139 183 K HN 0.261 nan 8.250 nan 0.000 0.424 184 L N 5.097 126.309 121.223 -0.018 0.000 2.367 184 L HA 0.381 4.722 4.340 0.001 0.000 0.275 184 L C -0.086 176.851 176.870 0.112 0.000 1.129 184 L CA 0.011 54.844 54.840 -0.012 0.000 0.839 184 L CB 0.008 42.081 42.059 0.022 0.000 1.133 184 L HN 0.639 nan 8.230 nan 0.000 0.453 185 I N 0.393 120.978 120.570 0.026 0.000 3.145 185 I HA 0.601 4.772 4.170 0.001 0.000 0.313 185 I C -0.799 175.345 176.117 0.045 0.000 1.122 185 I CA -0.987 60.369 61.300 0.094 0.000 0.987 185 I CB 1.931 39.913 38.000 -0.029 0.000 1.236 185 I HN 0.546 nan 8.210 nan 0.000 0.453 186 D N 1.781 122.220 120.400 0.066 0.000 3.515 186 D HA -0.201 4.440 4.640 0.001 0.000 0.247 186 D C -0.753 175.398 176.300 -0.247 0.000 1.084 186 D CA 0.580 54.541 54.000 -0.066 0.000 1.030 186 D CB -0.860 39.827 40.800 -0.188 0.000 0.946 186 D HN 0.577 nan 8.370 nan 0.000 0.420 187 F N 0.180 119.978 119.950 -0.254 0.000 2.664 187 F HA 0.344 4.871 4.527 0.001 0.000 0.301 187 F C 2.337 177.939 175.800 -0.330 0.000 1.126 187 F CA 0.350 58.117 58.000 -0.389 0.000 1.373 187 F CB 0.412 39.265 39.000 -0.246 0.000 1.042 187 F HN 0.364 nan 8.300 nan 0.000 0.535 188 G N -0.751 107.954 108.800 -0.158 0.000 2.498 188 G HA2 -0.164 3.797 3.960 0.001 0.000 0.219 188 G HA3 -0.164 3.797 3.960 0.001 0.000 0.219 188 G C 1.385 176.167 174.900 -0.198 0.000 1.119 188 G CA 0.925 45.931 45.100 -0.156 0.000 0.766 188 G HN 0.350 nan 8.290 nan 0.000 0.552 189 S N -0.213 115.328 115.700 -0.265 0.000 2.578 189 S HA 0.373 4.843 4.470 0.001 0.000 0.231 189 S C 1.377 175.823 174.600 -0.257 0.000 0.994 189 S CA -0.150 57.888 58.200 -0.270 0.000 0.956 189 S CB 0.889 63.891 63.200 -0.331 0.000 0.870 189 S HN 0.522 nan 8.310 nan 0.000 0.494 190 G N 1.457 110.110 108.800 -0.244 0.000 2.631 190 G HA2 0.636 4.597 3.960 0.001 0.000 0.271 190 G HA3 0.636 4.597 3.960 0.001 0.000 0.271 190 G C -0.327 174.529 174.900 -0.074 0.000 1.302 190 G CA 0.132 45.137 45.100 -0.158 0.000 1.002 190 G HN 0.589 nan 8.290 nan 0.000 0.519 191 A N -1.588 121.222 122.820 -0.017 0.000 2.612 191 A HA 0.552 4.873 4.320 0.001 0.000 0.293 191 A C -0.985 176.640 177.584 0.067 0.000 1.075 191 A CA -0.718 51.345 52.037 0.043 0.000 0.680 191 A CB 0.990 20.059 19.000 0.114 0.000 1.279 191 A HN 0.626 nan 8.150 nan 0.000 0.411 192 L N 1.176 122.444 121.223 0.074 0.000 2.490 192 L HA 0.165 4.505 4.340 0.001 0.000 0.274 192 L C 0.448 177.384 176.870 0.110 0.000 1.201 192 L CA 0.062 54.938 54.840 0.059 0.000 0.869 192 L CB -0.234 41.845 42.059 0.032 0.000 1.123 192 L HN 0.731 nan 8.230 nan 0.000 0.484 193 L N 5.098 126.357 121.223 0.059 0.000 2.453 193 L HA 0.258 4.599 4.340 0.001 0.000 0.272 193 L C 0.162 177.077 176.870 0.075 0.000 1.182 193 L CA 0.394 55.273 54.840 0.064 0.000 0.858 193 L CB -0.048 41.975 42.059 -0.060 0.000 1.120 193 L HN 0.817 nan 8.230 nan 0.000 0.474 194 K N 1.942 122.413 120.400 0.119 0.000 2.533 194 K HA 0.520 4.841 4.320 0.001 0.000 0.272 194 K C -0.713 175.906 176.600 0.031 0.000 0.985 194 K CA -0.807 55.483 56.287 0.005 0.000 0.876 194 K CB 1.286 33.712 32.500 -0.123 0.000 1.452 194 K HN 0.322 nan 8.250 nan 0.000 0.439 195 D N 0.750 121.157 120.400 0.012 0.000 2.379 195 D HA 0.000 4.641 4.640 0.001 0.000 0.208 195 D C 0.052 176.411 176.300 0.098 0.000 1.065 195 D CA 0.484 54.529 54.000 0.076 0.000 0.848 195 D CB 0.525 41.357 40.800 0.053 0.000 0.949 195 D HN 0.730 nan 8.370 nan 0.000 0.509 196 T N -1.115 113.413 114.554 -0.043 0.000 2.824 196 T HA 0.424 4.775 4.350 0.001 0.000 0.277 196 T C 0.793 175.296 174.700 -0.328 0.000 0.975 196 T CA -0.848 61.192 62.100 -0.101 0.000 0.966 196 T CB 1.593 70.377 68.868 -0.141 0.000 1.054 196 T HN -0.246 nan 8.240 nan 0.000 0.533 197 V N 0.629 120.302 119.914 -0.402 0.000 2.924 197 V HA 0.203 4.324 4.120 0.001 0.000 0.305 197 V C -0.565 175.172 176.094 -0.595 0.000 1.073 197 V CA -0.572 61.361 62.300 -0.611 0.000 1.098 197 V CB -0.672 30.904 31.823 -0.411 0.000 1.000 197 V HN 0.755 nan 8.190 nan 0.000 0.484 198 Y N 1.242 121.207 120.300 -0.557 0.000 2.342 198 Y HA 0.446 4.996 4.550 0.001 0.000 0.334 198 Y C 1.229 176.895 175.900 -0.389 0.000 1.067 198 Y CA -0.241 57.511 58.100 -0.581 0.000 1.128 198 Y CB 1.886 39.674 38.460 -1.121 0.000 1.200 198 Y HN 0.754 nan 8.280 nan 0.000 0.464 199 T N -2.949 111.628 114.554 0.040 0.000 3.084 199 T HA 0.127 4.478 4.350 0.001 0.000 0.270 199 T C -0.461 174.514 174.700 0.457 0.000 1.008 199 T CA -0.375 61.875 62.100 0.251 0.000 0.900 199 T CB -0.205 68.749 68.868 0.142 0.000 1.084 199 T HN 0.623 nan 8.240 nan 0.000 0.538 200 D N 0.472 121.084 120.400 0.353 0.000 2.481 200 D HA 0.467 5.108 4.640 0.001 0.000 0.244 200 D C -1.508 174.907 176.300 0.191 0.000 1.057 200 D CA -0.865 53.342 54.000 0.345 0.000 0.848 200 D CB 2.083 43.013 40.800 0.218 0.000 1.388 200 D HN 0.140 nan 8.370 nan 0.000 0.475 201 F N 1.354 121.147 119.950 -0.263 0.000 2.585 201 F HA 0.289 4.817 4.527 0.000 0.000 0.319 201 F C -0.406 175.226 175.800 -0.279 0.000 1.165 201 F CA -0.687 56.960 58.000 -0.589 0.000 0.949 201 F CB 2.027 39.935 39.000 -1.819 0.000 1.218 201 F HN 0.177 nan 8.300 nan 0.000 0.453 202 D N 3.108 123.034 120.400 -0.789 0.000 2.422 202 D HA 0.151 4.792 4.640 0.001 0.000 0.218 202 D C 1.385 177.220 176.300 -0.774 0.000 1.047 202 D CA 0.430 54.101 54.000 -0.549 0.000 0.885 202 D CB 0.284 40.895 40.800 -0.314 0.000 1.035 202 D HN 0.680 nan 8.370 nan 0.000 0.502 203 G N 0.878 108.858 108.800 -1.367 0.000 2.597 203 G HA2 0.099 4.059 3.960 0.001 0.000 0.283 203 G HA3 0.099 4.059 3.960 0.001 0.000 0.283 203 G C 0.318 174.944 174.900 -0.457 0.000 1.319 203 G CA 0.110 44.665 45.100 -0.909 0.000 1.054 203 G HN 0.155 nan 8.290 nan 0.000 0.583 204 T N -2.355 112.156 114.554 -0.070 0.000 2.869 204 T HA 0.224 4.575 4.350 0.001 0.000 0.295 204 T C 1.466 176.388 174.700 0.370 0.000 0.987 204 T CA -0.085 62.095 62.100 0.135 0.000 1.109 204 T CB 1.264 70.186 68.868 0.090 0.000 0.932 204 T HN 0.598 nan 8.240 nan 0.000 0.518 205 R N 2.684 123.378 120.500 0.323 0.000 2.070 205 R HA -0.062 4.278 4.340 0.001 0.000 0.232 205 R C 2.367 178.828 176.300 0.267 0.000 1.138 205 R CA 2.169 58.461 56.100 0.319 0.000 0.936 205 R CB -0.916 29.533 30.300 0.249 0.000 0.839 205 R HN 0.762 nan 8.270 nan 0.000 0.429 206 V N -1.501 118.564 119.914 0.252 0.000 3.140 206 V HA -0.151 3.970 4.120 0.001 0.000 0.269 206 V C 1.055 177.272 176.094 0.205 0.000 1.149 206 V CA 1.375 63.794 62.300 0.198 0.000 1.162 206 V CB -0.870 31.031 31.823 0.130 0.000 0.756 206 V HN 0.324 nan 8.190 nan 0.000 0.523 207 Y N 1.430 121.859 120.300 0.215 0.000 2.458 207 Y HA 0.379 4.929 4.550 0.001 0.000 0.256 207 Y C 1.577 177.648 175.900 0.285 0.000 1.159 207 Y CA 0.191 58.444 58.100 0.254 0.000 1.261 207 Y CB 0.303 38.876 38.460 0.189 0.000 1.119 207 Y HN 0.459 nan 8.280 nan 0.000 0.524 208 S N 1.505 117.343 115.700 0.230 0.000 2.554 208 S HA 0.478 4.949 4.470 0.001 0.000 0.278 208 S C -2.759 171.605 174.600 -0.394 0.000 1.242 208 S CA -1.693 56.369 58.200 -0.229 0.000 1.051 208 S CB 1.717 64.543 63.200 -0.624 0.000 0.986 208 S HN -0.072 nan 8.310 nan 0.000 0.502 209 P HA 0.308 nan 4.420 nan 0.000 0.274 209 P C -2.220 174.518 177.300 -0.935 0.000 1.246 209 P CA -1.637 60.569 63.100 -1.489 0.000 0.795 209 P CB -0.141 30.986 31.700 -0.955 0.000 1.006 210 P HA -0.177 nan 4.420 nan 0.000 0.218 210 P C 1.171 178.221 177.300 -0.416 0.000 1.148 210 P CA 1.641 64.381 63.100 -0.600 0.000 0.822 210 P CB -0.111 31.280 31.700 -0.516 0.000 0.784 211 E N -1.070 118.953 120.200 -0.295 0.000 2.085 211 E HA -0.201 4.149 4.350 0.001 0.000 0.194 211 E C 1.915 178.482 176.600 -0.054 0.000 0.994 211 E CA 1.030 57.391 56.400 -0.065 0.000 0.801 211 E CB -1.170 28.598 29.700 0.114 0.000 0.743 211 E HN 0.429 nan 8.360 nan 0.000 0.453 212 W N 1.320 122.424 121.300 -0.327 0.000 2.381 212 W HA -0.200 4.459 4.660 -0.000 0.000 0.321 212 W C 1.520 177.743 176.519 -0.493 0.000 1.196 212 W CA 0.949 58.072 57.345 -0.369 0.000 1.304 212 W CB -0.137 28.954 29.460 -0.615 0.000 1.166 212 W HN -0.014 nan 8.180 nan 0.000 0.473 213 I N 1.439 121.694 120.570 -0.525 0.000 2.091 213 I HA -0.359 3.812 4.170 0.001 0.000 0.240 213 I C 2.507 178.282 176.117 -0.570 0.000 1.046 213 I CA 1.999 62.966 61.300 -0.555 0.000 1.306 213 I CB -1.764 36.029 38.000 -0.345 0.000 1.018 213 I HN 0.129 nan 8.210 nan 0.000 0.404 214 R N -1.158 118.996 120.500 -0.577 0.000 2.093 214 R HA -0.117 4.224 4.340 0.001 0.000 0.224 214 R C 1.507 177.430 176.300 -0.628 0.000 1.101 214 R CA 1.250 56.915 56.100 -0.725 0.000 0.979 214 R CB 0.015 29.619 30.300 -1.159 0.000 0.877 214 R HN 0.387 nan 8.270 nan 0.000 0.441 215 Y N -2.184 118.020 120.300 -0.159 0.000 2.499 215 Y HA 0.246 4.796 4.550 0.000 0.000 0.253 215 Y C -0.142 175.742 175.900 -0.026 0.000 1.105 215 Y CA -0.792 57.272 58.100 -0.060 0.000 1.240 215 Y CB 0.104 38.550 38.460 -0.022 0.000 1.289 215 Y HN 0.054 nan 8.280 nan 0.000 0.534 216 H N 0.510 119.416 119.070 -0.274 0.000 2.741 216 H HA -0.175 4.383 4.556 0.003 0.000 0.305 216 H C -0.201 175.221 175.328 0.157 0.000 1.169 216 H CA 1.036 56.783 56.048 -0.502 0.000 1.144 216 H CB -0.928 28.483 29.762 -0.584 0.000 1.397 216 H HN 0.401 nan 8.280 nan 0.000 0.409 217 R N 0.059 120.781 120.500 0.370 0.000 2.673 217 R HA 0.528 4.869 4.340 0.001 0.000 0.281 217 R C -0.869 175.666 176.300 0.392 0.000 0.991 217 R CA -0.765 55.521 56.100 0.310 0.000 0.896 217 R CB 2.266 32.662 30.300 0.159 0.000 1.201 217 R HN 0.198 nan 8.270 nan 0.000 0.457 218 Y N -2.015 118.395 120.300 0.184 0.000 2.670 218 Y HA 0.510 5.061 4.550 0.001 0.000 0.334 218 Y C -1.167 174.771 175.900 0.064 0.000 1.185 218 Y CA -1.272 56.913 58.100 0.142 0.000 1.053 218 Y CB 1.394 39.923 38.460 0.115 0.000 1.298 218 Y HN 0.387 nan 8.280 nan 0.000 0.459 219 H N 0.159 119.446 119.070 0.361 0.000 2.529 219 H HA 0.333 4.890 4.556 0.002 0.000 0.348 219 H C 0.473 176.044 175.328 0.405 0.000 1.152 219 H CA -0.236 56.007 56.048 0.324 0.000 1.202 219 H CB 2.294 32.169 29.762 0.187 0.000 1.562 219 H HN 1.088 nan 8.280 nan 0.000 0.515 220 G N 1.824 110.931 108.800 0.511 0.000 2.480 220 G HA2 -0.238 3.723 3.960 0.001 0.000 0.216 220 G HA3 -0.238 3.723 3.960 0.001 0.000 0.216 220 G C 1.614 176.682 174.900 0.281 0.000 1.200 220 G CA 0.357 45.645 45.100 0.314 0.000 0.782 220 G HN 0.525 nan 8.290 nan 0.000 0.554 221 R N 0.699 121.365 120.500 0.277 0.000 2.083 221 R HA -0.098 4.243 4.340 0.001 0.000 0.237 221 R C 3.122 179.514 176.300 0.152 0.000 1.137 221 R CA 1.824 58.096 56.100 0.286 0.000 0.951 221 R CB -0.536 29.897 30.300 0.222 0.000 0.851 221 R HN 0.539 nan 8.270 nan 0.000 0.434 222 S N 0.574 116.361 115.700 0.145 0.000 2.423 222 S HA -0.028 4.442 4.470 0.001 0.000 0.231 222 S C 2.180 176.876 174.600 0.161 0.000 1.014 222 S CA 0.844 59.107 58.200 0.106 0.000 0.965 222 S CB -0.039 63.230 63.200 0.116 0.000 0.785 222 S HN 0.372 nan 8.310 nan 0.000 0.495 223 A N 1.944 124.880 122.820 0.194 0.000 1.929 223 A HA 0.452 4.773 4.320 0.001 0.000 0.216 223 A C 2.494 180.187 177.584 0.181 0.000 1.176 223 A CA 1.327 53.443 52.037 0.132 0.000 0.628 223 A CB -1.326 17.683 19.000 0.015 0.000 0.816 223 A HN 0.772 nan 8.150 nan 0.000 0.444 224 A N -0.472 122.473 122.820 0.209 0.000 1.902 224 A HA -0.005 4.315 4.320 0.001 0.000 0.217 224 A C 2.206 179.918 177.584 0.213 0.000 1.181 224 A CA 1.749 53.934 52.037 0.246 0.000 0.623 224 A CB -0.881 18.357 19.000 0.396 0.000 0.818 224 A HN 0.351 nan 8.150 nan 0.000 0.443 225 V N -0.970 119.019 119.914 0.125 0.000 2.343 225 V HA -0.257 3.864 4.120 0.001 0.000 0.247 225 V C 2.237 178.411 176.094 0.133 0.000 1.051 225 V CA 1.779 64.101 62.300 0.036 0.000 1.036 225 V CB -0.868 30.867 31.823 -0.147 0.000 0.654 225 V HN 0.859 nan 8.190 nan 0.000 0.451 226 W N 1.595 122.908 121.300 0.022 0.000 2.317 226 W HA -0.294 4.368 4.660 0.002 0.000 0.318 226 W C 2.803 179.368 176.519 0.077 0.000 1.227 226 W CA 2.832 60.202 57.345 0.040 0.000 1.269 226 W CB -0.659 28.813 29.460 0.020 0.000 1.155 226 W HN 0.501 nan 8.180 nan 0.000 0.484 227 S N 0.595 116.494 115.700 0.332 0.000 2.399 227 S HA -0.214 4.257 4.470 0.001 0.000 0.231 227 S C 1.868 176.592 174.600 0.207 0.000 1.022 227 S CA 1.298 59.682 58.200 0.306 0.000 0.983 227 S CB -0.894 62.521 63.200 0.358 0.000 0.803 227 S HN 0.136 nan 8.310 nan 0.000 0.480 228 L N 2.415 123.749 121.223 0.185 0.000 2.046 228 L HA 0.151 4.492 4.340 0.001 0.000 0.208 228 L C 2.787 