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 3nnk_1_P DATA FIRST_RESID 2 DATA SEQUENCE DITQFSQLNP PSRLLMGPGP INADPRVLRA MSSQLIGQYD PAMTHYMNEV DATA SEQUENCE MALYRGVFRT ENRWTMLVDG TSRAGIEAIL VSAIRPGDKV LVPVFGRFGH DATA SEQUENCE LLCEIARRCR AEVHTIEVPW GEVFTPDQVE DAVKRIRPRL LLTVQGDTST DATA SEQUENCE TMLQPLAELG EICRRYDALF YTDATASLGG NPLETDVWGL DAVSAGMQXC DATA SEQUENCE LGGPSGTSPI TLSARMEEAI RRRKCVEEGI RTDAHRDGDE EMIYSNYFDL DATA SEQUENCE GMVMDYWGPE RLNHHTEATT ALFGARECAR LILQEGLDYG IARHKLHGDA DATA SEQUENCE LVKGIQAMGL ETFGDLKHKM NNVLGVVIPQ GINGDQARKL MLEDFGIEIG DATA SEQUENCE TSFGPLHGKV WRIGTMGYNA RKDCVMTTLS ALEAVLNYLK FPTTQGAAMQ DATA SEQUENCE AAWDHYRSER 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.448 176.300 0.246 0.000 2.045 2 D CA 0.000 54.075 54.000 0.125 0.000 0.868 2 D CB 0.000 40.844 40.800 0.073 0.000 0.688 3 I N -0.333 120.362 120.570 0.208 0.000 2.584 3 I HA 0.040 4.210 4.170 -0.000 0.000 0.255 3 I C 2.849 179.128 176.117 0.271 0.000 1.145 3 I CA 2.827 64.293 61.300 0.277 0.000 1.462 3 I CB 0.083 38.139 38.000 0.094 0.000 1.102 3 I HN 0.761 nan 8.210 nan 0.000 0.433 4 T N -0.623 114.019 114.554 0.146 0.000 2.897 4 T HA -0.273 4.077 4.350 -0.000 0.000 0.271 4 T C 1.615 176.359 174.700 0.072 0.000 1.084 4 T CA 1.479 63.635 62.100 0.094 0.000 1.123 4 T CB -0.774 68.126 68.868 0.053 0.000 0.865 4 T HN 0.708 nan 8.240 nan 0.000 0.496 5 Q N -0.159 119.669 119.800 0.047 0.000 2.482 5 Q HA 0.160 4.500 4.340 -0.000 0.000 0.209 5 Q C -0.299 175.570 176.000 -0.219 0.000 0.961 5 Q CA 0.061 55.806 55.803 -0.096 0.000 0.945 5 Q CB -0.430 28.205 28.738 -0.171 0.000 1.012 5 Q HN 0.555 nan 8.270 nan 0.000 0.515 6 F N 2.755 122.709 119.950 0.006 0.000 2.303 6 F HA 0.263 4.790 4.527 -0.000 0.000 0.368 6 F C 0.462 176.266 175.800 0.007 0.000 1.105 6 F CA -0.785 57.219 58.000 0.007 0.000 1.153 6 F CB 0.928 39.932 39.000 0.007 0.000 1.362 6 F HN 0.074 nan 8.300 nan 0.000 0.511 7 S N 2.252 118.021 115.700 0.116 0.000 2.713 7 S HA 0.437 4.906 4.470 -0.000 0.000 0.277 7 S C -0.178 174.472 174.600 0.084 0.000 1.168 7 S CA -1.110 57.139 58.200 0.081 0.000 0.994 7 S CB 0.862 64.084 63.200 0.037 0.000 1.054 7 S HN 0.635 nan 8.310 nan 0.000 0.555 8 Q N 0.137 119.972 119.800 0.058 0.000 2.479 8 Q HA 0.236 4.576 4.340 -0.000 0.000 0.267 8 Q C -0.338 175.692 176.000 0.049 0.000 1.071 8 Q CA -0.747 55.087 55.803 0.051 0.000 0.935 8 Q CB 0.097 28.857 28.738 0.036 0.000 1.295 8 Q HN 0.548 nan 8.270 nan 0.000 0.476 9 L N 2.412 123.663 121.223 0.046 0.000 2.540 9 L HA 0.032 4.372 4.340 -0.000 0.000 0.276 9 L C -0.256 176.634 176.870 0.034 0.000 1.212 9 L CA 1.246 56.112 54.840 0.043 0.000 0.893 9 L CB -0.240 41.843 42.059 0.038 0.000 1.138 9 L HN 1.078 nan 8.230 nan 0.000 0.491 10 N N 5.809 124.529 118.700 0.032 0.000 2.824 10 N HA 0.244 4.984 4.740 -0.000 0.000 0.224 10 N C -2.581 172.944 175.510 0.025 0.000 1.418 10 N CA -0.764 52.301 53.050 0.025 0.000 0.743 10 N CB 1.283 39.782 38.487 0.021 0.000 1.395 10 N HN 0.413 nan 8.380 nan 0.000 0.548 11 P HA 0.377 nan 4.420 nan 0.000 0.279 11 P C -2.514 174.800 177.300 0.025 0.000 1.239 11 P CA -0.682 62.435 63.100 0.028 0.000 0.789 11 P CB 0.451 32.170 31.700 0.032 0.000 0.933 12 P HA 0.056 nan 4.420 nan 0.000 0.272 12 P C -0.106 177.209 177.300 0.025 0.000 1.230 12 P CA -0.263 62.849 63.100 0.021 0.000 0.788 12 P CB 0.483 32.195 31.700 0.020 0.000 0.949 13 S N 1.885 117.598 115.700 0.022 0.000 2.498 13 S HA 0.153 4.623 4.470 -0.000 0.000 0.281 13 S C -0.093 174.526 174.600 0.032 0.000 1.265 13 S CA -0.436 57.780 58.200 0.027 0.000 1.071 13 S CB -0.636 62.576 63.200 0.021 0.000 0.894 13 S HN 0.225 nan 8.310 nan 0.000 0.491 14 R N 3.849 124.373 120.500 0.039 0.000 2.532 14 R HA 0.338 4.678 4.340 -0.000 0.000 0.297 14 R C -1.322 175.006 176.300 0.047 0.000 0.984 14 R CA -0.831 55.295 56.100 0.043 0.000 0.884 14 R CB 1.392 31.719 30.300 0.045 0.000 1.182 14 R HN 0.568 nan 8.270 nan 0.000 0.442 15 L N 4.681 125.928 121.223 0.040 0.000 2.268 15 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 15 L C -0.702 176.185 176.870 0.029 0.000 1.064 15 L CA -0.069 54.790 54.840 0.032 0.000 0.824 15 L CB 0.407 42.475 42.059 0.015 0.000 1.202 15 L HN 0.490 nan 8.230 nan 0.000 0.433 16 L N 6.919 128.167 121.223 0.042 0.000 2.268 16 L HA 0.317 4.657 4.340 -0.000 0.000 0.289 16 L C 0.362 177.255 176.870 0.037 0.000 1.064 16 L CA -0.005 54.862 54.840 0.045 0.000 0.824 16 L CB 0.554 42.651 42.059 0.063 0.000 1.202 16 L HN 0.625 nan 8.230 nan 0.000 0.433 17 M N 2.549 122.163 119.600 0.023 0.000 2.785 17 M HA 0.264 4.744 4.480 -0.000 0.000 0.374 17 M C 0.635 176.952 176.300 0.029 0.000 1.221 17 M CA -0.089 55.221 55.300 0.016 0.000 0.912 17 M CB 0.476 33.067 32.600 -0.016 0.000 1.355 17 M HN 0.592 nan 8.290 nan 0.000 0.513 18 G N 1.627 110.456 108.800 0.050 0.000 2.773 18 G HA2 0.437 4.397 3.960 -0.000 0.000 0.186 18 G HA3 0.437 4.397 3.960 -0.000 0.000 0.186 18 G C -2.028 172.927 174.900 0.091 0.000 1.411 18 G CA -0.343 44.798 45.100 0.067 0.000 1.054 18 G HN 0.140 nan 8.290 nan 0.000 0.579 19 P HA 0.274 nan 4.420 nan 0.000 0.251 19 P C 0.311 177.690 177.300 0.131 0.000 1.223 19 P CA 0.826 64.008 63.100 0.137 0.000 0.796 19 P CB 0.912 32.721 31.700 0.182 0.000 1.068 20 G N 0.819 109.692 108.800 0.122 0.000 2.453 20 G HA2 0.141 4.101 3.960 -0.000 0.000 0.665 20 G HA3 0.141 4.101 3.960 -0.000 0.000 0.665 20 G C -3.223 171.748 174.900 0.118 0.000 1.411 20 G CA -0.974 44.192 45.100 0.110 0.000 0.889 20 G HN -0.116 nan 8.290 nan 0.000 0.651 21 P HA 0.619 nan 4.420 nan 0.000 0.274 21 P C 0.114 177.465 177.300 0.085 0.000 1.231 21 P CA -0.409 62.742 63.100 0.086 0.000 0.790 21 P CB 1.251 32.997 31.700 0.077 0.000 0.951 22 I N -1.153 119.469 120.570 0.086 0.000 3.076 22 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 22 I C -0.216 175.959 176.117 0.097 0.000 1.053 22 I CA -1.197 60.157 61.300 0.091 0.000 1.048 22 I CB 0.546 38.605 38.000 0.099 0.000 1.264 22 I HN 0.116 nan 8.210 nan 0.000 0.498 23 N N 2.114 120.883 118.700 0.115 0.000 2.412 23 N HA 0.357 5.097 4.740 -0.000 0.000 0.258 23 N C -0.340 175.243 175.510 0.122 0.000 1.236 23 N CA 0.345 53.474 53.050 0.133 0.000 0.882 23 N CB 0.520 39.130 38.487 0.205 0.000 1.066 23 N HN 0.867 nan 8.380 nan 0.000 0.465 24 A N 1.630 124.474 122.820 0.040 0.000 2.351 24 A HA 