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 2r5i_1_I DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.597 177.584 0.021 0.000 1.274 20 A CA 0.000 52.038 52.037 0.001 0.000 0.836 20 A CB 0.000 19.008 19.000 0.013 0.000 0.831 21 V N 2.173 122.027 119.914 -0.100 0.000 2.644 21 V HA 0.646 4.766 4.120 0.000 0.000 0.295 21 V C 0.076 176.015 176.094 -0.257 0.000 1.053 21 V CA -0.285 61.922 62.300 -0.155 0.000 0.987 21 V CB 1.666 33.197 31.823 -0.487 0.000 1.006 21 V HN 0.829 nan 8.190 nan 0.000 0.472 22 V N 3.132 123.020 119.914 -0.043 0.000 2.789 22 V HA 0.379 4.499 4.120 0.000 0.000 0.311 22 V C 0.143 176.335 176.094 0.164 0.000 1.073 22 V CA -1.168 61.102 62.300 -0.051 0.000 0.921 22 V CB 2.034 33.822 31.823 -0.059 0.000 1.009 22 V HN 0.848 nan 8.190 nan 0.000 0.426 23 N N 2.220 121.084 118.700 0.273 0.000 2.294 23 N HA -0.076 4.665 4.740 0.000 0.000 0.263 23 N C 1.565 177.224 175.510 0.249 0.000 1.281 23 N CA 0.928 54.183 53.050 0.342 0.000 0.846 23 N CB 1.425 40.065 38.487 0.255 0.000 1.061 23 N HN 1.041 nan 8.380 nan 0.000 0.478 24 T N -0.326 114.338 114.554 0.183 0.000 2.822 24 T HA -0.170 4.180 4.350 0.000 0.000 0.270 24 T C 0.870 175.443 174.700 -0.211 0.000 1.064 24 T CA 1.177 63.176 62.100 -0.168 0.000 1.131 24 T CB 0.016 68.812 68.868 -0.120 0.000 0.858 24 T HN 0.463 nan 8.240 nan 0.000 0.483 25 D N 1.598 121.982 120.400 -0.027 0.000 2.354 25 D HA -0.082 4.558 4.640 0.000 0.000 0.216 25 D C 1.216 177.525 176.300 0.016 0.000 0.970 25 D CA 0.958 54.951 54.000 -0.012 0.000 0.905 25 D CB -0.197 40.620 40.800 0.028 0.000 0.903 25 D HN 0.502 nan 8.370 nan 0.000 0.508 26 D N -0.481 119.957 120.400 0.063 0.000 2.271 26 D HA -0.059 4.581 4.640 0.000 0.000 0.206 26 D C 1.478 177.882 176.300 0.173 0.000 0.967 26 D CA 0.595 54.666 54.000 0.118 0.000 0.867 26 D CB 0.004 40.890 40.800 0.143 0.000 0.960 26 D HN 0.540 nan 8.370 nan 0.000 0.509 27 Y N -2.053 118.273 120.300 0.043 0.000 2.527 27 Y HA 0.518 5.068 4.550 0.000 0.000 0.247 27 Y C -0.150 175.814 175.900 0.105 0.000 1.138 27 Y CA -0.522 57.613 58.100 0.057 0.000 1.228 27 Y CB 0.472 38.957 38.460 0.042 0.000 1.252 27 Y HN -0.356 nan 8.280 nan 0.000 0.531 28 V N 2.300 122.139 119.914 -0.125 0.000 2.376 28 V HA 0.317 4.438 4.120 0.000 0.000 0.287 28 V C -0.286 175.775 176.094 -0.055 0.000 1.015 28 V CA -0.596 61.644 62.300 -0.101 0.000 0.834 28 V CB 1.437 33.124 31.823 -0.226 0.000 1.001 28 V HN 0.349 nan 8.190 nan 0.000 0.428 29 T N 5.452 119.992 114.554 -0.023 0.000 2.845 29 T HA 0.506 4.856 4.350 0.000 0.000 0.288 29 T C 0.056 174.732 174.700 -0.041 0.000 0.980 29 T CA -0.502 61.587 62.100 -0.018 0.000 1.071 29 T CB 0.965 69.832 68.868 -0.002 0.000 0.941 29 T HN 0.484 nan 8.240 nan 0.000 0.487 30 R N 1.436 121.916 120.500 -0.032 0.000 2.474 30 R HA 0.546 4.886 4.340 0.000 0.000 0.295 30 R C 0.901 177.166 176.300 -0.060 0.000 0.980 30 R CA -0.572 55.500 56.100 -0.047 0.000 0.934 30 R CB 1.224 31.513 30.300 -0.017 0.000 1.101 30 R HN 0.866 nan 8.270 nan 0.000 0.469 31 T N -1.992 112.499 114.554 -0.105 0.000 2.893 31 T HA 0.211 4.562 4.350 0.000 0.000 0.281 31 T C 0.902 175.493 174.700 -0.181 0.000 1.027 31 T CA -0.478 61.558 62.100 -0.106 0.000 0.953 31 T CB 1.242 70.048 68.868 -0.104 0.000 1.434 31 T HN 0.509 nan 8.240 nan 0.000 0.597 32 S N -0.832 114.775 115.700 -0.155 0.000 2.650 32 S HA 0.312 4.782 4.470 0.000 0.000 0.240 32 S C 0.208 174.697 174.600 -0.186 0.000 1.007 32 S CA -0.697 57.411 58.200 -0.152 0.000 0.984 32 S CB -0.239 62.972 63.200 0.020 0.000 0.910 32 S HN 0.583 nan 8.310 nan 0.000 0.509 33 I N 3.118 123.553 120.570 -0.226 0.000 2.379 33 I HA 0.414 4.584 4.170 0.000 0.000 0.290 33 I C -0.689 175.330 176.117 -0.163 0.000 1.063 33 I CA -0.763 60.485 61.300 -0.087 0.000 1.351 33 I CB -1.053 36.999 38.000 0.086 0.000 1.410 33 I HN 0.175 nan 8.210 nan 0.000 0.505 34 F N 6.262 126.298 119.950 0.143 0.000 2.532 34 F HA 0.540 5.067 4.527 0.000 0.000 0.321 34 F C -0.292 175.527 175.800 0.033 0.000 1.089 34 F CA -0.736 57.342 58.000 0.130 0.000 0.926 34 F CB 1.633 40.611 39.000 -0.037 0.000 1.168 34 F HN 0.204 nan 8.300 nan 0.000 0.459 35 Y N 0.892 121.305 120.300 0.188 0.000 2.485 35 Y HA 0.362 4.913 4.550 0.000 0.000 0.345 35 Y C -0.107 175.687 175.900 -0.176 0.000 0.998 35 Y CA -0.933 57.189 58.100 0.037 0.000 1.059 35 Y CB 1.424 39.886 38.460 0.004 0.000 1.234 35 Y HN 0.520 nan 8.280 nan 0.000 0.461 36 H N 1.688 120.664 119.070 -0.158 0.000 2.502 36 H HA 0.886 5.442 4.556 0.000 0.000 0.338 36 H C -1.600 173.419 175.328 -0.515 0.000 1.155 36 H CA -0.625 55.211 56.048 -0.354 0.000 1.237 36 H CB 1.665 31.204 29.762 -0.372 0.000 1.534 36 H HN 0.824 nan 8.280 nan 0.000 0.523 37 A N 1.962 124.258 122.820 -0.873 0.000 2.566 37 A HA 0.627 4.947 4.320 0.000 0.000 0.297 37 A C -1.046 176.296 177.584 -0.403 0.000 1.059 37 A CA -0.035 51.706 52.037 -0.492 0.000 0.691 37 A CB 1.570 20.132 19.000 -0.730 0.000 1.282 37 A HN 0.980 nan 8.150 nan 0.000 0.401 38 G N 0.412 109.163 108.800 -0.081 0.000 2.755 38 G HA2 0.661 4.621 3.960 0.000 0.000 0.297 38 G HA3 0.661 4.621 3.960 0.000 0.000 0.297 38 G C -0.248 174.675 174.900 0.037 0.000 1.441 38 G CA 0.275 45.364 45.100 -0.018 0.000 0.964 38 G HN 1.794 nan 8.290 nan 0.000 0.540 39 S N 0.498 116.206 115.700 0.013 0.000 2.589 39 S HA 0.440 4.910 4.470 0.000 0.000 0.265 39 S C 1.682 176.295 174.600 0.022 0.000 1.342 39 S CA 0.599 58.804 58.200 0.008 0.000 1.005 39 S CB 1.241 64.398 63.200 -0.072 0.000 0.909 39 S HN 1.415 nan 8.310 nan 0.000 0.555 40 S N 1.283 117.012 115.700 0.048 0.000 2.354 40 S HA 0.067 4.537 4.470 0.000 0.000 0.200 40 S C 0.835 175.457 174.600 0.038 0.000 1.055 40 S CA 0.329 58.564 58.200 0.057 0.000 1.077 40 S CB -0.520 62.725 63.200 0.075 0.000 0.992 40 S HN 0.947 nan 8.310 nan 0.000 0.423 41 R N 0.509 121.042 120.500 0.054 0.000 2.810 41 R HA 0.404 4.744 4.340 0.000 0.000 0.280 41 R C -1.734 174.631 176.300 0.108 0.000 1.517 41 R CA -0.367 55.764 56.100 0.052 0.000 1.063 41 R CB 0.323 30.654 30.300 0.052 0.000 1.275 41 R HN 0.391 nan 8.270 nan 0.000 0.464 42 L N 4.213 125.495 121.223 0.099 0.000 2.416 42 L HA 0.364 4.705 4.340 0.000 0.000 0.272 42 L C -0.358 176.724 176.870 0.353 0.000 1.161 42 L CA -0.375 54.616 54.840 0.252 0.000 0.845 42 L CB 0.656 42.708 42.059 -0.011 0.000 1.119 42 L HN 0.454 nan 8.230 nan 0.000 0.464 43 L N 2.540 124.047 121.223 0.473 0.000 2.466 43 L HA 0.710 5.050 4.340 0.000 0.000 0.258 43 L C -0.618 176.441 176.870 0.316 0.000 0.973 43 L CA 0.082 55.128 54.840 0.343 0.000 0.826 43 L CB 2.526 44.694 42.059 0.181 0.000 1.372 43 L HN 0.611 nan 8.230 nan 0.000 0.409 44 T N 3.199 117.889 114.554 0.227 0.000 3.041 44 T HA 0.730 5.080 4.350 0.000 0.000 0.321 44 T C -1.723 172.991 174.700 0.025 0.000 1.184 44 T CA -0.021 62.123 62.100 0.074 0.000 1.050 44 T CB 1.039 69.902 68.868 -0.008 0.000 1.159 44 T HN 1.031 nan 8.240 nan 0.000 0.469 45 V N 1.575 121.483 119.914 -0.009 0.000 2.962 45 V HA 1.112 5.232 4.120 0.000 0.000 0.313 45 V C 0.053 176.141 176.094 -0.011 0.000 1.099 45 V CA 0.177 62.465 62.300 -0.019 0.000 0.971 45 V CB 1.352 33.163 31.823 -0.021 0.000 1.028 45 V HN 1.411 nan 8.190 nan 0.000 0.430 46 G N 1.554 110.354 108.800 0.001 0.000 2.428 46 G HA2 0.389 4.350 3.960 0.000 0.000 0.305 46 G HA3 0.389 4.350 3.960 0.000 0.000 0.305 46 G C -2.037 172.858 174.900 -0.009 0.000 1.260 46 G CA -0.048 45.055 45.100 0.004 0.000 0.853 46 G HN 1.009 nan 8.290 nan 0.000 0.480 47 D N 0.377 120.753 120.400 -0.040 0.000 2.210 47 D HA 0.401 5.042 4.640 0.000 0.000 0.249 47 D C -1.251 174.943 176.300 -0.177 0.000 1.078 47 D CA -1.988 51.917 54.000 -0.158 0.000 0.875 47 D CB 2.489 43.166 40.800 -0.205 0.000 1.175 47 D HN 0.056 nan 8.370 nan 0.000 0.440 48 P HA -0.079 nan 4.420 nan 0.000 0.229 48 P C 0.785 178.096 177.300 0.019 0.000 1.160 48 P CA 0.938 63.934 63.100 -0.173 0.000 0.777 48 P CB 0.126 31.646 31.700 -0.301 0.000 0.814 49 Y N -0.599 119.520 120.300 -0.300 0.000 2.535 49 Y HA 0.237 4.787 4.550 0.000 0.000 0.266 49 Y C 0.938 176.774 175.900 -0.107 0.000 1.088 49 Y CA -0.792 57.133 58.100 -0.292 0.000 1.285 49 Y CB 0.342 38.546 38.460 -0.426 0.000 1.166 49 Y HN -0.130 nan 8.280 nan 0.000 0.525 50 F N -0.974 119.071 119.950 0.158 0.000 2.829 50 F HA 0.397 4.924 4.527 0.000 0.000 0.319 50 F C -1.093 174.745 175.800 0.063 0.000 1.153 50 F CA -2.430 55.630 58.000 0.100 0.000 0.912 50 F CB 0.513 39.566 39.000 0.090 0.000 1.292 50 F HN -0.168 nan 8.300 nan 0.000 0.447 51 R N 0.997 121.727 120.500 0.384 0.000 2.491 51 R HA 0.684 5.024 4.340 0.000 0.000 0.283 51 R C -1.471 175.005 176.300 0.293 0.000 1.072 51 R CA -0.638 55.615 56.100 0.254 0.000 1.048 51 R CB 1.063 31.445 30.300 0.136 0.000 0.983 51 R HN 0.542 nan 8.270 nan 0.000 0.450 52 V N 4.888 124.942 119.914 0.232 0.000 2.334 52 V HA 0.252 4.373 4.120 0.000 0.000 0.267 52 V C -1.951 174.202 176.094 0.099 0.000 1.040 52 V CA -2.228 60.184 62.300 0.186 0.000 0.866 52 V CB 0.718 32.653 31.823 0.187 0.000 1.019 52 V HN 0.817 nan 8.190 nan 0.000 0.468 53 P HA 0.061 nan 4.420 nan 0.000 0.264 53 P C 0.324 177.647 177.300 0.037 0.000 1.183 53 P CA 0.332 63.453 63.100 0.036 0.000 0.763 53 P CB 0.418 32.127 31.700 0.014 0.000 0.807 54 A N 3.903 126.740 122.820 0.029 0.000 2.632 54 A HA 0.235 4.556 4.320 0.000 0.000 0.229 54 A C 1.875 179.474 177.584 0.024 0.000 1.047 54 A CA 0.752 52.803 52.037 0.024 0.000 0.754 54 A CB -1.247 17.763 19.000 0.016 0.000 0.969 54 A HN 0.920 nan 8.150 nan 0.000 0.509 55 G N 1.565 110.379 108.800 0.024 0.000 2.332 55 G HA2 -0.257 3.703 3.960 0.000 0.000 0.302 55 G HA3 -0.257 3.703 3.960 0.000 0.000 0.302 55 G C 1.576 176.491 174.900 0.025 0.000 1.005 55 G CA 1.783 46.897 45.100 0.022 0.000 0.713 55 G HN 2.067 nan 8.290 nan 0.000 0.526 56 G N 0.152 108.969 108.800 0.029 0.000 2.599 56 G HA2 -0.012 3.949 3.960 0.000 0.000 0.219 56 G HA3 -0.012 3.949 3.960 0.000 0.000 0.219 56 G C 1.655 176.577 174.900 0.036 0.000 1.193 56 G CA 1.807 46.925 45.100 0.030 0.000 0.778 56 G HN 1.310 nan 8.290 nan 0.000 0.589 57 G N 0.419 109.249 108.800 0.051 0.000 2.599 57 G HA2 0.178 4.139 3.960 0.000 0.000 0.210 57 G HA3 0.178 4.139 3.960 0.000 0.000 0.210 57 G C 0.500 175.424 174.900 0.040 0.000 1.177 57 G CA 0.590 45.724 45.100 0.057 0.000 0.835 57 G HN 0.699 nan 8.290 nan 0.000 0.575 58 N N 0.080 118.803 118.700 0.038 0.000 2.533 58 N HA 0.156 4.896 4.740 0.000 0.000 0.289 58 N C -0.620 174.901 175.510 0.017 0.000 1.103 58 N CA -0.609 52.453 53.050 0.020 0.000 0.877 58 N CB 1.930 40.421 38.487 0.006 0.000 1.419 58 N HN 0.283 nan 8.380 nan 0.000 0.517 59 K N 2.254 122.662 120.400 0.013 0.000 2.450 59 K HA -0.353 3.967 4.320 0.000 0.000 0.248 59 K C -0.405 176.201 176.600 0.010 0.000 1.056 59 K CA 1.146 57.439 56.287 0.010 0.000 1.120 59 K CB 0.045 32.548 32.500 0.005 0.000 0.717 59 K HN 0.892 nan 8.250 nan 0.000 0.433 60 Q N 1.852 121.659 119.800 0.010 0.000 3.236 60 Q HA -0.165 4.175 4.340 0.000 0.000 0.025 60 Q C -1.347 174.661 176.000 0.014 0.000 1.711 60 Q CA 1.308 57.115 55.803 0.008 0.000 0.240 60 Q CB -0.035 28.704 28.738 0.002 0.000 0.585 60 Q HN 0.716 nan 8.270 nan 0.000 0.322 61 D N 3.279 123.687 120.400 0.013 0.000 2.472 61 D HA 0.111 4.751 4.640 0.000 0.000 0.237 61 D C 0.302 176.616 176.300 0.024 0.000 1.141 61 D CA 0.446 54.459 54.000 0.023 0.000 0.875 61 D CB 0.422 41.233 40.800 0.017 0.000 1.192 61 D HN 0.337 nan 8.370 nan 0.000 0.450 62 I N 3.789 124.385 120.570 0.043 0.000 2.328 62 I HA 0.196 4.366 4.170 0.000 0.000 0.287 62 I C -2.142 174.002 176.117 0.045 0.000 1.012 62 I CA -2.262 59.062 61.300 0.040 0.000 1.195 62 I CB 0.916 38.952 38.000 0.060 0.000 1.350 62 I HN -0.061 nan 8.210 nan 0.000 0.464 63 P HA 0.104 nan 4.420 nan 0.000 0.272 63 P C -0.360 176.966 177.300 0.043 0.000 1.240 63 P CA -0.571 62.543 63.100 0.022 0.000 0.791 63 P CB 0.760 32.451 31.700 -0.015 0.000 0.978 64 K N 1.562 122.000 120.400 0.063 0.000 2.273 64 K HA 0.267 4.587 4.320 0.000 0.000 0.287 64 K C -1.230 175.420 176.600 0.083 0.000 1.089 64 K CA -0.354 55.981 56.287 0.080 0.000 0.909 64 K CB -0.194 32.376 32.500 0.118 0.000 1.123 64 K HN 0.163 nan 8.250 nan 0.000 0.473 65 V N 3.598 123.563 119.914 0.086 0.000 2.311 65 V HA 0.203 4.323 4.120 0.000 0.000 0.275 65 V C -0.160 176.088 176.094 0.256 0.000 1.022 65 V CA -0.586 61.799 62.300 0.142 0.000 0.830 65 V CB 0.985 32.870 31.823 0.103 0.000 1.012 65 V HN 0.740 nan 8.190 nan 0.000 0.452 66 S N 3.427 119.292 115.700 0.275 0.000 2.566 66 S HA 0.727 5.197 4.470 0.000 0.000 0.298 66 S C 1.004 175.759 174.600 0.258 0.000 1.083 66 S CA 0.137 58.499 58.200 0.271 0.000 0.978 66 S CB 2.095 65.451 63.200 0.260 0.000 1.073 66 S HN 0.871 nan 8.310 nan 0.000 0.491 67 A N 2.504 125.345 122.820 0.036 0.000 2.206 67 A HA 0.210 4.530 4.320 0.000 0.000 0.211 67 A C 0.245 177.660 177.584 -0.282 0.000 1.158 67 A CA 0.663 52.660 52.037 -0.066 0.000 0.761 67 A CB -0.487 18.326 19.000 -0.312 0.000 0.801 67 A HN 0.818 nan 8.150 nan 0.000 0.473 68 Y N 0.734 121.122 120.300 0.147 0.000 2.801 68 Y HA 0.270 4.821 4.550 0.000 0.000 0.318 68 Y C 0.507 176.457 175.900 0.084 0.000 1.073 68 Y CA -0.485 57.682 58.100 0.112 0.000 1.360 68 Y CB -0.025 38.525 38.460 0.150 0.000 1.220 68 Y HN 0.520 nan 8.280 nan 0.000 0.536 69 Q N -1.761 118.139 119.800 0.168 0.000 2.394 69 Q HA 0.439 4.779 4.340 0.000 0.000 0.273 69 Q C -1.470 174.608 176.000 0.130 0.000 1.089 69 Q CA -1.314 54.590 55.803 0.169 0.000 0.812 69 Q CB 1.561 30.416 28.738 0.196 0.000 1.353 69 Q HN 0.180 nan 8.270 nan 0.000 0.438 70 Y N 0.758 121.121 120.300 0.104 0.000 2.411 70 Y HA 0.165 4.715 4.550 0.000 0.000 0.333 70 Y C 0.443 176.354 175.900 0.017 0.000 1.186 70 Y CA -0.130 58.015 58.100 0.074 0.000 1.381 70 Y CB 0.705 39.198 38.460 0.056 0.000 1.273 70 Y HN 0.290 nan 8.280 nan 0.000 0.546 71 R N 2.542 123.091 120.500 0.082 0.000 2.229 71 R HA 0.447 4.788 4.340 0.000 0.000 0.332 71 R C -1.522 174.615 176.300 -0.273 0.000 0.989 71 R CA -0.691 55.278 56.100 -0.219 0.000 0.842 71 R CB 1.155 31.162 30.300 -0.488 0.000 1.119 71 R HN 0.420 nan 8.270 nan 0.000 0.456 72 V N 5.365 125.139 119.914 -0.234 0.000 2.350 72 V HA 0.407 4.528 4.120 0.000 0.000 0.285 72 V C -0.392 175.616 176.094 -0.144 0.000 1.014 72 V CA -0.710 61.562 62.300 -0.045 0.000 0.831 72 V CB 0.920 32.887 31.823 0.240 0.000 1.000 72 V HN 0.485 nan 8.190 nan 0.000 0.433 73 F N 3.413 123.357 119.950 -0.010 0.000 2.415 73 F HA 0.553 5.080 4.527 0.000 0.000 0.348 73 F C 0.721 176.422 175.800 -0.166 0.000 1.119 73 F CA -0.517 57.421 58.000 -0.103 0.000 1.069 73 F CB 