179.778 176.870 0.200 0.000 1.077 228 L CA 1.681 56.677 54.840 0.261 0.000 0.747 228 L CB -1.830 40.393 42.059 0.273 0.000 0.896 228 L HN 0.499 nan 8.230 nan 0.000 0.432 229 G N -0.484 108.315 108.800 -0.001 0.000 2.422 229 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 229 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 229 G C 1.552 176.296 174.900 -0.260 0.000 1.146 229 G CA 0.604 45.599 45.100 -0.174 0.000 0.769 229 G HN 0.276 nan 8.290 nan 0.000 0.547 230 I N 0.507 120.884 120.570 -0.322 0.000 2.226 230 I HA -0.076 4.094 4.170 0.001 0.000 0.245 230 I C 2.622 178.667 176.117 -0.121 0.000 1.100 230 I CA 0.729 61.807 61.300 -0.369 0.000 1.374 230 I CB -1.091 36.590 38.000 -0.531 0.000 1.057 230 I HN 0.172 nan 8.210 nan 0.000 0.413 231 L N 0.710 121.987 121.223 0.089 0.000 2.017 231 L HA -0.161 4.180 4.340 0.001 0.000 0.208 231 L C 2.392 179.311 176.870 0.081 0.000 1.073 231 L CA 1.655 56.618 54.840 0.205 0.000 0.745 231 L CB -0.740 41.501 42.059 0.303 0.000 0.894 231 L HN 0.107 nan 8.230 nan 0.000 0.432 232 L N -1.609 119.570 121.223 -0.073 0.000 2.012 232 L HA -0.291 4.050 4.340 0.001 0.000 0.210 232 L C 2.576 179.317 176.870 -0.215 0.000 1.073 232 L CA 1.995 56.629 54.840 -0.342 0.000 0.748 232 L CB -0.509 41.090 42.059 -0.767 0.000 0.891 232 L HN 0.444 nan 8.230 nan 0.000 0.431 233 Y N 0.998 121.129 120.300 -0.281 0.000 2.097 233 Y HA -0.375 4.176 4.550 0.002 0.000 0.282 233 Y C 2.360 178.148 175.900 -0.188 0.000 1.152 233 Y CA 2.291 60.235 58.100 -0.260 0.000 1.136 233 Y CB -0.361 37.864 38.460 -0.392 0.000 0.975 233 Y HN 0.380 nan 8.280 nan 0.000 0.498 234 D N -0.319 120.119 120.400 0.063 0.000 2.123 234 D HA -0.252 4.389 4.640 0.001 0.000 0.196 234 D C 2.164 178.458 176.300 -0.010 0.000 0.992 234 D CA 1.995 56.026 54.000 0.051 0.000 0.833 234 D CB -0.282 40.595 40.800 0.128 0.000 0.954 234 D HN 0.468 nan 8.370 nan 0.000 0.455 235 M N -0.391 119.212 119.600 0.006 0.000 2.065 235 M HA -0.148 4.333 4.480 0.001 0.000 0.259 235 M C 2.224 178.492 176.300 -0.054 0.000 1.069 235 M CA 1.684 57.004 55.300 0.032 0.000 1.110 235 M CB -0.121 32.532 32.600 0.088 0.000 1.328 235 M HN 0.159 nan 8.290 nan 0.000 0.405 236 V N -4.542 115.278 119.914 -0.157 0.000 3.406 236 V HA -0.032 4.089 4.120 0.001 0.000 0.263 236 V C 1.439 177.385 176.094 -0.247 0.000 1.172 236 V CA 0.673 62.858 62.300 -0.191 0.000 1.140 236 V CB -0.586 31.090 31.823 -0.244 0.000 0.784 236 V HN 0.534 nan 8.190 nan 0.000 0.467 237 C N 0.618 119.715 119.300 -0.338 0.000 3.230 237 C HA 0.689 5.150 4.460 0.001 0.000 0.300 237 C C 2.182 177.056 174.990 -0.194 0.000 1.292 237 C CA 0.432 59.238 59.018 -0.353 0.000 1.707 237 C CB -0.208 27.096 27.740 -0.727 0.000 2.181 237 C HN 0.915 nan 8.230 nan 0.000 0.655 238 G N 0.998 109.715 108.800 -0.139 0.000 2.225 238 G HA2 -0.176 3.785 3.960 0.001 0.000 0.254 238 G HA3 -0.176 3.785 3.960 0.001 0.000 0.254 238 G C -0.361 174.511 174.900 -0.047 0.000 0.988 238 G CA 0.736 45.784 45.100 -0.086 0.000 0.625 238 G HN 0.489 nan 8.290 nan 0.000 0.527 239 D N -0.909 119.480 120.400 -0.018 0.000 2.596 239 D HA 0.547 5.188 4.640 0.001 0.000 0.262 239 D C 0.162 176.533 176.300 0.117 0.000 1.210 239 D CA -0.768 53.260 54.000 0.047 0.000 0.873 239 D CB 0.975 41.800 40.800 0.041 0.000 1.408 239 D HN -0.021 nan 8.370 nan 0.000 0.441 240 I N 2.657 123.256 120.570 0.049 0.000 2.754 240 I HA 0.105 4.276 4.170 0.001 0.000 0.285 240 I C -1.011 174.935 176.117 -0.286 0.000 1.166 240 I CA -1.526 59.708 61.300 -0.111 0.000 1.417 240 I CB 0.087 37.992 38.000 -0.159 0.000 1.382 240 I HN 0.315 nan 8.210 nan 0.000 0.588 241 P HA -0.003 nan 4.420 nan 0.000 0.221 241 P C -0.258 176.490 177.300 -0.920 0.000 1.155 241 P CA 1.124 63.366 63.100 -1.430 0.000 0.812 241 P CB 0.308 30.541 31.700 -2.445 0.000 0.801 242 F N -0.360 119.403 119.950 -0.311 0.000 2.520 242 F HA 0.388 4.916 4.527 0.001 0.000 0.322 242 F C 1.378 177.073 175.800 -0.174 0.000 1.103 242 F CA -0.895 56.992 58.000 -0.189 0.000 0.926 242 F CB 1.380 40.313 39.000 -0.111 0.000 1.154 242 F HN -0.337 nan 8.300 nan 0.000 0.453 243 E N 0.668 120.843 120.200 -0.041 0.000 2.244 243 