0.070 4.390 4.320 -0.000 0.000 0.257 24 A C 0.186 177.641 177.584 -0.216 0.000 1.087 24 A CA -0.509 51.511 52.037 -0.029 0.000 0.798 24 A CB 0.315 19.298 19.000 -0.028 0.000 1.033 24 A HN 0.674 nan 8.150 nan 0.000 0.488 25 D N 1.737 121.979 120.400 -0.264 0.000 2.450 25 D HA 0.099 4.739 4.640 -0.000 0.000 0.247 25 D C -1.515 174.535 176.300 -0.416 0.000 1.162 25 D CA -1.240 52.431 54.000 -0.548 0.000 0.879 25 D CB 1.052 41.708 40.800 -0.239 0.000 1.163 25 D HN 0.119 nan 8.370 nan 0.000 0.472 26 P HA -0.128 nan 4.420 nan 0.000 0.218 26 P C 0.957 178.166 177.300 -0.150 0.000 1.146 26 P CA 1.209 64.154 63.100 -0.258 0.000 0.813 26 P CB 0.271 31.841 31.700 -0.217 0.000 0.778 27 R N -1.079 119.333 120.500 -0.145 0.000 2.148 27 R HA -0.032 4.308 4.340 -0.000 0.000 0.227 27 R C 2.055 178.318 176.300 -0.063 0.000 1.103 27 R CA 0.850 56.900 56.100 -0.083 0.000 0.983 27 R CB -1.224 29.038 30.300 -0.064 0.000 0.874 27 R HN 0.121 nan 8.270 nan 0.000 0.451 28 V N 0.750 120.621 119.914 -0.071 0.000 2.379 28 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 28 V C 2.112 178.197 176.094 -0.016 0.000 1.044 28 V CA 1.441 63.723 62.300 -0.031 0.000 1.036 28 V CB -0.392 31.417 31.823 -0.023 0.000 0.664 28 V HN 0.226 nan 8.190 nan 0.000 0.453 29 L N -0.485 120.715 121.223 -0.038 0.000 2.046 29 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 29 L C 2.815 179.681 176.870 -0.006 0.000 1.077 29 L CA 1.723 56.552 54.840 -0.018 0.000 0.747 29 L CB -0.628 41.411 42.059 -0.034 0.000 0.896 29 L HN 0.225 nan 8.230 nan 0.000 0.432 30 R N -0.099 120.388 120.500 -0.021 0.000 2.075 30 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 30 R C 2.430 178.725 176.300 -0.007 0.000 1.126 30 R CA 1.302 57.393 56.100 -0.015 0.000 0.963 30 R CB -0.501 29.782 30.300 -0.028 0.000 0.858 30 R HN 0.353 nan 8.270 nan 0.000 0.435 31 A N 0.929 123.742 122.820 -0.012 0.000 1.978 31 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 31 A C 2.066 179.690 177.584 0.066 0.000 1.170 31 A CA 1.307 53.336 52.037 -0.013 0.000 0.636 31 A CB -0.401 18.587 19.000 -0.020 0.000 0.810 31 A HN 0.224 nan 8.150 nan 0.000 0.448 32 M N 0.297 119.948 119.600 0.085 0.000 2.557 32 M HA -0.087 4.393 4.480 -0.000 0.000 0.259 32 M C 1.996 178.365 176.300 0.115 0.000 1.086 32 M CA 1.346 56.721 55.300 0.125 0.000 1.096 32 M CB -0.169 32.477 32.600 0.076 0.000 1.424 32 M HN 0.634 nan 8.290 nan 0.000 0.488 33 S N -1.201 114.544 115.700 0.075 0.000 2.558 33 S HA 0.037 4.507 4.470 -0.000 0.000 0.217 33 S C 0.965 175.608 174.600 0.070 0.000 0.975 33 S CA -0.233 58.004 58.200 0.061 0.000 0.912 33 S CB -0.260 62.960 63.200 0.032 0.000 0.776 33 S HN 0.365 nan 8.310 nan 0.000 0.526 34 S N 1.588 117.336 115.700 0.081 0.000 2.558 34 S HA 0.131 4.600 4.470 -0.000 0.000 0.288 34 S C 0.024 174.713 174.600 0.149 0.000 1.318 34 S CA -0.438 57.794 58.200 0.054 0.000 1.056 34 S CB 0.396 63.536 63.200 -0.099 0.000 0.853 34 S HN 0.573 nan 8.310 nan 0.000 0.505 35 Q N 2.828 122.690 119.800 0.104 0.000 2.421 35 Q HA 0.395 4.734 4.340 -0.000 0.000 0.255 35 Q C -0.648 175.480 176.000 0.214 0.000 1.013 35 Q CA 0.223 56.102 55.803 0.126 0.000 0.895 35 Q CB 0.421 29.205 28.738 0.076 0.000 1.271 35 Q HN 0.723 nan 8.270 nan 0.000 0.460 36 L N 3.690 125.019 121.223 0.178 0.000 2.421 36 L HA 0.477 4.816 4.340 -0.000 0.000 0.263 36 L C 0.398 177.366 176.870 0.162 0.000 1.122 36 L CA -0.988 53.967 54.840 0.190 0.000 0.804 36 L CB 0.574 42.682 42.059 0.082 0.000 1.150 36 L HN 0.620 nan 8.230 nan 0.000 0.457 37 I N -1.319 119.359 120.570 0.179 0.000 3.133 37 I HA 0.660 4.830 4.170 -0.000 0.000 0.311 37 I C 0.393 176.555 176.117 0.074 0.000 1.072 37 I CA -0.685 60.692 61.300 0.129 0.000 1.015 37 I CB 1.164 39.262 38.000 0.163 0.000 1.233 37 I HN 0.564 nan 8.210 nan 0.000 0.473 38 G N 0.838 109.673 108.800 0.058 0.000 2.614 38 G HA2 0.062 4.022 3.960 -0.000 0.000 0.239 38 G HA3 0.062 4.022 3.960 -0.000 0.000 0.239 38 G C 0.389 175.285 174.900 -0.005 0.000 1.240 38 G CA -0.124 44.999 45.100 0.037 0.000 0.842 38 G HN 0.924 nan 8.290 nan 0.000 0.584 39 Q N 0.062 119.833 119.800 -0.049 0.000 2.135 39 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 39 Q C 0.674 176.424 176.000 -0.417 0.000 0.981 39 Q CA 1.527 57.191 55.803 -0.231 0.000 0.856 39 Q CB -0.087 28.497 28.738 -0.256 0.000 0.902 39 Q HN 0.712 nan 8.270 nan 0.000 0.425 40 Y N 0.306 120.610 120.300 0.008 0.000 2.636 40 Y HA 0.232 4.782 4.550 -0.000 0.000 0.260 40 Y C -0.311 175.587 175.900 -0.003 0.000 1.177 40 Y CA -0.785 57.312 58.100 -0.005 0.000 1.209 40 Y CB 0.537 39.000 38.460 0.006 0.000 1.166 40 Y HN 0.034 nan 8.280 nan 0.000 0.531 41 D N 1.741 122.194 120.400 0.088 0.000 2.458 41 D HA -0.023 4.616 4.640 -0.000 0.000 0.243 41 D C -1.697 174.626 176.300 0.039 0.000 1.146 41 D CA -1.114 52.923 54.000 0.062 0.000 0.877 41 D CB 1.703 42.536 40.800 0.055 0.000 1.176 41 D HN 0.079 nan 8.370 nan 0.000 0.461 42 P HA -0.170 nan 4.420 nan 0.000 0.217 42 P C 0.825 178.108 177.300 -0.029 0.000 1.148 42 P CA 1.503 64.604 63.100 0.001 0.000 0.834 42 P CB 0.164 31.852 31.700 -0.019 0.000 0.783 43 A N -1.360 121.429 122.820 -0.051 0.000 1.930 43 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 43 A C 2.194 179.737 177.584 -0.070 0.000 1.175 43 A CA 1.837 53.791 52.037 -0.138 0.000 0.627 43 A CB -1.249 17.698 19.000 -0.087 0.000 0.815 43 A HN 0.112 nan 8.150 nan 0.000 0.443 44 M N 0.818 120.457 119.600 0.065 0.000 2.132 44 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 44 M C 2.185 178.496 176.300 0.018 0.000 1.065 44 M CA 2.580 57.951 55.300 0.118 0.000 1.122 44 M CB -0.859 31.754 32.600 0.021 0.000 1.365 44 M HN 0.544 nan 8.290 nan 0.000 0.411 45 T N -2.778 111.753 114.554 -0.038 0.000 2.951 45 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 45 T C 2.049 176.743 174.700 -0.009 0.000 1.073 45 T CA 1.507 63.564 62.100 -0.071 0.000 1.134 45 T CB -0.971 67.871 68.868 -0.044 0.000 0.884 45 T HN 0.566 nan 8.240 nan 0.000 0.479 46 H N -0.004 119.010 119.070 -0.094 0.000 2.389 46 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 46 H C 1.755 177.060 175.328 -0.039 0.000 1.081 46 H CA 1.451 57.429 56.048 -0.116 0.000 1.345 46 H CB -0.316 29.302 29.762 -0.240 0.000 1.393 46 H HN 0.582 nan 8.280 nan 0.000 0.520 47 Y N 0.113 120.456 120.300 0.071 0.000 2.263 