1.386 40.245 39.000 -0.235 0.000 1.124 73 F HN 0.338 nan 8.300 nan 0.000 0.472 74 R N 3.533 123.984 120.500 -0.082 0.000 2.230 74 R HA 0.487 4.827 4.340 0.000 0.000 0.337 74 R C -1.501 174.617 176.300 -0.302 0.000 1.063 74 R CA -0.323 55.484 56.100 -0.489 0.000 0.935 74 R CB 0.541 30.536 30.300 -0.508 0.000 1.121 74 R HN 0.548 nan 8.270 nan 0.000 0.486 75 V N 4.601 124.323 119.914 -0.321 0.000 2.406 75 V HA 0.108 4.229 4.120 0.000 0.000 0.272 75 V C 0.001 175.944 176.094 -0.252 0.000 1.043 75 V CA -0.426 61.740 62.300 -0.223 0.000 0.915 75 V CB 1.406 33.072 31.823 -0.262 0.000 0.988 75 V HN 0.657 nan 8.190 nan 0.000 0.466 76 Q N 4.664 124.361 119.800 -0.172 0.000 2.296 76 Q HA 0.542 4.882 4.340 0.000 0.000 0.257 76 Q C -0.881 175.008 176.000 -0.184 0.000 0.942 76 Q CA 0.078 55.790 55.803 -0.152 0.000 0.939 76 Q CB 1.057 29.746 28.738 -0.083 0.000 1.198 76 Q HN 0.662 nan 8.270 nan 0.000 0.429 77 L N 5.287 126.363 121.223 -0.246 0.000 2.358 77 L HA 0.702 5.042 4.340 0.000 0.000 0.268 77 L C -1.941 174.697 176.870 -0.386 0.000 1.032 77 L CA -2.314 52.288 54.840 -0.398 0.000 0.805 77 L CB 1.450 43.170 42.059 -0.566 0.000 1.253 77 L HN 0.561 nan 8.230 nan 0.000 0.452 78 P HA 0.011 nan 4.420 nan 0.000 0.274 78 P C -1.187 175.930 177.300 -0.305 0.000 1.231 78 P CA -0.335 62.473 63.100 -0.485 0.000 0.790 78 P CB 0.984 32.151 31.700 -0.888 0.000 0.951 79 D N 2.929 123.219 120.400 -0.183 0.000 2.338 79 D HA 0.053 4.693 4.640 0.000 0.000 0.255 79 D C -1.126 175.049 176.300 -0.209 0.000 1.237 79 D CA -2.115 51.805 54.000 -0.133 0.000 0.883 79 D CB 0.639 41.416 40.800 -0.039 0.000 1.087 79 D HN 0.213 nan 8.370 nan 0.000 0.485 80 P HA -0.107 nan 4.420 nan 0.000 0.228 80 P C 0.540 177.664 177.300 -0.294 0.000 1.151 80 P CA 0.616 63.372 63.100 -0.574 0.000 0.770 80 P CB 0.616 31.575 31.700 -1.236 0.000 0.786 81 N N 1.200 119.784 118.700 -0.195 0.000 2.245 81 N HA -0.019 4.721 4.740 0.000 0.000 0.185 81 N C 1.236 176.751 175.510 0.008 0.000 1.036 81 N CA 0.836 53.824 53.050 -0.103 0.000 0.857 81 N CB -0.366 38.066 38.487 -0.091 0.000 1.015 81 N HN 0.258 nan 8.380 nan 0.000 0.436 82 K N 0.474 120.891 120.400 0.029 0.000 2.668 82 K HA 0.050 4.370 4.320 0.000 0.000 0.204 82 K C -0.193 176.480 176.600 0.122 0.000 1.016 82 K CA -0.019 56.303 56.287 0.059 0.000 1.131 82 K CB -0.283 32.246 32.500 0.050 0.000 0.891 82 K HN 0.054 nan 8.250 nan 0.000 0.499 83 F N 0.319 120.219 119.950 -0.083 0.000 2.457 83 F HA 0.473 5.000 4.527 0.000 0.000 0.330 83 F C 0.634 176.414 175.800 -0.033 0.000 1.069 83 F CA -1.329 56.626 58.000 -0.075 0.000 1.009 83 F CB 1.117 40.037 39.000 -0.133 0.000 1.276 83 F HN -0.079 nan 8.300 nan 0.000 0.492 84 G N 4.638 113.019 108.800 -0.698 0.000 2.404 84 G HA2 0.480 4.441 3.960 0.000 0.000 0.316 84 G HA3 0.480 4.441 3.960 0.000 0.000 0.316 84 G C -0.811 173.784 174.900 -0.507 0.000 1.074 84 G CA -0.533 44.254 45.100 -0.521 0.000 0.989 84 G HN 0.617 nan 8.290 nan 0.000 0.430 85 L N 3.638 124.768 121.223 -0.154 0.000 2.466 85 L HA 0.263 4.603 4.340 0.000 0.000 0.257 85 L C -0.458 176.427 176.870 0.024 0.000 1.189 85 L CA -1.594 53.255 54.840 0.014 0.000 0.813 85 L CB 1.312 43.402 42.059 0.052 0.000 1.118 85 L HN 0.393 nan 8.230 nan 0.000 0.471 86 P HA -0.044 nan 4.420 nan 0.000 0.225 86 P C -0.379 176.948 177.300 0.046 0.000 1.156 86 P CA 0.906 64.046 63.100 0.067 0.000 0.787 86 P CB 0.261 32.013 31.700 0.086 0.000 0.802 87 D N -1.379 119.054 120.400 0.055 0.000 2.613 87 D HA 0.132 4.772 4.640 0.000 0.000 0.230 87 D C -0.614 175.723 176.300 0.062 0.000 1.365 87 D CA -0.278 53.750 54.000 0.046 0.000 0.976 87 D CB 0.572 41.399 40.800 0.045 0.000 1.415 87 D HN -0.382 nan 8.370 nan 0.000 0.589 88 T N 1.802 116.391 114.554 0.058 0.000 3.327 88 T HA 0.201 4.551 4.350 0.000 0.000 0.241 88 T C 0.659 175.417 174.700 0.097 0.000 0.907 88 T CA 0.205 62.365 62.100 0.100 0.000 0.931 88 T CB -0.312 68.603 68.868 0.080 0.000 1.112 88 T HN 0.373 nan 8.240 nan 0.000 0.589 89 S N -0.074 115.678 115.700 0.086 0.000 2.901 89 S HA 0.248 4.718 4.470 0.000 0.000 0.248 89 S C 1.027 175.675 174.600 0.080 0.000 1.021 89 S CA -0.566 57.669 58.200 0.059 0.000 1.090 89 S CB -0.194 63.021 63.200 0.025 0.000 1.039 89 S HN 0.238 nan 8.310 nan 0.000 0.514 90 I N 0.911 121.564 120.570 0.138 0.000 3.035 90 I HA 0.259 4.429 4.170 0.000 0.000 0.271 90 I C 0.840 177.064 176.117 0.179 0.000 1.190 90 I CA 0.255 61.622 61.300 0.113 0.000 1.472 90 I CB -1.376 36.660 38.000 0.060 0.000 1.116 90 I HN 0.723 nan 8.210 nan 0.000 0.443 91 Y N 0.324 120.593 120.300 -0.051 0.000 2.644 91 Y HA 0.616 5.167 4.550 0.000 0.000 0.338 91 Y C -0.561 175.304 175.900 -0.060 0.000 1.119 91 Y CA -1.654 56.409 58.100 -0.063 0.000 1.060 91 Y CB 1.190 39.594 38.460 -0.093 0.000 1.294 91 Y HN -0.047 nan 8.280 nan 0.000 0.472 92 N N 3.231 121.728 118.700 -0.338 0.000 2.546 92 N HA 0.370 5.111 4.740 0.000 0.000 0.238 92 N C -2.263 172.874 175.510 -0.621 0.000 0.984 92 N CA -2.664 50.114 53.050 -0.452 0.000 0.935 92 N CB 1.422 39.785 38.487 -0.205 0.000 1.122 92 N HN 0.402 nan 8.380 nan 0.000 0.510 93 P HA -0.174 nan 4.420 nan 0.000 0.229 93 P C 0.016 177.155 177.300 -0.268 0.000 1.147 93 P CA 1.104 63.847 63.100 -0.593 0.000 0.766 93 P CB 0.418 31.856 31.700 -0.437 0.000 0.775 94 E N -0.890 119.175 120.200 -0.225 0.000 2.206 94 E HA -0.013 4.338 4.350 0.000 0.000 0.195 94 E C 1.882 178.427 176.600 -0.092 0.000 0.935 94 E CA 1.554 57.878 56.400 -0.127 0.000 0.875 94 E CB -0.480 29.157 29.700 -0.105 0.000 0.841 94 E HN 0.377 nan 8.360 nan 0.000 0.477 95 T N -1.296 113.200 114.554 -0.098 0.000 3.022 95 T HA 0.094 4.445 4.350 0.000 0.000 0.250 95 T C 0.814 175.490 174.700 -0.041 0.000 1.060 95 T CA -0.194 61.874 62.100 -0.054 0.000 1.013 95 T CB 0.276 69.121 68.868 -0.038 0.000 0.982 95 T HN 0.032 nan 8.240 nan 0.000 0.508 96 Q N -0.066 119.700 119.800 -0.056 0.000 2.495 96 Q HA 0.701 5.041 4.340 0.000 0.000 0.287 96 Q C -1.162 174.821 176.000 -0.028 0.000 1.078 96 Q CA -1.370 54.425 55.803 -0.014 0.000 0.793 96 Q CB 1.968 30.747 28.738 0.068 0.000 1.459 96 Q HN -0.031 nan 8.270 nan 0.000 0.422 97 R N 0.355 120.729 120.500 -0.211 0.000 2.939 97 R HA 0.657 4.998 4.340 0.000 0.000 0.254 97 R C -0.752 175.268 176.300 -0.467 0.000 1.123 97 R CA -0.958 54.853 56.100 -0.482 0.000 1.020 97 R CB 1.415 30.925 30.300 -1.316 0.000 1.206 97 R HN 0.600 nan 8.270 nan 0.000 0.491 98 L N 0.728 121.608 121.223 -0.572 0.000 2.334 98 L HA 0.682 5.022 4.340 0.000 0.000 0.273 98 L C -0.625 176.005 176.870 -0.399 0.000 1.013 98 L CA -0.999 53.514 54.840 -0.547 0.000 0.816 98 L CB 2.078 43.706 42.059 -0.717 0.000 1.278 98 L HN 0.175 nan 8.230 nan 0.000 0.431 99 V N -0.153 119.524 119.914 -0.396 0.000 2.971 99 V HA 0.354 4.474 4.120 0.000 0.000 0.309 99 V C -1.430 174.465 176.094 -0.332 0.000 1.130 99 V CA -0.884 61.252 62.300 -0.274 0.000 0.964 99 V CB 2.136 33.866 31.823 -0.156 0.000 1.029 99 V HN 0.663 nan 8.190 nan 0.000 0.427 100 W N 1.837 123.013 121.300 -0.208 0.000 2.361 100 W HA 0.732 5.392 4.660 0.000 0.000 0.309 100 W C 0.179 176.610 176.519 -0.146 0.000 1.122 100 W CA -0.470 56.749 57.345 -0.209 0.000 1.208 100 W CB 1.741 30.974 29.460 -0.378 0.000 1.246 100 W HN 0.742 nan 8.180 nan 0.000 0.490 101 A N 3.737 126.715 122.820 0.264 0.000 2.303 101 A HA 0.452 4.773 4.320 0.000 0.000 0.320 101 A C -0.641 177.103 177.584 0.267 0.000 1.192 101 A CA -0.608 51.507 52.037 0.131 0.000 0.821 101 A CB 0.605 19.621 19.000 0.026 0.000 1.188 101 A HN 0.746 nan 8.150 nan 0.000 0.492 102 C N 2.344 121.745 119.300 0.169 0.000 2.642 102 C HA 0.457 4.917 4.460 0.000 0.000 0.420 102 C C 1.403 176.362 174.990 -0.052 0.000 1.349 102 C CA 0.872 59.920 59.018 0.050 0.000 1.821 102 C CB -0.171 27.553 27.740 -0.027 0.000 2.637 102 C HN 1.038 nan 8.230 nan 0.000 0.605 103 A N 3.569 126.327 122.820 -0.102 0.000 2.474 103 A HA 0.627 4.948 4.320 0.000 0.000 0.221 103 A C 0.555 178.170 177.584 0.053 0.000 1.298 103 A CA 0.613 52.660 52.037 0.015 0.000 1.008 103 A CB 0.043 19.085 19.000 0.071 0.000 1.217 103 A HN 1.429 nan 8.150 nan 0.000 0.553 104 G N -0.577 108.158 108.800 -0.109 0.000 2.768 104 G HA2 0.535 4.496 3.960 0.000 0.000 0.297 104 G HA3 0.535 4.496 3.960 0.000 0.000 0.297 104 G C -1.529 173.170 174.900 -0.334 0.000 1.430 104 G CA -0.217 44.849 45.100 -0.057 0.000 1.030 104 G HN 0.524 nan 8.290 nan 0.000 0.553 105 V N 0.436 120.092 119.914 -0.429 0.000 3.040 105 V HA 0.854 4.974 4.120 0.000 0.000 0.312 105 V C -0.601 175.223 176.094 -0.450 0.000 1.115 105 V CA -0.911 61.097 62.300 -0.487 0.000 0.998 105 V CB 2.300 33.896 31.823 -0.378 0.000 1.042 105 V HN 0.972 nan 8.190 nan 0.000 0.433 106 E N 1.794 121.703 120.200 -0.484 0.000 2.334 106 E HA 0.492 4.843 4.350 0.000 0.000 0.280 106 E C -2.005 174.404 176.600 -0.318 0.000 0.899 106 E CA -0.565 55.621 56.400 -0.358 0.000 0.813 106 E CB 1.532 30.998 29.700 -0.389 0.000 1.318 106 E HN 0.570 nan 8.360 nan 0.000 0.399 107 I N 4.126 124.620 120.570 -0.126 0.000 2.291 107 I HA 0.347 4.517 4.170 0.000 0.000 0.292 107 I C 0.735 176.761 176.117 -0.152 0.000 1.064 107 I CA 0.223 61.420 61.300 -0.172 0.000 1.269 107 I CB 1.309 39.236 38.000 -0.123 0.000 1.418 107 I HN 0.565 nan 8.210 nan 0.000 0.485 108 G N 6.683 115.369 108.800 -0.191 0.000 2.420 108 G HA2 0.574 4.534 3.960 0.000 0.000 0.284 108 G HA3 0.574 4.534 3.960 0.000 0.000 0.284 108 G C -0.259 174.517 174.900 -0.207 0.000 1.177 108 G CA -0.630 44.378 45.100 -0.154 0.000 0.841 108 G HN 0.377 nan 8.290 nan 0.000 0.527 109 R N 0.821 121.214 120.500 -0.179 0.000 2.686 109 R HA 0.444 4.785 4.340 0.000 0.000 0.286 109 R C 0.835 177.034 176.300 -0.168 0.000 0.969 109 R CA -0.364 55.577 56.100 -0.266 0.000 0.898 109 R CB 1.916 32.069 30.300 -0.244 0.000 1.183 109 R HN 0.611 nan 8.270 nan 0.000 0.456 110 G N 1.540 110.225 108.800 -0.192 0.000 2.658 110 G HA2 -0.079 3.882 3.960 0.000 0.000 0.217 110 G HA3 -0.079 3.882 3.960 0.000 0.000 0.217 110 G C 0.244 175.099 174.900 -0.076 0.000 1.319 110 G CA 0.138 45.171 45.100 -0.112 0.000 0.885 110 G HN 0.339 nan 8.290 nan 0.000 0.553 111 Q N 1.085 120.841 119.800 -0.073 0.000 2.841 111 Q HA 0.200 4.540 4.340 0.000 0.000 0.198 111 Q C -1.998 173.988 176.000 -0.022 0.000 1.135 111 Q CA -0.987 54.794 55.803 -0.038 0.000 1.167 111 Q CB -0.355 28.362 28.738 -0.034 0.000 1.288 111 Q HN 0.255 nan 8.270 nan 0.000 0.670 112 P HA 0.150 nan 4.420 nan 0.000 0.276 112 P C -0.460 176.850 177.300 0.016 0.000 1.252 112 P CA -0.557 62.545 63.100 0.005 0.000 0.802 112 P CB 0.527 32.232 31.700 0.008 0.000 1.035 113 L N 0.792 122.027 121.223 0.019 0.000 2.456 113 L HA 0.498 4.839 4.340 0.000 0.000 0.272 113 L C 1.208 178.100 176.870 0.036 0.000 1.189 113 L CA 1.386 56.244 54.840 0.030 0.000 0.846 113 L CB -0.437 41.639 42.059 0.030 0.000 1.111 113 L HN 0.748 nan 8.230 nan 0.000 0.475 114 G N 1.628 110.456 108.800 0.046 0.000 2.608 114 G HA2 0.609 4.570 3.960 0.000 0.000 0.291 114 G HA3 0.609 4.570 3.960 0.000 0.000 0.291 114 G C -1.655 173.278 174.900 0.055 0.000 1.425 114 G CA -0.034 45.094 45.100 0.048 0.000 0.787 114 G HN 0.691 nan 8.290 nan 0.000 0.484 115 V N -2.155 117.791 119.914 0.054 0.000 2.864 115 V HA 1.060 5.180 4.120 0.000 0.000 0.314 115 V C 0.176 176.304 176.094 0.056 0.000 1.073 115 V CA -0.132 62.206 62.300 0.064 0.000 0.956 115 V CB 1.560 33.423 31.823 0.067 0.000 1.023 115 V HN 1.913 nan 8.190 nan 0.000 0.435 116 G N 2.414 111.255 108.800 0.068 0.000 2.718 116 G HA2 0.648 4.609 3.960 0.000 0.000 0.295 116 G HA3 0.648 4.609 3.960 0.000 0.000 0.295 116 G C -1.451 173.471 174.900 0.038 0.000 1.421 116 G CA -1.039 44.091 45.100 0.050 0.000 0.902 116 G HN 0.904 nan 8.290 nan 0.000 0.501 117 L N 0.516 121.741 121.223 0.003 0.000 2.375 117 L HA 0.729 5.069 4.340 0.000 0.000 0.268 117 L C 0.217 176.995 176.870 -0.153 0.000 1.058 117 L CA -0.751 54.038 54.840 -0.085 0.000 0.803 117 L CB 1.837 43.857 42.059 -0.066 0.000 1.212 117 L HN 0.483 nan 8.230 nan 0.000 0.451 118 S N -0.352 115.114 115.700 -0.391 0.000 2.548 118 S HA 0.882 5.352 4.470 0.000 0.000 0.286 118 S C -0.238 174.089 174.600 -0.454 0.000 1.098 118 S CA -0.668 57.209 58.200 -0.537 0.000 0.930 118 S CB 2.242 65.004 63.200 -0.730 0.000 1.070 118 S HN 0.894 nan 8.310 nan 0.000 0.480 119 G N 0.480 108.995 108.800 -0.474 0.000 2.682 119 G HA2 0.631 4.591 3.960 0.000 0.000 0.290 119 G HA3 0.631 4.591 3.960 0.000 0.000 0.290 119 G C -2.184 172.590 174.900 -0.210 0.000 1.425 119 G CA -0.438 44.498 45.100 -0.273 0.000 0.807 119 G HN 0.643 nan 8.290 nan 0.000 0.482 120 H N 0.253 119.239 119.070 -0.140 0.000 2.856 120 H HA 0.398 4.954 4.556 0.000 0.000 0.355 120 H C -2.114 173.123 175.328 -0.153 0.000 1.079 120 H CA -1.548 54.447 56.048 -0.089 0.000 1.240 120 H CB 3.109 32.897 29.762 0.044 0.000 1.701 120 H HN 0.141 nan 8.280 nan 0.000 0.527 121 P HA -0.070 nan 4.420 nan 0.000 0.216 121 P C 0.081 177.076 177.300 -0.508 0.000 1.150 121 P CA 1.430 64.229 63.100 -0.502 0.000 0.837 121 P CB 0.103 31.248 31.700 -0.925 0.000 0.786 122 F N -3.696 116.525 119.950 0.451 0.000 2.818 122 F HA 0.257 4.784 4.527 0.000 0.000 0.369 122 F C 0.352 176.083 175.800 -0.114 0.000 1.327 122 F CA -1.242 56.834 58.000 0.126 0.000 1.211 122 F CB -0.411 38.635 39.000 0.078 0.000 1.036 122 F HN -0.227 nan 8.300 nan 0.000 0.510 123 Y N 2.447 122.689 120.300 -0.096 0.000 2.895 123 Y HA -0.164 4.386 4.550 0.000 0.000 0.334 123 Y C 0.878 176.659 175.900 -0.197 0.000 1.261 123 Y CA 0.059 58.025 58.100 -0.223 0.000 1.560 123 Y CB 0.234 38.582 38.460 -0.187 0.000 1.253 123 Y HN 0.220 nan 8.280 nan 0.000 0.582 124 N N 6.391 124.794 118.700 -0.495 0.000 2.739 124 N HA 0.046 4.786 4.740 0.000 0.000 0.266 124 N C -1.239 174.139 175.510 -0.220 0.000 1.168 124 N CA -0.075 52.794 53.050 -0.301 0.000 1.055 124 N CB -0.188 38.124 38.487 -0.290 0.000 1.393 124 N HN 0.580 nan 8.380 nan 0.000 0.514 125 K N 3.922 124.274 120.400 -0.079 0.000 2.450 125 K HA 0.142 4.462 4.320 0.000 0.000 0.257 125 K C 0.262 176.799 176.600 -0.104 0.000 0.953 125 K CA -0.639 55.581 56.287 -0.112 0.000 0.844 125 K CB 1.134 33.405 32.500 -0.382 0.000 1.103 125 K HN 0.257 nan 8.250 nan 0.000 0.429 126 L N 3.829 125.035 121.223 -0.028 0.000 1.982 126 L HA 0.051 4.391 4.340 0.000 0.000 0.206 126 L C -0.330 176.551 176.870 0.018 0.000 1.078 126 L CA 2.024 56.862 54.840 -0.004 0.000 0.749 126 L CB -0.106 41.964 42.059 0.019 0.000 0.894 126 L HN 0.926 nan 8.230 nan 0.000 0.436 127 D N -3.105 117.354 120.400 0.098 0.000 2.671 127 D HA 0.203 4.843 4.640 0.000 0.000 0.273 127 D C -1.556 174.954 176.300 0.351 