E HA 0.084 4.434 4.350 0.001 0.000 0.196 243 E C -0.214 176.180 176.600 -0.344 0.000 0.939 243 E CA 0.624 56.854 56.400 -0.283 0.000 0.884 243 E CB 0.209 29.579 29.700 -0.549 0.000 0.850 243 E HN 0.710 nan 8.360 nan 0.000 0.481 244 H N -0.169 118.948 119.070 0.078 0.000 2.731 244 H HA 0.188 4.744 4.556 0.001 0.000 0.368 244 H C 0.327 175.655 175.328 -0.001 0.000 1.168 244 H CA -0.804 55.266 56.048 0.038 0.000 1.181 244 H CB 1.477 31.251 29.762 0.021 0.000 1.743 244 H HN -0.242 nan 8.280 nan 0.000 0.547 245 D N 1.040 121.510 120.400 0.116 0.000 2.133 245 D HA -0.202 4.438 4.640 0.001 0.000 0.192 245 D C 1.838 178.102 176.300 -0.059 0.000 1.001 245 D CA 1.556 55.554 54.000 -0.003 0.000 0.844 245 D CB 0.063 40.850 40.800 -0.021 0.000 0.944 245 D HN 0.705 nan 8.370 nan 0.000 0.447 246 E N 1.118 121.304 120.200 -0.023 0.000 2.153 246 E HA -0.185 4.166 4.350 0.001 0.000 0.194 246 E C 1.847 178.398 176.600 -0.083 0.000 0.988 246 E CA 0.766 57.132 56.400 -0.057 0.000 0.811 246 E CB -0.596 29.084 29.700 -0.034 0.000 0.746 246 E HN 0.435 nan 8.360 nan 0.000 0.466 247 E N 0.811 120.982 120.200 -0.048 0.000 2.077 247 E HA -0.096 4.255 4.350 0.001 0.000 0.193 247 E C 2.272 178.584 176.600 -0.479 0.000 0.989 247 E CA 1.096 57.432 56.400 -0.107 0.000 0.800 247 E CB -0.145 29.599 29.700 0.074 0.000 0.746 247 E HN 0.281 nan 8.360 nan 0.000 0.452 248 I N 0.621 120.900 120.570 -0.486 0.000 2.202 248 I HA -0.263 3.908 4.170 0.001 0.000 0.242 248 I C 2.272 178.127 176.117 -0.437 0.000 1.091 248 I CA 1.004 61.914 61.300 -0.651 0.000 1.368 248 I CB -0.193 37.629 38.000 -0.297 0.000 1.058 248 I HN 0.101 nan 8.210 nan 0.000 0.410 249 I N 0.391 120.781 120.570 -0.298 0.000 2.335 249 I HA -0.305 3.865 4.170 0.001 0.000 0.251 249 I C 2.729 178.741 176.117 -0.175 0.000 1.129 249 I CA 1.321 62.481 61.300 -0.234 0.000 1.402 249 I CB -0.302 37.581 38.000 -0.195 0.000 1.069 249 I HN 0.184 nan 8.210 nan 0.000 0.424 250 R N 0.860 121.255 120.500 -0.175 0.000 2.093 250 R HA -0.034 4.307 4.340 0.001 0.000 0.224 250 R C 1.677 177.930 176.300 -0.078 0.000 1.101 250 R CA 1.172 57.211 56.100 -0.102 0.000 0.979 250 R CB -0.117 30.140 30.300 -0.073 0.000 0.877 250 R HN 0.362 nan 8.270 nan 0.000 0.441 251 G N 0.432 109.122 108.800 -0.183 0.000 2.166 251 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 251 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 251 G C -0.250 174.728 174.900 0.131 0.000 0.986 251 G CA 0.321 45.395 45.100 -0.044 0.000 0.683 251 G HN 0.356 nan 8.290 nan 0.000 0.527 252 Q N -0.052 119.817 119.800 0.116 0.000 2.297 252 Q HA 0.406 4.747 4.340 0.001 0.000 0.267 252 Q C 0.242 176.381 176.000 0.231 0.000 1.006 252 Q CA 0.065 55.962 55.803 0.158 0.000 0.896 252 Q CB 1.618 30.424 28.738 0.113 0.000 1.186 252 Q HN 0.262 nan 8.270 nan 0.000 0.392 253 V N 5.738 125.728 119.914 0.126 0.000 2.328 253 V HA 0.283 4.404 4.120 0.001 0.000 0.278 253 V C -0.294 175.768 176.094 -0.054 0.000 1.021 253 V CA -0.655 61.593 62.300 -0.086 0.000 0.838 253 V CB 0.412 32.101 31.823 -0.224 0.000 0.999 253 V HN 0.555 nan 8.190 nan 0.000 0.447 254 F N 5.865 125.685 119.950 -0.216 0.000 2.421 254 F HA 0.715 5.243 4.527 0.001 0.000 0.337 254 F C -0.767 174.939 175.800 -0.157 0.000 1.105 254 F CA -1.190 56.758 58.000 -0.086 0.000 1.049 254 F CB 1.165 40.154 39.000 -0.017 0.000 1.139 254 F HN 0.347 nan 8.300 nan 0.000 0.479 255 F N 6.188 125.648 119.950 -0.818 0.000 2.385 255 F HA 0.384 4.913 4.527 0.002 0.000 0.360 255 F C 1.229 176.480 175.800 -0.915 0.000 1.122 255 F CA -0.531 57.098 58.000 -0.618 0.000 1.090 255 F CB 1.425 40.182 39.000 -0.405 0.000 1.150 255 F HN 0.553 nan 8.300 nan 0.000 0.472 256 R N 1.062 121.354 120.500 -0.346 0.000 2.200 256 R HA 0.147 4.488 4.340 0.001 0.000 0.208 256 R C -0.028 176.207 176.300 -0.109 0.000 1.033 256 R CA 0.519 56.523 56.100 -0.159 0.000 1.000 256 R CB 0.095 30.412 30.300 0.028 0.000 0.906 256 R HN 0.494 nan 8.270 nan 0.000 0.462 257 Q N 1.232 120.957 119.800 -0.125 0.000 2.378 257 Q HA 0.277 4.618 4.340 0.001 0.000 0.276 257 Q C -0.980 174.937 176.000 -0.137 0.000 1.083 257 Q CA -1.314 54.421 55.803 -0.114 0.000 0.856 