47 Y HA -0.158 4.392 4.550 -0.000 0.000 0.292 47 Y C 3.019 178.954 175.900 0.058 0.000 1.130 47 Y CA 0.629 58.773 58.100 0.074 0.000 1.179 47 Y CB 0.055 38.634 38.460 0.200 0.000 0.998 47 Y HN 0.142 nan 8.280 nan 0.000 0.532 48 M N -0.126 119.565 119.600 0.151 0.000 2.159 48 M HA -0.242 4.237 4.480 -0.000 0.000 0.263 48 M C 1.540 177.985 176.300 0.241 0.000 1.063 48 M CA 1.804 57.170 55.300 0.110 0.000 1.110 48 M CB -0.476 31.926 32.600 -0.330 0.000 1.374 48 M HN 0.316 nan 8.290 nan 0.000 0.411 49 N N -0.030 118.722 118.700 0.086 0.000 2.120 49 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 49 N C 1.583 177.116 175.510 0.038 0.000 1.024 49 N CA 1.128 54.207 53.050 0.048 0.000 0.852 49 N CB -0.054 38.397 38.487 -0.059 0.000 1.003 49 N HN 0.403 nan 8.380 nan 0.000 0.424 50 E N 0.512 120.705 120.200 -0.012 0.000 2.051 50 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 50 E C 2.100 178.774 176.600 0.123 0.000 0.991 50 E CA 0.942 57.355 56.400 0.022 0.000 0.799 50 E CB -0.026 29.698 29.700 0.040 0.000 0.748 50 E HN 0.134 nan 8.360 nan 0.000 0.449 51 V N 1.480 121.531 119.914 0.228 0.000 2.287 51 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 51 V C 2.347 178.652 176.094 0.352 0.000 1.053 51 V CA 1.854 64.355 62.300 0.335 0.000 1.027 51 V CB -0.442 31.656 31.823 0.459 0.000 0.646 51 V HN 0.325 nan 8.190 nan 0.000 0.447 52 M N -0.260 119.516 119.600 0.293 0.000 2.065 52 M HA -0.217 4.262 4.480 -0.000 0.000 0.259 52 M C 2.395 178.786 176.300 0.152 0.000 1.069 52 M CA 2.402 57.823 55.300 0.201 0.000 1.110 52 M CB -0.673 32.031 32.600 0.173 0.000 1.328 52 M HN 0.411 nan 8.290 nan 0.000 0.405 53 A N 0.346 123.226 122.820 0.101 0.000 1.902 53 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 53 A C 2.119 179.727 177.584 0.040 0.000 1.181 53 A CA 1.371 53.438 52.037 0.050 0.000 0.623 53 A CB -0.922 18.089 19.000 0.018 0.000 0.818 53 A HN 0.452 nan 8.150 nan 0.000 0.443 54 L N -2.303 118.937 121.223 0.029 0.000 2.046 54 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 54 L C 2.483 179.264 176.870 -0.148 0.000 1.077 54 L CA 1.373 56.163 54.840 -0.084 0.000 0.747 54 L CB -0.541 41.425 42.059 -0.154 0.000 0.896 54 L HN 0.463 nan 8.230 nan 0.000 0.432 55 Y N -0.270 120.051 120.300 0.034 0.000 2.457 55 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 55 Y C 2.639 178.622 175.900 0.140 0.000 1.125 55 Y CA 0.655 58.778 58.100 0.038 0.000 1.254 55 Y CB -0.215 38.307 38.460 0.103 0.000 1.012 55 Y HN 0.024 nan 8.280 nan 0.000 0.555 56 R N -0.641 119.997 120.500 0.230 0.000 2.091 56 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 56 R C 2.562 178.918 176.300 0.093 0.000 1.136 56 R CA 1.352 57.547 56.100 0.159 0.000 0.959 56 R CB -0.927 29.415 30.300 0.070 0.000 0.856 56 R HN 0.409 nan 8.270 nan 0.000 0.437 57 G N 0.162 108.977 108.800 0.024 0.000 2.422 57 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 57 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 57 G C 1.439 176.307 174.900 -0.054 0.000 1.140 57 G CA 0.489 45.574 45.100 -0.025 0.000 0.775 57 G HN 0.121 nan 8.290 nan 0.000 0.545 58 V N 0.148 120.004 119.914 -0.096 0.000 2.323 58 V HA -0.005 4.115 4.120 -0.000 0.000 0.244 58 V C 2.369 178.365 176.094 -0.164 0.000 1.041 58 V CA 1.134 63.325 62.300 -0.180 0.000 1.025 58 V CB -0.610 31.026 31.823 -0.311 0.000 0.656 58 V HN 0.276 nan 8.190 nan 0.000 0.451 59 F N 0.004 119.951 119.950 -0.004 0.000 2.365 59 F HA 0.118 4.644 4.527 -0.000 0.000 0.300 59 F C 1.364 177.098 175.800 -0.110 0.000 1.090 59 F CA 0.457 58.429 58.000 -0.048 0.000 1.408 59 F CB -0.132 38.852 39.000 -0.026 0.000 1.060 59 F HN 0.058 nan 8.300 nan 0.000 0.534 60 R N 0.563 121.101 120.500 0.063 0.000 3.184 60 R HA -0.171 4.169 4.340 -0.000 0.000 0.257 60 R C -0.230 176.055 176.300 -0.025 0.000 0.999 60 R CA 0.810 56.893 56.100 -0.028 0.000 0.670 60 R CB -2.489 27.739 30.300 -0.119 0.000 1.197 60 R HN 0.280 nan 8.270 nan 0.000 0.419 61 T N -1.815 112.750 114.554 0.018 0.000 2.896 61 T HA 0.413 4.763 4.350 -0.000 0.000 0.297 61 T C 0.539 175.232 174.700 -0.011 0.000 1.108 61 T CA -0.570 61.525 62.100 -0.008 0.000 1.004 61 T CB 1.681 70.540 68.868 -0.015 0.000 1.159 61 T HN 0.300 nan 8.240 nan 0.000 0.499 62 E N 1.197 121.379 120.200 -0.030 0.000 2.481 62 E HA 0.160 4.509 4.350 -0.000 0.000 0.198 62 E C -0.177 176.387 176.600 -0.059 0.000 1.027 62 E CA -0.317 56.060 56.400 -0.038 0.000 0.900 62 E CB 0.253 29.931 29.700 -0.037 0.000 0.993 62 E HN 0.417 nan 8.360 nan 0.000 0.482 63 N N 1.791 120.456 118.700 -0.059 0.000 2.357 63 N HA -0.095 4.645 4.740 -0.000 0.000 0.257 63 N C 0.856 176.283 175.510 -0.138 0.000 1.250 63 N CA 0.389 53.389 53.050 -0.082 0.000 0.862 63 N CB 0.660 39.105 38.487 -0.070 0.000 1.066 63 N HN 0.190 nan 8.380 nan 0.000 0.468 64 R N 2.361 122.709 120.500 -0.253 0.000 2.081 64 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 64 R C 0.126 176.108 176.300 -0.531 0.000 1.131 64 R CA 1.168 56.969 56.100 -0.497 0.000 0.960 64 R CB 0.042 29.870 30.300 -0.786 0.000 0.856 64 R HN 0.638 nan 8.270 nan 0.000 0.436 65 W N 1.829 123.095 121.300 -0.056 0.000 1.603 65 W HA 0.223 4.883 4.660 -0.000 0.000 0.392 65 W C -0.702 175.726 176.519 -0.152 0.000 0.661 65 W CA -0.781 56.508 57.345 -0.093 0.000 2.021 65 W CB 0.630 30.037 29.460 -0.089 0.000 1.759 65 W HN -0.116 nan 8.180 nan 0.000 0.334 66 T N 3.876 118.449 114.554 0.032 0.000 2.756 66 T HA 0.608 4.958 4.350 -0.000 0.000 0.290 66 T C 0.204 174.839 174.700 -0.109 0.000 0.985 66 T CA -0.565 61.514 62.100 -0.035 0.000 0.955 66 T CB 0.647 69.545 68.868 0.050 0.000 0.930 66 T HN 0.255 nan 8.240 nan 0.000 0.451 67 M N 1.747 121.169 119.600 -0.296 0.000 3.517 67 M HA 0.642 5.122 4.480 -0.000 0.000 0.293 67 M C -2.127 173.758 176.300 -0.693 0.000 1.404 67 M CA -1.239 53.598 55.300 -0.772 0.000 0.837 67 M CB 1.339 33.203 32.600 -1.228 0.000 1.756 67 M HN 0.243 nan 8.290 nan 0.000 0.474 68 L N 1.416 122.086 121.223 -0.922 0.000 2.334 68 L HA 0.770 5.110 4.340 -0.000 0.000 0.276 68 L C -0.888 175.926 176.870 -0.094 0.000 1.014 68 L CA -1.226 53.427 54.840 -0.311 0.000 0.815 68 L CB 1.996 44.062 42.059 0.011 0.000 1.268 68 L HN 0.428 nan 8.230 nan 0.000 0.428 69 V N 0.928 120.838 119.914 -0.008 0.000 2.398 69 V HA 0.190 4.309 4.120 -0.000 0.000 0.286 69 V C -0.619 175.565 176.094 