0.000 1.264 127 D CA -0.629 53.466 54.000 0.158 0.000 0.788 127 D CB 0.134 41.007 40.800 0.121 0.000 1.324 127 D HN -0.002 nan 8.370 nan 0.000 0.424 128 D N -0.641 119.980 120.400 0.369 0.000 2.344 128 D HA 0.290 4.930 4.640 0.000 0.000 0.253 128 D C 0.578 177.059 176.300 0.301 0.000 1.255 128 D CA -0.130 54.132 54.000 0.436 0.000 0.894 128 D CB 0.635 41.625 40.800 0.317 0.000 1.067 128 D HN 0.409 nan 8.370 nan 0.000 0.492 129 T N 0.107 114.865 114.554 0.339 0.000 3.244 129 T HA 0.095 4.445 4.350 0.000 0.000 0.254 129 T C 1.157 176.000 174.700 0.239 0.000 1.024 129 T CA -0.379 61.894 62.100 0.289 0.000 0.920 129 T CB 0.189 69.292 68.868 0.392 0.000 1.042 129 T HN 0.510 nan 8.240 nan 0.000 0.572 130 E N 2.018 122.316 120.200 0.163 0.000 2.075 130 E HA -0.022 4.329 4.350 0.000 0.000 0.190 130 E C 0.889 177.495 176.600 0.011 0.000 0.969 130 E CA 1.005 57.419 56.400 0.022 0.000 0.815 130 E CB 0.332 29.835 29.700 -0.327 0.000 0.776 130 E HN 0.582 nan 8.360 nan 0.000 0.457 131 S N 0.016 115.728 115.700 0.021 0.000 2.703 131 S HA 0.033 4.503 4.470 0.000 0.000 0.188 131 S C -0.426 174.187 174.600 0.022 0.000 0.797 131 S CA -0.126 58.076 58.200 0.002 0.000 0.888 131 S CB -0.919 62.251 63.200 -0.050 0.000 1.605 131 S HN 0.243 nan 8.310 nan 0.000 0.553 132 S N 1.430 117.174 115.700 0.074 0.000 2.715 132 S HA -0.057 4.413 4.470 0.000 0.000 0.318 132 S C 1.097 175.749 174.600 0.087 0.000 1.242 132 S CA 0.133 58.394 58.200 0.102 0.000 1.044 132 S CB -0.126 63.147 63.200 0.120 0.000 0.760 132 S HN 0.530 nan 8.310 nan 0.000 0.501 133 H N 2.754 121.849 119.070 0.042 0.000 2.431 133 H HA -0.120 4.437 4.556 0.000 0.000 0.297 133 H C 1.144 176.491 175.328 0.031 0.000 1.115 133 H CA 1.961 58.028 56.048 0.031 0.000 1.277 133 H CB -0.171 29.608 29.762 0.029 0.000 1.372 133 H HN 0.885 nan 8.280 nan 0.000 0.516 134 A N -1.139 121.781 122.820 0.167 0.000 5.519 134 A HA 0.628 4.948 4.320 0.000 0.000 0.158 134 A C -0.157 177.480 177.584 0.089 0.000 0.860 134 A CA 0.128 52.233 52.037 0.112 0.000 1.134 134 A CB -0.366 18.700 19.000 0.110 0.000 2.248 134 A HN 0.353 nan 8.150 nan 0.000 1.056 135 A N -0.644 122.219 122.820 0.072 0.000 2.372 135 A HA 0.722 5.042 4.320 0.000 0.000 0.271 135 A C 0.638 178.262 177.584 0.068 0.000 1.470 135 A CA 0.911 52.986 52.037 0.064 0.000 0.827 135 A CB -0.462 18.566 19.000 0.048 0.000 1.405 135 A HN 2.322 nan 8.150 nan 0.000 0.536 136 T N -3.133 111.456 114.554 0.058 0.000 2.853 136 T HA 0.555 4.905 4.350 0.000 0.000 0.311 136 T C 0.084 174.807 174.700 0.038 0.000 1.307 136 T CA 0.089 62.222 62.100 0.056 0.000 1.019 136 T CB 0.479 69.392 68.868 0.074 0.000 1.264 136 T HN 2.079 nan 8.240 nan 0.000 0.497 137 S N 1.866 117.585 115.700 0.032 0.000 2.906 137 S HA -0.134 4.336 4.470 0.000 0.000 0.274 137 S C 0.303 174.912 174.600 0.015 0.000 1.460 137 S CA 0.064 58.276 58.200 0.020 0.000 1.093 137 S CB -0.671 62.538 63.200 0.015 0.000 0.751 137 S HN 1.100 nan 8.310 nan 0.000 0.449 138 N N -0.705 118.000 118.700 0.008 0.000 2.499 138 N HA 0.271 5.011 4.740 0.000 0.000 0.281 138 N C -0.010 175.498 175.510 -0.003 0.000 1.098 138 N CA -0.533 52.519 53.050 0.003 0.000 0.979 138 N CB 0.848 39.336 38.487 0.001 0.000 1.121 138 N HN 0.514 nan 8.380 nan 0.000 0.466 139 V N 2.940 122.851 119.914 -0.007 0.000 3.299 139 V HA -0.041 4.079 4.120 0.000 0.000 0.369 139 V C 1.730 177.814 176.094 -0.017 0.000 1.245 139 V CA 0.496 62.787 62.300 -0.014 0.000 1.459 139 V CB -1.975 29.836 31.823 -0.019 0.000 1.203 139 V HN 0.763 nan 8.190 nan 0.000 0.451 140 S N 0.211 115.902 115.700 -0.014 0.000 2.380 140 S HA -0.047 4.423 4.470 0.000 0.000 0.213 140 S C 0.685 175.271 174.600 -0.022 0.000 1.037 140 S CA 0.993 59.184 58.200 -0.016 0.000 1.034 140 S CB 0.227 63.420 63.200 -0.013 0.000 1.022 140 S HN 0.730 nan 8.310 nan 0.000 0.418 141 E N -0.483 119.703 120.200 -0.024 0.000 2.393 141 E HA 0.153 4.504 4.350 0.000 0.000 0.282 141 E C -2.005 174.574 176.600 -0.034 0.000 1.096 141 E CA -0.490 55.891 56.400 -0.032 0.000 0.866 141 E CB 0.878 30.559 29.700 -0.033 0.000 1.232 141 E HN 0.210 nan 8.360 nan 0.000 0.431 142 D N 1.749 122.122 120.400 -0.045 0.000 3.594 142 D HA -0.120 4.520 4.640 0.000 0.000 0.197 142 D C -0.159 176.126 176.300 -0.024 0.000 1.142 142 D CA 1.140 55.111 54.000 -0.047 0.000 0.988 142 D CB -0.226 40.537 40.800 -0.062 0.000 0.822 142 D HN 0.236 nan 8.370 nan 0.000 0.420 143 V N 4.282 124.184 119.914 -0.020 0.000 3.199 143 V HA 0.112 4.232 4.120 0.000 0.000 0.331 143 V C 1.083 177.175 176.094 -0.003 0.000 1.446 143 V CA -0.381 61.913 62.300 -0.009 0.000 1.120 143 V CB 0.020 31.834 31.823 -0.015 0.000 1.051 143 V HN 0.346 nan 8.190 nan 0.000 0.495 144 R N 1.796 122.306 120.500 0.017 0.000 2.570 144 R HA 0.234 4.574 4.340 0.000 0.000 0.277 144 R C -0.629 175.721 176.300 0.085 0.000 1.039 144 R CA 0.404 56.537 56.100 0.055 0.000 1.065 144 R CB 0.366 30.731 30.300 0.108 0.000 0.964 144 R HN 0.329 nan 8.270 nan 0.000 0.428 145 D N 0.863 121.283 120.400 0.033 0.000 2.374 145 D HA 0.086 4.726 4.640 0.000 0.000 0.239 145 D C -0.579 175.704 176.300 -0.029 0.000 0.991 145 D CA -0.653 53.339 54.000 -0.014 0.000 0.960 145 D CB 1.224 41.969 40.800 -0.092 0.000 1.284 145 D HN 0.342 nan 8.370 nan 0.000 0.512 146 N N 1.298 119.952 118.700 -0.077 0.000 2.437 146 N HA 0.228 4.968 4.740 0.000 0.000 0.243 146 N C -0.935 174.492 175.510 -0.139 0.000 1.041 146 N CA -0.273 52.711 53.050 -0.110 0.000 0.940 146 N CB 0.449 38.858 38.487 -0.129 0.000 1.133 146 N HN 0.251 nan 8.380 nan 0.000 0.506 147 V N 1.079 120.890 119.914 -0.172 0.000 3.001 147 V HA 0.886 5.006 4.120 0.000 0.000 0.314 147 V C 0.037 175.990 176.094 -0.234 0.000 1.099 147 V CA -0.802 61.334 62.300 -0.274 0.000 0.989 147 V CB 1.357 32.840 31.823 -0.568 0.000 1.040 147 V HN 0.672 nan 8.190 nan 0.000 0.434 148 S N 1.525 117.106 115.700 -0.197 0.000 2.740 148 S HA 0.963 5.433 4.470 0.000 0.000 0.300 148 S C -0.821 173.696 174.600 -0.139 0.000 1.147 148 S CA -0.259 57.835 58.200 -0.177 0.000 0.871 148 S CB 1.756 64.871 63.200 -0.140 0.000 1.173 148 S HN 2.435 nan 8.310 nan 0.000 0.510 149 V N 1.336 121.149 119.914 -0.167 0.000 2.963 149 V HA 0.357 4.477 4.120 0.000 0.000 0.272 149 V C -2.329 173.619 176.094 -0.243 0.000 1.559 149 V CA -0.533 61.688 62.300 -0.132 0.000 0.959 149 V CB 1.990 33.801 31.823 -0.020 0.000 1.202 149 V HN 1.226 nan 8.190 nan 0.000 0.447 150 D N 5.689 126.006 120.400 -0.139 0.000 2.249 150 D HA 0.312 4.953 4.640 0.000 0.000 0.246 150 D C -0.157 176.118 176.300 -0.042 0.000 1.114 150 D CA -0.145 53.787 54.000 -0.112 0.000 0.854 150 D CB 0.969 41.761 40.800 -0.014 0.000 1.132 150 D HN 0.581 nan 8.370 nan 0.000 0.461 151 Y N 0.453 120.690 120.300 -0.105 0.000 2.220 151 Y HA 0.009 4.559 4.550 0.000 0.000 0.347 151 Y C 1.670 177.555 175.900 -0.024 0.000 1.311 151 Y CA -0.937 57.054 58.100 -0.182 0.000 1.593 151 Y CB 0.845 38.916 38.460 -0.647 0.000 1.419 151 Y HN 0.292 nan 8.280 nan 0.000 0.614 152 K N 1.762 122.252 120.400 0.149 0.000 2.414 152 K HA -0.049 4.271 4.320 0.000 0.000 0.272 152 K C -0.569 176.160 176.600 0.215 0.000 0.993 152 K CA -0.366 55.989 56.287 0.113 0.000 0.964 152 K CB 0.546 33.079 32.500 0.054 0.000 0.925 152 K HN 0.676 nan 8.250 nan 0.000 0.487 153 Q N 2.763 122.669 119.800 0.176 0.000 2.278 153 Q HA 0.208 4.548 4.340 0.000 0.000 0.257 153 Q C -1.374 174.720 176.000 0.157 0.000 0.928 153 Q CA -0.392 55.527 55.803 0.193 0.000 0.932 153 Q CB 1.381 30.207 28.738 0.146 0.000 1.221 153 Q HN 0.710 nan 8.270 nan 0.000 0.434 154 T N 3.654 118.306 114.554 0.163 0.000 2.903 154 T HA 0.457 4.807 4.350 0.000 0.000 0.299 154 T C -1.201 173.569 174.700 0.117 0.000 1.093 154 T CA -0.770 61.412 62.100 0.138 0.000 1.002 154 T CB 1.754 70.721 68.868 0.164 0.000 1.127 154 T HN 0.603 nan 8.240 nan 0.000 0.488 155 Q N 1.732 121.588 119.800 0.094 0.000 2.263 155 Q HA 0.685 5.026 4.340 0.000 0.000 0.266 155 Q C -1.414 174.643 176.000 0.094 0.000 1.002 155 Q CA -0.928 54.930 55.803 0.091 0.000 0.790 155 Q CB 2.387 31.070 28.738 -0.092 0.000 1.272 155 Q HN 0.650 nan 8.270 nan 0.000 0.435 156 L N -1.139 120.214 121.223 0.216 0.000 2.469 156 L HA 0.991 5.331 4.340 0.000 0.000 0.256 156 L C -1.363 175.695 176.870 0.313 0.000 1.006 156 L CA -0.831 54.129 54.840 0.200 0.000 0.832 156 L CB 2.306 44.491 42.059 0.210 0.000 1.421 156 L HN 0.724 nan 8.230 nan 0.000 0.410 157 C N 2.719 122.164 119.300 0.242 0.000 2.716 157 C HA 0.822 5.283 4.460 0.000 0.000 0.366 157 C C -1.099 174.011 174.990 0.200 0.000 1.073 157 C CA -0.300 58.896 59.018 0.297 0.000 1.260 157 C CB 0.234 28.237 27.740 0.439 0.000 1.755 157 C HN 0.853 nan 8.230 nan 0.000 0.475 158 I N 5.779 126.475 120.570 0.209 0.000 2.545 158 I HA 0.520 4.690 4.170 0.000 0.000 0.292 158 I C -0.753 175.484 176.117 0.200 0.000 1.040 158 I CA -0.677 60.721 61.300 0.164 0.000 1.068 158 I CB 1.902 39.949 38.000 0.079 0.000 1.251 158 I HN 0.508 nan 8.210 nan 0.000 0.424 159 L N 4.320 125.682 121.223 0.231 0.000 2.362 159 L HA 0.868 5.208 4.340 0.000 0.000 0.271 159 L C 0.019 176.675 176.870 -0.358 0.000 1.002 159 L CA -0.341 54.590 54.840 0.151 0.000 0.818 159 L CB 2.112 44.411 42.059 0.400 0.000 1.298 159 L HN 0.819 nan 8.230 nan 0.000 0.420 160 G N 0.006 108.526 108.800 -0.466 0.000 2.600 160 G HA2 0.350 4.311 3.960 0.000 0.000 0.293 160 G HA3 0.350 4.311 3.960 0.000 0.000 0.293 160 G C -0.429 174.312 174.900 -0.264 0.000 1.408 160 G CA -0.258 44.255 45.100 -0.980 0.000 0.782 160 G HN 0.710 nan 8.290 nan 0.000 0.482 161 C N -0.825 118.441 119.300 -0.057 0.000 2.668 161 C HA 0.801 5.261 4.460 0.000 0.000 0.301 161 C C 0.849 175.998 174.990 0.265 0.000 1.351 161 C CA -0.103 59.082 59.018 0.279 0.000 1.757 161 C CB -1.534 26.428 27.740 0.369 0.000 2.179 161 C HN 1.345 nan 8.230 nan 0.000 0.586 162 A N 1.107 123.905 122.820 -0.036 0.000 2.556 162 A HA 0.930 5.250 4.320 0.000 0.000 0.294 162 A C -2.962 173.997 177.584 -1.042 0.000 1.091 162 A CA -1.276 50.487 52.037 -0.456 0.000 0.704 162 A CB 1.047 19.931 19.000 -0.195 0.000 1.300 162 A HN 0.169 nan 8.150 nan 0.000 0.406 163 P HA 0.364 nan 4.420 nan 0.000 0.270 163 P C 0.051 177.032 177.300 -0.531 0.000 1.223 163 P CA 0.248 62.631 63.100 -1.195 0.000 0.785 163 P CB 0.735 31.825 31.700 -1.016 0.000 0.923 164 A N 2.037 124.655 122.820 -0.338 0.000 2.313 164 A HA 0.432 4.753 4.320 0.000 0.000 0.261 164 A C 0.055 177.501 177.584 -0.230 0.000 1.090 164 A CA -0.238 51.653 52.037 -0.244 0.000 0.807 164 A CB -0.353 18.529 19.000 -0.196 0.000 1.055 164 A HN 0.433 nan 8.150 nan 0.000 0.492 165 I N 0.448 120.891 120.570 -0.213 0.000 2.377 165 I HA 0.538 4.708 4.170 0.000 0.000 0.293 165 I C 0.867 176.851 176.117 -0.222 0.000 0.987 165 I CA 0.542 61.728 61.300 -0.190 0.000 1.185 165 I CB 1.774 39.685 38.000 -0.148 0.000 1.341 165 I HN 0.715 nan 8.210 nan 0.000 0.455 166 G N 4.221 112.904 108.800 -0.194 0.000 2.644 166 G HA2 0.764 4.724 3.960 0.000 0.000 0.307 166 G HA3 0.764 4.724 3.960 0.000 0.000 0.307 166 G C -1.263 173.590 174.900 -0.079 0.000 1.250 166 G CA -0.442 44.554 45.100 -0.173 0.000 0.996 166 G HN 0.618 nan 8.290 nan 0.000 0.489 167 E N -1.109 119.082 120.200 -0.015 0.000 2.369 167 E HA 0.676 5.027 4.350 0.000 0.000 0.270 167 E C -1.289 175.364 176.600 0.088 0.000 0.909 167 E CA -0.984 55.402 56.400 -0.024 0.000 0.775 167 E CB 2.383 32.036 29.700 -0.079 0.000 1.270 167 E HN 0.807 nan 8.360 nan 0.000 0.445 168 H N -0.090 118.856 119.070 -0.206 0.000 2.969 168 H HA 0.192 4.749 4.556 0.000 0.000 0.304 168 H C -2.068 173.060 175.328 -0.332 0.000 1.400 168 H CA -1.118 54.829 56.048 -0.168 0.000 1.182 168 H CB 0.053 29.806 29.762 -0.014 0.000 1.865 168 H HN 0.633 nan 8.280 nan 0.000 0.512 169 W N 1.580 122.876 121.300 -0.006 0.000 2.338 169 W HA 0.706 5.366 4.660 0.000 0.000 0.307 169 W C 0.065 176.550 176.519 -0.056 0.000 1.167 169 W CA 0.048 57.335 57.345 -0.097 0.000 1.208 169 W CB 1.686 31.117 29.460 -0.047 0.000 1.228 169 W HN 0.819 nan 8.180 nan 0.000 0.499 170 A N 2.981 125.820 122.820 0.032 0.000 2.387 170 A HA 0.635 4.955 4.320 0.000 0.000 0.298 170 A C -0.895 176.733 177.584 0.073 0.000 1.165 170 A CA -1.120 50.954 52.037 0.063 0.000 0.814 170 A CB 1.372 20.367 19.000 -0.009 0.000 1.357 170 A HN 0.539 nan 8.150 nan 0.000 0.443 171 K N 1.302 121.737 120.400 0.058 0.000 2.292 171 K HA 0.337 4.657 4.320 0.000 0.000 0.290 171 K C 0.556 177.176 176.600 0.033 0.000 1.083 171 K CA 0.113 56.426 56.287 0.044 0.000 0.918 171 K CB -0.114 32.405 32.500 0.031 0.000 1.089 171 K HN 0.901 nan 8.250 nan 0.000 0.473 172 G N 3.249 112.072 108.800 0.038 0.000 2.460 172 G HA2 -0.100 3.860 3.960 0.000 0.000 0.230 172 G HA3 -0.100 3.860 3.960 0.000 0.000 0.230 172 G C -0.299 174.610 174.900 0.015 0.000 1.248 172 G CA -0.307 44.808 45.100 0.025 0.000 0.863 172 G HN 0.700 nan 8.290 nan 0.000 0.549 173 T N 1.137 115.696 114.554 0.008 0.000 2.902 173 T HA 0.401 4.752 4.350 0.000 0.000 0.301 173 T C 0.824 175.528 174.700 0.006 0.000 1.012 173 T CA 0.368 62.471 62.100 0.005 0.000 1.151 173 T CB 1.043 69.912 68.868 0.001 0.000 0.946 173 T HN 0.907 nan 8.240 nan 0.000 0.542 174 A N 3.970 126.794 122.820 0.005 0.000 2.454 174 A HA 0.489 4.810 4.320 0.000 0.000 0.260 174 A C 0.934 178.519 177.584 0.003 0.000 1.106 174 A CA -0.818 51.221 52.037 0.004 0.000 0.780 174 A CB -0.101 18.901 19.000 0.003 0.000 1.044 174 A HN 0.951 nan 8.150 nan 0.000 0.498 175 S N 2.331 118.033 115.700 0.003 0.000 2.572 175 S HA 0.154 4.624 4.470 0.000 0.000 0.279 175 S C 0.918 175.518 174.600 0.001 0.000 1.341 175 S CA 0.125 58.326 58.200 0.002 0.000 1.043 175 S CB 0.841 64.042 63.200 0.002 0.000 0.887 175 S HN 0.779 nan 8.310 nan 0.000 0.516 176 K N 1.420 121.820 120.400 0.000 0.000 2.076 176 K HA -0.069 4.251 4.320 0.000 0.000 0.204 176 K C 2.262 178.862 176.600 -0.000 0.000 1.051 176 K CA 1.189 57.476 56.287 -0.000 0.000 0.949 176 K CB -0.727 31.773 32.500 -0.001 0.000 0.726 176 K HN 0.698 nan 8.250 nan 0.000 0.443 177 S N 0.855 116.555 115.700 -0.000 0.000 2.359 177 S HA -0.121 4.349 4.470 0.000 0.000 0.224 177 S C 1.450 176.050 174.600 -0.000 0.000 1.035 177 S CA 0.638 58.837 58.200 -0.000 0.000 1.018 177 S CB -0.192 63.008 63.200 0.000 0.000 0.876 177 S HN 0.164 nan 8.310 nan 0.000 0.448 178 R N 2.563 123.063 120.500 0.000 0.000 2.564 178 R HA 0.438 4.778 4.340 0.000 0.000 0.282 178 R C -2.902 173.398 176.300 -0.000 0.000 1.573 178 R CA -2.349 53.751 56.100 0.000 0.000 1.588 178 R CB 0.705 31.005 30.300 0.000 0.000 1.154 178 R HN 0.412 nan 8.270 nan 0.000 0.606 179 P HA 0.014 nan 4.420 nan 0.000 0.271 179 P C -0.571 