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 2wnq_1_D DATA FIRST_RESID -1 DATA SEQUENCE HHHATNLRGV MAALLTPFDQ QQALDKASLR RLVQFNIQQG IDGLYVGGST DATA SEQUENCE GEAFVQSLSE REQVLEIVAE EAKGKIKLIA HVGCVSTAES QQLAASAKRY DATA SEQUENCE GFDAVSAVTP FYYPFSFEEH CDHYRAIIDS ADGLPMVVYN IPALSGVKLT DATA SEQUENCE LDQINTLVTL PGVGALKQTS GDLYQMEQIR REHPDLVLYN GYDNIFASGL DATA SEQUENCE LAGADGGIGS TYNIMGWRYQ GIVKALKEGD IQTAQKLQTE CNKVIDLLIK DATA SEQUENCE TGVFRGLKTV LHYMDVVSVP LCRKPFGPVD EKYLPELKAL AQQLMQE 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 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.418 175.328 0.151 0.000 0.993 -1 H CA 0.000 56.125 56.048 0.128 0.000 1.023 -1 H CB 0.000 29.789 29.762 0.045 0.000 1.292 0 H N 0.459 119.608 119.070 0.132 0.000 2.545 0 H HA -0.006 4.550 4.556 -0.000 0.000 0.282 0 H C 1.160 176.434 175.328 -0.091 0.000 1.020 0 H CA 1.504 57.547 56.048 -0.008 0.000 1.243 0 H CB 0.187 29.892 29.762 -0.095 0.000 1.377 0 H HN 0.487 nan 8.280 nan 0.000 0.581 1 H N -1.480 117.597 119.070 0.012 0.000 2.547 1 H HA 0.268 4.824 4.556 -0.000 0.000 0.272 1 H C 1.711 177.019 175.328 -0.034 0.000 0.989 1 H CA 0.829 56.857 56.048 -0.033 0.000 1.214 1 H CB 0.339 30.105 29.762 0.006 0.000 1.389 1 H HN 0.412 nan 8.280 nan 0.000 0.577 2 A N -0.040 122.835 122.820 0.091 0.000 2.379 2 A HA 0.047 4.367 4.320 -0.000 0.000 0.236 2 A C 1.828 179.414 177.584 0.004 0.000 1.272 2 A CA 0.280 52.355 52.037 0.063 0.000 0.886 2 A CB -0.478 18.579 19.000 0.095 0.000 0.962 2 A HN 0.281 nan 8.150 nan 0.000 0.504 3 T N 2.423 116.931 114.554 -0.077 0.000 2.721 3 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 3 T C 1.741 176.414 174.700 -0.046 0.000 1.038 3 T CA 1.848 63.883 62.100 -0.108 0.000 1.145 3 T CB -0.441 68.274 68.868 -0.254 0.000 0.858 3 T HN 0.871 nan 8.240 nan 0.000 0.459 4 N N 1.492 120.178 118.700 -0.023 0.000 2.521 4 N HA 0.004 4.744 4.740 -0.000 0.000 0.188 4 N C 1.300 176.840 175.510 0.049 0.000 1.146 4 N CA 0.332 53.387 53.050 0.009 0.000 0.893 4 N CB -0.559 37.934 38.487 0.010 0.000 0.975 4 N HN 0.388 nan 8.380 nan 0.000 0.451 5 L N -0.368 120.894 121.223 0.065 0.000 2.591 5 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 5 L C 1.134 178.092 176.870 0.146 0.000 1.133 5 L CA -0.304 54.618 54.840 0.137 0.000 0.880 5 L CB -0.110 42.052 42.059 0.172 0.000 1.033 5 L HN 0.033 nan 8.230 nan 0.000 0.450 6 R N 0.972 121.505 120.500 0.055 0.000 2.484 6 R HA 0.367 4.707 4.340 -0.000 0.000 0.293 6 R C 0.236 176.606 176.300 0.117 0.000 1.023 6 R CA 0.988 57.106 56.100 0.030 0.000 1.037 6 R CB 0.258 30.557 30.300 -0.002 0.000 0.951 6 R HN 0.208 nan 8.270 nan 0.000 0.418 7 G N 1.532 110.444 108.800 0.186 0.000 2.332 7 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.265 7 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.265 7 G C -1.611 173.461 174.900 0.287 0.000 1.329 7 G CA -0.594 44.626 45.100 0.200 0.000 0.949 7 G HN 0.458 nan 8.290 nan 0.000 0.476 8 V N 2.135 122.163 119.914 0.191 0.000 2.334 8 V HA 0.554 4.674 4.120 -0.000 0.000 0.267 8 V C -0.039 176.141 176.094 0.143 0.000 1.040 8 V CA -0.238 62.136 62.300 0.124 0.000 0.866 8 V CB 0.972 32.724 31.823 -0.117 0.000 1.019 8 V HN 0.555 nan 8.190 nan 0.000 0.468 9 M N 4.329 124.063 119.600 0.224 0.000 2.114 9 M HA 0.532 5.012 4.480 -0.000 0.000 0.332 9 M C 0.200 176.609 176.300 0.181 0.000 1.014 9 M CA -0.829 54.558 55.300 0.146 0.000 0.956 9 M CB 1.185 33.789 32.600 0.007 0.000 1.551 9 M HN 0.580 nan 8.290 nan 0.000 0.427 10 A N 3.002 125.932 122.820 0.184 0.000 2.524 10 A HA 0.491 4.811 4.320 -0.000 0.000 0.250 10 A C 0.710 178.268 177.584 -0.043 0.000 1.078 10 A CA -0.160 51.913 52.037 0.059 0.000 0.761 10 A CB -0.089 18.969 19.000 0.098 0.000 1.012 10 A HN 0.939 nan 8.150 nan 0.000 0.500 11 A N 3.571 126.277 122.820 -0.190 0.000 2.666 11 A HA 0.438 4.758 4.320 -0.000 0.000 0.301 11 A C 0.202 177.727 177.584 -0.099 0.000 1.470 11 A CA -0.336 51.634 52.037 -0.111 0.000 1.159 11 A CB -0.645 18.225 19.000 -0.217 0.000 1.116 11 A HN 1.082 nan 8.150 nan 0.000 0.548 12 L N 3.209 124.410 121.223 -0.038 0.000 2.513 12 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 12 L C 0.065 176.849 176.870 -0.143 0.000 1.187 12 L CA 0.518 55.319 54.840 -0.064 0.000 0.895 12 L CB 0.159 42.200 42.059 -0.029 0.000 1.147 12 L HN 0.605 nan 8.230 nan 0.000 0.483 13 L N 3.893 125.012 121.223 -0.173 0.000 2.453 13 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 13 L C 0.460 177.177 176.870 -0.255 0.000 1.179 13 L CA -0.164 54.525 54.840 -0.252 0.000 0.813 13 L CB 0.574 42.495 42.059 -0.229 0.000 1.110 13 L HN 0.573 nan 8.230 nan 0.000 0.466 14 T N 1.754 116.095 114.554 -0.355 0.000 2.770 14 T HA 0.355 4.704 4.350 -0.000 0.000 0.297 14 T C -2.475 171.777 174.700 -0.746 0.000 0.997 14 T CA -1.301 60.510 62.100 -0.482 0.000 0.949 14 T CB 1.166 69.733 68.868 -0.502 0.000 0.941 14 T HN 0.252 nan 8.240 nan 0.000 0.457 15 P HA 0.345 nan 4.420 nan 0.000 0.271 15 P C -0.906 176.050 177.300 -0.574 0.000 1.220 15 P CA -0.272 62.563 63.100 -0.441 0.000 0.768 15 P CB 0.270 31.837 31.700 -0.222 0.000 0.848 16 F N 1.363 121.289 119.950 -0.041 0.000 2.538 16 F HA 0.372 4.899 4.527 -0.000 0.000 0.325 16 F C 0.884 176.667 175.800 -0.029 0.000 1.066 16 F CA -0.717 57.266 58.000 -0.028 0.000 0.946 16 F CB 0.905 39.893 39.000 -0.019 0.000 1.199 16 F HN 0.259 nan 8.300 nan 0.000 0.473 17 D N -0.164 120.349 120.400 0.187 0.000 2.466 17 D HA 0.188 4.827 4.640 -0.000 0.000 0.262 17 D C 0.698 177.040 176.300 0.070 0.000 1.177 17 D CA -0.495 53.558 54.000 0.088 0.000 1.035 17 D CB 0.439 41.275 40.800 0.059 0.000 1.105 17 D HN 0.429 nan 8.370 nan 0.000 0.551 18 Q N -1.424 118.396 119.800 0.033 0.000 2.436 18 Q HA -0.068 4.272 4.340 -0.000 0.000 0.209 18 Q C 0.939 176.946 176.000 0.011 0.000 0.965 18 Q CA 1.412 57.224 55.803 0.016 0.000 0.910 18 Q CB -0.071 28.669 28.738 0.004 0.000 0.980 18 Q HN 0.411 nan 8.270 nan 0.000 0.491 19 Q N -0.410 119.401 119.800 0.017 0.000 2.246 19 Q HA 0.170 4.510 4.340 -0.000 0.000 0.202 19 Q C -0.428 175.569 176.000 -0.004 0.000 0.883 19 Q CA 0.109 55.916 55.803 0.007 0.000 0.952 19 Q CB 0.656 29.400 28.738 0.010 0.000 1.078 19 Q HN 0.217 nan 8.270 nan 0.000 0.493 20 Q N -2.713 117.084 119.800 -0.005 0.000 2.465 20 Q HA -0.211 4.129 4.340 -0.000 0.000 0.248 20 Q C -0.370 175.606 176.000 -0.041 0.000 0.819 20 Q CA 1.026 56.778 55.803 -0.085 0.000 1.219 20 Q CB -2.202 26.449 28.738 -0.146 0.000 1.472 20 Q HN 0.411 nan 8.270 nan 0.000 0.630 21 A N 0.382 123.250 122.820 0.080 0.000 2.264 21 A HA 0.655 4.975 4.320 -0.000 0.000 0.304 21 A C 0.494 178.237 177.584 0.265 0.000 1.100 21 A CA -0.554 51.561 52.037 0.129 0.000 0.839 21 A CB 0.506 19.549 19.000 0.073 0.000 1.121 21 A HN 0.233 nan 8.150 nan 0.000 0.496 22 L N 1.277 122.636 121.223 0.228 0.000 2.499 22 L HA 0.063 4.403 4.340 -0.000 0.000 0.273 22 L C -0.049 176.857 176.870 0.060 0.000 1.195 22 L CA 0.084 55.013 54.840 0.147 0.000 0.882 22 L CB 0.215 42.318 42.059 0.074 0.000 1.133 22 L HN 0.674 nan 8.230 nan 0.000 0.483 23 D N 3.419 123.817 120.400 -0.004 0.000 2.473 23 D HA 0.138 4.778 4.640 -0.000 0.000 0.226 23 D C 0.625 176.895 176.300 -0.049 0.000 1.089 23 D CA -0.306 53.684 54.000 -0.018 0.000 0.883 23 D CB 0.972 41.761 40.800 -0.019 0.000 1.029 23 D HN 0.367 nan 8.370 nan 0.000 0.517 24 K N 1.882 122.263 120.400 -0.032 0.000 2.116 24 K HA 0.034 4.354 4.320 -0.000 0.000 0.203 24 K C 1.902 178.480 176.600 -0.036 0.000 1.052 24 K CA 0.814 57.077 56.287 -0.040 0.000 0.952 24 K CB 0.192 32.674 32.500 -0.030 0.000 0.729 24 K HN 0.392 nan 8.250 nan 0.000 0.446 25 A N 1.134 123.939 122.820 -0.025 0.000 1.883 25 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 25 A C 2.180 179.748 177.584 -0.026 0.000 1.186 25 A CA 2.053 54.078 52.037 -0.020 0.000 0.624 25 A CB -0.592 18.400 19.000 -0.012 0.000 0.822 25 A HN 0.167 nan 8.150 nan 0.000 0.444 26 S N -0.834 114.844 115.700 -0.035 0.000 2.406 26 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 26 S C 1.798 176.362 174.600 -0.060 0.000 1.020 26 S CA 1.062 59.234 58.200 -0.046 0.000 0.965 26 S CB -0.320 62.847 63.200 -0.054 0.000 0.798 26 S HN 0.517 nan 8.310 nan 0.000 0.488 27 L N 2.262 123.441 121.223 -0.072 0.000 2.046 27 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 27 L C 2.114 178.959 176.870 -0.042 0.000 1.077 27 L CA 1.745 56.539 54.840 -0.077 0.000 0.747 27 L CB -0.392 41.610 42.059 -0.094 0.000 0.896 27 L HN 0.100 nan 8.230 nan 0.000 0.432 28 R N -0.924 119.557 120.500 -0.033 0.000 2.092 28 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 28 R C 2.472 178.774 176.300 0.004 0.000 1.119 28 R CA 1.342 57.432 56.100 -0.016 0.000 0.970 28 R CB -0.315 29.975 30.300 -0.018 0.000 0.864 28 R HN 0.352 nan 8.270 nan 0.000 0.440 29 R N 0.580 121.081 120.500 0.003 0.000 2.081 29 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 29 R C 2.188 178.526 176.300 0.063 0.000 1.131 29 R CA 1.115 57.229 56.100 0.024 0.000 0.960 29 R CB -0.237 30.060 30.300 -0.005 0.000 0.856 29 R HN 0.078 nan 8.270 nan 0.000 0.436 30 L N 0.240 121.480 121.223 0.029 0.000 2.046 30 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 30 L C 2.021 178.960 176.870 0.115 0.000 1.077 30 L CA 1.483 56.360 54.840 0.061 0.000 0.747 30 L CB -0.362 41.691 42.059 -0.010 0.000 0.896 30 L HN -0.016 nan 8.230 nan 0.000 0.432 31 V N -0.460 119.488 119.914 0.057 0.000 2.233 31 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 31 V C 2.678 178.812 176.094 0.068 0.000 1.050 31 V CA 1.906 64.234 62.300 0.047 0.000 1.010 31 V CB -0.767 31.061 31.823 0.009 0.000 0.637 31 V HN 0.506 nan 8.190 nan 0.000 0.444 32 Q N -0.920 118.921 119.800 0.069 0.000 2.096 32 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 32 Q C 2.095 178.154 176.000 0.099 0.000 0.982 32 Q CA 2.112 57.954 55.803 0.065 0.000 0.850 32 Q CB -0.720 28.051 28.738 0.056 0.000 0.901 32 Q HN 0.694 nan 8.270 nan 0.000 0.422 33 F N 2.342 122.299 119.950 0.011 0.000 2.095 33 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 33 F C 1.908 177.737 175.800 0.047 0.000 1.104 33 F CA 1.377 59.394 58.000 0.028 0.000 1.232 33 F CB -0.328 38.690 39.000 0.031 0.000 0.987 33 F HN 0.096 nan 8.300 nan 0.000 0.475 34 N N 1.003 119.794 118.700 0.152 0.000 2.132 34 N HA -0.247 4.493 4.740 -0.000 0.000 0.191 34 N C 2.061 177.548 175.510 -0.037 0.000 1.015 34 N CA 2.104 55.179 53.050 0.042 0.000 0.864 34 N CB -0.401 38.149 38.487 0.106 0.000 1.006 34 N HN 0.412 nan 8.380 nan 0.000 0.430 35 I N 1.359 121.916 120.570 -0.023 0.000 2.286 35 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 35 I C 2.192 178.269 