0.150 0.000 1.026 69 V CA -0.689 61.663 62.300 0.087 0.000 0.868 69 V CB 1.591 33.465 31.823 0.085 0.000 0.982 69 V HN 0.603 nan 8.190 nan 0.000 0.443 70 D N 4.835 125.334 120.400 0.166 0.000 2.416 70 D HA 0.530 5.170 4.640 -0.000 0.000 0.240 70 D C 0.501 176.958 176.300 0.261 0.000 1.250 70 D CA 0.856 54.975 54.000 0.197 0.000 0.967 70 D CB 0.895 41.809 40.800 0.191 0.000 1.059 70 D HN 0.901 nan 8.370 nan 0.000 0.512 71 G N 0.354 109.280 108.800 0.209 0.000 2.325 71 G HA2 0.316 4.276 3.960 -0.000 0.000 0.297 71 G HA3 0.316 4.276 3.960 -0.000 0.000 0.297 71 G C -0.058 174.927 174.900 0.142 0.000 1.448 71 G CA -0.582 44.640 45.100 0.204 0.000 0.838 71 G HN 0.298 nan 8.290 nan 0.000 0.579 72 T N -1.291 113.332 114.554 0.115 0.000 2.640 72 T HA 0.375 4.724 4.350 -0.000 0.000 0.316 72 T C 1.866 176.605 174.700 0.065 0.000 1.036 72 T CA 0.997 63.146 62.100 0.081 0.000 1.009 72 T CB 0.606 69.516 68.868 0.071 0.000 1.017 72 T HN 0.921 nan 8.240 nan 0.000 0.530 73 S N 0.968 116.694 115.700 0.042 0.000 2.374 73 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 73 S C 2.102 176.708 174.600 0.011 0.000 1.037 73 S CA 1.681 59.892 58.200 0.018 0.000 1.024 73 S CB -0.586 62.607 63.200 -0.012 0.000 0.861 73 S HN 0.868 nan 8.310 nan 0.000 0.456 74 R N 1.513 122.025 120.500 0.020 0.000 2.276 74 R HA 0.269 4.608 4.340 -0.000 0.000 0.203 74 R C 2.095 178.356 176.300 -0.065 0.000 1.017 74 R CA 0.879 56.981 56.100 0.003 0.000 1.010 74 R CB -0.396 29.931 30.300 0.045 0.000 0.900 74 R HN 0.341 nan 8.270 nan 0.000 0.469 75 A N 1.672 124.473 122.820 -0.032 0.000 1.930 75 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 75 A C 2.442 179.855 177.584 -0.285 0.000 1.175 75 A CA 1.322 53.296 52.037 -0.105 0.000 0.627 75 A CB -1.009 18.134 19.000 0.237 0.000 0.815 75 A HN 0.511 nan 8.150 nan 0.000 0.443 76 G N 0.343 109.083 108.800 -0.100 0.000 2.421 76 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 76 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 76 G C 1.518 176.325 174.900 -0.156 0.000 1.171 76 G CA 1.151 46.193 45.100 -0.096 0.000 0.775 76 G HN 0.482 nan 8.290 nan 0.000 0.543 77 I N 0.513 121.012 120.570 -0.120 0.000 2.118 77 I HA -0.214 3.955 4.170 -0.000 0.000 0.241 77 I C 2.648 178.577 176.117 -0.313 0.000 1.070 77 I CA 1.828 63.032 61.300 -0.160 0.000 1.327 77 I CB -0.348 37.621 38.000 -0.050 0.000 1.034 77 I HN 0.270 nan 8.210 nan 0.000 0.405 78 E N 1.090 121.070 120.200 -0.366 0.000 2.077 78 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 78 E C 2.253 178.517 176.600 -0.560 0.000 0.989 78 E CA 1.364 57.482 56.400 -0.470 0.000 0.800 78 E CB -0.076 29.280 29.700 -0.573 0.000 0.746 78 E HN 0.476 nan 8.360 nan 0.000 0.452 79 A N 0.773 123.168 122.820 -0.709 0.000 1.892 79 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 79 A C 2.170 179.628 177.584 -0.210 0.000 1.188 79 A CA 1.666 53.482 52.037 -0.368 0.000 0.631 79 A CB -0.663 18.239 19.000 -0.164 0.000 0.822 79 A HN 0.359 nan 8.150 nan 0.000 0.447 80 I N -0.435 119.983 120.570 -0.252 0.000 2.286 80 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 80 I C 2.357 178.321 176.117 -0.254 0.000 1.104 80 I CA 0.849 62.002 61.300 -0.244 0.000 1.397 80 I CB -0.274 37.545 38.000 -0.301 0.000 1.072 80 I HN 0.289 nan 8.210 nan 0.000 0.417 81 L N 0.018 121.058 121.223 -0.304 0.000 2.027 81 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 81 L C 2.621 179.417 176.870 -0.125 0.000 1.074 81 L CA 1.122 55.821 54.840 -0.235 0.000 0.745 81 L CB -0.805 41.111 42.059 -0.240 0.000 0.898 81 L HN 0.116 nan 8.230 nan 0.000 0.433 82 V N -0.830 119.023 119.914 -0.102 0.000 2.490 82 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 82 V C 2.486 178.579 176.094 -0.003 0.000 1.061 82 V CA 1.823 64.115 62.300 -0.013 0.000 1.064 82 V CB -0.435 31.415 31.823 0.044 0.000 0.670 82 V HN 0.356 nan 8.190 nan 0.000 0.461 83 S N -0.031 115.643 115.700 -0.044 0.000 2.436 83 S HA 0.115 4.584 4.470 -0.000 0.000 0.228 83 S C 2.016 176.585 174.600 -0.050 0.000 1.014 83 S CA 1.050 59.221 58.200 -0.049 0.000 0.950 83 S CB -0.022 63.133 63.200 -0.075 0.000 0.784 83 S HN 0.651 nan 8.310 nan 0.000 0.504 84 A N 0.507 123.293 122.820 -0.058 0.000 2.063 84 A HA 0.415 4.735 4.320 -0.000 0.000 0.211 84 A C 0.686 178.259 177.584 -0.018 0.000 1.177 84 A CA 0.070 52.081 52.037 -0.043 0.000 0.759 84 A CB 0.028 18.993 19.000 -0.059 0.000 0.857 84 A HN 0.399 nan 8.150 nan 0.000 0.468 85 I N 1.379 121.941 120.570 -0.014 0.000 2.312 85 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 85 I C -0.252 175.891 176.117 0.044 0.000 1.008 85 I CA -0.610 60.696 61.300 0.010 0.000 1.226 85 I CB 1.346 39.344 38.000 -0.002 0.000 1.371 85 I HN 0.094 nan 8.210 nan 0.000 0.468 86 R N 6.765 127.297 120.500 0.053 0.000 2.500 86 R HA 0.414 4.753 4.340 -0.000 0.000 0.275 86 R C -2.483 173.858 176.300 0.067 0.000 1.051 86 R CA -1.582 54.572 56.100 0.090 0.000 1.088 86 R CB 0.030 30.377 30.300 0.079 0.000 1.063 86 R HN 0.256 nan 8.270 nan 0.000 0.511 87 P HA -0.011 nan 4.420 nan 0.000 0.262 87 P C 0.485 177.793 177.300 0.014 0.000 1.182 87 P CA 1.251 64.355 63.100 0.007 0.000 0.761 87 P CB 0.604 32.278 31.700 -0.044 0.000 0.795 88 G N 2.281 111.085 108.800 0.006 0.000 2.268 88 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.240 88 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.240 88 G C 0.032 174.948 174.900 0.027 0.000 1.010 88 G CA -0.284 44.824 45.100 0.014 0.000 0.618 88 G HN 0.504 nan 8.290 nan 0.000 0.516 89 D N 1.952 122.370 120.400 0.030 0.000 2.488 89 D HA 0.310 4.950 4.640 -0.000 0.000 0.238 89 D C 0.919 177.249 176.300 0.049 0.000 1.138 89 D CA 0.557 54.579 54.000 0.036 0.000 0.873 89 D CB 0.618 41.437 40.800 0.032 0.000 1.183 89 D HN 0.425 nan 8.370 nan 0.000 0.458 90 K N 0.656 121.093 120.400 0.061 0.000 2.237 90 K HA 0.472 4.791 4.320 -0.000 0.000 0.270 90 K C -0.442 176.212 176.600 0.089 0.000 1.015 90 K CA -0.541 55.808 56.287 0.104 0.000 0.949 90 K CB 1.395 33.946 32.500 0.085 0.000 0.976 90 K HN 0.100 nan 8.250 nan 0.000 0.472 91 V N 2.948 122.943 119.914 0.136 0.000 2.932 91 V HA 0.309 4.429 4.120 -0.000 0.000 0.307 91 V C -1.637 174.530 176.094 0.121 0.000 1.147 91 V CA -0.983 61.374 62.300 0.095 0.000 0.951 91 V CB 2.214 34.075 31.823 0.063 0.000 1.031 91 V HN 0.525 nan 8.190 nan 0.000 