176.729 177.300 -0.001 0.000 1.233 179 P CA -0.561 62.538 63.100 -0.001 0.000 0.789 179 P CB 1.061 32.760 31.700 -0.001 0.000 0.951 180 L N 1.621 122.843 121.223 -0.001 0.000 2.295 180 L HA 0.241 4.582 4.340 0.000 0.000 0.281 180 L C 0.137 177.005 176.870 -0.003 0.000 1.018 180 L CA -0.397 54.442 54.840 -0.002 0.000 0.841 180 L CB 0.519 42.578 42.059 -0.001 0.000 1.218 180 L HN 0.426 nan 8.230 nan 0.000 0.424 181 S N 2.855 118.552 115.700 -0.004 0.000 2.549 181 S HA 0.179 4.650 4.470 0.000 0.000 0.286 181 S C 0.179 174.775 174.600 -0.006 0.000 1.314 181 S CA -0.489 57.708 58.200 -0.005 0.000 1.062 181 S CB 0.525 63.722 63.200 -0.005 0.000 0.865 181 S HN 0.643 nan 8.310 nan 0.000 0.498 182 Q N 1.863 121.660 119.800 -0.007 0.000 2.262 182 Q HA 0.372 4.712 4.340 0.000 0.000 0.298 182 Q C 1.290 177.285 176.000 -0.010 0.000 1.083 182 Q CA 1.730 57.529 55.803 -0.008 0.000 0.962 182 Q CB -0.304 28.429 28.738 -0.008 0.000 1.104 182 Q HN 1.330 nan 8.270 nan 0.000 0.376 183 G N 3.334 112.127 108.800 -0.011 0.000 2.278 183 G HA2 -0.200 3.761 3.960 0.000 0.000 0.210 183 G HA3 -0.200 3.761 3.960 0.000 0.000 0.210 183 G C -0.270 174.622 174.900 -0.014 0.000 1.000 183 G CA -0.129 44.963 45.100 -0.014 0.000 0.635 183 G HN 0.639 nan 8.290 nan 0.000 0.495 184 D N 0.236 120.629 120.400 -0.012 0.000 2.357 184 D HA 0.444 5.084 4.640 0.000 0.000 0.242 184 D C 0.797 177.089 176.300 -0.013 0.000 1.153 184 D CA 0.159 54.152 54.000 -0.012 0.000 0.918 184 D CB 1.121 41.916 40.800 -0.009 0.000 1.181 184 D HN 0.437 nan 8.370 nan 0.000 0.435 185 C N 3.467 122.757 119.300 -0.016 0.000 2.499 185 C HA 0.402 4.862 4.460 0.000 0.000 0.386 185 C C -1.837 173.145 174.990 -0.014 0.000 1.293 185 C CA -1.369 57.638 59.018 -0.018 0.000 1.884 185 C CB -0.676 27.049 27.740 -0.025 0.000 2.509 185 C HN 0.464 nan 8.230 nan 0.000 0.566 186 P HA 0.349 nan 4.420 nan 0.000 0.274 186 P C -2.784 174.515 177.300 -0.001 0.000 1.260 186 P CA -0.831 62.267 63.100 -0.003 0.000 0.793 186 P CB -0.055 31.646 31.700 0.002 0.000 1.048 187 P HA 0.250 nan 4.420 nan 0.000 0.296 187 P C -0.639 176.688 177.300 0.045 0.000 1.306 187 P CA -0.404 62.707 63.100 0.018 0.000 0.818 187 P CB 0.779 32.491 31.700 0.021 0.000 0.969 188 L N 2.223 123.482 121.223 0.061 0.000 2.397 188 L HA 0.408 4.749 4.340 0.000 0.000 0.271 188 L C 0.882 177.910 176.870 0.263 0.000 1.148 188 L CA 0.260 55.197 54.840 0.162 0.000 0.825 188 L CB -0.228 41.903 42.059 0.119 0.000 1.117 188 L HN 0.597 nan 8.230 nan 0.000 0.456 189 E N 2.052 122.404 120.200 0.252 0.000 2.272 189 E HA 0.338 4.688 4.350 0.000 0.000 0.269 189 E C -1.514 175.020 176.600 -0.110 0.000 0.877 189 E CA -0.929 55.544 56.400 0.122 0.000 0.755 189 E CB 2.469 32.179 29.700 0.017 0.000 1.192 189 E HN 0.408 nan 8.360 nan 0.000 0.422 190 L N 4.076 125.060 121.223 -0.398 0.000 2.361 190 L HA 0.325 4.665 4.340 0.000 0.000 0.278 190 L C -0.761 175.801 176.870 -0.514 0.000 1.113 190 L CA 0.500 54.828 54.840 -0.853 0.000 0.849 190 L CB 0.324 41.814 42.059 -0.949 0.000 1.155 190 L HN 0.442 nan 8.230 nan 0.000 0.452 191 K N 4.045 124.093 120.400 -0.586 0.000 2.292 191 K HA 0.421 4.742 4.320 0.000 0.000 0.257 191 K C -0.931 175.490 176.600 -0.298 0.000 0.940 191 K CA -0.901 55.140 56.287 -0.410 0.000 0.811 191 K CB 1.289 33.505 32.500 -0.472 0.000 1.120 191 K HN 0.577 nan 8.250 nan 0.000 0.428 192 N N 1.137 119.735 118.700 -0.171 0.000 2.473 192 N HA 0.296 5.036 4.740 0.000 0.000 0.291 192 N C -0.608 174.867 175.510 -0.057 0.000 1.083 192 N CA 0.018 53.002 53.050 -0.109 0.000 0.951 192 N CB 1.951 40.379 38.487 -0.097 0.000 1.164 192 N HN 0.568 nan 8.380 nan 0.000 0.480 193 T N -0.832 113.697 114.554 -0.041 0.000 2.853 193 T HA 0.385 4.735 4.350 0.000 0.000 0.311 193 T C -1.163 173.492 174.700 -0.075 0.000 1.307 193 T CA -0.598 61.484 62.100 -0.030 0.000 1.019 193 T CB 0.761 69.645 68.868 0.027 0.000 1.264 193 T HN 0.020 nan 8.240 nan 0.000 0.497 194 V N 4.163 124.032 119.914 -0.075 0.000 2.583 194 V HA 0.385 4.506 4.120 0.000 0.000 0.287 194 V C 0.366 176.378 176.094 -0.137 0.000 1.051 194 V CA -0.565 61.672 62.300 -0.105 0.000 1.010 194 V CB 0.966 32.748 31.823 -0.068 0.000 0.988 194 V HN 0.737 nan 8.190 nan 0.000 0.478 195 L N 5.531 126.642 121.223 -0.188 0.000 2.283 195 L HA 0.347 4.687 4.340 0.000 0.000 0.287 195 L C 0.467 177.263 176.870 -0.123 0.000 1.073 195 L CA 0.125 54.797 54.840 -0.279 0.000 0.822 195 L CB 0.335 42.111 42.059 -0.471 0.000 1.186 195 L HN 0.702 nan 8.230 nan 0.000 0.436 196 E N 1.510 121.637 120.200 -0.122 0.000 2.250 196 E HA 0.151 4.501 4.350 0.000 0.000 0.269 196 E C -0.834 175.762 176.600 -0.006 0.000 1.018 196 E CA -0.869 55.473 56.400 -0.096 0.000 0.873 196 E CB 1.314 30.877 29.700 -0.229 0.000 1.134 196 E HN 0.426 nan 8.360 nan 0.000 0.403 197 D N 0.003 120.430 120.400 0.046 0.000 2.434 197 D HA 0.196 4.836 4.640 0.000 0.000 0.252 197 D C 0.737 177.068 176.300 0.051 0.000 1.185 197 D CA 1.557 55.601 54.000 0.073 0.000 0.886 197 D CB 0.170 41.027 40.800 0.095 0.000 1.148 197 D HN 0.568 nan 8.370 nan 0.000 0.483 198 G N 3.389 112.249 108.800 0.101 0.000 2.253 198 G HA2 -0.210 3.751 3.960 0.000 0.000 0.209 198 G HA3 -0.210 3.751 3.960 0.000 0.000 0.209 198 G C 0.059 175.036 174.900 0.128 0.000 0.997 198 G CA -0.132 45.027 45.100 0.099 0.000 0.640 198 G HN 0.606 nan 8.290 nan 0.000 0.496 199 D N 1.420 121.904 120.400 0.140 0.000 2.368 199 D HA 0.434 5.074 4.640 0.000 0.000 0.240 199 D C 1.019 177.514 176.300 0.325 0.000 1.169 199 D CA 0.326 54.425 54.000 0.165 0.000 0.906 199 D CB 0.473 41.314 40.800 0.068 0.000 1.187 199 D HN 0.061 nan 8.370 nan 0.000 0.435 200 M N 1.056 120.813 119.600 0.261 0.000 2.367 200 M HA 0.224 4.705 4.480 0.000 0.000 0.339 200 M C 0.162 176.649 176.300 0.312 0.000 1.177 200 M CA -0.906 54.541 55.300 0.245 0.000 1.068 200 M CB 1.359 34.053 32.600 0.156 0.000 1.602 200 M HN 0.141 nan 8.290 nan 0.000 0.457 201 V N -0.767 119.259 119.914 0.186 0.000 3.262 201 V HA 0.402 4.522 4.120 0.000 0.000 0.313 201 V C 0.047 176.236 176.094 0.160 0.000 1.070 201 V CA -1.068 61.329 62.300 0.162 0.000 1.049 201 V CB 0.694 32.493 31.823 -0.040 0.000 1.157 201 V HN 0.818 nan 8.190 nan 0.000 0.454 202 D N 1.345 121.862 120.400 0.195 0.000 2.412 202 D HA 0.083 4.724 4.640 0.000 0.000 0.257 202 D C 1.307 177.614 176.300 0.011 0.000 1.217 202 D CA 0.884 54.958 54.000 0.123 0.000 0.897 202 D CB 1.062 41.911 40.800 0.082 0.000 1.132 202 D HN 0.944 nan 8.370 nan 0.000 0.493 203 T N 0.699 115.164 114.554 -0.149 0.000 3.081 203 T HA 0.322 4.672 4.350 0.000 0.000 0.250 203 T C 1.376 175.955 174.700 -0.202 0.000 1.100 203 T CA 0.304 62.155 62.100 -0.415 0.000 1.038 203 T CB 0.312 68.277 68.868 -1.505 0.000 0.962 203 T HN 0.586 nan 8.240 nan 0.000 0.516 204 G N 0.191 108.955 108.800 -0.059 0.000 2.370 204 G HA2 -0.134 3.826 3.960 0.000 0.000 0.174 204 G HA3 -0.134 3.826 3.960 0.000 0.000 0.174 204 G C 0.168 174.979 174.900 -0.150 0.000 1.002 204 G CA -0.281 44.757 45.100 -0.103 0.000 0.730 204 G HN 0.469 nan 8.290 nan 0.000 0.497 205 Y N 1.563 121.885 120.300 0.036 0.000 2.607 205 Y HA 0.488 5.039 4.550 0.000 0.000 0.266 205 Y C 1.494 177.529 175.900 0.224 0.000 1.178 205 Y CA 0.465 58.659 58.100 0.156 0.000 1.226 205 Y CB 0.747 39.334 38.460 0.212 0.000 1.144 205 Y HN 0.993 nan 8.280 nan 0.000 0.528 206 G N 0.592 109.543 108.800 0.252 0.000 2.699 206 G HA2 0.117 4.078 3.960 0.000 0.000 0.686 206 G HA3 0.117 4.078 3.960 0.000 0.000 0.686 206 G C -0.715 174.344 174.900 0.266 0.000 1.301 206 G CA -0.713 44.506 45.100 0.198 0.000 0.816 206 G HN 0.541 nan 8.290 nan 0.000 0.595 207 A N 1.377 124.342 122.820 0.241 0.000 2.582 207 A HA 0.792 5.112 4.320 0.000 0.000 0.336 207 A C 0.536 178.306 177.584 0.310 0.000 1.445 207 A CA 0.803 53.014 52.037 0.289 0.000 0.997 207 A CB -0.513 18.662 19.000 0.292 0.000 1.148 207 A HN 1.899 nan 8.150 nan 0.000 0.514 208 M N -0.123 119.576 119.600 0.165 0.000 2.755 208 M HA 0.557 5.038 4.480 0.000 0.000 0.273 208 M C -1.494 174.778 176.300 -0.047 0.000 1.278 208 M CA -0.903 54.429 55.300 0.053 0.000 0.819 208 M CB 1.431 33.902 32.600 -0.215 0.000 1.694 208 M HN 0.214 nan 8.290 nan 0.000 0.460 209 D N 0.870 121.289 120.400 0.032 0.000 2.441 209 D HA 0.319 4.959 4.640 0.000 0.000 0.221 209 D C -0.151 176.120 176.300 -0.049 0.000 1.156 209 D CA -0.141 53.879 54.000 0.034 0.000 0.896 209 D CB 0.051 40.930 40.800 0.133 0.000 1.028 209 D HN 0.537 nan 8.370 nan 0.000 0.509 210 F N 1.191 121.173 119.950 0.053 0.000 2.407 210 F HA -0.131 4.396 4.527 0.000 0.000 0.299 210 F C 2.676 178.490 175.800 0.023 0.000 1.097 210 F CA 0.775 58.794 58.000 0.032 0.000 1.422 210 F CB -0.097 38.908 39.000 0.008 0.000 1.067 210 F HN 0.365 nan 8.300 nan 0.000 0.539 211 S N -1.253 114.557 115.700 0.183 0.000 2.453 211 S HA -0.116 4.354 4.470 0.000 0.000 0.231 211 S C 1.743 176.387 174.600 0.073 0.000 1.005 211 S CA 1.280 59.549 58.200 0.115 0.000 0.949 211 S CB -0.907 62.350 63.200 0.094 0.000 0.774 211 S HN 0.421 nan 8.310 nan 0.000 0.510 212 T N -2.325 112.264 114.554 0.060 0.000 3.010 212 T HA 0.410 4.760 4.350 0.000 0.000 0.257 212 T C 1.059 175.773 174.700 0.023 0.000 1.020 212 T CA -0.261 61.863 62.100 0.040 0.000 0.938 212 T CB 0.055 68.951 68.868 0.045 0.000 1.049 212 T HN 0.210 nan 8.240 nan 0.000 0.522 213 L N 0.522 121.751 121.223 0.010 0.000 2.638 213 L HA 0.493 4.833 4.340 0.000 0.000 0.232 213 L C 0.442 177.304 176.870 -0.013 0.000 1.099 213 L CA 0.650 55.480 54.840 -0.017 0.000 0.883 213 L CB 0.068 42.090 42.059 -0.061 0.000 1.136 213 L HN 0.322 nan 8.230 nan 0.000 0.492 214 Q N -0.581 119.228 119.800 0.016 0.000 2.464 214 Q HA 0.149 4.489 4.340 0.000 0.000 0.256 214 Q C -0.163 175.847 176.000 0.017 0.000 1.020 214 Q CA -0.269 55.546 55.803 0.020 0.000 0.716 214 Q CB 1.310 30.087 28.738 0.064 0.000 1.230 214 Q HN -0.003 nan 8.270 nan 0.000 0.494 215 D N 0.323 120.722 120.400 -0.002 0.000 2.263 215 D HA -0.124 4.517 4.640 0.000 0.000 0.208 215 D C 1.353 177.645 176.300 -0.014 0.000 0.971 215 D CA 1.368 55.365 54.000 -0.005 0.000 0.867 215 D CB 0.380 41.173 40.800 -0.013 0.000 0.929 215 D HN 0.404 nan 8.370 nan 0.000 0.492 216 T N 0.204 114.739 114.554 -0.031 0.000 2.708 216 T HA -0.141 4.210 4.350 0.000 0.000 0.266 216 T C 0.924 175.596 174.700 -0.047 0.000 1.037 216 T CA 1.315 63.382 62.100 -0.055 0.000 1.146 216 T CB -0.031 68.783 68.868 -0.091 0.000 0.865 216 T HN 0.198 nan 8.240 nan 0.000 0.435 217 K N -1.497 118.885 120.400 -0.030 0.000 3.379 217 K HA -0.133 4.187 4.320 0.000 0.000 0.300 217 K C -0.157 176.417 176.600 -0.044 0.000 1.302 217 K CA 0.437 56.734 56.287 0.016 0.000 0.877 217 K CB -2.232 30.306 32.500 0.064 0.000 1.343 217 K HN 0.413 nan 8.250 nan 0.000 0.488 218 C N -0.006 119.157 119.300 -0.230 0.000 3.613 218 C HA 0.146 4.606 4.460 0.000 0.000 0.277 218 C C 1.236 175.894 174.990 -0.553 0.000 2.235 218 C CA -0.684 57.992 59.018 -0.569 0.000 1.657 218 C CB 0.132 27.625 27.740 -0.411 0.000 3.412 218 C HN 0.325 nan 8.230 nan 0.000 0.432 219 E N 1.086 121.050 120.200 -0.394 0.000 2.431 219 E HA 0.166 4.516 4.350 0.000 0.000 0.200 219 E C 0.624 176.892 176.600 -0.553 0.000 0.995 219 E CA 0.791 56.925 56.400 -0.442 0.000 0.915 219 E CB 0.957 30.553 29.700 -0.173 0.000 0.930 219 E HN 0.609 nan 8.360 nan 0.000 0.496 220 V N -2.070 117.593 119.914 -0.418 0.000 3.159 220 V HA 0.564 4.684 4.120 0.000 0.000 0.308 220 V C -2.955 173.070 176.094 -0.115 0.000 1.190 220 V CA -3.058 58.978 62.300 -0.440 0.000 1.037 220 V CB 1.728 33.109 31.823 -0.736 0.000 1.060 220 V HN -0.280 nan 8.190 nan 0.000 0.437 221 P HA 0.142 nan 4.420 nan 0.000 0.267 221 P C 0.811 178.101 177.300 -0.016 0.000 1.201 221 P CA -0.097 63.021 63.100 0.029 0.000 0.775 221 P CB 0.373 32.049 31.700 -0.041 0.000 0.854 222 L N 2.447 123.611 121.223 -0.098 0.000 2.103 222 L HA -0.231 4.110 4.340 0.000 0.000 0.215 222 L C 1.689 178.564 176.870 0.008 0.000 1.080 222 L CA 2.107 56.897 54.840 -0.082 0.000 0.764 222 L CB -1.539 40.444 42.059 -0.127 0.000 0.890 222 L HN 0.494 nan 8.230 nan 0.000 0.435 223 D N -1.348 119.043 120.400 -0.016 0.000 2.348 223 D HA -0.139 4.502 4.640 0.000 0.000 0.216 223 D C 1.693 178.024 176.300 0.053 0.000 0.970 223 D CA 1.146 55.201 54.000 0.090 0.000 0.889 223 D CB -0.314 40.586 40.800 0.166 0.000 0.912 223 D HN 0.602 nan 8.370 nan 0.000 0.524 224 I N -3.550 116.987 120.570 -0.055 0.000 4.592 224 I HA 0.236 4.406 4.170 0.000 0.000 0.329 224 I C 2.056 178.040 176.117 -0.222 0.000 1.309 224 I CA -0.612 60.584 61.300 -0.173 0.000 1.243 224 I CB -0.011 37.746 38.000 -0.406 0.000 1.241 224 I HN 0.013 nan 8.210 nan 0.000 0.434 225 C N 1.947 121.155 119.300 -0.153 0.000 2.366 225 C HA -0.225 4.236 4.460 0.000 0.000 0.271 225 C C 1.997 177.021 174.990 0.056 0.000 1.152 225 C CA 1.816 60.802 59.018 -0.053 0.000 1.809 225 C CB -0.860 26.918 27.740 0.062 0.000 2.107 225 C HN 0.680 nan 8.230 nan 0.000 0.455 226 Q N 0.677 120.520 119.800 0.072 0.000 2.182 226 Q HA 0.363 4.704 4.340 0.000 0.000 0.305 226 Q C -0.207 175.853 176.000 0.101 0.000 0.880 226 Q CA 0.105 55.966 55.803 0.097 0.000 1.131 226 Q CB 1.077 29.860 28.738 0.076 0.000 1.237 226 Q HN 0.755 nan 8.270 nan 0.000 0.447 227 S N -0.453 115.319 115.700 0.120 0.000 2.745 227 S HA 0.639 5.109 4.470 0.000 0.000 0.306 227 S C 0.030 174.736 174.600 0.177 0.000 1.137 227 S CA -0.673 57.597 58.200 0.116 0.000 0.900 227 S CB 1.662 64.915 63.200 0.088 0.000 1.176 227 S HN 0.190 nan 8.310 nan 0.000 0.520 228 I N 1.233 121.861 120.570 0.096 0.000 2.339 228 I HA 0.304 4.474 4.170 0.000 0.000 0.290 228 I C -0.836 175.332 176.117 0.086 0.000 0.994 228 I CA -0.436 60.889 61.300 0.041 0.000 1.191 228 I CB 0.833 38.727 38.000 -0.177 0.000 1.343 228 I HN 0.460 nan 8.210 nan 0.000 0.458 229 C N 6.740 126.169 119.300 0.215 0.000 2.325 229 C HA 0.371 4.831 4.460 0.000 0.000 0.347 229 C C 0.576 175.692 174.990 0.209 0.000 1.263 229 C CA -0.744 58.417 59.018 0.239 0.000 1.806 229 C CB -0.249 27.685 27.740 0.323 0.000 2.405 229 C HN 0.694 nan 8.230 nan 0.000 0.537 230 K N 1.747 122.294 120.400 0.244 0.000 2.185 230 K HA 0.567 4.888 4.320 0.000 0.000 0.240 230 K C -1.318 175.530 176.600 0.414 0.000 0.983 230 K CA -0.619 55.806 56.287 0.229 0.000 0.873 230 K CB 1.794 34.318 32.500 0.040 0.000 1.118 230 K HN 0.617 nan 8.250 nan 0.000 0.441 231 Y N 1.153 121.554 120.300 0.167 0.000 2.373 231 Y HA 0.286 4.836 4.550 0.000 0.000 0.336 231 Y C -2.693 173.231 175.900 0.041 0.000 0.979 231 Y CA -2.597 55.614 58.100 0.186 0.000 1.080 231 Y CB 1.669 40.238 38.460 0.181 0.000 1.190 231 Y HN 