176.117 -0.067 0.000 1.104 35 I CA 0.876 62.158 61.300 -0.031 0.000 1.397 35 I CB -0.239 37.751 38.000 -0.015 0.000 1.072 35 I HN 0.129 nan 8.210 nan 0.000 0.417 36 Q N 0.369 120.105 119.800 -0.107 0.000 2.135 36 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 36 Q C 2.041 177.938 176.000 -0.172 0.000 0.981 36 Q CA 1.437 57.156 55.803 -0.140 0.000 0.856 36 Q CB -0.185 28.454 28.738 -0.165 0.000 0.902 36 Q HN 0.537 nan 8.270 nan 0.000 0.425 37 Q N -0.706 118.960 119.800 -0.223 0.000 2.500 37 Q HA -0.019 4.320 4.340 -0.000 0.000 0.213 37 Q C 0.428 176.422 176.000 -0.009 0.000 0.974 37 Q CA 0.485 56.212 55.803 -0.127 0.000 0.918 37 Q CB 0.227 28.909 28.738 -0.094 0.000 0.980 37 Q HN 0.560 nan 8.270 nan 0.000 0.505 38 G N 1.478 110.263 108.800 -0.026 0.000 2.248 38 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.263 38 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.263 38 G C -0.253 174.661 174.900 0.023 0.000 1.082 38 G CA -0.098 45.004 45.100 0.003 0.000 0.863 38 G HN 0.280 nan 8.290 nan 0.000 0.495 39 I N 0.072 120.652 120.570 0.018 0.000 2.581 39 I HA 0.400 4.570 4.170 -0.000 0.000 0.288 39 I C 1.125 177.262 176.117 0.034 0.000 1.047 39 I CA -0.626 60.692 61.300 0.030 0.000 1.374 39 I CB 0.847 38.873 38.000 0.043 0.000 1.423 39 I HN 0.122 nan 8.210 nan 0.000 0.549 40 D N 4.363 124.792 120.400 0.048 0.000 2.277 40 D HA 0.189 4.829 4.640 -0.000 0.000 0.208 40 D C 0.596 176.933 176.300 0.061 0.000 0.962 40 D CA 1.058 55.093 54.000 0.058 0.000 0.865 40 D CB 0.163 41.012 40.800 0.081 0.000 0.939 40 D HN 0.674 nan 8.370 nan 0.000 0.510 41 G N -0.981 107.859 108.800 0.067 0.000 2.342 41 G HA2 0.491 4.451 3.960 -0.000 0.000 0.297 41 G HA3 0.491 4.451 3.960 -0.000 0.000 0.297 41 G C -2.028 172.916 174.900 0.073 0.000 1.313 41 G CA -0.844 44.294 45.100 0.063 0.000 0.830 41 G HN 0.031 nan 8.290 nan 0.000 0.506 42 L N 0.052 121.320 121.223 0.075 0.000 2.436 42 L HA 0.477 4.817 4.340 -0.000 0.000 0.268 42 L C -1.530 175.430 176.870 0.151 0.000 0.974 42 L CA -0.874 54.021 54.840 0.093 0.000 0.826 42 L CB 2.690 44.785 42.059 0.060 0.000 1.291 42 L HN 0.666 nan 8.230 nan 0.000 0.406 43 Y N 3.587 123.887 120.300 -0.000 0.000 2.385 43 Y HA 0.553 5.103 4.550 -0.000 0.000 0.341 43 Y C -0.656 175.256 175.900 0.020 0.000 0.965 43 Y CA -0.620 57.485 58.100 0.007 0.000 1.180 43 Y CB 1.143 39.547 38.460 -0.094 0.000 1.139 43 Y HN 0.223 nan 8.280 nan 0.000 0.502 44 V N 5.394 125.243 119.914 -0.109 0.000 2.435 44 V HA 0.557 4.677 4.120 -0.000 0.000 0.290 44 V C 0.705 176.707 176.094 -0.153 0.000 1.030 44 V CA -0.283 61.984 62.300 -0.054 0.000 0.881 44 V CB 0.996 32.879 31.823 0.100 0.000 0.983 44 V HN 1.044 nan 8.190 nan 0.000 0.445 45 G N 3.317 112.048 108.800 -0.114 0.000 2.198 45 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.257 45 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.257 45 G C 0.461 175.315 174.900 -0.077 0.000 1.042 45 G CA 0.072 45.107 45.100 -0.108 0.000 0.791 45 G HN 1.336 nan 8.290 nan 0.000 0.502 46 G N -0.701 108.032 108.800 -0.112 0.000 2.535 46 G HA2 0.549 4.509 3.960 -0.000 0.000 0.282 46 G HA3 0.549 4.509 3.960 -0.000 0.000 0.282 46 G C 1.348 176.070 174.900 -0.297 0.000 1.350 46 G CA 0.843 45.841 45.100 -0.170 0.000 1.039 46 G HN 0.669 nan 8.290 nan 0.000 0.509 47 S N -0.803 114.777 115.700 -0.200 0.000 2.381 47 S HA -0.209 4.261 4.470 -0.000 0.000 0.230 47 S C 2.540 177.057 174.600 -0.139 0.000 1.052 47 S CA 2.199 60.403 58.200 0.007 0.000 1.068 47 S CB -0.562 62.783 63.200 0.241 0.000 0.918 47 S HN 0.644 nan 8.310 nan 0.000 0.448 48 T N 0.949 115.340 114.554 -0.271 0.000 2.788 48 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 48 T C 1.690 175.933 174.700 -0.761 0.000 1.044 48 T CA 1.277 62.930 62.100 -0.744 0.000 1.139 48 T CB -0.460 68.166 68.868 -0.402 0.000 0.867 48 T HN 0.541 nan 8.240 nan 0.000 0.454 49 G N 0.461 109.021 108.800 -0.400 0.000 3.262 49 G HA2 0.207 4.167 3.960 -0.000 0.000 0.228 49 G HA3 0.207 4.167 3.960 -0.000 0.000 0.228 49 G C 0.092 174.854 174.900 -0.230 0.000 1.197 49 G CA -0.260 44.655 45.100 -0.308 0.000 0.819 49 G HN 0.570 nan 8.290 nan 0.000 0.531 50 E N -1.532 118.532 120.200 -0.227 0.000 2.586 50 E HA -0.320 4.030 4.350 -0.000 0.000 0.259 50 E C 1.797 178.371 176.600 -0.042 0.000 1.107 50 E CA 0.082 56.482 56.400 0.000 0.000 0.754 50 E CB -1.395 28.434 29.700 0.214 0.000 1.335 50 E HN 0.532 nan 8.360 nan 0.000 0.411 51 A N -0.087 122.549 122.820 -0.307 0.000 1.958 51 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 51 A C 1.453 178.902 177.584 -0.225 0.000 1.178 51 A CA 1.778 53.600 52.037 -0.358 0.000 0.642 51 A CB -0.467 18.184 19.000 -0.582 0.000 0.816 51 A HN 0.332 nan 8.150 nan 0.000 0.453 52 F N -0.722 119.335 119.950 0.179 0.000 2.811 52 F HA 0.144 4.671 4.527 0.000 0.000 0.301 52 F C 1.591 177.477 175.800 0.144 0.000 1.151 52 F CA 0.585 58.696 58.000 0.184 0.000 1.412 52 F CB -0.200 38.917 39.000 0.194 0.000 1.113 52 F HN 0.154 nan 8.300 nan 0.000 0.579 53 V N -3.257 116.793 119.914 0.228 0.000 3.276 53 V HA 0.344 4.464 4.120 -0.000 0.000 0.319 53 V C 0.094 176.247 176.094 0.098 0.000 1.427 53 V CA -0.246 62.144 62.300 0.151 0.000 1.102 53 V CB -0.708 31.199 31.823 0.141 0.000 1.020 53 V HN 0.145 nan 8.190 nan 0.000 0.456 54 Q N 1.247 121.115 119.800 0.113 0.000 2.351 54 Q HA 0.660 4.999 4.340 -0.000 0.000 0.273 54 Q C 0.031 176.078 176.000 0.078 0.000 1.077 54 Q CA -0.313 55.547 55.803 0.096 0.000 0.843 54 Q CB 2.321 31.126 28.738 0.111 0.000 1.367 54 Q HN 0.609 nan 8.270 nan 0.000 0.449 55 S N 0.192 115.929 115.700 0.061 0.000 2.645 55 S HA 0.261 4.731 4.470 -0.000 0.000 0.266 55 S C 1.218 175.843 174.600 0.041 0.000 1.258 55 S CA -0.667 57.562 58.200 0.048 0.000 0.990 55 S CB 0.415 63.637 63.200 0.037 0.000 0.967 55 S HN 0.636 nan 8.310 nan 0.000 0.556 56 L N 0.859 122.100 121.223 0.031 0.000 2.042 56 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 56 L C 3.058 179.941 176.870 0.022 0.000 1.076 56 L CA 1.745 56.596 54.840 0.017 0.000 0.749 56 L CB -1.107 40.956 42.059 0.007 0.000 0.893 56 L HN 0.923 nan 8.230 nan 0.000 0.432 57 S N -0.169 115.547 115.700 0.027 0.000 2.370 57 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 57 S C 1.815 176.437 174.600 0.036 0.000 1.033 57 S CA 1.625 59.845 58.200 0.033 0.000 1.011 57 S CB -0.077 63.141 63.200 0.029 0.000 0.852 57 S HN 0.448 nan 8.310 nan 0.000 0.457 58 E N 0.318 120.541 120.200 0.038 0.000 2.047 58 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 58 E C 2.530 179.147 176.600 0.028 0.000 0.987 58 E CA 1.019 57.446 56.400 0.044 0.000 0.799 58 E CB -0.120 29.624 29.700 0.072 0.000 0.752 58 E HN 0.469 nan 8.360 nan 0.000 0.449 59 R N 0.816 121.329 120.500 0.021 0.000 2.105 59 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 59 R C 2.207 178.505 176.300 -0.002 0.000 1.135 59 R CA 1.291 57.387 56.100 -0.007 0.000 0.967 59 R CB -0.114 30.172 30.300 -0.022 0.000 0.861 59 R HN 0.224 nan 8.270 nan 0.000 0.442 60 E N 0.499 120.720 120.200 0.036 0.000 2.072 60 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 60 E C 2.097 178.729 176.600 0.054 0.000 0.985 60 E CA 1.081 57.554 56.400 0.121 0.000 0.801 60 E CB 0.058 29.851 29.700 0.154 0.000 0.750 60 E HN 0.392 nan 8.360 nan 0.000 0.452 61 Q N 0.160 119.962 119.800 0.003 0.000 2.084 61 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 61 Q C 2.327 178.264 176.000 -0.105 0.000 0.978 61 Q CA 1.314 57.083 55.803 -0.057 0.000 0.844 61 Q CB 0.007 28.733 28.738 -0.020 0.000 0.898 61 Q HN 0.143 nan 8.270 nan 0.000 0.426 62 V N 1.196 121.069 119.914 -0.068 0.000 2.237 62 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 62 V C 2.248 178.308 176.094 -0.057 0.000 1.046 62 V CA 1.756 64.015 62.300 -0.068 0.000 1.007 62 V CB -0.709 31.077 31.823 -0.061 0.000 0.638 62 V HN 0.359 nan 8.190 nan 0.000 0.445 63 L N -0.111 121.088 121.223 -0.040 0.000 2.021 63 L HA -0.313 4.027 4.340 -0.000 0.000 0.215 63 L C 2.617 179.467 176.870 -0.034 0.000 1.074 63 L CA 2.440 57.320 54.840 0.067 0.000 0.760 63 L CB -0.750 41.307 42.059 -0.003 0.000 0.889 63 L HN 0.471 nan 8.230 nan 0.000 0.433 64 E N 0.663 120.489 120.200 -0.624 0.000 2.058 64 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 64 E C 2.279 178.682 176.600 -0.328 0.000 0.997 64 E CA 1.421 57.261 56.400 -0.933 0.000 0.801 64 E CB -0.080 28.973 29.700 -1.078 0.000 0.746 64 E HN 0.456 nan 8.360 nan 0.000 0.450 65 I N 0.264 120.708 120.570 -0.210 0.000 2.315 65 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 65 I C 2.318 178.389 176.117 -0.075 0.000 1.117 65 I CA 0.554 61.785 61.300 -0.116 0.000 1.404 65 I CB -0.049 37.897 38.000 -0.090 0.000 1.071 65 I HN 0.070 nan 8.210 nan 0.000 0.419 66 V N 0.947 120.837 119.914 -0.040 0.000 2.295 66 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 66 V C 2.696 178.734 176.094 -0.093 0.000 1.049 66 V CA 2.050 64.334 62.300 -0.026 0.000 1.024 66 V CB -1.059 30.800 31.823 0.061 0.000 0.648 66 V HN 0.500 nan 8.190 nan 0.000 0.447 67 A N -0.532 122.224 122.820 -0.107 0.000 1.902 67 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 67 A C 2.169 179.686 177.584 -0.112 0.000 1.181 67 A CA 1.813 53.732 52.037 -0.197 0.000 0.623 67 A CB -0.487 18.470 19.000 -0.071 0.000 0.818 67 A HN 0.614 nan 8.150 nan 0.000 0.443 68 E N -0.373 119.779 120.200 -0.081 0.000 2.070 68 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 68 E C 2.046 178.613 176.600 -0.054 0.000 1.004 68 E CA 1.395 57.760 56.400 -0.059 0.000 0.805 68 E CB -0.125 29.539 29.700 -0.060 0.000 0.744 68 E HN 0.569 nan 8.360 nan 0.000 0.451 69 E N -0.298 119.867 120.200 -0.058 0.000 2.072 69 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 69 E C 1.581 178.151 176.600 -0.050 0.000 0.982 69 E CA 1.186 57.559 56.400 -0.045 0.000 0.803 69 E CB 0.065 29.743 29.700 -0.036 0.000 0.755 69 E HN 0.225 nan 8.360 nan 0.000 0.453 70 A N 0.545 123.320 122.820 -0.075 0.000 2.419 70 A HA 0.081 4.401 4.320 -0.000 0.000 0.233 70 A C 1.015 178.538 177.584 -0.101 0.000 1.217 70 A CA -0.325 51.665 52.037 -0.077 0.000 0.944 70 A CB 0.216 19.171 19.000 -0.076 0.000 1.025 70 A HN -0.038 nan 8.150 nan 0.000 0.524 71 K N 0.428 120.752 120.400 -0.127 0.000 2.484 71 K HA 0.286 4.606 4.320 -0.000 0.000 0.280 71 K C 1.179 177.734 176.600 -0.074 0.000 1.013 71 K CA 1.089 57.298 56.287 -0.130 0.000 1.029 71 K CB -0.040 32.384 32.500 -0.128 0.000 0.902 71 K HN 0.799 nan 8.250 nan 0.000 0.481 72 G N 3.563 112.324 108.800 -0.063 0.000 2.225 72 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 72 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 72 G C 0.747 175.630 174.900 -0.029 0.000 0.988 72 G CA 0.637 45.715 45.100 -0.037 0.000 0.625 72 G HN 0.707 nan 8.290 nan 0.000 0.527 73 K N -0.296 120.082 120.400 -0.036 0.000 2.225 73 K HA 0.452 4.772 4.320 -0.000 0.000 0.204 73 K C 1.445 178.034 176.600 -0.019 0.000 1.047 73 K CA 1.161 57.432 56.287 -0.026 0.000 0.970 73 K CB 0.384 32.867 32.500 -0.028 0.000 0.939 73 K HN 0.681 nan 8.250 nan 0.000 0.472 74 I N -1.386 119.169 120.570 -0.025 0.000 3.206 74 I HA 0.418 4.588 4.170 -0.000 0.000 0.313 74 I C -0.915 175.191 176.117 -0.019 0.000 1.103 74 I CA -1.366 59.928 61.300 -0.011 0.000 0.985 74 I CB 1.559 39.558 38.000 -0.002 0.000 1.240 74 I HN -0.273 nan 8.210 nan 0.000 0.464 75 K N 2.450 122.856 120.400 0.009 0.000 2.185 75 K HA 0.586 4.906 4.320 -0.000 0.000 0.271 75 K C -1.005 175.597 176.600 0.004 0.000 1.013 75 K CA -0.359 55.938 56.287 0.017 0.000 0.943 75 K CB 1.496 34.035 32.500 0.065 0.000 0.998 75 K HN 0.535 nan 8.250 nan 0.000 0.468 76 L N 3.901 125.111 121.223 -0.022 0.000 2.381 76 L HA 0.513 4.853 4.340 -0.000 0.000 0.274 76 L C -0.437 176.550 176.870 0.196 0.000 0.988 76 L CA -0.681 54.128 54.840 -0.051 0.000 0.824 76 L CB 1.302 43.068 42.059 -0.489 0.000 1.263 76 L HN 0.421 nan 8.230 nan 0.000 0.410 77 I N 2.727 123.477 120.570 0.300 0.000 2.418 77 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 77 I C 0.165 176.367 176.117 0.143 0.000 1.008 77 I CA -0.542 60.924 61.300 0.276 0.000 1.104 77 I CB 2.012 40.139 38.000 0.213 0.000 1.264 77 I HN 0.600 nan 8.210 nan 0.000 0.438 78 A N 4.506 127.319 122.820 -0.012 0.000 2.269 78 A HA 0.334 4.654 4.320 -0.000 0.000 0.302 78 A C -0.487 176.907 177.584 -0.317 0.000 1.266 78 A CA -0.263 51.517 52.037 -0.429 0.000 0.894 78 A CB -0.247 18.219 19.000 -0.889 0.000 1.147 78 A HN 0.788 nan 8.150 nan 0.000 0.537 79 H N 2.545 121.326 119.070 -0.481 0.000 2.864 79 H HA 0.348 4.904 4.556 -0.000 0.000 0.281 79 H C 0.642 175.859 175.328 -0.185 0.000 1.093 79 H CA 0.476 56.333 56.048 -0.318 0.000 1.453 79 H CB 1.027 30.576 29.762 -0.355 0.000 1.462 79 H HN 0.477 nan 8.280 nan 0.000 0.480 80 V N 2.312 121.850 119.914 -0.628 0.000 3.528 80 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 80 V C 1.102 176.943 176.094 -0.421 0.000 1.404 80 V CA 0.155 62.199 62.300 -0.427 0.000 1.065 80 V CB -0.123 31.540 31.823 -0.266 0.000 0.904 80 V HN 0.782 nan 8.190 nan 0.000 0.435 81 G N -0.005 108.361 108.800 -0.723 0.000 2.340 81 G HA2 0.393 4.353 3.960 -0.000 0.000 0.245 81 G HA3 0.393 4.353 3.960 -0.000 0.000 0.245 81 G C -0.290 174.654 174.900 0.074 0.000 1.294 81 G CA 0.479 45.449 45.100 -0.216 0.000 0.896 81 G HN 0.525 nan 8.290 nan 0.000 0.522 82 C N 0.982 120.352 119.300 0.116 0.000 3.108 82 C HA 0.392 4.852 4.460 -0.000 0.000 0.321 82 C C 1.794 176.767 174.990 -0.029 0.000 1.357 82 C CA -0.550 58.547 59.018 0.130 0.000 1.562 82 C CB 1.586 29.365 27.740 0.066 0.000 2.003 82 C HN 0.565 nan 8.230 nan 0.000 0.460 83 V N 1.086 120.856 119.914 -0.240 0.000 2.307 83 V HA -0.094 4.026 4.120 -0.000 0.000 0.245 83 V C 1.369 177.367 176.094 -0.160 0.000 1.045 83 V CA 1.935 64.025 62.300 -0.351 0.000 1.024 83 V CB -0.515 31.046 31.823 -0.436 0.000 0.651 83 V HN 0.881 nan 8.190 nan 0.000 0.449 84 S N -0.004 115.662 115.700 -0.057 0.000 2.516 84 S HA 0.000 4.470 4.470 -0.000 0.000 0.282 84 S C 1.410 176.036 174.600 0.043 0.000 1.286 84 S CA 0.247 58.438 58.200 -0.015 0.000 1.066 84 S CB 1.018 64.211 63.200 -0.012 0.000 0.884 84 S HN 0.541 nan 8.310 nan 0.000 0.491 85 T N 5.306 119.885 114.554 0.041 0.000 2.788 85 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 85 T C 2.045 176.673 174.700 -0.121 0.000 1.044 85 T CA 1.384 63.449 62.100 -0.058 0.000 1.139 85 T CB -0.410 68.408 68.868 -0.083 0.000 0.867 85 T HN 0.760 nan 8.240 nan 0.000 0.454 86 A N 1.615 124.390 122.820 -0.074 0.000 1.897 86 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 86 A C 2.244 179.788 177.584 -0.067 0.000 1.181 86 A CA 1.078 53.071 52.037 -0.073 0.000 0.620 86 A CB -0.386 18.581 19.000 -0.054 0.000 0.821 86 A HN 0.495 nan 8.150 nan 0.000 0.443 87 E N -0.016 120.156 120.200 -0.048 0.000 2.077 87 E HA -0.126 4.223 4.350 -0.000 0.000 0.193 87 E C 2.276 178.839 176.600 -0.060 0.000 0.989 87 E CA 1.254 57.630 56.400 -0.039 0.000 0.800 87 E CB -0.182 29.509 29.700 -0.014 0.000 0.746 87 E HN 0.548 nan 8.360 nan 0.000 0.452 88 S N 1.065 116.719 115.700 -0.077 0.000 2.359 88 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 88 S C 1.961 176.468 174.600 -0.155 0.000 1.035 88 S CA 1.242 59.365 58.200 -0.129 0.000 1.018 88 S CB -0.187 62.890 63.200 -0.205 0.000 0.876 88 S HN 0.283 nan 8.310 nan 0.000 0.448 89 Q N 0.485 120.194 119.800 -0.153 0.000 2.124 89 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 89 Q C 2.397 178.330 176.000 -0.111 0.000 0.977 89 Q CA 1.062 56.785 55.803 -0.134 0.000 0.850 89 Q CB -0.172 28.493 28.738 -0.121 0.000 0.901 89 Q HN 0.564 nan 8.270 nan 0.000 0.429 90 Q N 0.526 120.269 119.800 -0.096 0.000 2.124 90 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 90 Q C 1.944 177.883 176.000 -0.102 0.000 0.977 90 Q CA 1.041 56.793 55.803 -0.085 0.000 0.850 90 Q CB 0.076 28.776 28.738 -0.062 0.000 0.901 90 Q HN 0.422 nan 8.270 nan 0.000 0.429 91 L N -0.447 120.709 121.223 -0.112 0.000 2.131 91 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 91 L C 2.531 179.301 176.870 -0.168 0.000 1.087 91 L CA 0.691 55.451 54.840 -0.133 0.000 0.767 91 L CB -0.522 41.454 42.059 -0.137 0.000 0.917 91 L HN 0.187 nan 8.230 nan 0.000 0.441 92 A N 0.359 123.085 122.820 -0.157 0.000 1.978 92 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 92 A C 2.505 180.008 177.584 -0.135 0.000 1.170 92 A CA 1.813 53.763 52.037 -0.144 0.000 0.636 92 A CB -0.572 18.357 19.000 -0.120 0.000 0.810 92 A HN 0.404 nan 8.150 nan 0.000 0.448 93 A N -0.665 122.074 122.820 -0.135 0.000 1.898 93 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 93 A C 2.434 179.897 177.584 -0.202 0.000 1.181 93 A CA 1.913 53.868 52.037 -0.137 0.000 0.620 93 A CB -0.775 18.154 19.000 -0.119 0.000 0.819 93 A HN 0.455 nan 8.150 nan 0.000 0.442 94 S N 0.120 115.668 115.700 -0.252 0.000 2.383 94 S HA -0.008 4.462 4.470 -0.000 0.000 0.227 94 S C 2.288 176.572 174.600 -0.526 0.000 1.026 94 S CA 1.077 59.003 58.200 -0.457 0.000 0.981 94 S CB -0.451 62.554 63.200 -0.325 0.000 0.818 94 S HN 0.779 nan 8.310 nan 0.000 0.472 95 A N 1.934 124.581 122.820 -0.288 0.000 1.933 95 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 95 A C 1.998 179.583 177.584 0.002 0.000 1.175 95 A CA 2.062 53.959 52.037 -0.233 0.000 0.628 95 A CB -0.562 18.205 19.000 -0.389 0.000 0.814 95 A HN 0.402 nan 8.150 nan 0.000 0.444 96 K N 0.035 120.399 120.400 -0.060 0.000 1.991 96 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 96 K C 2.169 178.751 176.600 -0.031 0.000 1.049 96 K CA 2.024 58.303 56.287 -0.013 0.000 0.932 96 K CB -0.390 32.081 32.500 -0.048 0.000 0.717 96 K HN 0.367 nan 8.250 nan 0.000 0.441 97 R N -1.189 119.208 120.500 -0.172 0.000 2.117 97 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 97 R C 1.720 177.966 176.300 -0.090 0.000 1.143 97 R CA 1.831 57.804 56.100 -0.213 0.000 0.968 97 R CB -0.280 29.778 30.300 -0.403 0.000 0.863 97 R HN 0.329 nan 8.270 nan 0.000 0.444 98 Y N -1.135 119.238 120.300 0.122 0.000 2.546 98 Y HA 0.227 4.777 4.550 -0.000 0.000 0.287 98 Y C 1.527 177.529 175.900 0.169 0.000 1.158 98 Y CA 0.507 58.714 58.100 0.179 0.000 1.307 98 Y CB 0.070 38.709 38.460 0.299 0.000 1.036 98 Y HN 0.299 nan 8.280 nan 0.000 0.532 99 G N -0.733 108.227 108.800 0.267 0.000 2.142 99 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.225 99 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.225 99 G C -0.113 174.863 174.900 0.127 0.000 1.015 99 G CA -0.586 44.602 45.100 0.147 0.000 0.716 99 G HN 0.134 nan 8.290 nan 0.000 0.508 100 F N 1.112 121.095 119.950 0.056 0.000 2.553 100 F HA 0.256 4.783 4.527 -0.000 0.000 0.356 100 F C 1.690 177.512 175.800 0.037 0.000 1.142 100 F CA 0.378 58.406 58.000 0.046 0.000 1.322 100 F CB 0.623 39.648 39.000 0.042 0.000 1.126 100 F HN 0.077 nan 8.300 nan 0.000 0.599 101 D N 1.474 121.961 120.400 0.145 0.000 2.277 101 D HA 0.162 4.802 4.640 -0.000 0.000 0.208 101 D C 0.412 176.802 176.300 0.150 0.000 0.962 101 D CA 0.903 54.971 54.000 0.113 0.000 0.865 101 D CB 0.251 41.095 40.800 0.073 0.000 0.939 101 D HN 0.422 nan 8.370 nan 0.000 0.510 102 A N -0.130 122.813 122.820 0.205 0.000 2.586 102 A HA 0.515 4.835 4.320 -0.000 0.000 0.291 102 A C -0.834 176.842 177.584 0.155 0.000 1.062 102 A CA -0.703 51.438 52.037 0.172 0.000 0.666 102 A CB 1.046 20.155 19.000 0.181 0.000 1.281 102 A HN -0.049 nan 8.150 nan 0.000 0.421 103 V N -1.948 118.034 119.914 0.114 0.000 3.166 103 V HA 1.015 5.135 4.120 -0.000 0.000 0.317 103 V C 0.073 176.255 176.094 0.146 0.000 1.136 103 V CA -0.351 61.987 62.300 0.062 0.000 1.035 103 V CB 1.516 33.343 31.823 0.007 0.000 1.110 103 V HN 1.652 nan 8.190 nan 0.000 0.450 104 S N -0.396 115.390 115.700 0.143 0.000 2.550 104 S HA 0.878 5.348 4.470 -0.000 0.000 0.270 104 S C -1.023 173.758 174.600 0.302 0.000 1.145 104 S CA 0.076 58.490 58.200 0.356 0.000 0.852 104 S CB 1.665 65.208 63.200 0.571 0.000 1.119 104 S HN 2.133 nan 8.310 nan 0.000 0.465 105 A N 2.020 125.146 122.820 0.510 0.000 2.459 105 A HA 0.699 5.019 4.320 -0.000 0.000 0.296 105 A C -0.604 177.120 177.584 0.234 0.000 1.039 105 A CA -0.510 51.700 52.037 0.289 0.000 0.698 105 A CB 1.328 20.402 19.000 0.123 0.000 1.261 105 A HN 1.079 nan 8.150 nan 0.000 0.405 106 V N 2.496 122.405 119.914 -0.008 0.000 2.811 106 V HA 0.428 4.548 4.120 -0.000 0.000 0.302 106 V C 0.813 176.883 176.094 -0.040 0.000 1.063 106 V CA 0.612 62.595 62.300 -0.528 0.000 1.088 106 V CB 1.195 32.865 31.823 -0.255 0.000 0.982 106 V HN 1.172 nan 8.190 nan 0.000 0.485 107 T N 7.182 121.760 114.554 0.041 0.000 2.867 107 T HA 0.197 4.547 4.350 -0.000 0.000 0.297 107 T C -2.441 172.320 174.700 0.102 0.000 0.989 107 T CA -0.870 61.252 62.100 0.037 0.000 1.159 107 T CB 0.349 69.173 68.868 -0.073 0.000 0.928 107 T HN 0.721 nan 8.240 nan 0.000 0.538 108 P HA 0.164 nan 4.420 nan 0.000 0.266 108 P C -0.499 176.967 177.300 0.277 0.000 1.195 108 P CA -0.229 62.806 63.100 -0.108 0.000 0.768 108 P CB 0.236 31.549 31.700 -0.646 0.000 0.838 109 F N 0.902 120.960 119.950 0.181 0.000 2.712 109 F HA 0.551 5.078 4.527 -0.000 0.000 0.367 109 F C 1.466 177.345 175.800 0.131 0.000 1.132 109 F CA -1.315 56.763 58.000 0.129 0.000 1.066 109 F CB -0.132 38.855 39.000 -0.021 0.000 1.416 109 F HN 0.428 nan 8.300 nan 0.000 0.515 110 Y N -1.054 119.317 120.300 0.118 0.000 2.750 110 