0.426 92 L N 5.693 126.959 121.223 0.073 0.000 2.356 92 L HA 0.817 5.157 4.340 -0.000 0.000 0.277 92 L C -1.012 175.881 176.870 0.038 0.000 0.996 92 L CA -0.125 54.749 54.840 0.056 0.000 0.822 92 L CB 1.926 43.983 42.059 -0.005 0.000 1.256 92 L HN 0.412 nan 8.230 nan 0.000 0.413 93 V N 6.334 126.266 119.914 0.030 0.000 2.376 93 V HA 0.453 4.573 4.120 -0.000 0.000 0.287 93 V C -2.313 173.751 176.094 -0.050 0.000 1.015 93 V CA -1.381 60.927 62.300 0.012 0.000 0.834 93 V CB 1.505 33.349 31.823 0.036 0.000 1.001 93 V HN 0.685 nan 8.190 nan 0.000 0.428 94 P HA 0.204 nan 4.420 nan 0.000 0.273 94 P C -0.310 176.986 177.300 -0.006 0.000 1.428 94 P CA -0.035 62.790 63.100 -0.459 0.000 0.995 94 P CB 0.607 31.699 31.700 -1.013 0.000 1.286 95 V N 5.482 125.515 119.914 0.198 0.000 2.455 95 V HA 0.192 4.311 4.120 -0.000 0.000 0.273 95 V C 0.796 177.189 176.094 0.498 0.000 1.045 95 V CA 0.255 62.666 62.300 0.184 0.000 0.976 95 V CB -0.391 31.435 31.823 0.006 0.000 0.993 95 V HN 0.529 nan 8.190 nan 0.000 0.475 96 F N 1.905 121.974 119.950 0.198 0.000 2.901 96 F HA 0.819 5.346 4.527 -0.000 0.000 0.329 96 F C 0.379 176.033 175.800 -0.243 0.000 1.185 96 F CA -0.080 57.982 58.000 0.102 0.000 1.114 96 F CB 0.337 39.431 39.000 0.156 0.000 1.199 96 F HN 0.619 nan 8.300 nan 0.000 0.513 97 G N 0.432 108.890 108.800 -0.570 0.000 2.349 97 G HA2 0.169 4.128 3.960 -0.000 0.000 0.294 97 G HA3 0.169 4.128 3.960 -0.000 0.000 0.294 97 G C -0.251 174.418 174.900 -0.386 0.000 1.380 97 G CA -0.522 44.020 45.100 -0.930 0.000 0.811 97 G HN 0.073 nan 8.290 nan 0.000 0.519 98 R N -0.606 119.701 120.500 -0.321 0.000 2.103 98 R HA -0.072 4.268 4.340 -0.000 0.000 0.242 98 R C 1.888 178.080 176.300 -0.180 0.000 1.142 98 R CA 2.038 58.133 56.100 -0.010 0.000 0.960 98 R CB -0.584 29.576 30.300 -0.233 0.000 0.858 98 R HN 0.460 nan 8.270 nan 0.000 0.439 99 F N -0.147 119.747 119.950 -0.094 0.000 2.558 99 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 99 F C 2.403 178.124 175.800 -0.131 0.000 1.119 99 F CA 0.896 58.842 58.000 -0.090 0.000 1.451 99 F CB -0.591 38.345 39.000 -0.106 0.000 1.091 99 F HN 0.181 nan 8.300 nan 0.000 0.563 100 G N -0.646 108.072 108.800 -0.135 0.000 2.422 100 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 100 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 100 G C 1.541 176.354 174.900 -0.144 0.000 1.140 100 G CA 0.629 45.613 45.100 -0.194 0.000 0.775 100 G HN 0.357 nan 8.290 nan 0.000 0.545 101 H N -0.348 118.747 119.070 0.041 0.000 2.395 101 H HA 0.018 4.574 4.556 -0.000 0.000 0.299 101 H C 2.517 177.862 175.328 0.029 0.000 1.070 101 H CA 1.063 57.136 56.048 0.042 0.000 1.356 101 H CB -0.425 29.362 29.762 0.042 0.000 1.401 101 H HN 0.294 nan 8.280 nan 0.000 0.524 102 L N 1.353 122.661 121.223 0.142 0.000 2.043 102 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 102 L C 2.285 179.209 176.870 0.090 0.000 1.075 102 L CA 1.350 56.257 54.840 0.113 0.000 0.752 102 L CB -0.933 41.232 42.059 0.176 0.000 0.891 102 L HN 0.124 nan 8.230 nan 0.000 0.432 103 L N -1.671 119.606 121.223 0.090 0.000 2.017 103 L HA -0.299 4.040 4.340 -0.000 0.000 0.208 103 L C 2.640 179.536 176.870 0.044 0.000 1.073 103 L CA 1.592 56.472 54.840 0.067 0.000 0.745 103 L CB -0.899 41.213 42.059 0.088 0.000 0.894 103 L HN 0.402 nan 8.230 nan 0.000 0.432 104 C N -0.414 118.919 119.300 0.055 0.000 2.413 104 C HA -0.152 4.308 4.460 -0.000 0.000 0.276 104 C C 2.777 177.787 174.990 0.035 0.000 1.236 104 C CA 0.540 59.588 59.018 0.049 0.000 1.735 104 C CB -0.743 27.043 27.740 0.076 0.000 2.031 104 C HN 0.494 nan 8.230 nan 0.000 0.474 105 E N 0.670 120.896 120.200 0.042 0.000 2.031 105 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 105 E C 2.013 178.617 176.600 0.007 0.000 0.994 105 E CA 1.263 57.677 56.400 0.023 0.000 0.800 105 E CB -0.418 29.298 29.700 0.026 0.000 0.752 105 E HN 0.654 nan 8.360 nan 0.000 0.447 106 I N 1.182 121.754 120.570 0.002 0.000 2.163 106 I HA -0.310 3.859 4.170 -0.000 0.000 0.243 106 I C 2.581 178.680 176.117 -0.029 0.000 1.085 106 I CA 1.272 62.559 61.300 -0.022 0.000 1.347 106 I CB -0.431 37.541 38.000 -0.047 0.000 1.044 106 I HN 0.019 nan 8.210 nan 0.000 0.408 107 A N 1.014 123.820 122.820 -0.023 0.000 1.883 107 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 107 A C 2.407 179.983 177.584 -0.014 0.000 1.186 107 A CA 2.184 54.208 52.037 -0.021 0.000 0.624 107 A CB -0.762 18.233 19.000 -0.008 0.000 0.822 107 A HN 0.445 nan 8.150 nan 0.000 0.444 108 R N -0.198 120.296 120.500 -0.010 0.000 2.103 108 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 108 R C 2.028 178.317 176.300 -0.018 0.000 1.142 108 R CA 1.932 58.023 56.100 -0.014 0.000 0.960 108 R CB -0.270 30.023 30.300 -0.010 0.000 0.858 108 R HN 0.516 nan 8.270 nan 0.000 0.439 109 R N -0.740 119.752 120.500 -0.014 0.000 2.275 109 R HA 0.067 4.407 4.340 -0.000 0.000 0.199 109 R C 1.557 177.851 176.300 -0.010 0.000 0.989 109 R CA 0.613 56.705 56.100 -0.013 0.000 1.016 109 R CB 0.149 30.448 30.300 -0.003 0.000 0.918 109 R HN 0.287 nan 8.270 nan 0.000 0.473 110 C N 0.332 119.626 119.300 -0.010 0.000 2.576 110 C HA 0.220 4.680 4.460 -0.000 0.000 0.267 110 C C 0.712 175.694 174.990 -0.013 0.000 1.364 110 C CA -0.297 58.721 59.018 0.001 0.000 1.723 110 C CB -1.122 26.616 27.740 -0.003 0.000 1.778 110 C HN 0.553 nan 8.230 nan 0.000 0.572 111 R N -0.723 119.759 120.500 -0.030 0.000 3.532 111 R HA -0.174 4.166 4.340 -0.000 0.000 0.284 111 R C 0.127 176.414 176.300 -0.023 0.000 1.140 111 R CA 0.430 56.505 56.100 -0.042 0.000 0.768 111 R CB -1.897 28.355 30.300 -0.080 0.000 1.252 111 R HN 0.601 nan 8.270 nan 0.000 0.454 112 A N 1.167 123.979 122.820 -0.012 0.000 2.316 112 A HA 0.328 4.648 4.320 -0.000 0.000 0.284 112 A C 0.282 177.862 177.584 -0.007 0.000 1.115 112 A CA -0.431 51.606 52.037 0.000 0.000 0.812 112 A CB 0.672 19.676 19.000 0.007 0.000 1.064 112 A HN 0.318 nan 8.150 nan 0.000 0.489 113 E N 1.878 122.082 120.200 0.006 0.000 2.070 113 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 113 E C -1.152 175.432 176.600 -0.027 0.000 1.104 113 E CA -0.306 56.079 56.400 -0.024 0.000 0.876 113 E CB 0.325 30.032 29.700 0.012 0.000 1.055 113 E HN 0.351 nan 8.360 nan 0.000 0.401 114 V N 6.737 126.598 119.914 -0.088 0.000 2.353 114 V HA 0.141 4.261 4.120 -0.000 0.000 0.264 114 