0.386 nan 8.280 nan 0.000 0.446 232 P HA -0.082 nan 4.420 nan 0.000 0.261 232 P C -0.747 176.094 177.300 -0.765 0.000 1.173 232 P CA 0.673 63.317 63.100 -0.760 0.000 0.760 232 P CB 0.477 31.411 31.700 -1.277 0.000 0.783 233 D N 2.773 122.901 120.400 -0.453 0.000 2.522 233 D HA 0.058 4.698 4.640 0.000 0.000 0.218 233 D C 0.450 176.631 176.300 -0.198 0.000 1.149 233 D CA -0.166 53.697 54.000 -0.227 0.000 0.981 233 D CB -0.374 40.346 40.800 -0.134 0.000 1.041 233 D HN 0.315 nan 8.370 nan 0.000 0.518 234 Y N 1.251 121.493 120.300 -0.096 0.000 2.293 234 Y HA -0.116 4.434 4.550 0.000 0.000 0.291 234 Y C 2.178 178.061 175.900 -0.028 0.000 1.137 234 Y CA 0.613 58.671 58.100 -0.069 0.000 1.202 234 Y CB 0.069 38.488 38.460 -0.069 0.000 0.990 234 Y HN 0.325 nan 8.280 nan 0.000 0.537 235 L N -0.347 120.966 121.223 0.150 0.000 2.027 235 L HA -0.237 4.104 4.340 0.000 0.000 0.206 235 L C 2.594 179.494 176.870 0.050 0.000 1.074 235 L CA 1.715 56.611 54.840 0.094 0.000 0.745 235 L CB -0.498 41.611 42.059 0.083 0.000 0.898 235 L HN 0.228 nan 8.230 nan 0.000 0.433 236 Q N -0.116 119.696 119.800 0.020 0.000 2.230 236 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 236 Q C 2.033 178.034 176.000 0.001 0.000 0.963 236 Q CA 1.593 57.396 55.803 0.000 0.000 0.866 236 Q CB -0.144 28.577 28.738 -0.028 0.000 0.931 236 Q HN 0.414 nan 8.270 nan 0.000 0.452 237 M N -0.539 119.057 119.600 -0.005 0.000 2.349 237 M HA 0.006 4.486 4.480 0.000 0.000 0.266 237 M C 1.797 178.117 176.300 0.033 0.000 1.076 237 M CA 0.988 56.286 55.300 -0.004 0.000 1.126 237 M CB 0.256 32.833 32.600 -0.039 0.000 1.392 237 M HN 0.192 nan 8.290 nan 0.000 0.440 238 S N 0.521 116.250 115.700 0.048 0.000 2.406 238 S HA -0.003 4.467 4.470 0.000 0.000 0.228 238 S C 2.014 176.639 174.600 0.041 0.000 1.020 238 S CA 1.126 59.355 58.200 0.049 0.000 0.965 238 S CB -0.190 63.040 63.200 0.050 0.000 0.798 238 S HN 0.543 nan 8.310 nan 0.000 0.488 239 A N 1.467 124.309 122.820 0.037 0.000 1.930 239 A HA -0.004 4.316 4.320 0.000 0.000 0.217 239 A C 0.893 178.501 177.584 0.041 0.000 1.175 239 A CA 0.555 52.612 52.037 0.034 0.000 0.627 239 A CB -0.725 18.291 19.000 0.027 0.000 0.815 239 A HN 0.444 nan 8.150 nan 0.000 0.443 240 D N 0.413 120.841 120.400 0.046 0.000 2.923 240 D HA -0.058 4.582 4.640 0.000 0.000 0.220 240 D C -0.793 175.557 176.300 0.085 0.000 1.099 240 D CA 0.029 54.070 54.000 0.068 0.000 0.807 240 D CB 0.761 41.610 40.800 0.081 0.000 1.155 240 D HN 0.217 nan 8.370 nan 0.000 0.524 241 P HA -0.189 nan 4.420 nan 0.000 0.218 241 P C 0.722 178.002 177.300 -0.033 0.000 1.149 241 P CA 1.420 64.497 63.100 -0.038 0.000 0.817 241 P CB 0.028 31.612 31.700 -0.194 0.000 0.785 242 Y N -0.572 119.839 120.300 0.186 0.000 2.503 242 Y HA 0.334 4.884 4.550 0.000 0.000 0.277 242 Y C 1.852 177.929 175.900 0.295 0.000 1.102 242 Y CA 0.847 59.094 58.100 0.245 0.000 1.261 242 Y CB -0.323 38.242 38.460 0.175 0.000 1.096 242 Y HN 0.037 nan 8.280 nan 0.000 0.546 243 G N 0.649 109.660 108.800 0.351 0.000 2.182 243 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 243 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 243 G C 0.246 175.322 174.900 0.293 0.000 1.042 243 G CA 0.514 45.780 45.100 0.276 0.000 0.775 243 G HN 0.348 nan 8.290 nan 0.000 0.501 244 D N -0.059 120.502 120.400 0.268 0.000 2.354 244 D HA 0.121 4.761 4.640 0.000 0.000 0.209 244 D C 2.309 178.613 176.300 0.007 0.000 1.015 244 D CA 0.920 55.056 54.000 0.226 0.000 0.867 244 D CB 0.130 41.088 40.800 0.263 0.000 0.933 244 D HN 0.383 nan 8.370 nan 0.000 0.520 245 S N 0.408 116.102 115.700 -0.012 0.000 2.383 245 S HA -0.035 4.435 4.470 0.000 0.000 0.227 245 S C 1.124 175.614 174.600 -0.183 0.000 1.026 245 S CA 0.659 58.793 58.200 -0.110 0.000 0.981 245 S CB -0.036 63.125 63.200 -0.066 0.000 0.818 245 S HN 0.428 nan 8.310 nan 0.000 0.472 246 M N -0.410 119.102 119.600 -0.145 0.000 2.310 246 M HA 0.418 4.898 4.480 0.000 0.000 0.242 246 M C -1.412 174.891 176.300 0.005 0.000 1.000 246 M CA -0.669 54.533 55.300 -0.162 0.000 0.970 246 M CB 0.800 33.373 32.600 -0.045 0.000 2.191 246 M HN 0.013 nan 8.290 nan 0.000 0.470 247 F N 1.440 121.494 119.950 0.174 0.000 2.735 247 F HA 0.722 5.249 4.527 0.000 0.000 0.304 247 F C -1.049 174.912 175.800 0.268 0.000 1.119 247 F CA -1.472 56.633 58.000 0.176 0.000 1.280 247 F CB -0.064 39.031 39.000 0.159 0.000 0.994 247 F HN 0.508 nan 8.300 nan 0.000 0.520 248 F N 1.849 121.954 119.950 0.259 0.000 2.683 248 F HA 0.511 5.038 4.527 0.000 0.000 0.333 248 F C -1.791 174.063 175.800 0.090 0.000 1.160 248 F CA -1.631 56.479 58.000 0.183 0.000 1.099 248 F CB 0.805 39.953 39.000 0.246 0.000 1.344 248 F HN 0.185 nan 8.300 nan 0.000 0.534 249 C N 7.754 126.753 119.300 -0.503 0.000 2.608 249 C HA 0.905 5.365 4.460 0.000 0.000 0.325 249 C C -2.244 172.454 174.990 -0.487 0.000 1.147 249 C CA -0.620 58.218 59.018 -0.300 0.000 1.359 249 C CB 0.675 28.398 27.740 -0.029 0.000 1.912 249 C HN 0.829 nan 8.230 nan 0.000 0.466 250 L N 6.103 127.118 121.223 -0.346 0.000 2.441 250 L HA 0.733 5.074 4.340 0.000 0.000 0.270 250 L C -0.152 176.633 176.870 -0.141 0.000 0.973 250 L CA -0.032 54.619 54.840 -0.316 0.000 0.842 250 L CB 1.609 43.418 42.059 -0.417 0.000 1.239 250 L HN 0.923 nan 8.230 nan 0.000 0.406 251 R N 2.472 122.893 120.500 -0.133 0.000 2.744 251 R HA 0.930 5.270 4.340 0.000 0.000 0.279 251 R C -0.839 175.422 176.300 -0.066 0.000 0.977 251 R CA -1.071 54.994 56.100 -0.058 0.000 0.906 251 R CB 2.193 32.453 30.300 -0.066 0.000 1.197 251 R HN 0.440 nan 8.270 nan 0.000 0.463 252 R N 1.575 122.062 120.500 -0.022 0.000 2.605 252 R HA 0.176 4.516 4.340 0.000 0.000 0.291 252 R C -1.404 174.915 176.300 0.032 0.000 1.226 252 R CA -0.359 55.730 56.100 -0.017 0.000 0.981 252 R CB 1.345 31.615 30.300 -0.050 0.000 1.215 252 R HN 0.974 nan 8.270 nan 0.000 0.428 253 E N 3.905 124.137 120.200 0.054 0.000 2.320 253 E HA 0.453 4.803 4.350 0.000 0.000 0.264 253 E C -1.365 175.274 176.600 0.065 0.000 0.923 253 E CA -1.083 55.366 56.400 0.082 0.000 0.796 253 E CB 2.569 32.341 29.700 0.120 0.000 1.262 253 E HN 0.630 nan 8.360 nan 0.000 0.428 254 Q N 0.837 120.683 119.800 0.077 0.000 2.527 254 Q HA 0.565 4.905 4.340 0.000 0.000 0.280 254 Q C -1.460 174.598 176.000 0.097 0.000 0.977 254 Q CA -1.143 54.707 55.803 0.079 0.000 0.837 254 Q CB 1.735 30.519 28.738 0.076 0.000 1.454 254 Q HN 0.589 nan 8.270 nan 0.000 0.387 255 L N -1.095 120.196 121.223 0.114 0.000 3.020 255 L HA 0.868 5.208 4.340 0.000 0.000 0.273 255 L C -1.868 175.125 176.870 0.206 0.000 1.018 255 L CA -0.806 54.098 54.840 0.107 0.000 0.950 255 L CB 0.733 42.805 42.059 0.022 0.000 1.510 255 L HN 1.063 nan 8.230 nan 0.000 0.404 256 F N -0.823 119.126 119.950 -0.001 0.000 2.713 256 F HA 0.924 5.451 4.527 0.000 0.000 0.311 256 F C -0.734 175.060 175.800 -0.010 0.000 1.141 256 F CA -0.633 57.361 58.000 -0.010 0.000 0.939 256 F CB 1.088 40.083 39.000 -0.009 0.000 1.325 256 F HN 0.927 nan 8.300 nan 0.000 0.453 257 A N 2.592 125.540 122.820 0.212 0.000 2.350 257 A HA 0.521 4.841 4.320 0.000 0.000 0.293 257 A C 0.947 178.575 177.584 0.073 0.000 1.231 257 A CA -0.211 51.872 52.037 0.077 0.000 0.883 257 A CB 0.379 19.511 19.000 0.220 0.000 1.133 257 A HN 0.938 nan 8.150 nan 0.000 0.533 258 R N 2.046 122.393 120.500 -0.256 0.000 2.052 258 R HA 0.105 4.446 4.340 0.000 0.000 0.224 258 R C -0.052 175.988 176.300 -0.432 0.000 1.149 258 R CA 1.519 57.471 56.100 -0.247 0.000 0.962 258 R CB -0.139 30.000 30.300 -0.268 0.000 0.856 258 R HN 0.831 nan 8.270 nan 0.000 0.433 259 H N -1.979 116.852 119.070 -0.397 0.000 2.797 259 H HA 0.402 4.958 4.556 0.000 0.000 0.372 259 H C -1.214 173.833 175.328 -0.468 0.000 1.168 259 H CA -0.643 55.013 56.048 -0.653 0.000 1.163 259 H CB 1.546 30.715 29.762 -0.989 0.000 1.778 259 H HN -0.002 nan 8.280 nan 0.000 0.551 260 F N 1.825 121.469 119.950 -0.511 0.000 2.426 260 F HA 0.304 4.831 4.527 0.000 0.000 0.348 260 F C -0.663 175.041 175.800 -0.159 0.000 1.124 260 F CA -0.768 57.062 58.000 -0.282 0.000 1.008 260 F CB 1.268 40.200 39.000 -0.114 0.000 1.139 260 F HN 0.175 nan 8.300 nan 0.000 0.452 261 W N 1.538 123.069 121.300 0.383 0.000 3.031 261 W HA 0.308 4.968 4.660 0.001 0.000 0.337 261 W C -0.726 175.947 176.519 0.257 0.000 1.187 261 W CA -1.125 56.400 57.345 0.299 0.000 1.166 261 W CB 1.514 31.138 29.460 0.274 0.000 1.437 261 W HN 0.437 nan 8.180 nan 0.000 0.551 262 N N 0.773 119.733 118.700 0.434 0.000 2.458 262 N HA 0.427 5.167 4.740 0.000 0.000 0.271 262 N C -0.475 175.091 175.510 0.093 0.000 1.210 262 N CA -0.610 52.531 53.050 0.151 0.000 0.978 262 N CB 0.931 39.478 38.487 0.100 0.000 1.206 262 N HN -0.064 nan 8.380 nan 0.000 0.536 263 R N 0.906 121.391 120.500 -0.025 0.000 2.445 263 R HA 0.444 4.784 4.340 0.000 0.000 0.308 263 R C -0.783 175.481 176.300 -0.060 0.000 0.961 263 R CA -0.655 55.423 56.100 -0.037 0.000 0.862 263 R CB 1.331 31.600 30.300 -0.053 0.000 1.144 263 R HN 0.592 nan 8.270 nan 0.000 0.447 264 A N 1.070 123.853 122.820 -0.061 0.000 2.351 264 A HA 0.720 5.041 4.320 0.000 0.000 0.257 264 A C 0.470 178.016 177.584 -0.063 0.000 1.087 264 A CA 0.630 52.632 52.037 -0.058 0.000 0.798 264 A CB 0.442 19.408 19.000 -0.057 0.000 1.033 264 A HN 0.833 nan 8.150 nan 0.000 0.488 265 G N -0.502 108.265 108.800 -0.056 0.000 2.354 265 G HA2 0.460 4.420 3.960 0.000 0.000 0.582 265 G HA3 0.460 4.420 3.960 0.000 0.000 0.582 265 G C -0.297 174.573 174.900 -0.049 0.000 1.316 265 G CA -0.167 44.902 45.100 -0.053 0.000 0.995 265 G HN 1.909 nan 8.290 nan 0.000 0.573 266 T N -0.612 113.916 114.554 -0.043 0.000 2.817 266 T HA 0.577 4.927 4.350 0.000 0.000 0.293 266 T C 0.847 175.522 174.700 -0.041 0.000 0.964 266 T CA -0.661 61.416 62.100 -0.038 0.000 1.085 266 T CB 0.988 69.838 68.868 -0.029 0.000 0.921 266 T HN 0.601 nan 8.240 nan 0.000 0.502 267 M N 3.648 123.222 119.600 -0.043 0.000 2.246 267 M HA 0.204 4.684 4.480 0.000 0.000 0.350 267 M C 1.612 177.894 176.300 -0.030 0.000 1.406 267 M CA -0.337 54.937 55.300 -0.044 0.000 1.089 267 M CB 0.078 32.650 32.600 -0.047 0.000 1.782 267 M HN 1.040 nan 8.290 nan 0.000 0.457 268 G N 3.208 111.990 108.800 -0.030 0.000 2.395 268 G HA2 -0.058 3.902 3.960 0.000 0.000 0.214 268 G HA3 -0.058 3.902 3.960 0.000 0.000 0.214 268 G C 0.226 175.116 174.900 -0.016 0.000 1.177 268 G CA 0.115 45.201 45.100 -0.023 0.000 0.794 268 G HN 0.621 nan 8.290 nan 0.000 0.532 269 D N 1.251 121.641 120.400 -0.017 0.000 2.277 269 D HA 0.336 4.976 4.640 0.000 0.000 0.249 269 D C -0.217 176.082 176.300 -0.001 0.000 1.134 269 D CA 0.238 54.234 54.000 -0.008 0.000 0.863 269 D CB 1.432 42.226 40.800 -0.009 0.000 1.143 269 D HN -0.050 nan 8.370 nan 0.000 0.458 270 T N 1.023 115.583 114.554 0.010 0.000 2.780 270 T HA 0.193 4.543 4.350 0.000 0.000 0.294 270 T C 0.686 175.413 174.700 0.046 0.000 0.949 270 T CA -0.704 61.411 62.100 0.024 0.000 1.074 270 T CB 1.082 69.967 68.868 0.029 0.000 0.910 270 T HN 0.028 nan 8.240 nan 0.000 0.501 271 V N 6.605 126.554 119.914 0.058 0.000 2.493 271 V HA 0.080 4.200 4.120 0.000 0.000 0.292 271 V C -1.735 174.468 176.094 0.181 0.000 1.016 271 V CA -1.329 61.031 62.300 0.099 0.000 1.097 271 V CB -0.496 31.360 31.823 0.055 0.000 0.947 271 V HN 0.747 nan 8.190 nan 0.000 0.479 272 P HA -0.024 nan 4.420 nan 0.000 0.261 272 P C 0.858 178.229 177.300 0.119 0.000 1.173 272 P CA 0.254 63.417 63.100 0.105 0.000 0.760 272 P CB 0.370 32.112 31.700 0.071 0.000 0.783 273 Q N 1.618 121.412 119.800 -0.010 0.000 2.368 273 Q HA -0.117 4.223 4.340 0.000 0.000 0.210 273 Q C 1.380 177.190 176.000 -0.317 0.000 0.982 273 Q CA 1.682 57.331 55.803 -0.258 0.000 0.884 273 Q CB -0.216 28.407 28.738 -0.191 0.000 0.933 273 Q HN 0.580 nan 8.270 nan 0.000 0.460 274 S N -1.079 114.547 115.700 -0.122 0.000 2.631 274 S HA 0.124 4.595 4.470 0.000 0.000 0.217 274 S C 1.343 175.921 174.600 -0.037 0.000 0.958 274 S CA -0.075 58.074 58.200 -0.086 0.000 0.920 274 S CB -0.029 63.148 63.200 -0.040 0.000 0.776 274 S HN 0.259 nan 8.310 nan 0.000 0.517 275 L N 0.624 121.853 121.223 0.010 0.000 2.808 275 L HA 0.462 4.802 4.340 0.000 0.000 0.246 275 L C -0.172 176.843 176.870 0.242 0.000 1.153 275 L CA -0.554 54.362 54.840 0.128 0.000 0.956 275 L CB -0.042 42.121 42.059 0.173 0.000 1.270 275 L HN 0.596 nan 8.230 nan 0.000 0.528 276 Y N -2.787 117.522 120.300 0.013 0.000 2.741 276 Y HA 0.618 5.168 4.550 0.000 0.000 0.339 276 Y C -1.357 174.551 175.900 0.013 0.000 1.226 276 Y CA -1.710 56.399 58.100 0.015 0.000 1.072 276 Y CB 0.782 39.255 38.460 0.021 0.000 1.331 276 Y HN -0.225 nan 8.280 nan 0.000 0.453 277 I N 2.478 123.136 120.570 0.147 0.000 2.441 277 I HA 0.401 4.571 4.170 0.000 0.000 0.295 277 I C -0.345 175.877 176.117 0.176 0.000 0.994 277 I CA -1.126 60.202 61.300 0.046 0.000 1.144 277 I CB 1.925 39.950 38.000 0.042 0.000 1.314 277 I HN 0.535 nan 8.210 nan 0.000 0.445 278 K N 2.831 123.287 120.400 0.093 0.000 2.258 278 K HA 0.452 4.772 4.320 0.000 0.000 0.264 278 K C 0.289 176.958 176.600 0.114 0.000 1.007 278 K CA -0.154 56.230 56.287 0.162 0.000 0.941 278 K CB 1.294 33.840 32.500 0.078 0.000 0.966 278 K HN 0.865 nan 8.250 nan 0.000 0.480 279 G N 0.009 108.875 108.800 0.109 0.000 3.119 279 G HA2 0.415 4.375 3.960 0.000 0.000 0.206 279 G HA3 0.415 4.375 3.960 0.000 0.000 0.206 279 G C -0.851 174.082 174.900 0.054 0.000 1.313 279 G CA -0.457 44.685 45.100 0.069 0.000 1.010 279 G HN 0.582 nan 8.290 nan 0.000 0.578 280 T N -3.081 111.497 114.554 0.041 0.000 2.912 280 T HA 0.682 5.032 4.350 0.000 0.000 0.288 280 T C 0.790 175.508 174.700 0.030 0.000 1.030 280 T CA 0.615 62.734 62.100 0.033 0.000 1.020 280 T CB 1.292 70.175 68.868 0.026 0.000 1.056 280 T HN 2.379 nan 8.240 nan 0.000 0.480 281 G N 2.625 111.441 108.800 0.026 0.000 2.528 281 G HA2 -0.319 3.641 3.960 0.000 0.000 0.262 281 G HA3 -0.319 3.641 3.960 0.000 0.000 0.262 281 G C 0.958 175.871 174.900 0.022 0.000 1.200 281 G CA 0.572 45.685 45.100 0.021 0.000 0.951 281 G HN 1.584 nan 8.290 nan 0.000 0.566 282 M N -0.430 119.181 119.600 0.018 0.000 2.426 282 M HA 0.095 4.576 4.480 0.000 0.000 0.261 282 M C 2.039 178.349 176.300 0.016 0.000 1.068 282 M CA 2.456 57.765 55.300 0.015 0.000 1.066 282 M CB -0.231 32.377 32.600 0.014 0.000 1.399 282 M HN 0.392 nan 8.290 nan 0.000 0.449 283 R N 0.305 120.819 120.500 0.024 0.000 2.317 283 R HA 0.291 4.631 4.340 0.000 0.000 0.208 283 R C 1.815 178.144 176.300 0.048 0.000 0.914 283 R CA 0.439 56.555 56.100 0.028 0.000 1.060 283 R CB 0.116 30.435 30.300 0.032 0.000 1.015 283 R HN 0.564 nan 8.270 nan 0.000 0.498 284 A N -0.397 122.453 122.820 0.050 