Y HA -0.390 4.160 4.550 0.000 0.000 0.477 110 Y C -0.310 175.389 175.900 -0.336 0.000 1.138 110 Y CA 1.546 59.547 58.100 -0.166 0.000 2.829 110 Y CB -1.722 36.534 38.460 -0.339 0.000 1.073 110 Y HN 0.559 nan 8.280 nan 0.000 0.590 111 Y N 4.175 124.405 120.300 -0.116 0.000 2.397 111 Y HA 0.317 4.867 4.550 -0.001 0.000 0.335 111 Y C -1.788 173.662 175.900 -0.750 0.000 1.213 111 Y CA -1.673 56.123 58.100 -0.505 0.000 1.391 111 Y CB -0.206 37.832 38.460 -0.704 0.000 1.293 111 Y HN 0.058 nan 8.280 nan 0.000 0.557 112 P HA 0.120 nan 4.420 nan 0.000 0.238 112 P C -1.165 175.976 177.300 -0.266 0.000 1.794 112 P CA -0.097 62.850 63.100 -0.254 0.000 1.088 112 P CB -0.667 30.951 31.700 -0.138 0.000 1.923 113 F N 1.200 121.118 119.950 -0.053 0.000 2.456 113 F HA 0.142 4.669 4.527 0.000 0.000 0.358 113 F C 1.855 177.516 175.800 -0.232 0.000 1.095 113 F CA -0.147 57.717 58.000 -0.228 0.000 1.216 113 F CB 0.362 39.062 39.000 -0.500 0.000 1.125 113 F HN 0.178 nan 8.300 nan 0.000 0.549 114 S N 3.508 119.244 115.700 0.060 0.000 2.576 114 S HA -0.024 4.446 4.470 -0.000 0.000 0.272 114 S C 0.977 175.646 174.600 0.115 0.000 1.352 114 S CA -0.543 57.717 58.200 0.099 0.000 1.021 114 S CB 0.217 63.472 63.200 0.092 0.000 0.887 114 S HN 0.614 nan 8.310 nan 0.000 0.542 115 F N 1.155 121.191 119.950 0.144 0.000 2.134 115 F HA -0.003 4.523 4.527 -0.000 0.000 0.299 115 F C 2.337 178.252 175.800 0.192 0.000 1.097 115 F CA 1.996 60.150 58.000 0.258 0.000 1.264 115 F CB -0.497 38.624 39.000 0.202 0.000 1.001 115 F HN 0.863 nan 8.300 nan 0.000 0.479 116 E N -0.153 120.005 120.200 -0.070 0.000 2.274 116 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 116 E C 1.992 178.515 176.600 -0.129 0.000 0.996 116 E CA 0.893 57.180 56.400 -0.188 0.000 0.840 116 E CB -0.038 29.647 29.700 -0.024 0.000 0.772 116 E HN 0.606 nan 8.360 nan 0.000 0.491 117 E N -0.741 119.405 120.200 -0.090 0.000 2.072 117 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 117 E C 1.788 178.293 176.600 -0.158 0.000 0.985 117 E CA 0.922 57.248 56.400 -0.124 0.000 0.801 117 E CB -0.061 29.579 29.700 -0.100 0.000 0.750 117 E HN 0.442 nan 8.360 nan 0.000 0.452 118 H N -0.540 118.481 119.070 -0.081 0.000 2.319 118 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 118 H C 2.315 177.658 175.328 0.026 0.000 1.092 118 H CA 1.354 57.376 56.048 -0.044 0.000 1.302 118 H CB -0.071 29.747 29.762 0.094 0.000 1.373 118 H HN 0.209 nan 8.280 nan 0.000 0.497 119 C N 0.567 119.841 119.300 -0.043 0.000 2.413 119 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 119 C C 2.338 177.346 174.990 0.030 0.000 1.236 119 C CA 1.084 60.063 59.018 -0.064 0.000 1.735 119 C CB -0.458 27.099 27.740 -0.304 0.000 2.031 119 C HN 0.638 nan 8.230 nan 0.000 0.474 120 D N -0.911 119.478 120.400 -0.019 0.000 2.117 120 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 120 D C 1.734 178.025 176.300 -0.014 0.000 0.982 120 D CA 1.398 55.386 54.000 -0.019 0.000 0.828 120 D CB -0.702 40.072 40.800 -0.044 0.000 0.967 120 D HN 0.648 nan 8.370 nan 0.000 0.464 121 H N -0.500 118.486 119.070 -0.140 0.000 2.321 121 H HA -0.226 4.330 4.556 0.000 0.000 0.295 121 H C 1.753 176.980 175.328 -0.169 0.000 1.102 121 H CA 1.962 57.879 56.048 -0.218 0.000 1.266 121 H CB -0.261 29.295 29.762 -0.344 0.000 1.363 121 H HN 0.166 nan 8.280 nan 0.000 0.492 122 Y N 0.104 120.396 120.300 -0.013 0.000 2.184 122 Y HA -0.021 4.528 4.550 -0.000 0.000 0.290 122 Y C 2.902 178.761 175.900 -0.068 0.000 1.129 122 Y CA 1.292 59.367 58.100 -0.043 0.000 1.144 122 Y CB -0.298 38.189 38.460 0.046 0.000 0.995 122 Y HN 0.087 nan 8.280 nan 0.000 0.513 123 R N -0.187 120.382 120.500 0.116 0.000 2.113 123 R HA -0.253 4.087 4.340 -0.000 0.000 0.244 123 R C 2.407 178.702 176.300 -0.008 0.000 1.142 123 R CA 1.517 57.642 56.100 0.041 0.000 0.953 123 R CB -0.700 29.610 30.300 0.017 0.000 0.860 123 R HN 0.350 nan 8.270 nan 0.000 0.438 124 A N 0.599 123.388 122.820 -0.052 0.000 1.972 124 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 124 A C 2.073 179.590 177.584 -0.112 0.000 1.169 124 A CA 1.244 53.226 52.037 -0.091 0.000 0.635 124 A CB -0.366 18.559 19.000 -0.126 0.000 0.810 124 A HN 0.233 nan 8.150 nan 0.000 0.446 125 I N -0.677 119.812 120.570 -0.135 0.000 2.406 125 I HA -0.146 4.023 4.170 -0.000 0.000 0.249 125 I C 2.153 178.240 176.117 -0.050 0.000 1.122 125 I CA 0.791 62.013 61.300 -0.130 0.000 1.431 125 I CB -0.219 37.672 38.000 -0.181 0.000 1.087 125 I HN 0.261 nan 8.210 nan 0.000 0.424 126 I N 0.538 121.107 120.570 -0.001 0.000 2.226 126 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 126 I C 2.383 178.494 176.117 -0.010 0.000 1.100 126 I CA 1.453 62.761 61.300 0.014 0.000 1.374 126 I CB -0.521 37.500 38.000 0.035 0.000 1.057 126 I HN 0.357 nan 8.210 nan 0.000 0.413 127 D N 0.827 121.213 120.400 -0.022 0.000 2.087 127 D HA -0.187 4.453 4.640 -0.000 0.000 0.192 127 D C 2.173 178.450 176.300 -0.039 0.000 0.993 127 D CA 1.867 55.849 54.000 -0.030 0.000 0.828 127 D CB 0.179 40.957 40.800 -0.036 0.000 0.968 127 D HN 0.216 nan 8.370 nan 0.000 0.448 128 S N 0.013 115.681 115.700 -0.054 0.000 2.419 128 S HA -0.074 4.396 4.470 -0.000 0.000 0.233 128 S C 1.993 176.559 174.600 -0.057 0.000 1.016 128 S CA 0.876 59.038 58.200 -0.063 0.000 0.974 128 S CB -0.119 63.031 63.200 -0.085 0.000 0.786 128 S HN 0.439 nan 8.310 nan 0.000 0.492 129 A N 0.955 123.747 122.820 -0.046 0.000 2.172 129 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 129 A C 0.785 178.358 177.584 -0.019 0.000 1.154 129 A CA 0.847 52.865 52.037 -0.032 0.000 0.701 129 A CB -0.457 18.537 19.000 -0.011 0.000 0.789 129 A HN 0.391 nan 8.150 nan 0.000 0.465 130 D N -2.750 117.637 120.400 -0.021 0.000 2.812 130 D HA -0.096 4.544 4.640 -0.000 0.000 0.237 130 D C 1.015 177.312 176.300 -0.005 0.000 1.162 130 D CA 1.870 55.860 54.000 -0.017 0.000 0.740 130 D CB -1.416 39.369 40.800 -0.025 0.000 1.000 130 D HN 1.305 nan 8.370 nan 0.000 0.416 131 G N -0.807 107.993 108.800 -0.000 0.000 2.258 131 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.233 131 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.233 131 G C 0.220 175.133 174.900 0.021 0.000 1.006 131 G CA 0.081 45.185 45.100 0.006 0.000 0.620 131 G HN 0.530 nan 8.290 nan 0.000 0.511 132 L N 3.662 124.903 121.223 0.030 0.000 2.416 132 L HA 0.439 4.779 4.340 -0.000 0.000 0.272 132 L C -1.155 175.750 176.870 0.058 0.000 1.161 132 L CA -1.454 53.417 54.840 0.053 0.000 0.845 132 L CB 0.171 42.267 42.059 0.063 0.000 1.119 132 L HN 0.060 nan 8.230 nan 0.000 0.464 133 P HA 0.210 nan 4.420 nan 0.000 0.272 133 P C -0.821 176.544 177.300 0.109 0.000 1.230 133 P CA -0.584 62.567 63.100 0.086 0.000 0.788 133 P CB 0.856 32.614 31.700 0.097 0.000 0.949 134 M N 1.902 121.570 119.600 0.114 0.000 2.528 134 M HA 0.424 4.904 4.480 -0.000 0.000 0.321 134 M C -1.692 174.707 176.300 0.166 0.000 1.153 134 M CA -0.718 54.666 55.300 0.140 0.000 0.951 134 M CB 1.790 34.464 32.600 0.123 0.000 1.705 134 M HN -0.008 nan 8.290 nan 0.000 0.451 135 V N 5.103 125.157 119.914 0.234 0.000 2.357 135 V HA 0.541 4.661 4.120 -0.000 0.000 0.284 135 V C -0.236 176.036 176.094 0.295 0.000 1.018 135 V CA -0.775 61.682 62.300 0.261 0.000 0.841 135 V CB 1.058 33.095 31.823 0.357 0.000 0.991 135 V HN 0.804 nan 8.190 nan 0.000 0.437 136 V N 4.638 124.640 119.914 0.146 0.000 3.295 136 V HA 0.497 4.617 4.120 -0.000 0.000 0.308 136 V C -0.510 175.743 176.094 0.264 0.000 1.068 136 V CA -0.370 62.001 62.300 0.117 0.000 1.062 136 V CB 1.603 33.253 31.823 -0.287 0.000 1.162 136 V HN 0.711 nan 8.190 nan 0.000 0.456 137 Y N -0.043 120.332 120.300 0.125 0.000 2.659 137 Y HA 0.442 4.992 4.550 -0.000 0.000 0.333 137 Y C 0.657 176.597 175.900 0.068 0.000 1.064 137 Y CA -0.763 57.409 58.100 0.120 0.000 1.141 137 Y CB 1.722 40.299 38.460 0.195 0.000 1.316 137 Y HN 0.576 nan 8.280 nan 0.000 0.509 138 N N -0.019 118.809 118.700 0.214 0.000 3.046 138 N HA 0.117 4.857 4.740 -0.000 0.000 0.240 138 N C -0.100 175.527 175.510 0.195 0.000 1.017 138 N CA 0.060 53.205 53.050 0.158 0.000 1.126 138 N CB 0.079 38.604 38.487 0.063 0.000 1.642 138 N HN 0.623 nan 8.380 nan 0.000 0.548 139 I N 2.530 123.192 120.570 0.154 0.000 3.121 139 I HA -0.205 3.965 4.170 -0.000 0.000 0.126 139 I C -1.805 174.364 176.117 0.088 0.000 0.937 139 I CA -0.466 60.897 61.300 0.105 0.000 2.771 139 I CB 0.215 38.327 38.000 0.185 0.000 0.913 139 I HN 0.182 nan 8.210 nan 0.000 0.349 140 P HA -0.202 nan 4.420 nan 0.000 0.218 140 P C 1.508 178.846 177.300 0.063 0.000 1.148 140 P CA 1.810 64.954 63.100 0.073 0.000 0.822 140 P CB 0.075 31.819 31.700 0.073 0.000 0.784 141 A N -0.552 122.318 122.820 0.083 0.000 1.908 141 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 141 A C 2.122 179.730 177.584 0.041 0.000 1.181 141 A CA 1.705 53.793 52.037 0.085 0.000 0.627 141 A CB -1.461 17.635 19.000 0.159 0.000 0.818 141 A HN 0.164 nan 8.150 nan 0.000 0.445 142 L N -0.845 120.391 121.223 0.022 0.000 2.357 142 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 142 L C 2.582 179.384 176.870 -0.114 0.000 1.075 142 L CA 1.131 55.945 54.840 -0.042 0.000 0.830 142 L CB -0.277 41.760 42.059 -0.038 0.000 0.996 142 L HN 0.518 nan 8.230 nan 0.000 0.467 143 S N -0.405 115.255 115.700 -0.067 0.000 2.503 143 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 143 S C 1.539 176.168 174.600 0.049 0.000 0.999 143 S CA 0.428 58.603 58.200 -0.043 0.000 0.914 143 S CB 0.197 63.414 63.200 0.029 0.000 0.782 143 S HN 0.462 nan 8.310 nan 0.000 0.520 144 G N 0.762 109.583 108.800 0.035 0.000 2.305 144 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.287 144 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.287 144 G C -0.167 174.780 174.900 0.078 0.000 1.036 144 G CA 0.285 45.410 45.100 0.042 0.000 0.887 144 G HN 0.779 nan 8.290 nan 0.000 0.505 145 V N 0.470 120.441 119.914 0.095 0.000 2.376 145 V HA 0.394 4.514 4.120 -0.000 0.000 0.287 145 V C 0.275 176.425 176.094 0.093 0.000 1.015 145 V CA -0.738 61.635 62.300 0.121 0.000 0.834 145 V CB 1.642 33.538 31.823 0.122 0.000 1.001 145 V HN 0.338 nan 8.190 nan 0.000 0.428 146 K N 6.200 126.653 120.400 0.089 0.000 2.292 146 K HA 0.587 4.907 4.320 -0.000 0.000 0.270 146 K C -0.917 175.714 176.600 0.052 0.000 1.062 146 K CA -0.372 55.953 56.287 0.063 0.000 0.916 146 K CB 1.549 34.079 32.500 0.050 0.000 1.166 146 K HN 0.505 nan 8.250 nan 0.000 0.458 147 L N 2.512 123.757 121.223 0.035 0.000 2.325 147 L HA 0.285 4.625 4.340 -0.000 0.000 0.279 147 L C 1.020 177.868 176.870 -0.037 0.000 1.054 147 L CA -0.522 54.317 54.840 -0.001 0.000 0.804 147 L CB 1.480 43.548 42.059 0.014 0.000 1.200 147 