V C 0.143 176.155 176.094 -0.138 0.000 1.049 114 V CA -0.529 61.741 62.300 -0.050 0.000 0.896 114 V CB 0.423 32.233 31.823 -0.021 0.000 1.025 114 V HN 0.661 nan 8.190 nan 0.000 0.475 115 H N 3.201 122.277 119.070 0.009 0.000 2.472 115 H HA 0.628 5.184 4.556 -0.000 0.000 0.335 115 H C 0.245 175.580 175.328 0.012 0.000 1.136 115 H CA -0.143 55.910 56.048 0.009 0.000 1.264 115 H CB 2.261 32.021 29.762 -0.003 0.000 1.486 115 H HN 0.714 nan 8.280 nan 0.000 0.517 116 T N 0.347 114.982 114.554 0.134 0.000 2.909 116 T HA 0.618 4.968 4.350 -0.000 0.000 0.299 116 T C -0.135 174.631 174.700 0.110 0.000 1.073 116 T CA -0.966 61.192 62.100 0.097 0.000 0.999 116 T CB 1.246 70.170 68.868 0.094 0.000 1.098 116 T HN 0.539 nan 8.240 nan 0.000 0.477 117 I N -0.753 119.881 120.570 0.107 0.000 2.693 117 I HA 0.819 4.989 4.170 -0.000 0.000 0.303 117 I C -0.746 175.607 176.117 0.393 0.000 1.025 117 I CA -1.123 60.300 61.300 0.204 0.000 1.086 117 I CB 2.246 40.362 38.000 0.194 0.000 1.268 117 I HN 0.658 nan 8.210 nan 0.000 0.440 118 E N 4.006 124.452 120.200 0.410 0.000 2.275 118 E HA 0.518 4.868 4.350 -0.000 0.000 0.270 118 E C -1.120 175.564 176.600 0.140 0.000 0.882 118 E CA -0.897 55.734 56.400 0.386 0.000 0.758 118 E CB 3.170 33.019 29.700 0.248 0.000 1.195 118 E HN 0.628 nan 8.360 nan 0.000 0.419 119 V N -0.177 119.680 119.914 -0.095 0.000 2.850 119 V HA 0.673 4.793 4.120 -0.000 0.000 0.315 119 V C -2.416 173.702 176.094 0.039 0.000 1.064 119 V CA -2.261 59.889 62.300 -0.250 0.000 0.979 119 V CB 1.152 32.554 31.823 -0.700 0.000 1.039 119 V HN 0.508 nan 8.190 nan 0.000 0.452 120 P HA 0.234 nan 4.420 nan 0.000 0.274 120 P C -1.264 176.249 177.300 0.355 0.000 1.237 120 P CA -0.244 62.980 63.100 0.205 0.000 0.793 120 P CB 0.395 32.157 31.700 0.103 0.000 0.977 121 W N 0.683 122.068 121.300 0.141 0.000 2.368 121 W HA 0.437 5.096 4.660 -0.000 0.000 0.316 121 W C 0.981 177.620 176.519 0.199 0.000 1.375 121 W CA 0.154 57.656 57.345 0.263 0.000 1.261 121 W CB -0.081 29.597 29.460 0.364 0.000 1.298 121 W HN 0.394 nan 8.180 nan 0.000 0.539 122 G N 3.392 112.210 108.800 0.029 0.000 3.039 122 G HA2 0.498 4.458 3.960 -0.000 0.000 0.329 122 G HA3 0.498 4.458 3.960 -0.000 0.000 0.329 122 G C -0.504 174.343 174.900 -0.087 0.000 1.361 122 G CA -0.513 44.615 45.100 0.047 0.000 1.088 122 G HN 0.415 nan 8.290 nan 0.000 0.501 123 E N 0.438 120.613 120.200 -0.042 0.000 2.334 123 E HA 0.674 5.023 4.350 -0.000 0.000 0.256 123 E C -0.990 175.460 176.600 -0.250 0.000 0.958 123 E CA -0.940 55.368 56.400 -0.154 0.000 0.821 123 E CB 2.985 32.583 29.700 -0.169 0.000 1.269 123 E HN 0.211 nan 8.360 nan 0.000 0.413 124 V N 0.859 120.539 119.914 -0.389 0.000 3.074 124 V HA 0.411 4.530 4.120 -0.000 0.000 0.314 124 V C -1.387 174.408 176.094 -0.498 0.000 1.117 124 V CA -0.637 61.351 62.300 -0.520 0.000 1.014 124 V CB 1.526 33.007 31.823 -0.571 0.000 1.057 124 V HN 0.457 nan 8.190 nan 0.000 0.438 125 F N 1.758 121.483 119.950 -0.375 0.000 2.396 125 F HA 0.414 4.941 4.527 -0.000 0.000 0.343 125 F C 0.973 176.646 175.800 -0.212 0.000 1.104 125 F CA 0.107 57.970 58.000 -0.228 0.000 1.161 125 F CB 1.386 40.284 39.000 -0.169 0.000 1.146 125 F HN 0.358 nan 8.300 nan 0.000 0.522 126 T N 5.056 119.623 114.554 0.022 0.000 2.910 126 T HA 0.127 4.477 4.350 -0.000 0.000 0.293 126 T C -1.599 173.109 174.700 0.013 0.000 1.015 126 T CA -1.034 61.057 62.100 -0.016 0.000 1.094 126 T CB 1.384 70.234 68.868 -0.030 0.000 0.968 126 T HN 0.340 nan 8.240 nan 0.000 0.521 127 P HA -0.099 nan 4.420 nan 0.000 0.218 127 P C 1.049 178.334 177.300 -0.025 0.000 1.148 127 P CA 0.888 63.963 63.100 -0.041 0.000 0.822 127 P CB 0.210 31.877 31.700 -0.055 0.000 0.784 128 D N -0.669 119.724 120.400 -0.011 0.000 2.084 128 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 128 D C 2.068 178.370 176.300 0.003 0.000 0.990 128 D CA 1.171 55.168 54.000 -0.004 0.000 0.826 128 D CB -0.562 40.236 40.800 -0.003 0.000 0.971 128 D HN 0.279 nan 8.370 nan 0.000 0.453 129 Q N 0.236 120.055 119.800 0.030 0.000 2.077 129 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 129 Q C 2.479 178.499 176.000 0.033 0.000 0.989 129 Q CA 1.827 57.670 55.803 0.066 0.000 0.853 129 Q CB -0.189 28.651 28.738 0.170 0.000 0.907 129 Q HN 0.358 nan 8.270 nan 0.000 0.418 130 V N -1.699 118.213 119.914 -0.004 0.000 2.453 130 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 130 V C 1.913 177.944 176.094 -0.105 0.000 1.048 130 V CA 2.066 64.311 62.300 -0.090 0.000 1.049 130 V CB -0.533 31.197 31.823 -0.155 0.000 0.672 130 V HN 0.298 nan 8.190 nan 0.000 0.457 131 E N 0.277 120.430 120.200 -0.080 0.000 2.150 131 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 131 E C 1.845 178.358 176.600 -0.144 0.000 0.985 131 E CA 1.392 57.736 56.400 -0.095 0.000 0.814 131 E CB -0.088 29.614 29.700 0.003 0.000 0.752 131 E HN 0.677 nan 8.360 nan 0.000 0.466 132 D N 0.380 120.729 120.400 -0.084 0.000 2.097 132 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 132 D C 1.804 178.037 176.300 -0.111 0.000 0.989 132 D CA 1.457 55.409 54.000 -0.080 0.000 0.827 132 D CB -0.338 40.442 40.800 -0.033 0.000 0.966 132 D HN 0.286 nan 8.370 nan 0.000 0.456 133 A N 0.564 123.324 122.820 -0.100 0.000 1.873 133 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 133 A C 2.555 180.033 177.584 -0.177 0.000 1.186 133 A CA 1.233 53.205 52.037 -0.108 0.000 0.616 133 A CB -0.791 18.164 19.000 -0.075 0.000 0.823 133 A HN 0.139 nan 8.150 nan 0.000 0.442 134 V N 0.173 119.952 119.914 -0.225 0.000 2.332 134 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 134 V C 2.471 178.302 176.094 -0.438 0.000 1.055 134 V CA 2.436 64.549 62.300 -0.312 0.000 1.038 134 V CB -0.711 30.911 31.823 -0.336 0.000 0.651 134 V HN 0.551 nan 8.190 nan 0.000 0.450 135 K N -0.464 119.629 120.400 -0.511 0.000 2.063 135 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 135 K C 2.399 178.856 176.600 -0.238 0.000 1.048 135 K CA 1.706 57.733 56.287 -0.433 0.000 0.928 135 K CB -0.222 32.103 32.500 -0.292 0.000 0.713 135 K HN 0.402 nan 8.250 nan 0.000 0.442 136 R N 0.523 120.908 120.500 -0.192 0.000 2.064 136 R HA -0.048 4.292 4.340 -0.000 0.000 0.228 136 R C 2.277 178.479 176.300 -0.163 0.000 1.144 136 R CA 1.568 57.584 56.100 -0.141 0.000 0.932 136 R CB -0.255 29.980 30.300 -0.110 0.000 0.833 136 