257 Q CB 1.844 30.505 28.738 -0.128 0.000 1.383 257 Q HN -0.088 nan 8.270 nan 0.000 0.458 258 R N 0.606 121.029 120.500 -0.130 0.000 2.370 258 R HA 0.307 4.648 4.340 0.001 0.000 0.309 258 R C -1.419 174.760 176.300 -0.202 0.000 1.059 258 R CA 0.270 56.278 56.100 -0.153 0.000 0.981 258 R CB -0.149 30.086 30.300 -0.109 0.000 0.972 258 R HN 0.325 nan 8.270 nan 0.000 0.437 259 V N 4.572 124.306 119.914 -0.301 0.000 2.841 259 V HA 0.367 4.488 4.120 0.001 0.000 0.310 259 V C -0.017 175.843 176.094 -0.391 0.000 1.090 259 V CA -0.511 61.559 62.300 -0.384 0.000 0.930 259 V CB 1.952 33.410 31.823 -0.607 0.000 1.014 259 V HN 1.038 nan 8.190 nan 0.000 0.425 263 C N 2.185 121.199 119.300 -0.476 0.000 2.429 263 C HA -0.048 4.413 4.460 0.001 0.000 0.277 263 C C 2.565 177.173 174.990 -0.637 0.000 1.262 263 C CA 1.664 60.082 59.018 -1.000 0.000 1.733 263 C CB -0.714 26.285 27.740 -1.235 0.000 2.010 263 C HN 0.384 nan 8.230 nan 0.000 0.483 264 Q N -0.825 118.619 119.800 -0.593 0.000 2.135 264 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 264 Q C 1.783 177.741 176.000 -0.070 0.000 0.981 264 Q CA 2.116 57.648 55.803 -0.452 0.000 0.856 264 Q CB -0.298 28.054 28.738 -0.643 0.000 0.902 264 Q HN 0.830 nan 8.270 nan 0.000 0.425 265 H N -0.468 118.562 119.070 -0.066 0.000 2.395 265 H HA -0.099 4.458 4.556 0.001 0.000 0.299 265 H C 2.024 177.407 175.328 0.092 0.000 1.070 265 H CA 0.553 56.633 56.048 0.054 0.000 1.356 265 H CB 0.192 30.029 29.762 0.125 0.000 1.401 265 H HN 0.104 nan 8.280 nan 0.000 0.524 266 L N 1.092 122.312 121.223 -0.004 0.000 2.027 266 L HA -0.109 4.231 4.340 0.001 0.000 0.206 266 L C 2.029 178.900 176.870 0.002 0.000 1.074 266 L CA 1.358 56.120 54.840 -0.130 0.000 0.745 266 L CB -0.575 41.193 42.059 -0.486 0.000 0.898 266 L HN 0.257 nan 8.230 nan 0.000 0.433 267 I N -0.617 119.902 120.570 -0.085 0.000 2.127 267 I HA -0.320 3.851 4.170 0.001 0.000 0.241 267 I C 2.587 178.731 176.117 0.045 0.000 1.075 267 I CA 1.368 62.640 61.300 -0.047 0.000 1.334 267 I CB -0.308 37.718 38.000 0.044 0.000 1.040 267 I HN 0.239 nan 8.210 nan 0.000 0.405 268 R N -0.604 119.985 120.500 0.148 0.000 2.189 268 R HA -0.210 4.131 4.340 0.001 0.000 0.223 268 R C 2.026 178.471 176.300 0.241 0.000 1.092 268 R CA 1.165 57.366 56.100 0.169 0.000 0.989 268 R CB -0.279 30.145 30.300 0.206 0.000 0.876 268 R HN 0.470 nan 8.270 nan 0.000 0.457 269 W N 0.691 122.018 121.300 0.045 0.000 2.408 269 W HA -0.115 4.546 4.660 0.002 0.000 0.311 269 W C 1.834 178.384 176.519 0.052 0.000 1.190 269 W CA 0.011 57.394 57.345 0.064 0.000 1.321 269 W CB -0.865 28.648 29.460 0.088 0.000 1.143 269 W HN -0.040 nan 8.180 nan 0.000 0.501 270 C N 0.464 119.824 119.300 0.099 0.000 2.409 270 C HA -0.132 4.329 4.460 0.001 0.000 0.284 270 C C 2.061 177.036 174.990 -0.025 0.000 1.354 270 C CA 0.406 59.395 59.018 -0.047 0.000 1.787 270 C CB -1.488 26.214 27.740 -0.063 0.000 1.900 270 C HN 0.066 nan 8.230 nan 0.000 0.520 271 L N 0.729 121.926 121.223 -0.045 0.000 2.791 271 L HA 0.377 4.718 4.340 0.001 0.000 0.239 271 L C 1.285 178.301 176.870 0.243 0.000 1.203 271 L CA -0.362 54.370 54.840 -0.180 0.000 1.002 271 L CB -1.570 40.265 42.059 -0.374 0.000 1.295 271 L HN 0.168 nan 8.230 nan 0.000 0.504 272 A N -0.406 122.590 122.820 0.293 0.000 2.567 272 A HA 0.085 4.406 4.320 0.001 0.000 0.240 272 A C 1.555 179.350 177.584 0.352 0.000 1.053 272 A CA 0.134 52.357 52.037 0.309 0.000 0.755 272 A CB 0.140 19.325 19.000 0.308 0.000 0.978 272 A HN 0.387 nan 8.150 nan 0.000 0.507 273 L N 2.122 123.501 121.223 0.260 0.000 2.017 273 L HA -0.109 4.232 4.340 0.001 0.000 0.208 273 L C 1.481 178.420 176.870 0.116 0.000 1.073 273 L CA 1.169 56.111 54.840 0.171 0.000 0.745 273 L CB -0.302 41.816 42.059 0.098 0.000 0.894 273 L HN 0.674 nan 8.230 nan 0.000 0.432 274 R N 0.328 120.904 120.500 0.127 0.000 2.316 274 R HA 0.063 4.404 4.340 0.001 0.000 0.314 274 R C -1.560 174.815 176.300 0.126 0.000 1.069 274 R CA -1.459 54.707 56.100 0.111 0.000 0.959 274 R CB 0.561 30.922 30.300 0.101 0.000 0.987 274 R HN -0.037 nan 8.270 nan 0.000 0.446 275 P HA -0.242 nan 4.420 nan 0.000 0.214 275 P C 1.254 178.605 