0.000 2.081 284 A HA 0.081 4.402 4.320 0.000 0.000 0.214 284 A C 0.753 178.395 177.584 0.097 0.000 1.158 284 A CA 0.457 52.538 52.037 0.074 0.000 0.724 284 A CB 0.401 19.433 19.000 0.052 0.000 0.826 284 A HN 0.126 nan 8.150 nan 0.000 0.463 285 S N 0.845 116.579 115.700 0.056 0.000 2.557 285 S HA 0.550 5.020 4.470 0.000 0.000 0.291 285 S C -3.001 171.574 174.600 -0.042 0.000 1.116 285 S CA -1.574 56.651 58.200 0.041 0.000 0.992 285 S CB 1.331 64.551 63.200 0.034 0.000 1.028 285 S HN 0.202 nan 8.310 nan 0.000 0.484 286 P HA 0.198 nan 4.420 nan 0.000 0.266 286 P C 0.537 177.770 177.300 -0.112 0.000 1.195 286 P CA -0.047 62.922 63.100 -0.218 0.000 0.768 286 P CB 0.287 31.748 31.700 -0.399 0.000 0.838 287 G N 1.604 110.348 108.800 -0.093 0.000 2.504 287 G HA2 0.217 4.177 3.960 0.000 0.000 0.257 287 G HA3 0.217 4.177 3.960 0.000 0.000 0.257 287 G C -0.336 174.510 174.900 -0.091 0.000 1.451 287 G CA -0.445 44.616 45.100 -0.064 0.000 1.059 287 G HN 0.605 nan 8.290 nan 0.000 0.550 288 S N -1.883 113.757 115.700 -0.101 0.000 2.505 288 S HA 0.178 4.648 4.470 0.000 0.000 0.276 288 S C 0.432 174.844 174.600 -0.313 0.000 1.274 288 S CA -0.671 57.429 58.200 -0.167 0.000 1.053 288 S CB 0.204 63.316 63.200 -0.147 0.000 0.919 288 S HN 0.475 nan 8.310 nan 0.000 0.490 289 C N 5.162 124.262 119.300 -0.333 0.000 2.994 289 C HA 0.352 4.813 4.460 0.000 0.000 0.284 289 C C -0.017 174.674 174.990 -0.499 0.000 1.404 289 C CA -0.503 58.244 59.018 -0.451 0.000 1.775 289 C CB -1.008 26.666 27.740 -0.109 0.000 2.458 289 C HN 0.711 nan 8.230 nan 0.000 0.593 290 V N 2.273 121.905 119.914 -0.469 0.000 2.304 290 V HA 0.316 4.437 4.120 0.000 0.000 0.269 290 V C -0.596 175.313 176.094 -0.308 0.000 1.036 290 V CA -0.200 61.950 62.300 -0.249 0.000 0.840 290 V CB -0.384 31.356 31.823 -0.138 0.000 1.036 290 V HN 0.402 nan 8.190 nan 0.000 0.466 291 Y N 2.350 122.670 120.300 0.033 0.000 2.419 291 Y HA 0.718 5.268 4.550 0.000 0.000 0.328 291 Y C 0.640 176.578 175.900 0.064 0.000 1.162 291 Y CA -0.756 57.380 58.100 0.060 0.000 1.174 291 Y CB 2.037 40.505 38.460 0.013 0.000 1.228 291 Y HN 0.626 nan 8.280 nan 0.000 0.473 292 S N 1.870 117.735 115.700 0.275 0.000 2.592 292 S HA 0.529 5.000 4.470 0.000 0.000 0.275 292 S C -3.436 171.308 174.600 0.241 0.000 1.169 292 S CA -1.346 56.979 58.200 0.209 0.000 0.958 292 S CB 2.339 65.694 63.200 0.257 0.000 1.095 292 S HN 0.407 nan 8.310 nan 0.000 0.471 293 P HA 0.433 nan 4.420 nan 0.000 0.287 293 P C -0.393 176.876 177.300 -0.052 0.000 1.270 293 P CA -0.547 62.560 63.100 0.011 0.000 0.844 293 P CB 1.595 33.251 31.700 -0.074 0.000 1.068 294 S N 2.706 118.337 115.700 -0.115 0.000 2.481 294 S HA 0.333 4.803 4.470 0.000 0.000 0.276 294 S C -1.872 172.613 174.600 -0.192 0.000 1.247 294 S CA -1.097 57.068 58.200 -0.057 0.000 1.053 294 S CB -0.199 62.964 63.200 -0.061 0.000 0.925 294 S HN 0.340 nan 8.310 nan 0.000 0.491 295 P HA 0.316 nan 4.420 nan 0.000 0.275 295 P C -0.462 176.669 177.300 -0.281 0.000 1.266 295 P CA -0.520 62.419 63.100 -0.267 0.000 0.793 295 P CB 0.840 32.411 31.700 -0.216 0.000 1.074 296 S N -1.203 114.261 115.700 -0.394 0.000 2.582 296 S HA 0.488 4.958 4.470 0.000 0.000 0.296 296 S C -0.574 173.847 174.600 -0.299 0.000 1.118 296 S CA -0.626 57.328 58.200 -0.409 0.000 0.947 296 S CB -0.035 62.657 63.200 -0.847 0.000 1.131 296 S HN 0.670 nan 8.310 nan 0.000 0.453 297 G N 2.427 111.209 108.800 -0.030 0.000 2.395 297 G HA2 0.509 4.470 3.960 0.000 0.000 0.283 297 G HA3 0.509 4.470 3.960 0.000 0.000 0.283 297 G C 0.593 175.593 174.900 0.167 0.000 1.178 297 G CA 0.050 45.209 45.100 0.097 0.000 0.837 297 G HN 0.738 nan 8.290 nan 0.000 0.518 298 S N 1.121 116.990 115.700 0.281 0.000 2.282 298 S HA 0.284 4.754 4.470 0.000 0.000 0.184 298 S C 1.009 175.710 174.600 0.170 0.000 1.310 298 S CA -0.521 57.873 58.200 0.324 0.000 1.682 298 S CB -0.282 63.068 63.200 0.251 0.000 0.641 298 S HN 0.399 nan 8.310 nan 0.000 0.404 299 I N 1.401 122.039 120.570 0.115 0.000 2.634 299 I HA 0.257 4.427 4.170 0.000 0.000 0.284 299 I C -0.214 175.945 176.117 0.070 0.000 1.124 299 I CA -0.157 61.189 61.300 0.077 0.000 1.417 299 I CB 1.392 39.421 38.000 0.048 0.000 1.396 299 I HN 0.226 nan 8.210 nan 0.000 0.571 300 V N 6.061 126.011 119.914 0.061 0.000 2.417 300 V HA 0.625 4.745 4.120 0.000 0.000 0.291 300 V C -0.358 175.759 176.094 0.039 0.000 1.024 300 V CA 0.117 62.450 62.300 0.055 0.000 0.861 300 V CB 1.751 33.611 31.823 0.063 0.000 0.985 300 V HN 0.860 nan 8.190 nan 0.000 0.436 301 T N 2.833 117.406 114.554 0.031 0.000 2.896 301 T HA 0.399 4.749 4.350 0.000 0.000 0.297 301 T C 0.971 175.679 174.700 0.014 0.000 1.108 301 T CA 0.143 62.256 62.100 0.021 0.000 1.004 301 T CB 1.920 70.798 68.868 0.016 0.000 1.159 301 T HN 1.142 nan 8.240 nan 0.000 0.499 302 S N 1.679 117.386 115.700 0.011 0.000 2.522 302 S HA 0.004 4.474 4.470 0.000 0.000 0.227 302 S C 1.082 175.683 174.600 0.001 0.000 0.986 302 S CA 0.492 58.697 58.200 0.007 0.000 0.929 302 S CB -0.215 62.988 63.200 0.005 0.000 0.769 302 S HN 0.737 nan 8.310 nan 0.000 0.529 303 D N 2.713 123.113 120.400 0.001 0.000 2.144 303 D HA -0.045 4.595 4.640 0.000 0.000 0.200 303 D C 1.581 177.877 176.300 -0.006 0.000 0.978 303 D CA 1.575 55.574 54.000 -0.002 0.000 0.833 303 D CB -0.279 40.520 40.800 -0.001 0.000 0.961 303 D HN 0.671 nan 8.370 nan 0.000 0.470 304 S N -0.055 115.641 115.700 -0.007 0.000 2.573 304 S HA 0.147 4.617 4.470 0.000 0.000 0.244 304 S C 0.527 175.107 174.600 -0.034 0.000 0.984 304 S CA -0.578 57.612 58.200 -0.016 0.000 1.001 304 S CB 0.391 63.585 63.200 -0.009 0.000 0.788 304 S HN -0.099 nan 8.310 nan 0.000 0.456 305 Q N 1.088 120.870 119.800 -0.029 0.000 2.297 305 Q HA 0.406 4.746 4.340 0.000 0.000 0.267 305 Q C 0.585 176.532 176.000 -0.090 0.000 1.006 305 Q CA -0.292 55.483 55.803 -0.047 0.000 0.896 305 Q CB 0.909 29.642 28.738 -0.009 0.000 1.186 305 Q HN 0.340 nan 8.270 nan 0.000 0.392 306 L N 3.962 125.041 121.223 -0.240 0.000 2.202 306 L HA 0.258 4.598 4.340 0.000 0.000 0.205 306 L C 0.022 176.796 176.870 -0.161 0.000 1.083 306 L CA 1.070 55.713 54.840 -0.328 0.000 0.790 306 L CB -0.092 41.534 42.059 -0.721 0.000 0.942 306 L HN 0.663 nan 8.230 nan 0.000 0.452 307 F N -0.492 119.556 119.950 0.163 0.000 2.291 307 F HA 0.204 4.731 4.527 0.000 0.000 0.305 307 F C 1.339 177.134 175.800 -0.008 0.000 1.171 307 F CA -0.584 57.495 58.000 0.132 0.000 1.090 307 F CB -0.005 39.037 39.000 0.069 0.000 1.436 307 F HN -0.049 nan 8.300 nan 0.000 0.509 308 N N -0.099 118.704 118.700 0.171 0.000 2.747 308 N HA -0.213 4.527 4.740 0.000 0.000 0.249 308 N C -1.478 173.951 175.510 -0.134 0.000 1.107 308 N CA 0.496 53.535 53.050 -0.017 0.000 0.707 308 N CB -0.761 37.727 38.487 0.002 0.000 1.054 308 N HN 0.405 nan 8.380 nan 0.000 0.555 309 K N -0.184 120.037 120.400 -0.298 0.000 2.498 309 K HA 0.437 4.757 4.320 0.000 0.000 0.254 309 K C -2.807 173.229 176.600 -0.939 0.000 0.933 309 K CA -1.585 54.397 56.287 -0.509 0.000 0.806 309 K CB 2.861 35.051 32.500 -0.517 0.000 1.301 309 K HN -0.160 nan 8.250 nan 0.000 0.432 310 P HA 0.201 nan 4.420 nan 0.000 0.288 310 P C -1.517 175.078 177.300 -1.174 0.000 1.267 310 P CA -0.350 62.164 63.100 -0.977 0.000 0.815 310 P CB 0.480 31.695 31.700 -0.807 0.000 0.989 311 Y N 0.778 120.696 120.300 -0.636 0.000 2.391 311 Y HA 0.472 5.023 4.550 0.000 0.000 0.341 311 Y C -0.431 175.111 175.900 -0.597 0.000 0.965 311 Y CA -0.728 57.086 58.100 -0.477 0.000 1.067 311 Y CB 1.181 39.653 38.460 0.021 0.000 1.199 311 Y HN 0.347 nan 8.280 nan 0.000 0.450 312 W N 4.590 126.010 121.300 0.199 0.000 2.478 312 W HA 0.721 5.382 4.660 0.000 0.000 0.318 312 W C -0.987 175.657 176.519 0.209 0.000 1.062 312 W CA -1.161 56.255 57.345 0.120 0.000 1.210 312 W CB 1.114 30.643 29.460 0.116 0.000 1.325 312 W HN 0.383 nan 8.180 nan 0.000 0.496 313 L N 2.491 123.897 121.223 0.305 0.000 2.262 313 L HA 0.490 4.830 4.340 0.000 0.000 0.288 313 L C 1.029 178.045 176.870 0.242 0.000 1.035 313 L CA -0.764 54.236 54.840 0.266 0.000 0.820 313 L CB 0.684 42.779 42.059 0.060 0.000 1.204 313 L HN 0.624 nan 8.230 nan 0.000 0.424 314 H N 1.980 121.149 119.070 0.165 0.000 2.476 314 H HA 0.319 4.875 4.556 0.000 0.000 0.292 314 H C -0.354 175.032 175.328 0.097 0.000 1.019 314 H CA -0.179 55.947 56.048 0.130 0.000 1.330 314 H CB 0.339 30.177 29.762 0.127 0.000 1.451 314 H HN 0.566 nan 8.280 nan 0.000 0.535 315 K N 0.869 120.941 120.400 -0.546 0.000 2.731 315 K HA 0.546 4.866 4.320 0.000 0.000 0.257 315 K C -0.996 175.469 176.600 -0.225 0.000 1.032 315 K CA -0.174 55.932 56.287 -0.301 0.000 0.983 315 K CB 2.717 35.086 32.500 -0.219 0.000 1.248 315 K HN 0.353 nan 8.250 nan 0.000 0.484 316 A N 1.681 124.455 122.820 -0.077 0.000 2.448 316 A HA 0.025 4.345 4.320 0.000 0.000 0.239 316 A C 1.255 178.861 177.584 0.036 0.000 1.080 316 A CA 0.198 52.255 52.037 0.035 0.000 0.779 316 A CB 0.372 19.420 19.000 0.081 0.000 1.026 316 A HN 0.844 nan 8.150 nan 0.000 0.499 317 Q N 1.192 121.040 119.800 0.081 0.000 2.137 317 Q HA 0.215 4.555 4.340 0.000 0.000 0.198 317 Q C 0.984 176.991 176.000 0.011 0.000 0.960 317 Q CA 1.306 57.134 55.803 0.041 0.000 0.847 317 Q CB -0.693 28.080 28.738 0.057 0.000 0.915 317 Q HN 0.787 nan 8.270 nan 0.000 0.448 318 G N -0.778 108.059 108.800 0.063 0.000 2.510 318 G HA2 0.188 4.148 3.960 0.000 0.000 0.280 318 G HA3 0.188 4.148 3.960 0.000 0.000 0.280 318 G C -0.368 174.532 174.900 -0.000 0.000 1.386 318 G CA -0.166 44.950 45.100 0.027 0.000 1.047 318 G HN 0.424 nan 8.290 nan 0.000 0.527 319 H N -1.105 118.076 119.070 0.185 0.000 2.502 319 H HA 0.053 4.609 4.556 0.000 0.000 0.283 319 H C 0.855 176.334 175.328 0.251 0.000 1.015 319 H CA 0.399 56.570 56.048 0.206 0.000 1.298 319 H CB 0.355 30.253 29.762 0.228 0.000 1.411 319 H HN 0.243 nan 8.280 nan 0.000 0.556 320 N N 1.361 120.306 118.700 0.410 0.000 2.419 320 N HA -0.059 4.682 4.740 0.000 0.000 0.264 320 N C -0.820 174.822 175.510 0.221 0.000 1.031 320 N CA -0.022 53.253 53.050 0.375 0.000 0.951 320 N CB 0.424 39.221 38.487 0.517 0.000 1.101 320 N HN 0.180 nan 8.380 nan 0.000 0.488 321 N N 2.911 121.642 118.700 0.051 0.000 3.271 321 N HA 0.170 4.910 4.740 0.000 0.000 0.303 321 N C 0.483 175.801 175.510 -0.319 0.000 1.415 321 N CA 0.282 53.285 53.050 -0.079 0.000 1.159 321 N CB -0.597 37.867 38.487 -0.037 0.000 1.432 321 N HN 0.833 nan 8.380 nan 0.000 0.521 322 G N 0.283 108.627 108.800 -0.761 0.000 2.153 322 G HA2 -0.258 3.702 3.960 0.000 0.000 0.252 322 G HA3 -0.258 3.702 3.960 0.000 0.000 0.252 322 G C 0.021 174.611 174.900 -0.517 0.000 0.994 322 G CA 0.330 44.680 45.100 -1.251 0.000 0.698 322 G HN 0.338 nan 8.290 nan 0.000 0.521 323 V N 0.855 120.565 119.914 -0.339 0.000 2.439 323 V HA 0.227 4.347 4.120 0.000 0.000 0.271 323 V C 1.226 177.109 176.094 -0.351 0.000 1.040 323 V CA -0.027 62.021 62.300 -0.420 0.000 1.002 323 V CB 0.989 32.390 31.823 -0.704 0.000 1.000 323 V HN 0.457 nan 8.190 nan 0.000 0.477 324 C N 5.615 124.801 119.300 -0.190 0.000 2.298 324 C HA 0.273 4.733 4.460 0.000 0.000 0.451 324 C C 0.443 175.465 174.990 0.054 0.000 1.028 324 C CA -1.490 57.539 59.018 0.020 0.000 1.324 324 C CB -2.036 25.754 27.740 0.084 0.000 1.534 324 C HN 0.853 nan 8.230 nan 0.000 0.528 325 W N 1.443 122.890 121.300 0.245 0.000 2.231 325 W HA 0.213 4.873 4.660 0.000 0.000 0.341 325 W C 1.231 177.942 176.519 0.320 0.000 1.298 325 W CA 0.426 57.922 57.345 0.253 0.000 1.266 325 W CB -0.124 29.497 29.460 0.268 0.000 1.172 325 W HN 0.764 nan 8.180 nan 0.000 0.568 326 H N 0.285 119.537 119.070 0.302 0.000 3.211 326 H HA -0.265 4.291 4.556 0.000 0.000 0.240 326 H C 0.500 175.888 175.328 0.100 0.000 1.148 326 H CA 1.124 57.265 56.048 0.154 0.000 1.160 326 H CB -1.971 27.874 29.762 0.138 0.000 1.232 326 H HN 0.569 nan 8.280 nan 0.000 0.321 327 N N -0.475 118.343 118.700 0.196 0.000 2.727 327 N HA -0.225 4.515 4.740 0.000 0.000 0.249 327 N C -0.104 175.400 175.510 -0.011 0.000 1.048 327 N CA 1.429 54.522 53.050 0.072 0.000 0.714 327 N CB -0.782 37.727 38.487 0.037 0.000 0.959 327 N HN 0.725 nan 8.380 nan 0.000 0.544 328 Q N -0.315 119.508 119.800 0.037 0.000 2.378 328 Q HA 0.832 5.172 4.340 0.000 0.000 0.276 328 Q C -0.631 175.336 176.000 -0.056 0.000 1.083 328 Q CA -0.838 54.928 55.803 -0.061 0.000 0.856 328 Q CB 2.428 31.161 28.738 -0.008 0.000 1.383 328 Q HN 0.338 nan 8.270 nan 0.000 0.458 329 L N 1.139 122.241 121.223 -0.202 0.000 2.847 329 L HA 0.400 4.740 4.340 0.000 0.000 0.261 329 L C -1.964 174.787 176.870 -0.199 0.000 0.926 329 L CA -0.369 54.444 54.840 -0.045 0.000 1.010 329 L CB 0.986 43.032 42.059 -0.022 0.000 1.538 329 L HN 0.500 nan 8.230 nan 0.000 0.465 330 F N 4.560 124.455 119.950 -0.093 0.000 2.420 330 F HA 0.583 5.110 4.527 0.000 0.000 0.342 330 F C 0.169 175.963 175.800 -0.010 0.000 1.113 330 F CA -0.715 57.206 58.000 -0.131 0.000 1.059 330 F CB 1.887 40.722 39.000 -0.275 0.000 1.128 330 F HN 0.043 nan 8.300 nan 0.000 0.475 331 V N 3.151 123.197 119.914 0.220 0.000 2.311 331 V HA 0.322 4.443 4.120 0.000 0.000 0.275 331 V C -0.252 175.997 176.094 0.259 0.000 1.022 331 V CA -0.543 61.912 62.300 0.259 0.000 0.830 331 V CB 1.133 33.124 31.823 0.280 0.000 1.012 331 V HN 0.802 nan 8.190 nan 0.000 0.452 332 T N 4.746 119.423 114.554 0.205 0.000 2.795 332 T HA 0.688 5.039 4.350 0.000 0.000 0.282 332 T C -0.312 174.527 174.700 0.231 0.000 0.980 332 T CA -0.396 61.820 62.100 0.194 0.000 1.012 332 T CB 1.767 70.727 68.868 0.154 0.000 0.936 332 T HN 0.313 nan 8.240 nan 0.000 0.457 333 V N 3.275 123.320 119.914 0.218 0.000 2.925 333 V HA 0.663 4.783 4.120 0.000 0.000 0.311 333 V C -0.939 175.273 176.094 0.197 0.000 1.104 333 V CA -0.710 61.726 62.300 0.228 0.000 0.954 333 V CB 2.530 34.465 31.823 0.187 0.000 1.022 333 V HN 0.719 nan 8.190 nan 0.000 0.427 334 V N 3.029 123.082 119.914 0.232 0.000 2.612 334 V HA 0.575 4.695 4.120 0.000 0.000 0.301 334 V C -1.520 174.733 176.094 0.266 0.000 1.059 334 V CA -0.425 61.949 62.300 0.123 0.000 0.886 334 V CB 1.981 33.768 31.823 -0.060 0.000 1.007 334 V HN 0.998 nan 8.190 nan 0.000 0.426 335 D N 2.606 123.144 120.400 0.229 0.000 2.736 335 D HA 0.434 5.074 4.640 0.000 0.000 0.243 335 D C 0.514 176.877 176.300 0.103 0.000 1.304 335 D CA 0.153 54.323 54.000 0.283 0.000 0.934 335 D CB 2.260 43.314 40.800 0.423 0.000 1.382 335 D HN 0.577 nan 8.370 nan 0.000 0.571 336 T N -0.543 114.036 114.554 0.042 0.000 3.085 336 T HA 0.059 4.409 4.350 0.000 0.000 0.264 336 T C 1.509 176.198 174.700 -0.019 0.000 1.019 336 T CA 0.537 62.570 62.100 -0.113 0.000 0.910 336 T CB -0.095 68.669 68.868 -0.173 0.000 1.059 