R HN 0.286 nan 8.270 nan 0.000 0.429 137 I N -1.435 119.001 120.570 -0.223 0.000 3.883 137 I HA 0.206 4.375 4.170 -0.000 0.000 0.326 137 I C -0.352 175.617 176.117 -0.246 0.000 1.283 137 I CA 0.089 61.201 61.300 -0.312 0.000 1.161 137 I CB -0.163 37.431 38.000 -0.677 0.000 1.012 137 I HN 0.087 nan 8.210 nan 0.000 0.421 138 R N 1.752 122.139 120.500 -0.189 0.000 3.127 138 R HA -0.098 4.242 4.340 -0.000 0.000 0.247 138 R C -2.401 173.847 176.300 -0.086 0.000 0.896 138 R CA 0.528 56.554 56.100 -0.124 0.000 0.624 138 R CB -1.868 28.385 30.300 -0.078 0.000 1.154 138 R HN 0.467 nan 8.270 nan 0.000 0.474 139 P HA 0.095 nan 4.420 nan 0.000 0.276 139 P C 0.091 177.394 177.300 0.004 0.000 1.244 139 P CA -0.440 62.640 63.100 -0.033 0.000 0.801 139 P CB 0.908 32.592 31.700 -0.026 0.000 1.006 140 R N 0.596 121.111 120.500 0.024 0.000 2.090 140 R HA 0.072 4.411 4.340 -0.000 0.000 0.228 140 R C 0.260 176.590 176.300 0.050 0.000 1.110 140 R CA 0.951 57.072 56.100 0.035 0.000 0.973 140 R CB 0.044 30.364 30.300 0.033 0.000 0.869 140 R HN 0.395 nan 8.270 nan 0.000 0.440 141 L N 1.308 122.563 121.223 0.055 0.000 2.370 141 L HA 0.394 4.734 4.340 -0.000 0.000 0.266 141 L C -1.142 175.783 176.870 0.092 0.000 1.002 141 L CA -0.978 53.913 54.840 0.084 0.000 0.818 141 L CB 1.866 43.968 42.059 0.071 0.000 1.325 141 L HN 0.065 nan 8.230 nan 0.000 0.418 142 L N 4.298 125.608 121.223 0.146 0.000 2.276 142 L HA 0.480 4.820 4.340 -0.000 0.000 0.286 142 L C -0.983 176.041 176.870 0.257 0.000 1.024 142 L CA -0.018 54.908 54.840 0.145 0.000 0.826 142 L CB 0.807 42.912 42.059 0.077 0.000 1.211 142 L HN 0.407 nan 8.230 nan 0.000 0.422 143 L N 5.525 126.868 121.223 0.199 0.000 2.264 143 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 143 L C 0.173 177.173 176.870 0.217 0.000 1.039 143 L CA -0.420 54.587 54.840 0.279 0.000 0.829 143 L CB 1.029 43.207 42.059 0.198 0.000 1.211 143 L HN 0.681 nan 8.230 nan 0.000 0.427 144 T N -0.156 114.529 114.554 0.218 0.000 2.912 144 T HA 0.695 5.045 4.350 -0.000 0.000 0.288 144 T C -0.233 174.522 174.700 0.091 0.000 1.030 144 T CA -0.756 61.442 62.100 0.164 0.000 1.020 144 T CB 2.221 71.224 68.868 0.224 0.000 1.056 144 T HN 0.080 nan 8.240 nan 0.000 0.480 145 V N 3.023 123.025 119.914 0.146 0.000 2.539 145 V HA 0.317 4.436 4.120 -0.000 0.000 0.292 145 V C 1.462 177.707 176.094 0.251 0.000 1.045 145 V CA -0.489 61.867 62.300 0.094 0.000 0.945 145 V CB 1.279 33.075 31.823 -0.045 0.000 0.993 145 V HN 1.103 nan 8.190 nan 0.000 0.464 146 Q N 3.325 123.208 119.800 0.137 0.000 2.013 146 Q HA 0.162 4.502 4.340 -0.000 0.000 0.195 146 Q C 0.994 177.134 176.000 0.234 0.000 0.974 146 Q CA 1.053 56.961 55.803 0.174 0.000 0.826 146 Q CB 0.133 28.932 28.738 0.102 0.000 0.895 146 Q HN 0.890 nan 8.270 nan 0.000 0.448 147 G N 1.041 109.927 108.800 0.143 0.000 2.422 147 G HA2 0.250 4.210 3.960 -0.000 0.000 0.317 147 G HA3 0.250 4.210 3.960 -0.000 0.000 0.317 147 G C -1.703 173.253 174.900 0.095 0.000 1.210 147 G CA -0.423 44.762 45.100 0.141 0.000 0.930 147 G HN 0.205 nan 8.290 nan 0.000 0.468 148 D N 2.424 122.922 120.400 0.163 0.000 2.441 148 D HA 0.183 4.823 4.640 -0.000 0.000 0.231 148 D C 1.722 178.107 176.300 0.141 0.000 1.073 148 D CA -0.402 53.655 54.000 0.095 0.000 0.850 148 D CB 1.377 42.103 40.800 -0.125 0.000 1.062 148 D HN 0.348 nan 8.370 nan 0.000 0.524 149 T N -0.233 114.439 114.554 0.197 0.000 2.977 149 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 149 T C 1.771 176.581 174.700 0.183 0.000 1.105 149 T CA 1.203 63.423 62.100 0.201 0.000 1.116 149 T CB -0.104 68.896 68.868 0.220 0.000 0.878 149 T HN 0.286 nan 8.240 nan 0.000 0.509 150 S N 1.821 117.599 115.700 0.130 0.000 2.428 150 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 150 S C 1.992 176.545 174.600 -0.079 0.000 1.014 150 S CA 0.993 59.179 58.200 -0.023 0.000 0.957 150 S CB -0.789 62.272 63.200 -0.233 0.000 0.784 150 S HN 0.768 nan 8.310 nan 0.000 0.499 151 T N -2.584 111.944 114.554 -0.044 0.000 3.043 151 T HA 0.236 4.585 4.350 -0.000 0.000 0.272 151 T C 1.018 175.877 174.700 0.265 0.000 0.990 151 T CA 0.861 63.064 62.100 0.171 0.000 0.897 151 T CB -0.230 68.678 68.868 0.067 0.000 1.111 151 T HN 0.984 nan 8.240 nan 0.000 0.529 152 T N 0.485 115.151 114.554 0.185 0.000 6.387 152 T HA -0.204 4.145 4.350 -0.000 0.000 0.290 152 T C 0.184 174.985 174.700 0.168 0.000 1.901 152 T CA 0.895 63.101 62.100 0.176 0.000 3.035 152 T CB -2.432 66.547 68.868 0.185 0.000 1.917 152 T HN 0.443 nan 8.240 nan 0.000 1.121 153 M N 1.074 120.792 119.600 0.198 0.000 2.249 153 M HA 0.560 5.040 4.480 -0.000 0.000 0.351 153 M C 0.350 176.777 176.300 0.213 0.000 1.180 153 M CA -1.218 54.192 55.300 0.182 0.000 1.127 153 M CB 1.291 33.989 32.600 0.163 0.000 1.546 153 M HN 0.340 nan 8.290 nan 0.000 0.461 154 L N 3.520 124.819 121.223 0.127 0.000 2.305 154 L HA 0.354 4.694 4.340 -0.000 0.000 0.284 154 L C -0.588 176.294 176.870 0.020 0.000 1.013 154 L CA -0.472 54.436 54.840 0.113 0.000 0.819 154 L CB 1.559 43.681 42.059 0.106 0.000 1.227 154 L HN 0.743 nan 8.230 nan 0.000 0.417 155 Q N 7.315 127.101 119.800 -0.024 0.000 2.295 155 Q HA 0.368 4.708 4.340 -0.000 0.000 0.259 155 Q C -2.343 173.627 176.000 -0.051 0.000 0.976 155 Q CA -1.411 54.302 55.803 -0.150 0.000 0.923 155 Q CB 1.190 29.817 28.738 -0.185 0.000 1.185 155 Q HN 0.327 nan 8.270 nan 0.000 0.410 156 P HA -0.001 nan 4.420 nan 0.000 0.269 156 P C -0.533 176.661 177.300 -0.176 0.000 1.263 156 P CA 0.007 63.034 63.100 -0.121 0.000 0.813 156 P CB 0.516 32.167 31.700 -0.081 0.000 0.868 157 L N 2.875 123.937 121.223 -0.268 0.000 2.592 157 L HA 0.149 4.489 4.340 -0.000 0.000 0.227 157 L C 2.118 178.723 176.870 -0.442 0.000 1.127 157 L CA 0.743 55.489 54.840 -0.156 0.000 0.884 157 L CB -1.270 40.855 42.059 0.111 0.000 1.065 157 L HN 0.286 nan 8.230 nan 0.000 0.457 158 A N -0.583 121.711 122.820 -0.877 0.000 1.969 158 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 158 A C 2.077 179.404 177.584 -0.429 0.000 1.169 158 A CA 1.513 52.909 52.037 -1.068 0.000 0.635 158 A CB -0.169 18.298 19.000 -0.889 0.000 0.810 158 A HN 0.463 nan 8.150 nan 0.000 0.445 159 E N -1.232 118.802 120.200 -0.277 0.000 2.481 159 E HA 0.164 4.514 4.350 -0.000 0.000 0.198 159 E C 1.025 177.530 176.600 -0.158 0.000 1.027 159 E CA -0.267 56.035 56.400 -0.163 