L HN 0.691 nan 8.230 nan 0.000 0.436 148 T N -0.861 113.640 114.554 -0.087 0.000 2.824 148 T HA 0.217 4.567 4.350 -0.000 0.000 0.277 148 T C 0.867 175.508 174.700 -0.098 0.000 0.975 148 T CA -0.687 61.359 62.100 -0.090 0.000 0.966 148 T CB 1.202 70.006 68.868 -0.107 0.000 1.054 148 T HN 0.418 nan 8.240 nan 0.000 0.533 149 L N 0.642 121.813 121.223 -0.087 0.000 1.988 149 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 149 L C 2.344 179.175 176.870 -0.065 0.000 1.071 149 L CA 1.939 56.733 54.840 -0.077 0.000 0.744 149 L CB -0.960 41.047 42.059 -0.086 0.000 0.893 149 L HN 0.742 nan 8.230 nan 0.000 0.433 150 D N -0.740 119.615 120.400 -0.074 0.000 2.157 150 D HA -0.287 4.353 4.640 -0.000 0.000 0.191 150 D C 2.092 178.336 176.300 -0.092 0.000 1.004 150 D CA 1.797 55.759 54.000 -0.063 0.000 0.854 150 D CB -0.146 40.611 40.800 -0.072 0.000 0.936 150 D HN 0.558 nan 8.370 nan 0.000 0.446 151 Q N -0.051 119.604 119.800 -0.242 0.000 2.119 151 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 151 Q C 2.528 178.480 176.000 -0.080 0.000 0.972 151 Q CA 0.632 56.140 55.803 -0.492 0.000 0.847 151 Q CB 0.028 28.179 28.738 -0.978 0.000 0.903 151 Q HN 0.366 nan 8.270 nan 0.000 0.433 152 I N 1.025 121.574 120.570 -0.035 0.000 2.394 152 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 152 I C 1.782 177.945 176.117 0.076 0.000 1.136 152 I CA 0.508 61.832 61.300 0.039 0.000 1.425 152 I CB -0.238 37.768 38.000 0.009 0.000 1.079 152 I HN 0.249 nan 8.210 nan 0.000 0.425 153 N N 0.538 119.301 118.700 0.104 0.000 2.039 153 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 153 N C 1.853 177.467 175.510 0.173 0.000 1.044 153 N CA 1.969 55.138 53.050 0.199 0.000 0.847 153 N CB -0.725 37.863 38.487 0.169 0.000 1.030 153 N HN 0.259 nan 8.380 nan 0.000 0.422 154 T N 2.713 117.371 114.554 0.174 0.000 2.653 154 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 154 T C 2.240 177.052 174.700 0.186 0.000 1.035 154 T CA 0.963 63.189 62.100 0.211 0.000 1.154 154 T CB -0.459 68.610 68.868 0.334 0.000 0.862 154 T HN 0.123 nan 8.240 nan 0.000 0.441 155 L N 1.066 122.417 121.223 0.214 0.000 1.989 155 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 155 L C 2.732 179.596 176.870 -0.010 0.000 1.071 155 L CA 1.392 56.291 54.840 0.098 0.000 0.749 155 L CB -0.709 41.416 42.059 0.110 0.000 0.890 155 L HN 0.285 nan 8.230 nan 0.000 0.431 156 V N -4.184 115.713 119.914 -0.029 0.000 3.217 156 V HA -0.049 4.071 4.120 -0.000 0.000 0.264 156 V C 1.920 178.044 176.094 0.050 0.000 1.135 156 V CA 1.424 63.660 62.300 -0.107 0.000 1.142 156 V CB -0.916 30.706 31.823 -0.334 0.000 0.754 156 V HN 0.605 nan 8.190 nan 0.000 0.484 157 T N -1.913 112.705 114.554 0.106 0.000 3.069 157 T HA 0.388 4.737 4.350 -0.000 0.000 0.252 157 T C 0.535 175.283 174.700 0.080 0.000 1.053 157 T CA -0.290 61.913 62.100 0.171 0.000 0.964 157 T CB -0.510 68.469 68.868 0.186 0.000 1.005 157 T HN 0.414 nan 8.240 nan 0.000 0.532 158 L N 2.362 123.620 121.223 0.058 0.000 2.499 158 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 158 L C -2.158 174.722 176.870 0.017 0.000 1.195 158 L CA -1.905 52.955 54.840 0.032 0.000 0.882 158 L CB -0.208 41.862 42.059 0.019 0.000 1.133 158 L HN -0.033 nan 8.230 nan 0.000 0.483 159 P HA 0.001 nan 4.420 nan 0.000 0.260 159 P C 0.762 178.059 177.300 -0.006 0.000 1.185 159 P CA 0.874 63.964 63.100 -0.017 0.000 0.763 159 P CB 0.609 32.298 31.700 -0.018 0.000 0.776 160 G N 1.633 110.428 108.800 -0.007 0.000 2.201 160 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.212 160 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.212 160 G C -0.043 174.884 174.900 0.044 0.000 0.994 160 G CA -0.375 44.733 45.100 0.013 0.000 0.644 160 G HN 0.499 nan 8.290 nan 0.000 0.508 161 V N 1.772 121.721 119.914 0.057 0.000 2.408 161 V HA 0.568 4.688 4.120 -0.000 0.000 0.267 161 V C 1.576 177.760 176.094 0.150 0.000 1.047 161 V CA 0.878 63.227 62.300 0.081 0.000 0.937 161 V CB 1.147 32.996 31.823 0.042 0.000 0.999 161 V HN 0.533 nan 8.190 nan 0.000 0.472 162 G N 3.436 112.308 108.800 0.119 0.000 2.796 162 G HA2 0.544 4.503 3.960 -0.000 0.000 0.210 162 G HA3 0.544 4.503 3.960 -0.000 0.000 0.210 162 G C 0.344 175.277 174.900 0.055 0.000 1.146 162 G CA 0.755 45.930 45.100 0.125 0.000 0.779 162 G HN 0.990 nan 8.290 nan 0.000 0.535 163 A N -0.779 122.057 122.820 0.027 0.000 2.605 163 A HA 0.646 4.966 4.320 -0.000 0.000 0.294 163 A C -2.199 175.376 177.584 -0.014 0.000 1.062 163 A CA -0.586 51.440 52.037 -0.018 0.000 0.682 163 A CB 1.443 20.523 19.000 0.134 0.000 1.278 163 A HN 0.614 nan 8.150 nan 0.000 0.410 164 L N 0.771 121.958 121.223 -0.059 0.000 2.372 164 L HA 0.602 4.942 4.340 -0.000 0.000 0.274 164 L C -0.226 176.658 176.870 0.023 0.000 0.988 164 L CA -0.263 54.552 54.840 -0.041 0.000 0.833 164 L CB 1.452 43.448 42.059 -0.106 0.000 1.236 164 L HN 0.678 nan 8.230 nan 0.000 0.410 165 K N 3.511 123.890 120.400 -0.035 0.000 2.316 165 K HA 0.240 4.560 4.320 -0.000 0.000 0.289 165 K C -0.549 175.913 176.600 -0.230 0.000 1.070 165 K CA -0.263 55.910 56.287 -0.189 0.000 0.928 165 K CB 0.621 32.757 32.500 -0.607 0.000 1.039 165 K HN 0.696 nan 8.250 nan 0.000 0.480 166 Q N 3.379 123.094 119.800 -0.143 0.000 2.563 166 Q HA 0.145 4.485 4.340 -0.000 0.000 0.232 166 Q C -1.221 174.677 176.000 -0.170 0.000 1.106 166 Q CA -0.313 55.421 55.803 -0.115 0.000 0.913 166 Q CB 0.849 29.551 28.738 -0.061 0.000 1.175 166 Q HN 0.483 nan 8.270 nan 0.000 0.540 167 T N 1.440 115.846 114.554 -0.247 0.000 3.766 167 T HA 0.405 4.755 4.350 -0.000 0.000 0.327 167 T C -0.518 173.956 174.700 -0.377 0.000 1.595 167 T CA -0.309 61.518 62.100 -0.456 0.000 1.204 167 T CB -0.182 68.453 68.868 -0.389 0.000 1.245 167 T HN 0.372 nan 8.240 nan 0.000 0.875 168 S N 0.302 115.900 115.700 -0.170 0.000 2.533 168 S HA 0.591 5.061 4.470 -0.000 0.000 0.271 168 S C 0.867 175.666 174.600 0.331 0.000 1.143 168 S CA -0.519 57.768 58.200 0.145 0.000 0.891 168 S CB 1.396 64.636 63.200 0.067 0.000 1.105 168 S HN 0.471 nan 8.310 nan 0.000 0.468 169 G N 1.516 110.542 108.800 0.377 0.000 3.088 169 G HA2 0.137 4.096 3.960 -0.000 0.000 0.217 169 G HA3 0.137 4.096 3.960 -0.000 0.000 0.217 169 G C 0.021 174.996 174.900 0.125 0.000 1.159 169 G CA -0.123 45.112 45.100 0.226 0.000 0.760 169 G HN 0.666 nan 8.290 nan 0.000 0.550 170 D N 1.060 121.531 120.400 0.119 0.000 2.402 170 D HA 0.146 4.786 4.640 -0.000 0.000 0.235 170 D C 1.430 177.783 176.300 0.089 0.000 1.226 170 D CA -0.362 53.695 54.000 0.095 0.000 0.918 170 D CB 0.385 41.232 40.800 0.079 0.000 1.043 170 D HN 0.065 nan 8.370 nan 0.000 0.506 171 L N 3.507 124.788 121.223 0.098 0.000 2.554 171 L HA -0.083 4.257 4.340 -0.000 0.000 0.226 171 L C 1.584 178.535 176.870 0.135 0.000 1.137 171 L CA 0.138 55.032 54.840 0.089 0.000 0.863 171 L CB -0.339 41.761 42.059 0.069 0.000 0.985 171 L HN 0.459 nan 8.230 nan 0.000 0.451 172 Y N 1.342 121.648 120.300 0.010 0.000 2.133 172 Y HA -0.286 4.264 4.550 -0.000 0.000 0.287 172 Y C 2.598 178.501 175.900 0.004 0.000 1.134 172 Y CA 1.694 59.797 58.100 0.005 0.000 1.133 172 Y CB -0.520 37.943 38.460 0.005 0.000 0.987 172 Y HN 0.168 nan 8.280 nan 0.000 0.502 173 Q N -0.568 119.145 119.800 -0.145 0.000 2.226 173 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 173 Q C 2.240 178.178 176.000 -0.103 0.000 0.975 173 Q CA 1.814 57.481 55.803 -0.226 0.000 0.866 173 Q CB -0.177 28.475 28.738 -0.144 0.000 0.915 173 Q HN 0.585 nan 8.270 nan 0.000 0.440 174 M N 0.555 120.136 119.600 -0.031 0.000 2.086 174 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 174 M C 1.926 178.216 176.300 -0.017 0.000 1.067 174 M CA 1.695 56.984 55.300 -0.018 0.000 1.116 174 M CB -0.245 32.356 32.600 0.001 0.000 1.348 174 M HN 0.120 nan 8.290 nan 0.000 0.407 175 E N 0.087 120.292 120.200 0.008 0.000 2.085 175 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 175 E C 1.917 178.513 176.600 -0.006 0.000 0.994 175 E CA 1.865 58.278 56.400 0.021 0.000 0.801 175 E CB -0.319 29.429 29.700 0.081 0.000 0.743 175 E HN 0.738 nan 8.360 nan 0.000 0.453 176 Q N -0.142 119.625 119.800 -0.055 0.000 2.124 176 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 176 Q C 2.465 178.420 176.000 -0.074 0.000 0.977 176 Q CA 1.335 57.080 55.803 -0.098 0.000 0.850 176 Q CB -0.061 28.535 28.738 -0.237 0.000 0.901 176 Q HN 0.360 nan 8.270 nan 0.000 0.429 177 I N 0.192 120.734 120.570 -0.047 0.000 2.252 177 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 177 I C 2.505 178.647 176.117 0.041 0.000 1.102 177 I CA 0.864 62.179 61.300 0.025 0.000 1.385 177 I CB -0.089 37.922 38.000 0.017 0.000 1.064 177 I HN 0.074 nan 8.210 nan 0.000 0.414 178 R N 1.549 122.049 120.500 0.001 0.000 2.092 178 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 178 R C 2.282 178.573 176.300 -0.014 0.000 1.119 178 R CA 1.606 57.705 56.100 -0.001 0.000 0.970 178 R CB -0.558 29.734 30.300 -0.014 0.000 0.864 178 R HN 0.237 nan 8.270 nan 0.000 0.440 179 R N 0.041 120.522 120.500 -0.032 0.000 2.081 179 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 179 R C 1.854 178.101 176.300 -0.089 0.000 1.131 179 R CA 1.997 58.071 56.100 -0.043 0.000 0.960 179 R CB -0.345 29.936 30.300 -0.032 0.000 0.856 179 R HN 0.266 nan 8.270 nan 0.000 0.436 180 E N -0.383 119.716 120.200 -0.168 0.000 2.358 180 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 180 E C -0.475 175.810 176.600 -0.525 0.000 1.010 180 E CA 0.980 57.165 56.400 -0.359 0.000 0.856 180 E CB 0.241 29.650 29.700 -0.486 0.000 0.795 180 E HN 0.609 nan 8.360 nan 0.000 0.504 181 H N -1.540 117.518 119.070 -0.019 0.000 2.490 181 H HA 0.205 4.761 4.556 -0.000 0.000 0.230 181 H C -2.121 173.190 175.328 -0.029 0.000 1.417 181 H CA -1.567 54.468 56.048 -0.023 0.000 1.449 181 H CB 1.360 31.056 29.762 -0.109 0.000 1.649 181 H HN 0.079 nan 8.280 nan 0.000 0.519 182 P HA -0.146 nan 4.420 nan 0.000 0.220 182 P C 0.845 178.179 177.300 0.057 0.000 1.148 182 P CA 1.168 64.294 63.100 0.042 0.000 0.803 182 P CB 0.514 32.227 31.700 0.021 0.000 0.782 183 D N -1.108 119.355 120.400 0.106 0.000 2.305 183 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 183 D C 0.930 177.287 176.300 0.096 0.000 0.974 183 D CA 0.012 54.097 54.000 0.143 0.000 0.871 183 D CB -0.112 40.814 40.800 0.210 0.000 0.947 183 D HN 0.127 nan 8.370 nan 0.000 0.516 184 L N 1.808 123.026 121.223 -0.008 0.000 2.514 184 L HA -0.007 4.333 4.340 -0.000 0.000 0.280 184 L C -0.276 176.497 176.870 -0.163 0.000 1.223 184 L CA 0.047 54.760 54.840 -0.212 0.000 0.864 184 L CB 0.872 42.670 42.059 -0.434 0.000 1.118 184 L HN -0.314 nan 8.230 nan 0.000 0.494 185 V N 6.489 126.284 119.914 -0.198 0.000 2.455 185 V HA 0.212 4.332 4.120 -0.000 0.000 0.273 185 V C -0.074 175.776 176.094 -0.406 0.000 1.045 185 V CA -0.263 61.858 62.300 -0.299 0.000 0.976 185 V CB 0.900 32.535 31.823 -0.314 0.000 0.993 185 V HN 0.611 nan 8.190 nan 0.000 0.475 186 L N 7.815 128.786 121.223 -0.420 0.000 2.442 186 L HA 0.504 4.844 4.340 -0.000 0.000 0.261 186 L C -1.102 175.615 176.870 -0.255 0.000 1.000 186 L CA -0.416 54.248 54.840 -0.292 0.000 0.882 186 L CB 0.993 42.950 42.059 -0.170 0.000 1.207 186 L HN 0.506 nan 8.230 nan 0.000 0.443 187 Y N 2.605 122.859 120.300 -0.077 0.000 2.404 187 Y HA 0.296 4.846 4.550 -0.000 0.000 0.344 187 Y C 0.931 176.781 175.900 -0.083 0.000 0.995 187 Y CA -0.319 57.742 58.100 -0.066 0.000 1.201 187 Y CB 0.516 38.917 38.460 -0.098 0.000 1.151 187 Y HN 0.637 nan 8.280 nan 0.000 0.517 188 N N 1.958 120.720 118.700 0.104 0.000 2.429 188 N HA 0.049 4.789 4.740 -0.000 0.000 0.271 188 N C 1.140 176.704 175.510 0.090 0.000 1.272 188 N CA 0.588 53.680 53.050 0.070 0.000 0.921 188 N CB 0.661 39.160 38.487 0.020 0.000 1.128 188 N HN 0.897 nan 8.380 nan 0.000 0.481 189 G N 2.632 111.411 108.800 -0.036 0.000 2.426 189 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 189 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 189 G C -0.224 174.587 174.900 -0.148 0.000 1.156 189 G CA 0.300 45.288 45.100 -0.187 0.000 0.802 189 G HN 0.544 nan 8.290 nan 0.000 0.534 190 Y N 2.128 122.453 120.300 0.042 0.000 2.477 190 Y HA 0.275 4.824 4.550 -0.000 0.000 0.349 190 Y C 0.842 176.827 175.900 0.143 0.000 0.977 190 Y CA -1.645 56.493 58.100 0.063 0.000 1.214 190 Y CB 1.142 39.637 38.460 0.058 0.000 1.124 190 Y HN 0.050 nan 8.280 nan 0.000 0.521 191 D N 1.189 121.768 120.400 0.297 0.000 2.149 191 D HA -0.224 4.415 4.640 -0.000 0.000 0.198 191 D C 1.441 177.980 176.300 0.398 0.000 0.990 191 D CA 1.674 55.876 54.000 0.336 0.000 0.839 191 D CB -0.137 40.786 40.800 0.206 0.000 0.948 191 D HN 0.623 nan 8.370 nan 0.000 0.460 192 N N 0.843 119.702 118.700 0.265 0.000 2.571 192 N HA -0.087 4.653 4.740 -0.000 0.000 0.189 192 N C 1.182 176.790 175.510 0.163 0.000 1.154 192 N CA 0.319 53.478 53.050 0.181 0.000 0.907 192 N CB -0.636 37.903 38.487 0.087 0.000 0.977 192 N HN 0.453 nan 8.380 nan 0.000 0.449 193 I N -5.948 114.755 120.570 0.221 0.000 3.817 193 I HA 0.402 4.572 4.170 -0.000 0.000 0.325 193 I C 0.651 176.902 176.117 0.224 0.000 1.550 193 I CA -0.796 60.612 61.300 0.180 0.000 1.100 193 I CB -0.247 37.827 38.000 0.124 0.000 1.216 193 I HN -0.213 nan 8.210 nan 0.000 0.481 194 F N 2.934 122.986 119.950 0.170 0.000 2.065 194 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 194 F C 2.510 178.378 175.800 0.113 0.000 1.112 194 F CA 2.716 60.826 58.000 0.183 0.000 1.212 194 F CB -0.069 39.121 39.000 0.316 0.000 0.975 194 F HN 0.255 nan 8.300 nan 0.000 0.476 195 A N -0.680 122.267 122.820 0.211 0.000 1.883 195 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 195 A C 2.345 179.923 177.584 -0.010 0.000 1.186 195 A CA 2.208 54.288 52.037 0.072 0.000 0.624 195 A CB -1.362 17.700 19.000 0.104 0.000 0.822 195 A HN 0.452 nan 8.150 nan 0.000 0.444 196 S N -0.461 115.255 115.700 0.026 0.000 2.382 196 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 196 S C 2.033 176.623 174.600 -0.017 0.000 1.027 196 S CA 1.134 59.341 58.200 0.012 0.000 0.991 196 S CB -0.631 62.590 63.200 0.035 0.000 0.823 196 S HN 0.791 nan 8.310 nan 0.000 0.469 197 G N 1.854 110.632 108.800 -0.038 0.000 2.402 197 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.216 197 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.216 197 G C 1.323 176.143 174.900 -0.132 0.000 1.162 197 G CA 0.569 45.629 45.100 -0.068 0.000 0.777 197 G HN 0.434 nan 8.290 nan 0.000 0.539 198 L N -0.330 120.752 121.223 -0.234 0.000 2.012 198 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 198 L C 2.729 179.534 176.870 -0.108 0.000 1.073 198 L CA 0.791 55.500 54.840 -0.218 0.000 0.748 198 L CB -0.622 41.270 42.059 -0.278 0.000 0.891 198 L HN 0.213 nan 8.230 nan 0.000 0.431 199 L N 0.395 121.573 121.223 -0.074 0.000 2.083 199 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 199 L C 2.579 179.434 176.870 -0.025 0.000 1.083 199 L CA 1.855 56.673 54.840 -0.037 0.000 0.752 199 L CB -0.649 41.398 42.059 -0.019 0.000 0.899 199 L HN 0.156 nan 8.230 nan 0.000 0.433 200 A N -1.429 121.377 122.820 -0.023 0.000 2.121 200 A HA 0.271 4.591 4.320 -0.000 0.000 0.218 200 A C 1.843 179.418 177.584 -0.015 0.000 1.154 200 A CA 1.229 53.263 52.037 -0.005 0.000 0.679 200 A CB -0.626 18.379 19.000 0.009 0.000 0.795 200 A HN 0.732 nan 8.150 nan 0.000 0.458 201 G N -3.115 105.661 108.800 -0.040 0.000 2.613 201 G HA2 0.300 4.260 3.960 -0.000 0.000 0.199 201 G HA3 0.300 4.260 3.960 -0.000 0.000 0.199 201 G C 0.361 175.221 174.900 -0.067 0.000 0.991 201 G CA 0.047 45.121 45.100 -0.043 0.000 0.756 201 G HN 1.265 nan 8.290 nan 0.000 0.515 202 A N 0.967 123.731 122.820 -0.092 0.000 2.425 202 A HA 0.522 4.842 4.320 -0.000 0.000 0.242 202 A C 0.837 178.340 177.584 -0.135 0.000 1.077 202 A CA 1.059 53.023 52.037 -0.122 0.000 0.781 202 A CB 0.261 19.174 19.000 -0.145 0.000 1.020 202 A HN 0.756 nan 8.150 nan 0.000 0.494 203 D N -0.478 119.846 120.400 -0.128 0.000 2.571 203 D HA 0.461 5.101 4.640 -0.000 0.000 0.239 203 D C 0.305 176.576 176.300 -0.048 0.000 1.267 203 D CA 0.515 54.459 54.000 -0.094 0.000 0.823 203 D CB 0.017 40.768 40.800 -0.082 0.000 1.056 203 D HN 0.956 nan 8.370 nan 0.000 0.494 204 G N -1.646 107.137 108.800 -0.029 0.000 2.360 204 G HA2 0.564 4.524 3.960 -0.000 0.000 0.276 204 G HA3 0.564 4.524 3.960 -0.000 0.000 0.276 204 G C -1.067 174.015 174.900 0.304 0.000 1.256 204 G CA -0.332 44.878 45.100 0.183 0.000 0.890 204 G HN 0.662 nan 8.290 nan 0.000 0.486 205 G N -1.220 107.936 108.800 0.592 0.000 2.632 205 G HA2 0.638 4.598 3.960 -0.000 0.000 0.292 205 G HA3 0.638 4.598 3.960 -0.000 0.000 0.292 205 G C -1.629 173.509 174.900 0.398 0.000 1.465 205 G CA -0.619 44.831 45.100 0.584 0.000 0.824 205 G HN 0.809 nan 8.290 nan 0.000 0.509 206 I N 0.587 121.159 120.570 0.004 0.000 2.404 206 I HA 0.751 4.921 4.170 -0.000 0.000 0.293 206 I C 0.556 176.293 176.117 -0.632 0.000 0.992 206 I CA -0.555 60.531 61.300 -0.357 0.000 1.149 206 I CB 2.248 39.828 38.000 -0.700 0.000 1.315 206 I HN 0.767 nan 8.210 nan 0.000 0.446 207 G N 2.042 110.104 108.800 -1.231 0.000 2.720 207 G HA2 0.366 4.325 3.960 -0.000 0.000 0.295 207 G HA3 0.366 4.325 3.960 -0.000 0.000 0.295 207 G C 0.160 174.478 174.900 -0.971 0.000 1.437 207 G CA -0.087 44.217 45.100 -1.328 0.000 0.886 207 G HN 0.602 nan 8.290 nan 0.000 0.509 208 S N -0.720 114.691 115.700 -0.482 0.000 2.414 208 S HA -0.115 4.354 4.470 -0.000 0.000 0.227 208 S C 2.193 176.702 174.600 -0.153 0.000 1.022 208 S CA 2.051 60.110 58.200 -0.234 0.000 0.958 208 S CB -0.430 62.754 63.200 -0.027 0.000 0.797 208 S HN 1.245 nan 8.310 nan 0.000 0.493 209 T N -1.758 112.710 114.554 -0.143 0.000 3.118 209 T HA 0.081 4.431 4.350 -0.000 0.000 0.260 209 T C 1.292 176.072 174.700 0.133 0.000 1.139 209 T CA 0.158 62.279 62.100 0.034 0.000 1.085 209 T CB -0.680 68.273 68.868 0.141 0.000 0.934 209 T HN 0.384 nan 8.240 nan 0.000 0.518 210 Y N 2.324 122.510 120.300 -0.189 0.000 2.421 210 Y HA 0.139 4.689 4.550 -0.000 0.000 0.292 210 Y C 2.299 178.180 175.900 -0.032 0.000 1.136 210 Y CA -0.748 57.246 58.100 -0.176 0.000 1.255 210 Y CB -1.185 37.113 38.460 -0.271 0.000 0.991 210 Y HN 0.322 nan 8.280 nan 0.000 0.552 211 N N 0.888 119.670 118.700 0.138 0.000 2.272 211 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 211 N C 1.609 177.289 175.510 0.284 0.000 1.014 211 N CA 1.923 55.077 53.050 0.174 0.000 0.870 211 N CB -0.127 38.415 38.487 0.091 0.000 0.975 211 N HN 0.591 nan 8.380 nan 0.000 0.433 212 I N -3.181 117.514 120.570 0.209 0.000 4.288 212 I HA 0.270 4.440 4.170 -0.000 0.000 0.331 212 I C 0.986 177.159 176.117 0.094 0.000 1.322 212 I CA 0.036 61.481 61.300 0.242 0.000 1.149 212 I CB 0.320 38.414 38.000 0.157 0.000 1.112 212 I HN -0.113 nan 8.210 nan 0.000 0.403 213 M N -0.317 119.195 119.600 -0.146 0.000 4.307 213 M HA 0.515 4.995 4.480 -0.000 0.000 0.538 213 M C 0.761 176.639 176.300 -0.703 0.000 1.979 213 M CA -0.056 54.725 55.300 -0.866 0.000 0.596 213 M CB -0.048 32.145 32.600 -0.680 0.000 1.471 213 M HN -0.042 nan 8.290 nan 0.000 0.585 214 G N 1.862 110.518 108.800 -0.241 0.000 2.469 214 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 214 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 214 G C 0.909 175.712 174.900 -0.161 0.000 1.136 214 G CA 1.604 46.643 45.100 -0.102 0.000 0.759 214 G HN 0.949 nan 8.290 nan 0.000 0.562 215 W N 1.040 122.315 121.300 -0.041 0.000 2.374 215 W HA 0.067 4.727 4.660 0.000 0.000 0.288 215 W C 2.345 178.808 176.519 -0.092 0.000 1.218 215 W CA 0.685 57.991 57.345 -0.066 0.000 1.245 215 W CB -0.355 29.068 29.460 -0.061 0.000 1.126 215 W HN 0.055 nan 8.180 nan 0.000 0.545 216 R N -0.448 119.539 120.500 -0.856 0.000 2.081 216 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 216 R C 2.133 178.130 176.300 -0.505 0.000 1.131 216 R CA 2.067 57.807 56.100 -0.600 0.000 0.960 216 R CB -0.997 28.833 30.300 -0.783 0.000 0.856 216 R HN 0.292 nan 8.270 nan 0.000 0.436 217 Y N 0.874 120.854 120.300 -0.534 0.000 2.242 217 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 217 Y C 2.652 178.290 175.900 -0.435 0.000 1.137 217 Y CA 0.949 58.608 58.100 -0.735 0.000 1.181 217 Y CB -0.110 37.557 38.460 -1.321 0.000 0.989 217 Y HN 0.007 nan 8.280 nan 0.000 0.527 218 Q N -0.309 119.405 119.800 -0.143 0.000 2.124 218 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 218 Q C 2.601 178.620 176.000 0.031 0.000 0.977 218 Q CA 1.439 57.233 55.803 -0.015 0.000 0.850 218 Q CB -0.900 27.851 28.738 0.023 0.000 0.901 218 Q HN 0.621 nan 8.270 nan 0.000 0.429 219 G N 1.110 109.915 108.800 0.010 0.000 2.440 219 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 219 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 219 G C 1.558 176.481 174.900 0.038 0.000 1.154 219 G CA 0.643 45.762 45.100 0.033 0.000 0.767 219 G HN 0.292 nan 8.290 nan 0.000 0.552 220 I N 0.219 120.811 120.570 0.035 0.000 2.226 220 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 220 I C 2.770 178.987 176.117 0.166 0.000 1.100 220 I CA 0.375 61.744 61.300 0.115 0.000 1.374 220 I CB -0.317 37.804 38.000 0.202 0.000 1.057 220 I HN 0.025 nan 8.210 nan 0.000 0.413 221 V N 1.232 121.279 119.914 0.221 0.000 2.255 221 V HA -0.360 3.760 4.120 -0.000 0.000 0.247 221 V C 2.595 178.743 176.094 0.091 0.000 1.051 221 V CA 2.271 64.674 62.300 0.172 0.000 1.018 221 