336 T HN 0.344 nan 8.240 nan 0.000 0.542 337 T N 0.308 114.894 114.554 0.055 0.000 3.113 337 T HA 0.122 4.473 4.350 0.000 0.000 0.263 337 T C 0.864 175.597 174.700 0.054 0.000 1.143 337 T CA -0.032 62.106 62.100 0.062 0.000 1.090 337 T CB -0.394 68.518 68.868 0.074 0.000 0.922 337 T HN 0.430 nan 8.240 nan 0.000 0.521 338 R N 1.589 122.119 120.500 0.048 0.000 2.443 338 R HA 0.381 4.721 4.340 0.000 0.000 0.287 338 R C 0.034 176.396 176.300 0.103 0.000 1.425 338 R CA -0.067 56.069 56.100 0.060 0.000 1.300 338 R CB 1.095 31.418 30.300 0.038 0.000 1.129 338 R HN 0.379 nan 8.270 nan 0.000 0.577 339 S N -1.063 114.676 115.700 0.065 0.000 2.809 339 S HA 0.036 4.506 4.470 0.000 0.000 0.248 339 S C 0.350 174.962 174.600 0.019 0.000 1.071 339 S CA -0.677 57.532 58.200 0.015 0.000 1.059 339 S CB 0.363 63.489 63.200 -0.124 0.000 0.923 339 S HN 0.335 nan 8.310 nan 0.000 0.516 340 T N 1.695 116.309 114.554 0.100 0.000 2.834 340 T HA 0.292 4.642 4.350 0.000 0.000 0.298 340 T C -0.246 174.525 174.700 0.117 0.000 0.966 340 T CA -0.386 61.764 62.100 0.083 0.000 1.141 340 T CB -0.059 68.855 68.868 0.077 0.000 0.905 340 T HN 0.449 nan 8.240 nan 0.000 0.535 341 N N 2.688 121.423 118.700 0.058 0.000 2.437 341 N HA 0.353 5.093 4.740 0.000 0.000 0.259 341 N C -0.219 175.318 175.510 0.045 0.000 0.983 341 N CA -0.705 52.379 53.050 0.056 0.000 0.937 341 N CB 0.931 39.402 38.487 -0.027 0.000 1.122 341 N HN 0.502 nan 8.380 nan 0.000 0.499 342 L N 1.658 122.915 121.223 0.056 0.000 2.461 342 L HA 0.201 4.541 4.340 0.000 0.000 0.272 342 L C 0.497 177.382 176.870 0.024 0.000 1.197 342 L CA 0.153 55.015 54.840 0.036 0.000 0.836 342 L CB 0.366 42.444 42.059 0.031 0.000 1.105 342 L HN 0.432 nan 8.230 nan 0.000 0.477 343 T N 3.854 118.426 114.554 0.029 0.000 2.792 343 T HA 0.592 4.942 4.350 0.000 0.000 0.280 343 T C -0.223 174.511 174.700 0.057 0.000 0.990 343 T CA -0.278 61.846 62.100 0.039 0.000 0.960 343 T CB 1.029 69.917 68.868 0.033 0.000 0.939 343 T HN 0.282 nan 8.240 nan 0.000 0.439 344 I N 3.639 124.265 120.570 0.093 0.000 2.406 344 I HA 0.508 4.678 4.170 0.000 0.000 0.290 344 I C -0.024 176.208 176.117 0.192 0.000 0.999 344 I CA -0.790 60.570 61.300 0.101 0.000 1.124 344 I CB 1.266 39.293 38.000 0.044 0.000 1.289 344 I HN 0.754 nan 8.210 nan 0.000 0.441 345 C N 4.303 123.707 119.300 0.172 0.000 2.431 345 C HA 0.942 5.402 4.460 0.000 0.000 0.321 345 C C 0.008 175.144 174.990 0.244 0.000 1.202 345 C CA -0.540 58.635 59.018 0.260 0.000 1.398 345 C CB 0.486 28.371 27.740 0.242 0.000 2.047 345 C HN 0.840 nan 8.230 nan 0.000 0.465 346 A N 3.361 126.332 122.820 0.252 0.000 2.325 346 A HA 0.909 5.229 4.320 0.000 0.000 0.333 346 A C 0.324 177.977 177.584 0.115 0.000 1.155 346 A CA 0.078 52.204 52.037 0.148 0.000 0.814 346 A CB 0.952 19.990 19.000 0.063 0.000 1.206 346 A HN 1.924 nan 8.150 nan 0.000 0.482 347 S N 0.467 116.122 115.700 -0.076 0.000 2.693 347 S HA 0.452 4.922 4.470 0.000 0.000 0.276 347 S C 0.724 175.191 174.600 -0.223 0.000 1.192 347 S CA 0.310 58.278 58.200 -0.388 0.000 0.994 347 S CB 1.062 63.794 63.200 -0.780 0.000 1.012 347 S HN 0.595 nan 8.310 nan 0.000 0.550 348 T N 0.844 115.243 114.554 -0.258 0.000 2.894 348 T HA 0.087 4.437 4.350 0.000 0.000 0.258 348 T C 0.442 175.063 174.700 -0.131 0.000 1.043 348 T CA 0.780 62.797 62.100 -0.139 0.000 1.141 348 T CB -0.212 68.584 68.868 -0.120 0.000 0.873 348 T HN 0.538 nan 8.240 nan 0.000 0.449 349 Q N 1.208 120.903 119.800 -0.176 0.000 2.340 349 Q HA 0.306 4.647 4.340 0.000 0.000 0.249 349 Q C 1.354 177.284 176.000 -0.116 0.000 0.957 349 Q CA -0.036 55.690 55.803 -0.129 0.000 0.882 349 Q CB 1.189 29.845 28.738 -0.137 0.000 1.235 349 Q HN 0.171 nan 8.270 nan 0.000 0.439 350 S N 2.042 117.697 115.700 -0.075 0.000 2.357 350 S HA -0.042 4.428 4.470 0.000 0.000 0.221 350 S C -0.807 173.764 174.600 -0.047 0.000 1.031 350 S CA 0.754 58.921 58.200 -0.055 0.000 0.982 350 S CB -0.645 62.533 63.200 -0.037 0.000 0.853 350 S HN 0.501 nan 8.310 nan 0.000 0.458 351 P HA 0.175 nan 4.420 nan 0.000 0.223 351 P C -0.240 177.044 177.300 -0.027 0.000 1.151 351 P CA 0.537 63.622 63.100 -0.026 0.000 0.787 351 P CB -0.091 31.597 31.700 -0.019 0.000 0.788 352 V N -1.450 118.428 119.914 -0.059 0.000 5.357 352 V HA -0.112 4.009 4.120 0.000 0.000 0.346 352 V C -2.127 173.967 176.094 0.000 0.000 0.613 352 V CA -0.964 61.298 62.300 -0.063 0.000 1.319 352 V CB -2.544 29.274 31.823 -0.009 0.000 1.571 352 V HN 0.242 nan 8.190 nan 0.000 0.485 353 P HA 0.179 nan 4.420 nan 0.000 0.269 353 P C 1.270 178.615 177.300 0.074 0.000 1.211 353 P CA 0.795 63.910 63.100 0.025 0.000 0.781 353 P CB 0.803 32.510 31.700 0.011 0.000 0.877 354 G N 0.300 109.139 108.800 0.066 0.000 2.848 354 G HA2 -0.092 3.868 3.960 0.000 0.000 0.208 354 G HA3 -0.092 3.868 3.960 0.000 0.000 0.208 354 G C 0.605 175.564 174.900 0.098 0.000 1.152 354 G CA 0.262 45.410 45.100 0.080 0.000 0.789 354 G HN 0.502 nan 8.290 nan 0.000 0.531 355 Q N -0.009 119.852 119.800 0.101 0.000 2.347 355 Q HA 0.413 4.754 4.340 0.000 0.000 0.262 355 Q C -1.120 174.984 176.000 0.173 0.000 0.980 355 Q CA -1.039 54.834 55.803 0.117 0.000 0.867 355 Q CB 0.718 29.500 28.738 0.072 0.000 1.242 355 Q HN 0.311 nan 8.270 nan 0.000 0.453 356 Y N 3.194 123.551 120.300 0.095 0.000 2.544 356 Y HA 0.214 4.764 4.550 0.000 0.000 0.330 356 Y C -0.725 175.252 175.900 0.129 0.000 1.136 356 Y CA 0.592 58.764 58.100 0.121 0.000 1.417 356 Y CB 0.647 39.126 38.460 0.032 0.000 1.229 356 Y HN 0.574 nan 8.280 nan 0.000 0.532 357 D N 5.352 125.434 120.400 -0.530 0.000 2.386 357 D HA 0.344 4.984 4.640 0.000 0.000 0.247 357 D C 0.538 176.582 176.300 -0.426 0.000 1.336 357 D CA 0.257 54.013 54.000 -0.408 0.000 0.976 357 D CB 1.106 41.841 40.800 -0.108 0.000 1.257 357 D HN 0.762 nan 8.370 nan 0.000 0.570 358 A N 2.721 125.192 122.820 -0.581 0.000 1.893 358 A HA -0.330 3.990 4.320 0.000 0.000 0.222 358 A C 2.086 179.678 177.584 0.012 0.000 1.309 358 A CA 3.301 55.206 52.037 -0.219 0.000 0.681 358 A CB -1.550 17.430 19.000 -0.034 0.000 0.842 358 A HN 0.721 nan 8.150 nan 0.000 0.468 359 T N -2.600 111.953 114.554 -0.001 0.000 2.897 359 T HA -0.147 4.203 4.350 0.000 0.000 0.271 359 T C 1.449 176.172 174.700 0.039 0.000 1.084 359 T CA 1.757 63.871 62.100 0.023 0.000 1.123 359 T CB -0.284 68.584 68.868 -0.001 0.000 0.865 359 T HN 0.502 nan 8.240 nan 0.000 0.496 360 K N 0.088 120.518 120.400 0.049 0.000 2.546 360 K HA 0.203 4.524 4.320 0.000 0.000 0.198 360 K C -1.053 175.399 176.600 -0.247 0.000 1.028 360 K CA -0.127 56.116 56.287 -0.074 0.000 1.150 360 K CB -0.074 32.351 32.500 -0.124 0.000 0.876 360 K HN 0.397 nan 8.250 nan 0.000 0.508 361 F N 0.132 120.054 119.950 -0.047 0.000 2.581 361 F HA 0.367 4.895 4.527 0.000 0.000 0.311 361 F C -0.397 175.417 175.800 0.023 0.000 1.113 361 F CA -0.976 57.027 58.000 0.006 0.000 0.935 361 F CB 1.620 40.631 39.000 0.018 0.000 1.232 361 F HN -0.396 nan 8.300 nan 0.000 0.445 362 K N 2.079 122.632 120.400 0.255 0.000 2.240 362 K HA 0.395 4.715 4.320 0.000 0.000 0.271 362 K C -0.815 175.914 176.600 0.215 0.000 1.018 362 K CA -0.883 55.507 56.287 0.172 0.000 0.874 362 K CB 1.646 34.271 32.500 0.208 0.000 1.098 362 K HN 0.521 nan 8.250 nan 0.000 0.458 363 Q N 2.456 122.266 119.800 0.017 0.000 2.274 363 Q HA 0.256 4.596 4.340 0.000 0.000 0.256 363 Q C -1.538 174.366 176.000 -0.160 0.000 0.927 363 Q CA 0.022 55.844 55.803 0.031 0.000 0.939 363 Q CB 0.571 29.311 28.738 0.004 0.000 1.201 363 Q HN 0.341 nan 8.270 nan 0.000 0.426 364 Y N 0.145 120.454 120.300 0.015 0.000 2.562 364 Y HA 0.613 5.163 4.550 0.000 0.000 0.343 364 Y C -0.172 175.695 175.900 -0.054 0.000 1.025 364 Y CA -1.017 57.074 58.100 -0.016 0.000 1.082 364 Y CB 2.429 40.885 38.460 -0.007 0.000 1.264 364 Y HN 0.446 nan 8.280 nan 0.000 0.478 365 S N 2.492 118.213 115.700 0.034 0.000 2.659 365 S HA 0.668 5.138 4.470 0.000 0.000 0.312 365 S C -1.221 173.312 174.600 -0.111 0.000 1.114 365 S CA -0.716 57.428 58.200 -0.093 0.000 1.063 365 S CB 0.144 63.181 63.200 -0.271 0.000 0.996 365 S HN 0.506 nan 8.310 nan 0.000 0.478 366 R N 3.046 123.518 120.500 -0.047 0.000 2.621 366 R HA 0.411 4.752 4.340 0.000 0.000 0.292 366 R C -0.812 175.514 176.300 0.043 0.000 0.969 366 R CA -0.589 55.498 56.100 -0.022 0.000 0.887 366 R CB 1.254 31.553 30.300 -0.002 0.000 1.180 366 R HN 0.832 nan 8.270 nan 0.000 0.450 367 H N 1.095 120.125 119.070 -0.066 0.000 2.573 367 H HA 0.635 5.192 4.556 0.000 0.000 0.351 367 H C -0.892 174.440 175.328 0.006 0.000 1.163 367 H CA -0.861 55.171 56.048 -0.026 0.000 1.205 367 H CB 1.899 31.651 29.762 -0.016 0.000 1.605 367 H HN 0.169 nan 8.280 nan 0.000 0.525 368 V N 2.566 122.161 119.914 -0.531 0.000 2.960 368 V HA 0.303 4.423 4.120 0.000 0.000 0.315 368 V C -0.746 175.057 176.094 -0.485 0.000 1.087 368 V CA -0.703 61.383 62.300 -0.357 0.000 0.982 368 V CB 2.046 33.764 31.823 -0.175 0.000 1.039 368 V HN 0.771 nan 8.190 nan 0.000 0.437 369 E N 1.373 121.482 120.200 -0.151 0.000 2.321 369 E HA 0.462 4.813 4.350 0.000 0.000 0.281 369 E C -1.359 175.311 176.600 0.116 0.000 0.910 369 E CA -0.413 55.981 56.400 -0.009 0.000 0.770 369 E CB 1.896 31.715 29.700 0.198 0.000 1.225 369 E HN 0.754 nan 8.360 nan 0.000 0.417 370 E N 4.234 124.430 120.200 -0.006 0.000 2.373 370 E HA 0.288 4.638 4.350 0.000 0.000 0.251 370 E C -1.338 175.169 176.600 -0.155 0.000 0.923 370 E CA -0.466 55.942 56.400 0.013 0.000 0.798 370 E CB 0.544 30.223 29.700 -0.034 0.000 1.303 370 E HN 0.395 nan 8.360 nan 0.000 0.412 371 Y N 1.514 121.787 120.300 -0.046 0.000 2.596 371 Y HA 0.497 5.047 4.550 0.000 0.000 0.326 371 Y C 0.130 175.906 175.900 -0.207 0.000 1.167 371 Y CA -0.751 57.246 58.100 -0.173 0.000 1.246 371 Y CB 1.414 39.700 38.460 -0.290 0.000 1.347 371 Y HN 0.426 nan 8.280 nan 0.000 0.515 372 D N 0.946 121.279 120.400 -0.111 0.000 2.931 372 D HA 0.291 4.932 4.640 0.000 0.000 0.215 372 D C -2.016 174.125 176.300 -0.266 0.000 1.297 372 D CA -0.249 53.658 54.000 -0.156 0.000 0.892 372 D CB 1.154 41.892 40.800 -0.103 0.000 1.642 372 D HN 0.546 nan 8.370 nan 0.000 0.560 373 L N 2.218 123.246 121.223 -0.326 0.000 2.329 373 L HA 0.537 4.877 4.340 0.000 0.000 0.279 373 L C 0.093 176.671 176.870 -0.487 0.000 1.014 373 L CA -0.709 53.849 54.840 -0.471 0.000 0.814 373 L CB 1.980 43.788 42.059 -0.419 0.000 1.257 373 L HN 0.321 nan 8.230 nan 0.000 0.424 374 Q N 2.495 121.822 119.800 -0.787 0.000 2.359 374 Q HA 0.701 5.041 4.340 0.000 0.000 0.274 374 Q C -1.699 173.664 176.000 -1.062 0.000 1.074 374 Q CA -0.603 54.782 55.803 -0.695 0.000 0.810 374 Q CB 3.156 31.635 28.738 -0.432 0.000 1.342 374 Q HN 0.360 nan 8.270 nan 0.000 0.427 375 F N 0.537 120.051 119.950 -0.727 0.000 2.643 375 F HA 0.570 5.097 4.527 0.000 0.000 0.314 375 F C -0.712 174.527 175.800 -0.935 0.000 1.096 375 F CA -1.007 56.488 58.000 -0.841 0.000 0.953 375 F CB 1.341 39.650 39.000 -1.152 0.000 1.345 375 F HN 0.264 nan 8.300 nan 0.000 0.468 376 I N 2.195 122.367 120.570 -0.664 0.000 2.447 376 I HA 0.381 4.551 4.170 0.000 0.000 0.287 376 I C -1.031 174.719 176.117 -0.611 0.000 1.023 376 I CA -0.890 60.056 61.300 -0.589 0.000 1.083 376 I CB 1.257 38.915 38.000 -0.570 0.000 1.245 376 I HN 0.414 nan 8.210 nan 0.000 0.434 377 F N 3.845 123.644 119.950 -0.253 0.000 2.507 377 F HA 0.518 5.046 4.527 0.000 0.000 0.327 377 F C 0.485 176.381 175.800 0.161 0.000 1.068 377 F CA -0.729 57.194 58.000 -0.129 0.000 0.965 377 F CB 1.656 40.412 39.000 -0.408 0.000 1.192 377 F HN 0.359 nan 8.300 nan 0.000 0.476 378 Q N 2.407 122.483 119.800 0.459 0.000 2.331 378 Q HA 0.474 4.814 4.340 0.000 0.000 0.267 378 Q C -1.490 174.729 176.000 0.365 0.000 1.006 378 Q CA -1.143 54.823 55.803 0.272 0.000 0.818 378 Q CB 1.969 30.775 28.738 0.114 0.000 1.276 378 Q HN 0.715 nan 8.270 nan 0.000 0.450 379 L N 3.926 125.336 121.223 0.313 0.000 2.410 379 L HA 0.302 4.642 4.340 0.000 0.000 0.273 379 L C -1.316 175.483 176.870 -0.118 0.000 1.144 379 L CA 0.434 55.294 54.840 0.033 0.000 0.863 379 L CB 0.500 42.561 42.059 0.003 0.000 1.140 379 L HN 0.814 nan 8.230 nan 0.000 0.463 380 C N 2.264 121.440 119.300 -0.206 0.000 2.889 380 C HA 0.855 5.315 4.460 0.000 0.000 0.307 380 C C 0.020 174.879 174.990 -0.219 0.000 1.251 380 C CA -0.487 58.428 59.018 -0.172 0.000 1.593 380 C CB 2.041 29.698 27.740 -0.138 0.000 2.104 380 C HN 0.889 nan 8.230 nan 0.000 0.476 381 T N -0.487 113.982 114.554 -0.142 0.000 2.876 381 T HA 0.788 5.139 4.350 0.000 0.000 0.289 381 T C -1.061 173.616 174.700 -0.037 0.000 1.014 381 T CA -0.417 61.610 62.100 -0.122 0.000 0.986 381 T CB 0.859 69.687 68.868 -0.068 0.000 1.021 381 T HN 0.503 nan 8.240 nan 0.000 0.458 382 I N 2.658 123.216 120.570 -0.020 0.000 2.410 382 I HA 0.269 4.439 4.170 0.000 0.000 0.286 382 I C 0.087 176.239 176.117 0.058 0.000 1.009 382 I CA -0.808 60.546 61.300 0.091 0.000 1.111 382 I CB 1.990 40.120 38.000 0.216 0.000 1.262 382 I HN 0.693 nan 8.210 nan 0.000 0.443 383 T N 7.350 121.952 114.554 0.081 0.000 2.738 383 T HA 0.299 4.650 4.350 0.000 0.000 0.293 383 T C 0.336 175.082 174.700 0.077 0.000 0.913 383 T CA -0.273 61.861 62.100 0.058 0.000 1.103 383 T CB 0.085 68.984 68.868 0.051 0.000 0.880 383 T HN 0.299 nan 8.240 nan 0.000 0.526 384 L N 5.397 126.656 121.223 0.059 0.000 2.433 384 L HA 0.231 4.571 4.340 0.000 0.000 0.284 384 L C 1.421 178.328 176.870 0.061 0.000 1.120 384 L CA -0.432 54.459 54.840 0.086 0.000 0.879 384 L CB -0.444 41.662 42.059 0.078 0.000 1.232 384 L HN 0.763 nan 8.230 nan 0.000 0.454 385 T N -0.801 113.789 114.554 0.061 0.000 2.889 385 T HA 0.576 4.926 4.350 0.000 0.000 0.278 385 T C 1.195 175.917 174.700 0.037 0.000 0.995 385 T CA -0.058 62.066 62.100 0.040 0.000 0.966 385 T CB 1.715 70.603 68.868 0.033 0.000 1.237 385 T HN 0.378 nan 8.240 nan 0.000 0.591 386 A N 1.269 124.104 122.820 0.026 0.000 1.841 386 A HA -0.127 4.193 4.320 0.000 0.000 0.216 386 A C 1.917 179.515 177.584 0.023 0.000 1.199 386 A CA 2.411 54.461 52.037 0.022 0.000 0.621 386 A CB -1.665 17.345 19.000 0.016 0.000 0.835 386 A HN 1.010 nan 8.150 nan 0.000 0.445 387 D N -0.154 120.257 120.400 0.018 0.000 2.123 387 D HA -0.124 4.516 4.640 0.000 0.000 0.196 387 D C 1.526 177.837 176.300 0.018 0.000 0.992 387 D CA 1.436 55.446 54.000 0.016 0.000 0.833 387 D CB -0.966 39.836 40.800 0.004 0.000 0.954 387 D HN 0.202 nan 8.370 nan 0.000 0.455 388 V N 0.107 120.026 119.914 0.008 0.000 2.392 388 V HA -0.263 3.857 4.120 0.000 0.000 0.249 388 V C 2.568 178.693 176.094 0.052 0.000 1.059 388 V CA 1.828 64.127 62.300 -0.003 0.000 1.051 388 V CB -0.539 31.315 31.823 0.052 0.000 0.658 388 V HN 0.242 