177.300 0.086 0.000 1.163 275 P CA 1.595 64.761 63.100 0.110 0.000 0.889 275 P CB 0.134 31.901 31.700 0.113 0.000 0.790 276 S N -1.539 114.201 115.700 0.067 0.000 2.500 276 S HA -0.155 4.316 4.470 0.001 0.000 0.239 276 S C 1.471 176.126 174.600 0.092 0.000 0.989 276 S CA 1.315 59.547 58.200 0.053 0.000 0.951 276 S CB -1.151 62.069 63.200 0.034 0.000 0.759 276 S HN 0.078 nan 8.310 nan 0.000 0.523 277 D N 1.446 121.923 120.400 0.129 0.000 2.347 277 D HA 0.119 4.759 4.640 0.001 0.000 0.215 277 D C 0.791 177.250 176.300 0.264 0.000 0.976 277 D CA 0.332 54.454 54.000 0.205 0.000 0.884 277 D CB -0.031 40.893 40.800 0.207 0.000 0.915 277 D HN 0.514 nan 8.370 nan 0.000 0.526 278 R N 1.303 121.873 120.500 0.117 0.000 2.582 278 R HA 0.247 4.588 4.340 0.001 0.000 0.271 278 R C -2.124 173.994 176.300 -0.302 0.000 1.078 278 R CA -1.188 54.870 56.100 -0.069 0.000 1.127 278 R CB 0.266 30.548 30.300 -0.029 0.000 1.038 278 R HN 0.037 nan 8.270 nan 0.000 0.500 279 P HA 0.026 nan 4.420 nan 0.000 0.276 279 P C -0.391 176.592 177.300 -0.528 0.000 1.244 279 P CA -0.381 62.168 63.100 -0.918 0.000 0.801 279 P CB 0.916 31.529 31.700 -1.812 0.000 1.006 280 T N -1.344 112.996 114.554 -0.357 0.000 2.754 280 T HA 0.203 4.553 4.350 0.001 0.000 0.286 280 T C 1.159 175.662 174.700 -0.328 0.000 0.997 280 T CA -0.153 61.752 62.100 -0.326 0.000 0.982 280 T CB -0.160 68.635 68.868 -0.121 0.000 1.027 280 T HN 0.119 nan 8.240 nan 0.000 0.529 281 F N 0.157 120.049 119.950 -0.096 0.000 2.134 281 F HA 0.065 4.592 4.527 0.001 0.000 0.299 281 F C 2.747 178.490 175.800 -0.096 0.000 1.097 281 F CA 1.558 59.480 58.000 -0.129 0.000 1.264 281 F CB -0.736 38.163 39.000 -0.168 0.000 1.001 281 F HN 0.827 nan 8.300 nan 0.000 0.479 282 E N 0.582 120.850 120.200 0.113 0.000 2.058 282 E HA -0.252 4.098 4.350 0.001 0.000 0.194 282 E C 2.034 178.696 176.600 0.102 0.000 0.997 282 E CA 1.731 58.184 56.400 0.088 0.000 0.801 282 E CB -0.160 29.589 29.700 0.081 0.000 0.746 282 E HN 0.499 nan 8.360 nan 0.000 0.450 283 E N 0.266 120.505 120.200 0.065 0.000 2.085 283 E HA -0.202 4.149 4.350 0.001 0.000 0.194 283 E C 2.247 178.938 176.600 0.151 0.000 0.994 283 E CA 1.341 57.806 56.400 0.108 0.000 0.801 283 E CB -0.133 29.574 29.700 0.012 0.000 0.743 283 E HN 0.419 nan 8.360 nan 0.000 0.453 284 I N 1.019 121.611 120.570 0.036 0.000 2.226 284 I HA -0.305 3.866 4.170 0.001 0.000 0.245 284 I C 2.367 178.670 176.117 0.309 0.000 1.100 284 I CA 1.290 62.683 61.300 0.154 0.000 1.374 284 I CB -0.237 37.817 38.000 0.090 0.000 1.057 284 I HN 0.134 nan 8.210 nan 0.000 0.413 285 Q N 0.144 120.078 119.800 0.225 0.000 2.378 285 Q HA -0.072 4.269 4.340 0.001 0.000 0.205 285 Q C 1.231 177.471 176.000 0.400 0.000 0.954 285 Q CA 0.670 56.655 55.803 0.303 0.000 0.901 285 Q CB 0.021 28.780 28.738 0.035 0.000 0.981 285 Q HN 0.475 nan 8.270 nan 0.000 0.483 286 N N -0.162 118.728 118.700 0.317 0.000 2.336 286 N HA -0.050 4.691 4.740 0.001 0.000 0.189 286 N C -0.084 175.608 175.510 0.304 0.000 1.113 286 N CA 0.208 53.424 53.050 0.277 0.000 0.858 286 N CB 0.155 38.769 38.487 0.212 0.000 0.970 286 N HN 0.253 nan 8.380 nan 0.000 0.471 287 H N 1.881 121.139 119.070 0.314 0.000 2.815 287 H HA 0.059 4.616 4.556 0.001 0.000 0.350 287 H C -1.440 174.061 175.328 0.289 0.000 1.080 287 H CA -0.985 55.273 56.048 0.349 0.000 1.433 287 H CB 1.528 31.560 29.762 0.451 0.000 1.432 287 H HN -0.088 nan 8.280 nan 0.000 0.592 288 P HA -0.194 nan 4.420 nan 0.000 0.217 288 P C 1.341 178.846 177.300 0.342 0.000 1.151 288 P CA 1.483 64.674 63.100 0.151 0.000 0.849 288 P CB -0.213 31.499 31.700 0.019 0.000 0.787 289 W N -0.948 120.646 121.300 0.491 0.000 2.465 289 W HA -0.028 4.632 4.660 0.001 0.000 0.268 289 W C 1.793 178.436 176.519 0.206 0.000 1.242 289 W CA 0.989 58.492 57.345 0.263 0.000 1.248 289 W CB -0.527 29.035 29.460 0.168 0.000 1.118 289 W HN -0.154 nan 8.180 nan 0.000 0.587 290 M N 0.854 120.624 119.600 0.283 0.000 2.561 290 M HA 0.086 4.567 4.480 0.001 0.000 0.238 290 M C 0.410 176.693 176.300 -0.028 0.000 1.131 290 M CA 0.620 56.021 55.300 0.169 0.000 1.046 290 M CB -0.393 32.503 32.600 0.494 0.000 1.532 290 M HN -0.298 nan 8.290 nan 0.000 0.497 291 Q N 1.344 121.105 119.800 -0.065 0.000 2.340 291 Q HA 0.094 4.435 4.340 0.001 0.000 0.249 291 Q C -0.156 175.709 176.000 -0.224 0.000 0.957 291 Q CA 0.447 56.180 55.803 -0.118 0.000 0.882 291 Q CB 0.446 29.157 28.738 -0.045 0.000 1.235 291 Q HN 0.265 nan 8.270 nan 0.000 0.439 292 D N -0.225 120.034 120.400 -0.236 0.000 2.716 292 D HA -0.159 4.482 4.640 0.001 0.000 0.239 292 D C -0.414 175.708 176.300 -0.297 0.000 1.125 292 D CA 0.375 54.236 54.000 -0.232 0.000 0.681 292 D CB -1.325 39.377 40.800 -0.163 0.000 1.070 292 D HN 0.276 nan 8.370 nan 0.000 0.432 293 V N 0.659 120.311 119.914 -0.436 0.000 2.715 293 V HA 0.073 4.194 4.120 0.001 0.000 0.299 293 V C 0.686 176.591 176.094 -0.315 0.000 1.054 293 V CA -0.393 61.633 62.300 -0.457 0.000 1.077 293 V CB 0.969 32.307 31.823 -0.808 0.000 0.972 293 V HN 0.139 nan 8.190 nan 0.000 0.484 294 L N 6.390 127.487 121.223 -0.209 0.000 2.439 294 L HA 0.301 4.642 4.340 0.001 0.000 0.269 294 L C 0.350 177.161 176.870 -0.099 0.000 1.179 294 L CA 0.546 55.314 54.840 -0.120 0.000 0.828 294 L CB 0.468 42.493 42.059 -0.057 0.000 1.106 294 L HN 0.528 nan 8.230 nan 0.000 0.467 295 L N 4.521 125.708 121.223 -0.059 0.000 2.464 295 L HA 0.143 4.483 4.340 0.001 0.000 0.264 295 L C -1.201 175.684 176.870 0.025 0.000 1.199 295 L CA -1.311 53.519 54.840 -0.016 0.000 0.818 295 L CB -0.115 41.937 42.059 -0.011 0.000 1.102 295 L HN 0.515 nan 8.230 nan 0.000 0.473 296 P HA -0.201 nan 4.420 nan 0.000 0.215 296 P C 1.234 178.578 177.300 0.073 0.000 1.153 296 P CA 0.867 64.012 63.100 0.075 0.000 0.853 296 P CB 0.201 31.932 31.700 0.052 0.000 0.788 297 Q N 0.298 120.128 119.800 0.051 0.000 2.124 297 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 297 Q C 1.995 178.029 176.000 0.056 0.000 0.977 297 Q CA 1.757 57.593 55.803 0.056 0.000 0.850 297 Q CB -0.818 27.942 28.738 0.036 0.000 0.901 297 Q HN 0.282 nan 8.270 nan 0.000 0.429 298 E N -1.092 119.128 120.200 0.034 0.000 2.038 298 E HA -0.177 4.174 4.350 0.001 0.000 0.195 298 E C 1.914 178.553 176.600 0.066 0.000 1.000 298 E CA 1.732 58.146 56.400 0.023 0.000 0.803 298 E CB -0.144 29.557 29.700 0.002 0.000 0.750 298 E HN 0.383 nan 8.360 nan 0.000 0.448 299 T N 0.943 115.555 114.554 0.096 0.000 2.653 299 T HA -0.281 4.069 4.350 0.001 0.000 0.268 299 T C 1.952 176.771 174.700 0.198 0.000 1.035 299 T CA 1.566 63.762 62.100 0.160 0.000 1.154 299 T CB -0.354 68.589 68.868 0.126 0.000 0.862 299 T HN 0.300 nan 8.240 nan 0.000 0.441 300 A N 1.156 124.079 122.820 0.173 0.000 1.898 300 A HA -0.099 4.222 4.320 0.001 0.000 0.216 300 A C 2.222 179.975 177.584 0.281 0.000 1.181 300 A CA 1.591 53.758 52.037 0.217 0.000 0.620 300 A CB -0.482 18.638 19.000 0.200 0.000 0.819 300 A HN 0.575 nan 8.150 nan 0.000 0.442 301 E N -0.553 119.744 120.200 0.162 0.000 2.107 301 E HA -0.065 4.286 4.350 0.001 0.000 0.191 301 E C 1.704 178.293 176.600 -0.018 0.000 0.982 301 E CA 1.089 57.491 56.400 0.002 0.000 0.809 301 E CB -0.151 29.472 29.700 -0.129 0.000 0.756 301 E HN 0.726 nan 8.360 nan 0.000 0.459 302 I N -0.289 120.259 120.570 -0.038 0.000 2.852 302 I HA -0.099 4.072 4.170 0.001 0.000 0.264 302 I C 1.674 177.582 176.117 -0.347 0.000 1.179 302 I CA 0.716 61.887 61.300 -0.215 0.000 1.480 302 I CB 0.101 37.917 38.000 -0.308 0.000 1.111 302 I HN 0.137 nan 8.210 nan 0.000 0.441 303 H N -1.256 117.851 119.070 0.061 0.000 3.457 303 H HA 0.285 4.842 4.556 0.002 0.000 0.255 303 H C 1.223 176.639 175.328 0.146 0.000 1.082 303 H CA 0.233 56.327 56.048 0.076 0.000 1.189 303 H CB 1.582 31.363 29.762 0.032 0.000 1.511 303 H HN 0.140 nan 8.280 nan 0.000 0.527 304 L N -0.523 120.852 121.223 0.254 0.000 2.694 304 L HA 0.155 4.496 4.340 0.001 0.000 0.228 304 L C 0.954 177.916 176.870 0.153 0.000 1.048 304 L CA 0.324 55.299 54.840 0.225 0.000 0.887 304 L CB -0.632 41.540 42.059 0.188 0.000 1.265 304 L HN 0.082 nan 8.230 nan 0.000 0.492 305 H N 0.000 119.114 119.070 0.074 0.000 2.539 305 H HA 0.000 4.557 4.556 0.001 0.000 0.296 305 H CA 0.000 56.075 56.048 0.046 0.000 1.023 305 H CB 0.000 29.776 29.762 0.024 0.000 1.292 305 H HN 0.000 nan 8.280 nan 0.000 0.496