V CB -0.658 31.278 31.823 0.188 0.000 0.641 221 V HN 0.439 nan 8.190 nan 0.000 0.445 222 K N 0.015 120.460 120.400 0.076 0.000 2.002 222 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 222 K C 2.215 178.840 176.600 0.042 0.000 1.048 222 K CA 1.659 57.977 56.287 0.051 0.000 0.930 222 K CB -0.422 32.105 32.500 0.046 0.000 0.714 222 K HN 0.405 nan 8.250 nan 0.000 0.438 223 A N 1.276 124.122 122.820 0.044 0.000 1.917 223 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 223 A C 2.147 179.749 177.584 0.030 0.000 1.182 223 A CA 1.627 53.684 52.037 0.034 0.000 0.633 223 A CB -0.677 18.343 19.000 0.034 0.000 0.819 223 A HN 0.363 nan 8.150 nan 0.000 0.448 224 L N -1.019 120.225 121.223 0.036 0.000 2.156 224 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 224 L C 2.562 179.442 176.870 0.017 0.000 1.095 224 L CA 1.262 56.116 54.840 0.023 0.000 0.770 224 L CB -0.319 41.751 42.059 0.018 0.000 0.914 224 L HN 0.320 nan 8.230 nan 0.000 0.439 225 K N 0.430 120.843 120.400 0.022 0.000 2.057 225 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 225 K C 1.043 177.652 176.600 0.015 0.000 1.049 225 K CA 1.315 57.613 56.287 0.018 0.000 0.931 225 K CB -0.042 32.471 32.500 0.022 0.000 0.714 225 K HN 0.401 nan 8.250 nan 0.000 0.440 226 E N -0.096 120.115 120.200 0.017 0.000 2.311 226 E HA 0.085 4.435 4.350 -0.000 0.000 0.198 226 E C 0.366 176.974 176.600 0.012 0.000 1.115 226 E CA -0.036 56.373 56.400 0.014 0.000 1.140 226 E CB 0.346 30.055 29.700 0.016 0.000 1.204 226 E HN 0.414 nan 8.360 nan 0.000 0.446 227 G N 2.664 111.471 108.800 0.011 0.000 2.269 227 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.277 227 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.277 227 G C -0.047 174.859 174.900 0.010 0.000 1.008 227 G CA 0.752 45.857 45.100 0.009 0.000 0.774 227 G HN 0.380 nan 8.290 nan 0.000 0.511 228 D N -0.064 120.344 120.400 0.013 0.000 2.505 228 D HA 0.420 5.060 4.640 -0.000 0.000 0.242 228 D C 1.666 177.975 176.300 0.015 0.000 1.136 228 D CA -0.787 53.221 54.000 0.013 0.000 0.954 228 D CB -0.311 40.498 40.800 0.015 0.000 1.002 228 D HN 0.232 nan 8.370 nan 0.000 0.512 229 I N 1.487 122.064 120.570 0.012 0.000 2.439 229 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 229 I C 2.060 178.185 176.117 0.012 0.000 1.139 229 I CA 0.560 61.868 61.300 0.013 0.000 1.438 229 I CB 0.076 38.081 38.000 0.010 0.000 1.085 229 I HN 0.334 nan 8.210 nan 0.000 0.427 230 Q N 0.751 120.558 119.800 0.010 0.000 2.119 230 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 230 Q C 2.122 178.127 176.000 0.009 0.000 0.972 230 Q CA 2.048 57.856 55.803 0.009 0.000 0.847 230 Q CB -0.182 28.561 28.738 0.008 0.000 0.903 230 Q HN 0.344 nan 8.270 nan 0.000 0.433 231 T N 0.016 114.577 114.554 0.012 0.000 2.777 231 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 231 T C 1.687 176.394 174.700 0.011 0.000 1.040 231 T CA 1.092 63.199 62.100 0.012 0.000 1.141 231 T CB -0.536 68.342 68.868 0.016 0.000 0.868 231 T HN 0.452 nan 8.240 nan 0.000 0.444 232 A N 1.634 124.465 122.820 0.018 0.000 1.859 232 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 232 A C 2.258 179.852 177.584 0.017 0.000 1.198 232 A CA 1.990 54.043 52.037 0.026 0.000 0.629 232 A CB -0.866 18.155 19.000 0.035 0.000 0.830 232 A HN 0.562 nan 8.150 nan 0.000 0.446 233 Q N -1.055 118.754 119.800 0.014 0.000 2.124 233 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 233 Q C 2.252 178.251 176.000 -0.002 0.000 0.977 233 Q CA 1.429 57.238 55.803 0.009 0.000 0.850 233 Q CB -0.159 28.584 28.738 0.009 0.000 0.901 233 Q HN 0.500 nan 8.270 nan 0.000 0.429 234 K N 1.032 121.429 120.400 -0.004 0.000 2.026 234 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 234 K C 1.976 178.558 176.600 -0.030 0.000 1.048 234 K CA 1.119 57.400 56.287 -0.010 0.000 0.929 234 K CB -0.225 32.274 32.500 -0.002 0.000 0.713 234 K HN 0.223 nan 8.250 nan 0.000 0.439 235 L N 0.677 121.874 121.223 -0.044 0.000 2.056 235 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 235 L C 2.754 179.538 176.870 -0.143 0.000 1.078 235 L CA 1.168 55.947 54.840 -0.103 0.000 0.749 235 L CB -0.404 41.585 42.059 -0.117 0.000 0.901 235 L HN 0.186 nan 8.230 nan 0.000 0.433 236 Q N -0.173 119.576 119.800 -0.084 0.000 2.084 236 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 236 Q C 2.139 178.108 176.000 -0.051 0.000 0.978 236 Q CA 2.316 58.081 55.803 -0.063 0.000 0.844 236 Q CB -0.378 28.370 28.738 0.016 0.000 0.898 236 Q HN 0.305 nan 8.270 nan 0.000 0.426 237 T N 0.909 115.444 114.554 -0.033 0.000 2.720 237 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 237 T C 1.362 176.041 174.700 -0.035 0.000 1.037 237 T CA 1.493 63.580 62.100 -0.023 0.000 1.144 237 T CB -0.179 68.682 68.868 -0.012 0.000 0.864 237 T HN 0.312 nan 8.240 nan 0.000 0.444 238 E N 0.450 120.617 120.200 -0.055 0.000 2.106 238 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 238 E C 2.564 179.113 176.600 -0.086 0.000 0.984 238 E CA 0.590 56.955 56.400 -0.057 0.000 0.806 238 E CB -0.707 28.959 29.700 -0.057 0.000 0.750 238 E HN 0.510 nan 8.360 nan 0.000 0.458 239 C N 1.015 120.224 119.300 -0.152 0.000 2.425 239 C HA -0.096 4.363 4.460 -0.000 0.000 0.277 239 C C 2.357 177.325 174.990 -0.036 0.000 1.280 239 C CA 0.704 59.625 59.018 -0.162 0.000 1.744 239 C CB -1.318 26.217 27.740 -0.343 0.000 1.989 239 C HN 0.504 nan 8.230 nan 0.000 0.491 240 N N 0.158 118.845 118.700 -0.021 0.000 2.354 240 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 240 N C 1.753 177.265 175.510 0.004 0.000 1.021 240 N CA 0.586 53.642 53.050 0.010 0.000 0.887 240 N CB -0.074 38.422 38.487 0.013 0.000 0.974 240 N HN 0.574 nan 8.380 nan 0.000 0.437 241 K N 0.783 121.180 120.400 -0.004 0.000 2.063 241 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 241 K C 1.945 178.548 176.600 0.005 0.000 1.048 241 K CA 1.016 57.303 56.287 0.001 0.000 0.928 241 K CB -0.108 32.392 32.500 0.000 0.000 0.713 241 K HN 0.048 nan 8.250 nan 0.000 0.442 242 V N 1.548 121.465 119.914 0.004 0.000 2.407 242 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 242 V C 2.197 178.301 176.094 0.017 0.000 1.041 242 V CA 1.295 63.603 62.300 0.013 0.000 1.040 242 V CB -0.294 31.537 31.823 0.013 0.000 0.671 242 V HN 0.233 nan 8.190 nan 0.000 0.455 243 I N 0.253 120.839 120.570 0.027 0.000 2.163 243 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 243 I C 2.287 178.406 176.117 0.004 0.000 1.085 243 I CA 1.766 63.084 61.300 0.031 0.000 1.347 243 I CB -0.513 37.520 38.000 0.055 0.000 1.044 243 I HN 0.319 nan 8.210 nan 0.000 0.408 244 D N 0.616 121.016 120.400 0.001 0.000 2.160 244 D HA -0.249 4.391 4.640 -0.000 0.000 0.189 244 D C 1.929 178.213 176.300 -0.027 0.000 1.003 244 D CA 1.425 55.420 54.000 -0.010 0.000 0.846 244 D CB -0.415 40.385 40.800 -0.001 0.000 0.949 244 D HN 0.146 nan 8.370 nan 0.000 0.446 245 L N 0.362 121.571 121.223 -0.023 0.000 2.012 245 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 245 L C 2.169 178.982 176.870 -0.096 0.000 1.073 245 L CA 1.497 56.308 54.840 -0.049 0.000 0.748 245 L CB -0.634 41.417 42.059 -0.013 0.000 0.891 245 L HN 0.111 nan 8.230 nan 0.000 0.431 246 L N -1.134 120.056 121.223 -0.056 0.000 2.083 246 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 246 L C 2.535 179.349 176.870 -0.093 0.000 1.083 246 L CA 1.323 56.126 54.840 -0.063 0.000 0.752 246 L CB -0.527 41.525 42.059 -0.012 0.000 0.899 246 L HN 0.284 nan 8.230 nan 0.000 0.433 247 I N -0.145 120.380 120.570 -0.076 0.000 2.286 247 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 247 I C 2.498 178.546 176.117 -0.116 0.000 1.115 247 I CA 1.410 62.662 61.300 -0.079 0.000 1.392 247 I CB -0.188 37.782 38.000 -0.051 0.000 1.065 247 I HN 0.260 nan 8.210 nan 0.000 0.418 248 K N 0.068 120.369 120.400 -0.165 0.000 2.062 248 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 248 K C 2.087 178.411 176.600 -0.460 0.000 1.051 248 K CA 1.961 58.099 56.287 -0.249 0.000 0.941 248 K CB -0.425 31.913 32.500 -0.269 0.000 0.719 248 K HN 0.440 nan 8.250 nan 0.000 0.440 249 T N -1.687 112.554 114.554 -0.522 0.000 3.023 249 T HA 0.107 4.457 4.350 -0.000 0.000 0.266 249 T C 0.895 175.480 174.700 -0.191 0.000 1.093 249 T CA 0.431 62.232 62.100 -0.499 0.000 1.129 249 T CB -0.107 68.564 68.868 -0.328 0.000 0.899 249 T HN 0.343 nan 8.240 nan 0.000 0.491 250 G N 0.045 108.757 108.800 -0.146 0.000 3.338 250 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.686 250 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.686 250 G C 0.214 175.042 174.900 -0.121 0.000 1.053 250 G CA -0.501 44.539 45.100 -0.100 0.000 0.852 250 G HN 0.291 nan 8.290 nan 0.000 0.545 251 V N 3.530 123.344 119.914 -0.166 0.000 2.237 251 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 251 V C 2.679 178.781 176.094 0.015 0.000 1.046 251 V CA 2.634 64.871 62.300 -0.105 0.000 1.007 251 V CB -0.807 30.936 31.823 -0.133 0.000 0.638 251 V HN 0.702 nan 8.190 nan 0.000 0.445 252 F N 1.530 121.399 119.950 -0.135 0.000 2.134 252 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 252 F C 2.611 178.310 175.800 -0.169 0.000 1.097 252 F CA 1.701 59.591 58.000 -0.183 0.000 1.264 252 F CB -1.173 37.641 39.000 -0.310 0.000 1.001 252 F HN 0.249 nan 8.300 nan 0.000 0.479 253 R N -0.048 120.446 120.500 -0.010 0.000 2.193 253 R HA 0.126 4.466 4.340 -0.000 0.000 0.213 253 R C 2.305 178.597 176.300 -0.014 0.000 1.055 253 R CA 1.127 57.207 56.100 -0.033 0.000 0.995 253 R CB -1.231 29.039 30.300 -0.049 0.000 0.893 253 R HN 0.243 nan 8.270 nan 0.000 0.459 254 G N 1.756 110.549 108.800 -0.011 0.000 2.394 254 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 254 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 254 G C 1.475 176.389 174.900 0.024 0.000 1.165 254 G CA 0.326 45.427 45.100 0.001 0.000 0.784 254 G HN 0.155 nan 8.290 nan 0.000 0.535 255 L N -0.135 121.106 121.223 0.030 0.000 2.056 255 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 255 L C 2.927 179.801 176.870 0.006 0.000 1.078 255 L CA 1.117 55.976 54.840 0.033 0.000 0.749 255 L CB -0.240 41.845 42.059 0.044 0.000 0.901 255 L HN 0.138 nan 8.230 nan 0.000 0.433 256 K N -0.646 119.747 120.400 -0.011 0.000 2.097 256 K HA -0.127 4.192 4.320 -0.000 0.000 0.206 256 K C 2.060 178.635 176.600 -0.042 0.000 1.049 256 K CA 1.813 58.076 56.287 -0.040 0.000 0.933 256 K CB -0.185 32.286 32.500 -0.050 0.000 0.717 256 K HN 0.307 nan 8.250 nan 0.000 0.442 257 T N 0.793 115.324 114.554 -0.038 0.000 2.737 257 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 257 T C 2.007 176.695 174.700 -0.021 0.000 1.038 257 T CA 1.190 63.244 62.100 -0.078 0.000 1.144 257 T CB -0.278 68.570 68.868 -0.034 0.000 0.866 257 T HN -0.074 nan 8.240 nan 0.000 0.434 258 V N 1.719 121.679 119.914 0.077 0.000 2.380 258 V HA -0.160 3.960 4.120 -0.000 0.000 0.251 258 V C 2.431 178.552 176.094 0.046 0.000 1.063 258 V CA 1.564 63.941 62.300 0.127 0.000 1.055 258 V CB -0.742 31.148 31.823 0.111 0.000 0.657 258 V HN 0.428 nan 8.190 nan 0.000 0.455 259 L N -0.887 120.320 121.223 -0.027 0.000 2.291 259 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 259 L C 2.472 179.277 176.870 -0.110 0.000 1.120 259 L CA 1.197 55.961 54.840 -0.126 0.000 0.799 259 L CB -0.668 41.304 42.059 -0.144 0.000 0.925 259 L HN 0.502 nan 8.230 nan 0.000 0.446 260 H N -0.641 118.321 119.070 -0.179 0.000 2.333 260 H HA -0.170 4.386 4.556 -0.000 0.000 0.302 260 H C 2.034 177.262 175.328 -0.166 0.000 1.075 260 H CA 1.674 57.590 56.048 -0.220 0.000 1.348 260 H CB 0.093 29.655 29.762 -0.333 0.000 1.393 260 H HN 0.216 nan 8.280 nan 0.000 0.509 261 Y N 0.666 120.887 120.300 -0.132 0.000 2.333 261 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 261 Y C 2.607 178.426 175.900 -0.136 0.000 1.144 261 Y CA 0.748 58.755 58.100 -0.154 0.000 1.228 261 Y CB -0.379 38.067 38.460 -0.023 0.000 0.985 261 Y HN 0.223 nan 8.280 nan 0.000 0.542 262 M N -0.213 119.388 119.600 0.001 0.000 2.682 262 M HA -0.064 4.416 4.480 -0.000 0.000 0.235 262 M C -0.188 176.036 176.300 -0.127 0.000 1.114 262 M CA 0.848 56.106 55.300 -0.070 0.000 1.053 262 M CB -0.079 32.421 32.600 -0.167 0.000 1.599 262 M HN 0.120 nan 8.290 nan 0.000 0.520 263 D N -1.609 118.703 120.400 -0.148 0.000 3.012 263 D HA -0.153 4.487 4.640 -0.000 0.000 0.222 263 D C 0.806 177.029 176.300 -0.129 0.000 1.167 263 D CA 0.541 54.459 54.000 -0.137 0.000 0.854 263 D CB -1.638 39.115 40.800 -0.078 0.000 1.107 263 D HN 0.250 nan 8.370 nan 0.000 0.421 264 V N -0.836 118.968 119.914 -0.184 0.000 2.492 264 V HA 0.010 4.130 4.120 -0.000 0.000 0.241 264 V C 1.254 177.282 176.094 -0.110 0.000 1.041 264 V CA 0.716 62.906 62.300 -0.185 0.000 1.057 264 V CB 0.558 32.156 31.823 -0.376 0.000 0.711 264 V HN 0.102 nan 8.190 nan 0.000 0.468 265 V N 0.828 120.688 119.914 -0.090 0.000 2.347 265 V HA 0.262 4.382 4.120 -0.000 0.000 0.280 265 V C 1.133 177.259 176.094 0.053 0.000 1.021 265 V CA 0.121 62.398 62.300 -0.038 0.000 0.847 265 V CB 1.333 33.123 31.823 -0.056 0.000 0.990 265 V HN 0.364 nan 8.190 nan 0.000 0.444 266 S N 3.721 119.446 115.700 0.042 0.000 2.382 266 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 266 S C 0.547 175.208 174.600 0.100 0.000 1.027 266 S CA 0.881 59.137 58.200 0.092 0.000 0.991 266 S CB 0.119 63.340 63.200 0.037 0.000 0.823 266 S HN 0.539 nan 8.310 nan 0.000 0.469 267 V N 2.855 122.768 119.914 -0.002 0.000 2.569 267 V HA 0.330 4.450 4.120 -0.000 0.000 0.301 267 V C -2.439 173.589 176.094 -0.110 0.000 1.044 267 V CA -1.525 60.720 62.300 -0.093 0.000 0.874 267 V CB 2.219 34.024 31.823 -0.031 0.000 1.002 267 V HN 0.044 nan 8.190 nan 0.000 0.424 268 P HA 0.309 nan 4.420 nan 0.000 0.241 268 P C -0.310 176.952 177.300 -0.064 0.000 1.783 268 P CA -0.066 62.947 63.100 -0.145 0.000 1.052 268 P CB 0.393 31.946 31.700 -0.245 0.000 1.594 269 L N -0.060 121.162 121.223 -0.001 0.000 2.343 269 L HA 0.375 4.714 4.340 -0.000 0.000 0.275 269 L C 0.652 177.615 176.870 0.155 0.000 1.056 269 L CA -0.680 54.192 54.840 0.053 0.000 0.804 269 L CB 1.290 43.381 42.059 0.053 0.000 1.203 269 L HN 0.040 nan 8.230 nan 0.000 0.440 270 C N 1.343 120.709 119.300 0.109 0.000 2.325 270 C HA 0.432 4.892 4.460 -0.000 0.000 0.370 270 C C 0.657 175.714 174.990 0.112 0.000 1.217 270 C CA -0.818 58.287 59.018 0.146 0.000 2.254 270 C CB 1.272 28.911 27.740 -0.167 0.000 2.282 270 C HN 0.721 nan 8.230 nan 0.000 0.564 271 R N 1.271 121.804 120.500 0.054 0.000 2.390 271 R HA 0.178 4.517 4.340 -0.000 0.000 0.291 271 R C -0.116 176.256 176.300 0.119 0.000 1.070 271 R CA -0.386 55.635 56.100 -0.133 0.000 1.014 271 R CB 0.514 30.581 30.300 -0.388 0.000 1.007 271 R HN 0.537 nan 8.270 nan 0.000 0.466 272 K N 3.445 123.860 120.400 0.024 0.000 2.527 272 K HA -0.028 4.292 4.320 -0.000 0.000 0.278 272 K C -1.488 175.114 176.600 0.003 0.000 0.981 272 K CA -0.860 55.446 56.287 0.032 0.000 1.009 272 K CB 0.268 32.763 32.500 -0.008 0.000 0.895 272 K HN 0.477 nan 8.250 nan 0.000 0.493 273 P HA 0.024 nan 4.420 nan 0.000 0.245 273 P C -0.082 177.186 177.300 -0.053 0.000 1.212 273 P CA 0.006 63.063 63.100 -0.070 0.000 0.774 273 P CB 0.159 31.787 31.700 -0.120 0.000 0.999 274 F N 1.375 121.334 119.950 0.016 0.000 2.602 274 F HA 0.278 4.806 4.527 0.000 0.000 0.367 274 F C 1.853 177.662 175.800 0.015 0.000 1.126 274 F CA 0.744 58.758 58.000 0.024 0.000 1.321 274 F CB 0.024 39.058 39.000 0.056 0.000 1.094 274 F HN -0.077 nan 8.300 nan 0.000 0.594 275 G N 2.834 111.771 108.800 0.228 0.000 2.511 275 G HA2 0.634 4.594 3.960 -0.000 0.000 0.316 275 G HA3 0.634 4.594 3.960 -0.000 0.000 0.316 275 G C -2.712 172.259 174.900 0.118 0.000 1.210 275 G CA -1.419 43.760 45.100 0.131 0.000 0.969 275 G HN 0.414 nan 8.290 nan 0.000 0.492 276 P HA 0.239 nan 4.420 nan 0.000 0.276 276 P C 0.027 177.371 177.300 0.074 0.000 1.252 276 P CA -0.421 62.714 63.100 0.059 0.000 0.802 276 P CB 1.156 32.879 31.700 0.039 0.000 1.035 277 V N 2.367 122.321 119.914 0.067 0.000 2.617 277 V HA -0.083 4.037 4.120 -0.000 0.000 0.304 277 V C 1.211 177.390 176.094 0.142 0.000 1.040 277 V CA 0.486 62.851 62.300 0.108 0.000 1.149 277 V CB -0.538 31.343 31.823 0.095 0.000 0.914 277 V HN 0.643 nan 8.190 nan 0.000 0.487 278 D N 4.476 125.007 120.400 0.218 0.000 2.487 278 D HA -0.038 4.602 4.640 -0.000 0.000 0.243 278 D C 1.267 177.629 176.300 0.104 0.000 1.154 278 D CA 0.165 54.257 54.000 0.154 0.000 0.876 278 D CB 0.873 41.775 40.800 0.170 0.000 1.161 278 D HN 0.665 nan 8.370 nan 0.000 0.478 279 E N 3.137 123.359 120.200 0.038 0.000 2.130 279 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 279 E C 1.886 178.481 176.600 -0.009 0.000 0.998 279 E CA 1.087 57.507 56.400 0.033 0.000 0.806 279 E CB 0.008 29.719 29.700 0.018 0.000 0.738 279 E HN 0.637 nan 8.360 nan 0.000 0.459 280 K N 0.310 120.632 120.400 -0.130 0.000 2.281 280 K HA -0.190 4.130 4.320 -0.000 0.000 0.203 280 K C 1.325 177.800 176.600 -0.207 0.000 1.046 280 K CA 1.437 57.590 56.287 -0.223 0.000 0.938 280 K CB -0.311 31.972 32.500 -0.360 0.000 0.737 280 K HN 0.160 nan 8.250 nan 0.000 0.458 281 Y N 1.237 121.565 120.300 0.047 0.000 2.546 281 Y HA 0.146 4.695 4.550 -0.000 0.000 0.287 281 Y C 1.871 177.819 175.900 0.081 0.000 1.158 281 Y CA 0.009 58.142 58.100 0.055 0.000 1.307 281 Y CB -0.050 38.442 38.460 0.053 0.000 1.036 281 Y HN -0.053 nan 8.280 nan 0.000 0.532 282 L N 0.775 122.128 121.223 0.217 0.000 2.093 282 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 282 L C -0.257 176.690 176.870 0.128 0.000 1.085 282 L CA 0.938 55.926 54.840 0.246 0.000 0.755 282 L CB -1.499 40.723 42.059 0.272 0.000 0.904 282 L HN 0.155 nan 8.230 nan 0.000 0.435 283 P HA -0.166 nan 4.420 nan 0.000 0.216 283 P C 1.205 178.512 177.300 0.011 0.000 1.153 283 P CA 1.329 64.424 63.100 -0.008 0.000 0.848 283 P CB 0.097 31.797 31.700 -0.001 0.000 0.787 284 E N -0.155 120.088 120.200 0.071 0.000 2.070 284 E HA -0.158 4.191 4.350 -0.000 0.000 0.197 284 E C 2.183 178.834 176.600 0.084 0.000 1.004 284 E CA 1.133 57.584 56.400 0.085 0.000 0.805 284 E CB -0.612 29.170 29.700 0.137 0.000 0.744 284 E HN 0.214 nan 8.360 nan 0.000 0.451 285 L N 0.579 121.881 121.223 0.131 0.000 2.109 285 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 285 L C 2.501 179.462 176.870 0.151 0.000 1.086 285 L CA 1.008 55.952 54.840 0.174 0.000 0.760 285 L CB -0.253 41.964 42.059 0.264 0.000 0.910 285 L HN 0.016 nan 8.230 nan 0.000 0.437 286 K N 0.596 120.964 120.400 -0.053 0.000 1.985 286 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 286 K C 2.211 178.720 176.600 -0.152 0.000 1.047 286 K CA 1.499 57.530 56.287 -0.427 0.000 0.932 286 K CB -0.242 31.775 32.500 -0.806 0.000 0.716 286 K HN 0.206 nan 8.250 nan 0.000 0.439 287 A N 1.349 124.113 122.820 -0.092 0.000 1.903 287 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 287 A C 2.116 179.705 177.584 0.010 0.000 1.191 287 A CA 1.942 53.959 52.037 -0.033 0.000 0.638 287 A CB -0.881 18.112 19.000 -0.011 0.000 0.823 287 A HN 0.453 nan 8.150 nan 0.000 0.451 288 L N -0.440 120.805 121.223 0.037 0.000 2.046 288 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 288 L C 2.707 179.631 176.870 0.089 0.000 1.077 288 L CA 2.262 57.142 54.840 0.067 0.000 0.747 288 L CB -0.922 41.184 42.059 0.078 0.000 0.896 288 L HN 0.364 nan 8.230 nan 0.000 0.432 289 A N -1.111 121.768 122.820 0.098 0.000 1.908 289 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 289 A C 2.206 179.845 177.584 0.091 0.000 1.181 289 A CA 2.006 54.114 52.037 0.119 0.000 0.627 289 A CB -0.603 18.491 19.000 0.157 0.000 0.818 289 A HN 0.683 nan 8.150 nan 0.000 0.445 290 Q N -1.180 118.646 119.800 0.045 0.000 2.172 290 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 290 Q C 2.324 178.353 176.000 0.048 0.000 0.964 290 Q CA 1.291 57.112 55.803 0.031 0.000 0.855 290 Q CB -0.131 28.602 28.738 -0.007 0.000 0.918 290 Q HN 0.876 nan 8.270 nan 0.000 0.444 291 Q N 0.939 120.775 119.800 0.060 0.000 2.020 291 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 291 Q C 2.076 178.145 176.000 0.116 0.000 0.982 291 Q CA 1.066 56.913 55.803 0.073 0.000 0.838 291 Q CB -0.033 28.748 28.738 0.071 0.000 0.899 291 Q HN 0.367 nan 8.270 nan 0.000 0.423 292 L N 0.026 121.347 121.223 0.163 0.000 2.046 292 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 292 L C 2.689 179.699 176.870 0.233 0.000 1.077 292 L CA 1.091 56.099 54.840 0.280 0.000 0.747 292 L CB -0.272 41.985 42.059 0.329 0.000 0.896 292 L HN 0.371 nan 8.230 nan 0.000 0.432 293 M N -1.117 118.578 119.600 0.158 0.000 2.175 293 M HA -0.218 4.262 4.480 -0.000 0.000 0.264 293 M C 2.332 178.648 176.300 0.027 0.000 1.063 293 M CA 1.483 56.843 55.300 0.100 0.000 1.119 293 M CB -0.197 32.459 32.600 0.092 0.000 1.377 293 M HN 0.200 nan 8.290 nan 0.000 0.415 294 Q N 1.108 120.927 119.800 0.031 0.000 2.016 294 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 294 Q C 0.876 176.860 176.000 -0.026 0.000 0.978 294 Q CA 1.343 57.146 55.803 0.001 0.000 0.833 294 Q CB -0.085 28.660 28.738 0.012 0.000 0.895 294 Q HN 0.408 nan 8.270 nan 0.000 0.427 295 E N 0.000 120.202 120.200 0.003 0.000 2.725 295 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 295 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 295 E CB 0.000 29.774 29.700 0.123 0.000 0.812 295 E HN 0.000 nan 8.360 nan 0.000 0.440