nan 8.190 nan 0.000 0.455 389 M N 0.338 119.974 119.600 0.061 0.000 2.193 389 M HA -0.109 4.372 4.480 0.000 0.000 0.265 389 M C 2.472 178.785 176.300 0.022 0.000 1.071 389 M CA 1.832 57.168 55.300 0.060 0.000 1.140 389 M CB -0.269 32.367 32.600 0.060 0.000 1.369 389 M HN 0.557 nan 8.290 nan 0.000 0.423 390 S N -0.487 115.227 115.700 0.024 0.000 2.419 390 S HA -0.206 4.264 4.470 0.000 0.000 0.233 390 S C 1.754 176.355 174.600 0.002 0.000 1.016 390 S CA 0.977 59.180 58.200 0.004 0.000 0.974 390 S CB -0.834 62.374 63.200 0.013 0.000 0.786 390 S HN 0.592 nan 8.310 nan 0.000 0.492 391 Y N 2.091 122.328 120.300 -0.105 0.000 2.176 391 Y HA 0.213 4.763 4.550 0.000 0.000 0.291 391 Y C 2.010 177.805 175.900 -0.175 0.000 1.122 391 Y CA 1.156 59.171 58.100 -0.141 0.000 1.128 391 Y CB -0.318 38.005 38.460 -0.228 0.000 1.005 391 Y HN 0.184 nan 8.280 nan 0.000 0.509 392 I N 0.630 121.178 120.570 -0.036 0.000 2.700 392 I HA -0.257 3.914 4.170 0.000 0.000 0.261 392 I C 2.130 178.081 176.117 -0.275 0.000 1.219 392 I CA 1.407 62.586 61.300 -0.203 0.000 1.463 392 I CB -0.317 37.617 38.000 -0.111 0.000 1.092 392 I HN 0.387 nan 8.210 nan 0.000 0.452 393 Q N 0.902 120.590 119.800 -0.188 0.000 2.062 393 Q HA -0.113 4.227 4.340 0.000 0.000 0.196 393 Q C 2.275 178.152 176.000 -0.205 0.000 0.967 393 Q CA 1.952 57.650 55.803 -0.174 0.000 0.832 393 Q CB 0.026 28.701 28.738 -0.104 0.000 0.899 393 Q HN 0.334 nan 8.270 nan 0.000 0.442 394 S N 0.620 116.193 115.700 -0.211 0.000 2.353 394 S HA -0.245 4.225 4.470 0.000 0.000 0.222 394 S C 1.836 176.267 174.600 -0.283 0.000 1.035 394 S CA 1.550 59.627 58.200 -0.205 0.000 1.025 394 S CB -0.562 62.529 63.200 -0.183 0.000 0.902 394 S HN 0.548 nan 8.310 nan 0.000 0.440 395 M N 1.379 120.702 119.600 -0.461 0.000 2.163 395 M HA -0.175 4.306 4.480 0.000 0.000 0.258 395 M C 0.481 176.422 176.300 -0.598 0.000 1.071 395 M CA 1.782 56.644 55.300 -0.730 0.000 1.093 395 M CB -0.091 31.998 32.600 -0.853 0.000 1.285 395 M HN 0.358 nan 8.290 nan 0.000 0.420 396 N N -0.638 117.776 118.700 -0.476 0.000 2.875 396 N HA 0.085 4.825 4.740 0.000 0.000 0.253 396 N C 0.300 175.629 175.510 -0.302 0.000 1.296 396 N CA 0.284 53.118 53.050 -0.359 0.000 0.816 396 N CB 0.935 39.199 38.487 -0.372 0.000 1.504 396 N HN 0.344 nan 8.380 nan 0.000 0.582 397 S N 1.190 116.753 115.700 -0.229 0.000 2.370 397 S HA -0.230 4.240 4.470 0.000 0.000 0.226 397 S C 1.890 176.367 174.600 -0.204 0.000 1.033 397 S CA 1.799 59.881 58.200 -0.197 0.000 1.011 397 S CB -0.566 62.548 63.200 -0.143 0.000 0.852 397 S HN 0.632 nan 8.310 nan 0.000 0.457 398 S N 2.878 118.488 115.700 -0.151 0.000 2.423 398 S HA -0.097 4.374 4.470 0.000 0.000 0.238 398 S C 1.764 176.189 174.600 -0.291 0.000 1.028 398 S CA 1.418 59.548 58.200 -0.116 0.000 1.000 398 S CB -1.077 62.155 63.200 0.054 0.000 0.797 398 S HN 0.614 nan 8.310 nan 0.000 0.487 399 I N 1.048 121.395 120.570 -0.372 0.000 2.264 399 I HA -0.175 3.995 4.170 0.000 0.000 0.248 399 I C 2.361 177.870 176.117 -1.012 0.000 1.111 399 I CA 1.393 62.245 61.300 -0.745 0.000 1.382 399 I CB -0.440 37.100 38.000 -0.767 0.000 1.060 399 I HN 0.302 nan 8.210 nan 0.000 0.418 400 L N 0.014 120.868 121.223 -0.614 0.000 2.209 400 L HA -0.104 4.236 4.340 0.000 0.000 0.207 400 L C 2.465 179.210 176.870 -0.209 0.000 1.094 400 L CA 0.842 55.463 54.840 -0.365 0.000 0.790 400 L CB -0.309 41.664 42.059 -0.143 0.000 0.932 400 L HN 0.183 nan 8.230 nan 0.000 0.447 401 E N 0.238 120.307 120.200 -0.219 0.000 2.058 401 E HA -0.253 4.097 4.350 0.000 0.000 0.194 401 E C 1.521 178.052 176.600 -0.115 0.000 0.997 401 E CA 1.548 57.873 56.400 -0.126 0.000 0.801 401 E CB 0.138 29.770 29.700 -0.113 0.000 0.746 401 E HN 0.382 nan 8.360 nan 0.000 0.450 402 D N -0.695 119.570 120.400 -0.225 0.000 2.264 402 D HA -0.145 4.496 4.640 0.000 0.000 0.208 402 D C 1.099 177.425 176.300 0.043 0.000 0.966 402 D CA 0.573 54.489 54.000 -0.140 0.000 0.864 402 D CB -0.144 40.495 40.800 -0.267 0.000 0.933 402 D HN 0.375 nan 8.370 nan 0.000 0.499 403 W N 1.373 122.634 121.300 -0.066 0.000 2.937 403 W HA 0.112 4.773 4.660 0.000 0.000 0.245 403 W C 0.590 177.096 176.519 -0.022 0.000 1.306 403 W CA -0.240 57.085 57.345 -0.034 0.000 1.470 403 W CB -1.018 28.431 29.460 -0.018 0.000 1.132 403 W HN -0.091 nan 8.180 nan 0.000 0.675 439 K N 1.118 121.516 120.400 -0.003 0.000 2.263 439 K HA 0.289 4.609 4.320 0.000 0.000 0.272 439 K C -1.009 175.576 176.600 -0.025 0.000 1.033 439 K CA -0.417 55.864 56.287 -0.010 0.000 0.884 439 K CB 0.534 33.022 32.500 -0.020 0.000 1.107 439 K HN 0.321 nan 8.250 nan 0.000 0.460 440 D N 4.628 125.020 120.400 -0.012 0.000 2.277 440 D HA 0.100 4.740 4.640 0.000 0.000 0.249 440 D C -1.570 174.667 176.300 -0.106 0.000 1.134 440 D CA -1.733 52.246 54.000 -0.036 0.000 0.863 440 D CB 1.391 42.222 40.800 0.052 0.000 1.143 440 D HN 0.287 nan 8.370 nan 0.000 0.458 441 P HA -0.064 nan 4.420 nan 0.000 0.242 441 P C 0.290 177.430 177.300 -0.266 0.000 1.197 441 P CA 0.618 63.522 63.100 -0.327 0.000 0.765 441 P CB -0.127 31.262 31.700 -0.518 0.000 0.936 442 Y N -0.715 119.640 120.300 0.092 0.000 2.507 442 Y HA 0.150 4.701 4.550 0.000 0.000 0.254 442 Y C 1.604 177.596 175.900 0.154 0.000 1.171 442 Y CA -0.561 57.643 58.100 0.173 0.000 1.238 442 Y CB -0.095 38.569 38.460 0.340 0.000 1.148 442 Y HN -0.129 nan 8.280 nan 0.000 0.525 443 D N 0.597 121.108 120.400 0.186 0.000 2.350 443 D HA -0.108 4.532 4.640 0.000 0.000 0.216 443 D C 1.668 178.015 176.300 0.078 0.000 0.968 443 D CA 0.874 54.951 54.000 0.127 0.000 0.894 443 D CB 0.189 41.034 40.800 0.076 0.000 0.909 443 D HN 0.287 nan 8.370 nan 0.000 0.520 444 K N -0.029 120.410 120.400 0.065 0.000 2.243 444 K HA 0.084 4.404 4.320 0.000 0.000 0.201 444 K C 1.033 177.611 176.600 -0.035 0.000 1.051 444 K CA 0.182 56.479 56.287 0.016 0.000 0.970 444 K CB 0.449 32.957 32.500 0.014 0.000 0.755 444 K HN 0.209 nan 8.250 nan 0.000 0.465 445 L N 2.191 123.377 121.223 -0.061 0.000 2.357 445 L HA 0.193 4.533 4.340 0.000 0.000 0.273 445 L C 0.276 176.868 176.870 -0.464 0.000 1.080 445 L CA -0.958 53.724 54.840 -0.263 0.000 0.803 445 L CB 0.745 42.611 42.059 -0.320 0.000 1.174 445 L HN -0.218 nan 8.230 nan 0.000 0.443 446 K N 3.043 123.165 120.400 -0.464 0.000 2.379 446 K HA 0.430 4.750 4.320 0.000 0.000 0.284 446 K C -0.875 175.404 176.600 -0.535 0.000 1.044 446 K CA 0.481 56.551 56.287 -0.362 0.000 0.974 446 K CB 0.238 32.628 32.500 -0.184 0.000 0.962 446 K HN 0.286 nan 8.250 nan 0.000 0.474 447 F N 0.609 120.600 119.950 0.068 0.000 2.613 447 F HA 0.269 4.796 4.527 0.000 0.000 0.314 447 F C -0.160 175.726 175.800 0.143 0.000 1.075 447 F CA -1.266 56.791 58.000 0.093 0.000 0.945 447 F CB 1.447 40.515 39.000 0.114 0.000 1.310 447 F HN 0.371 nan 8.300 nan 0.000 0.467 448 W N 4.535 125.898 121.300 0.106 0.000 2.332 448 W HA 0.310 4.971 4.660 0.000 0.000 0.306 448 W C -1.054 175.531 176.519 0.111 0.000 1.149 448 W CA -0.989 56.379 57.345 0.038 0.000 1.271 448 W CB 0.425 29.809 29.460 -0.128 0.000 1.243 448 W HN 0.442 nan 8.180 nan 0.000 0.459 449 N N 4.552 123.571 118.700 0.531 0.000 2.455 449 N HA 0.308 5.048 4.740 0.000 0.000 0.280 449 N C -1.216 174.482 175.510 0.314 0.000 1.055 449 N CA -0.273 52.962 53.050 0.308 0.000 0.961 449 N CB 2.310 40.915 38.487 0.197 0.000 1.121 449 N HN 0.076 nan 8.380 nan 0.000 0.476 450 V N 1.981 121.988 119.914 0.156 0.000 2.447 450 V HA 0.103 4.223 4.120 0.000 0.000 0.292 450 V C -0.318 175.804 176.094 0.046 0.000 1.021 450 V CA -0.883 61.485 62.300 0.113 0.000 0.850 450 V CB 1.811 33.650 31.823 0.028 0.000 1.005 450 V HN 0.562 nan 8.190 nan 0.000 0.426 451 D N 4.931 125.369 120.400 0.063 0.000 2.280 451 D HA 0.358 4.998 4.640 0.000 0.000 0.243 451 D C 0.161 176.478 176.300 0.028 0.000 1.129 451 D CA -0.129 53.888 54.000 0.029 0.000 0.848 451 D CB 1.736 42.562 40.800 0.044 0.000 1.107 451 D HN 0.486 nan 8.370 nan 0.000 0.471 452 L N 3.962 125.185 121.223 0.001 0.000 3.066 452 L HA 0.189 4.529 4.340 0.000 0.000 0.265 452 L C 1.920 178.816 176.870 0.044 0.000 1.232 452 L CA -0.258 54.617 54.840 0.057 0.000 1.031 452 L CB 0.382 42.496 42.059 0.092 0.000 1.379 452 L HN 0.200 nan 8.230 nan 0.000 0.563 453 K N 0.508 120.887 120.400 -0.034 0.000 2.147 453 K HA -0.087 4.233 4.320 0.000 0.000 0.205 453 K C 0.885 177.475 176.600 -0.017 0.000 1.049 453 K CA 0.946 57.162 56.287 -0.118 0.000 0.936 453 K CB 0.214 32.671 32.500 -0.072 0.000 0.722 453 K HN 0.228 nan 8.250 nan 0.000 0.446 454 E N 0.712 120.952 120.200 0.067 0.000 2.368 454 E HA 0.022 4.372 4.350 0.000 0.000 0.188 454 E C 0.235 176.938 176.600 0.172 0.000 1.061 454 E CA 0.305 56.781 56.400 0.125 0.000 0.933 454 E CB 0.480 30.242 29.700 0.102 0.000 1.091 454 E HN 0.246 nan 8.360 nan 0.000 0.458 455 K N 0.096 120.629 120.400 0.222 0.000 2.520 455 K HA 0.185 4.505 4.320 0.000 0.000 0.206 455 K C -0.006 176.771 176.600 0.295 0.000 1.122 455 K CA -0.360 56.065 56.287 0.230 0.000 1.045 455 K CB 0.636 33.233 32.500 0.160 0.000 0.932 455 K HN -0.076 nan 8.250 nan 0.000 0.571 456 F N 1.992 121.983 119.950 0.069 0.000 2.429 456 F HA 0.206 4.734 4.527 0.000 0.000 0.348 456 F C 0.951 176.946 175.800 0.324 0.000 1.109 456 F CA -0.060 58.020 58.000 0.135 0.000 1.232 456 F CB 1.241 40.226 39.000 -0.024 0.000 1.157 456 F HN -0.184 nan 8.300 nan 0.000 0.564 457 S N 3.057 119.015 115.700 0.429 0.000 2.564 457 S HA 0.554 5.024 4.470 0.000 0.000 0.274 457 S C 0.168 174.897 174.600 0.214 0.000 1.124 457 S CA -0.688 57.727 58.200 0.358 0.000 0.869 457 S CB 1.110 64.487 63.200 0.295 0.000 1.105 457 S HN 0.625 nan 8.310 nan 0.000 0.472 458 L N 1.321 122.600 121.223 0.094 0.000 2.477 458 L HA 0.243 4.584 4.340 0.000 0.000 0.220 458 L C -0.247 176.627 176.870 0.006 0.000 1.106 458 L CA 0.308 55.075 54.840 -0.123 0.000 0.851 458 L CB -0.006 41.952 42.059 -0.169 0.000 0.994 458 L HN 0.651 nan 8.230 nan 0.000 0.462 459 D N 0.206 120.666 120.400 0.101 0.000 2.479 459 D HA 0.135 4.775 4.640 0.000 0.000 0.218 459 D C 1.182 177.584 176.300 0.170 0.000 1.131 459 D CA -0.229 53.831 54.000 0.099 0.000 0.916 459 D CB 0.446 41.280 40.800 0.057 0.000 1.022 459 D HN 0.036 nan 8.370 nan 0.000 0.515 460 L N 0.675 121.994 121.223 0.161 0.000 2.042 460 L HA -0.188 4.152 4.340 0.000 0.000 0.210 460 L C 1.926 178.904 176.870 0.179 0.000 1.076 460 L CA 1.492 56.459 54.840 0.211 0.000 0.749 460 L CB -0.494 41.688 42.059 0.204 0.000 0.893 460 L HN 0.347 nan 8.230 nan 0.000 0.432 461 D N -0.176 120.282 120.400 0.098 0.000 2.244 461 D HA -0.260 4.380 4.640 0.000 0.000 0.197 461 D C 2.023 178.305 176.300 -0.030 0.000 1.006 461 D CA 1.292 55.312 54.000 0.034 0.000 0.888 461 D CB 0.142 40.949 40.800 0.012 0.000 0.912 461 D HN 0.292 nan 8.370 nan 0.000 0.452 462 Q N -1.110 118.629 119.800 -0.102 0.000 2.444 462 Q HA 0.033 4.374 4.340 0.000 0.000 0.206 462 Q C -0.479 175.159 176.000 -0.603 0.000 0.948 462 Q CA 0.435 56.011 55.803 -0.379 0.000 0.946 462 Q CB 0.388 28.764 28.738 -0.604 0.000 1.027 462 Q HN 0.503 nan 8.270 nan 0.000 0.513 463 Y N -0.614 119.590 120.300 -0.159 0.000 2.570 463 Y HA 0.238 4.789 4.550 0.000 0.000 0.345 463 Y C -1.577 174.286 175.900 -0.062 0.000 1.014 463 Y CA -2.487 55.493 58.100 -0.201 0.000 1.063 463 Y CB 1.204 39.320 38.460 -0.574 0.000 1.272 463 Y HN -0.190 nan 8.280 nan 0.000 0.477 464 P HA -0.248 nan 4.420 nan 0.000 0.208 464 P C 1.838 179.224 177.300 0.143 0.000 1.180 464 P CA 1.561 64.724 63.100 0.105 0.000 0.935 464 P CB 0.407 32.151 31.700 0.074 0.000 0.785 465 L N -0.567 120.749 121.223 0.155 0.000 2.021 465 L HA -0.214 4.126 4.340 0.000 0.000 0.215 465 L C 2.651 179.697 176.870 0.294 0.000 1.074 465 L CA 2.363 57.299 54.840 0.159 0.000 0.760 465 L CB -1.484 40.600 42.059 0.043 0.000 0.889 465 L HN 0.093 nan 8.230 nan 0.000 0.433 466 G N -0.264 108.744 108.800 0.347 0.000 2.599 466 G HA2 -0.354 3.606 3.960 0.000 0.000 0.219 466 G HA3 -0.354 3.606 3.960 0.000 0.000 0.219 466 G C 1.540 176.590 174.900 0.250 0.000 1.193 466 G CA 1.248 46.533 45.100 0.309 0.000 0.778 466 G HN 0.430 nan 8.290 nan 0.000 0.589 467 R N 0.230 120.834 120.500 0.173 0.000 2.075 467 R HA 0.041 4.382 4.340 0.000 0.000 0.232 467 R C 2.651 179.006 176.300 0.092 0.000 1.126 467 R CA 1.255 57.414 56.100 0.098 0.000 0.963 467 R CB -0.350 29.982 30.300 0.054 0.000 0.858 467 R HN 0.284 nan 8.270 nan 0.000 0.435 468 K N 0.200 120.694 120.400 0.157 0.000 2.160 468 K HA -0.191 4.129 4.320 0.000 0.000 0.206 468 K C 1.854 178.552 176.600 0.163 0.000 1.047 468 K CA 1.503 57.911 56.287 0.201 0.000 0.930 468 K CB -0.246 32.430 32.500 0.293 0.000 0.720 468 K HN 0.078 nan 8.250 nan 0.000 0.450 469 F N 1.473 121.462 119.950 0.065 0.000 2.113 469 F HA -0.128 4.399 4.527 0.000 0.000 0.297 469 F C 1.657 177.240 175.800 -0.361 0.000 1.103 469 F CA 1.270 59.071 58.000 -0.332 0.000 1.248 469 F CB -0.252 38.650 39.000 -0.164 0.000 0.999 469 F HN -0.122 nan 8.300 nan 0.000 0.475 470 L N -0.685 120.348 121.223 -0.316 0.000 2.131 470 L HA -0.214 4.126 4.340 0.000 0.000 0.210 470 L C 2.335 178.990 176.870 -0.359 0.000 1.092 470 L CA 0.798 55.422 54.840 -0.360 0.000 0.759 470 L CB -0.862 41.129 42.059 -0.113 0.000 0.903 470 L HN 0.040 nan 8.230 nan 0.000 0.435 471 V N -0.371 119.387 119.914 -0.259 0.000 2.223 471 V HA -0.338 3.782 4.120 0.000 0.000 0.244 471 V C 2.522 178.429 176.094 -0.313 0.000 1.045 471 V CA 2.087 64.257 62.300 -0.216 0.000 1.000 471 V CB -0.670 31.080 31.823 -0.121 0.000 0.635 471 V HN 0.553 nan 8.190 nan 0.000 0.445 472 Q N 0.081 119.624 119.800 -0.428 0.000 2.248 472 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 472 Q C 2.126 177.789 176.000 -0.562 0.000 0.984 472 Q CA 2.142 57.637 55.803 -0.512 0.000 0.875 472 Q CB -0.256 27.977 28.738 -0.842 0.000 0.910 472 Q HN 0.646 nan 8.270 nan 0.000 0.433 473 A N -0.687 121.701 122.820 -0.720 0.000 1.969 473 A HA 0.088 4.409 4.320 0.000 0.000 0.218 473 A C 1.776 179.159 177.584 -0.335 0.000 1.169 473 A CA 1.946 53.613 52.037 -0.616 0.000 0.635 473 A CB -0.358 18.146 19.000 -0.826 0.000 0.810 473 A HN 0.646 nan 8.150 nan 0.000 0.445 474 G N -1.228 107.404 108.800 -0.281 0.000 2.561 474 G HA2 -0.188 3.772 3.960 0.000 0.000 0.203 474 G HA3 -0.188 3.772 3.960 0.000 0.000 0.203 474 G C 0.472 175.288 174.900 -0.141 0.000 1.101 474 G CA -0.070 44.925 45.100 -0.176 0.000 0.711 474 G HN 1.128 nan 8.290 nan 0.000 0.511 475 L N 0.000 121.137 121.223 -0.143 0.000 2.949 475 L HA 0.000 4.340 4.340 0.000 0.000 0.249 475 L CA 0.000 54.779 54.840 -0.101 0.000 0.813 475 L CB 0.000 42.013 42.059 -0.077 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502