0.000 0.900 159 E CB 0.254 29.878 29.700 -0.127 0.000 0.993 159 E HN 0.372 nan 8.360 nan 0.000 0.482 160 L N -0.100 120.993 121.223 -0.216 0.000 2.270 160 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 160 L C 2.232 178.804 176.870 -0.497 0.000 1.104 160 L CA 1.314 55.935 54.840 -0.365 0.000 0.804 160 L CB -0.694 41.077 42.059 -0.481 0.000 0.937 160 L HN 0.172 nan 8.230 nan 0.000 0.450 161 G N -1.174 107.460 108.800 -0.277 0.000 2.418 161 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 161 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 161 G C 1.565 176.442 174.900 -0.038 0.000 1.158 161 G CA 0.297 45.363 45.100 -0.056 0.000 0.771 161 G HN 0.264 nan 8.290 nan 0.000 0.545 162 E N 0.319 120.496 120.200 -0.039 0.000 2.106 162 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 162 E C 2.605 179.166 176.600 -0.066 0.000 0.984 162 E CA 0.386 56.764 56.400 -0.038 0.000 0.806 162 E CB -0.141 29.540 29.700 -0.032 0.000 0.750 162 E HN 0.518 nan 8.360 nan 0.000 0.458 163 I N 0.100 120.624 120.570 -0.077 0.000 2.179 163 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 163 I C 2.523 178.671 176.117 0.052 0.000 1.088 163 I CA 0.772 62.069 61.300 -0.005 0.000 1.357 163 I CB -0.219 37.770 38.000 -0.017 0.000 1.051 163 I HN 0.128 nan 8.210 nan 0.000 0.409 164 C N 0.154 119.415 119.300 -0.065 0.000 2.429 164 C HA -0.130 4.329 4.460 -0.000 0.000 0.277 164 C C 2.924 177.928 174.990 0.024 0.000 1.262 164 C CA 0.575 59.580 59.018 -0.022 0.000 1.733 164 C CB -1.131 26.541 27.740 -0.115 0.000 2.010 164 C HN 0.436 nan 8.230 nan 0.000 0.483 165 R N 0.959 121.455 120.500 -0.006 0.000 2.092 165 R HA -0.053 4.286 4.340 -0.000 0.000 0.231 165 R C 2.361 178.620 176.300 -0.067 0.000 1.119 165 R CA 1.195 57.290 56.100 -0.009 0.000 0.970 165 R CB -0.358 29.942 30.300 0.000 0.000 0.864 165 R HN 0.555 nan 8.270 nan 0.000 0.440 166 R N -0.868 119.540 120.500 -0.153 0.000 2.092 166 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 166 R C 1.125 177.158 176.300 -0.445 0.000 1.119 166 R CA 1.449 57.334 56.100 -0.359 0.000 0.970 166 R CB -0.061 29.893 30.300 -0.578 0.000 0.864 166 R HN 0.299 nan 8.270 nan 0.000 0.440 167 Y N -0.392 119.891 120.300 -0.030 0.000 2.507 167 Y HA 0.116 4.666 4.550 -0.000 0.000 0.254 167 Y C -0.097 175.793 175.900 -0.017 0.000 1.171 167 Y CA -0.583 57.501 58.100 -0.027 0.000 1.238 167 Y CB 0.156 38.593 38.460 -0.039 0.000 1.148 167 Y HN 0.059 nan 8.280 nan 0.000 0.525 168 D N 0.679 121.126 120.400 0.079 0.000 2.689 168 D HA -0.181 4.459 4.640 -0.000 0.000 0.237 168 D C -0.189 176.157 176.300 0.077 0.000 1.148 168 D CA 0.661 54.698 54.000 0.062 0.000 0.656 168 D CB -0.759 40.068 40.800 0.046 0.000 1.050 168 D HN 0.364 nan 8.370 nan 0.000 0.426 169 A N 0.624 123.496 122.820 0.087 0.000 2.306 169 A HA 0.686 5.006 4.320 -0.000 0.000 0.314 169 A C 0.250 177.894 177.584 0.100 0.000 1.164 169 A CA -0.648 51.436 52.037 0.078 0.000 0.822 169 A CB 0.841 19.877 19.000 0.059 0.000 1.130 169 A HN 0.315 nan 8.150 nan 0.000 0.496 170 L N 1.809 123.099 121.223 0.111 0.000 2.380 170 L HA 0.306 4.646 4.340 -0.000 0.000 0.273 170 L C -0.540 176.482 176.870 0.254 0.000 1.138 170 L CA -0.125 54.806 54.840 0.151 0.000 0.832 170 L CB 0.564 42.688 42.059 0.108 0.000 1.124 170 L HN 0.688 nan 8.230 nan 0.000 0.454 171 F N 4.456 124.452 119.950 0.076 0.000 2.403 171 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 171 F C -0.737 175.137 175.800 0.123 0.000 1.119 171 F CA -1.217 56.835 58.000 0.086 0.000 1.007 171 F CB 0.711 39.751 39.000 0.067 0.000 1.194 171 F HN 0.252 nan 8.300 nan 0.000 0.443 172 Y N 4.353 124.674 120.300 0.035 0.000 2.468 172 Y HA 0.646 5.196 4.550 -0.000 0.000 0.342 172 Y C -0.997 174.770 175.900 -0.222 0.000 1.021 172 Y CA -0.453 57.551 58.100 -0.159 0.000 1.079 172 Y CB 1.920 40.348 38.460 -0.052 0.000 1.226 172 Y HN 0.589 nan 8.280 nan 0.000 0.460 173 T N 4.251 118.018 114.554 -1.312 0.000 2.912 173 T HA 0.192 4.541 4.350 -0.000 0.000 0.299 173 T C -2.001 171.978 174.700 -1.200 0.000 1.052 173 T CA -0.725 60.737 62.100 -1.063 0.000 0.996 173 T CB 0.873 69.439 68.868 -0.503 0.000 1.070 173 T HN 0.720 nan 8.240 nan 0.000 0.465 174 D N 3.166 123.179 120.400 -0.645 0.000 2.411 174 D HA 0.494 5.134 4.640 -0.000 0.000 0.225 174 D C 0.244 176.452 176.300 -0.154 0.000 1.156 174 D CA -0.527 53.324 54.000 -0.248 0.000 0.874 174 D CB 0.818 41.600 40.800 -0.030 0.000 1.034 174 D HN 0.575 nan 8.370 nan 0.000 0.502 175 A N 3.146 125.901 122.820 -0.108 0.000 2.610 175 A HA 0.137 4.457 4.320 -0.000 0.000 0.286 175 A C 1.693 179.250 177.584 -0.044 0.000 1.306 175 A CA 0.160 52.168 52.037 -0.048 0.000 0.942 175 A CB -0.456 18.544 19.000 -0.000 0.000 1.112 175 A HN 0.575 nan 8.150 nan 0.000 0.527 176 T N -2.991 111.515 114.554 -0.079 0.000 2.788 176 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 176 T C 1.710 176.356 174.700 -0.090 0.000 1.044 176 T CA 1.648 63.698 62.100 -0.083 0.000 1.139 176 T CB -0.253 68.542 68.868 -0.121 0.000 0.867 176 T HN 0.540 nan 8.240 nan 0.000 0.454 177 A N 1.229 123.980 122.820 -0.114 0.000 2.132 177 A HA 0.278 4.597 4.320 -0.000 0.000 0.213 177 A C 2.497 180.054 177.584 -0.045 0.000 1.154 177 A CA 1.132 53.121 52.037 -0.079 0.000 0.753 177 A CB -0.306 18.638 19.000 -0.094 0.000 0.826 177 A HN 0.711 nan 8.150 nan 0.000 0.469 178 S N -1.386 114.289 115.700 -0.042 0.000 2.539 178 S HA 0.267 4.737 4.470 -0.000 0.000 0.226 178 S C 0.416 174.977 174.600 -0.065 0.000 1.054 178 S CA -0.270 57.909 58.200 -0.034 0.000 0.910 178 S CB -0.628 62.582 63.200 0.017 0.000 0.818 178 S HN 0.300 nan 8.310 nan 0.000 0.490 179 L N 3.381 124.567 121.223 -0.062 0.000 2.525 179 L HA 0.482 4.821 4.340 -0.000 0.000 0.278 179 L C 1.352 178.150 176.870 -0.121 0.000 1.218 179 L CA 1.852 56.638 54.840 -0.090 0.000 0.878 179 L CB -0.163 41.830 42.059 -0.110 0.000 1.127 179 L HN 0.621 nan 8.230 nan 0.000 0.492 180 G N 2.731 111.456 108.800 -0.126 0.000 2.234 180 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 180 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 180 G C 0.747 175.524 174.900 -0.205 0.000 0.987 180 G CA 0.450 45.481 45.100 -0.115 0.000 0.625 180 G HN 1.397 nan 8.290 nan 0.000 0.532 181 G N -0.911 107.691 108.800 -0.329 0.000 3.146 181 G HA2 0.434 4.394 3.960 -0.000 0.000 0.238 181 G HA3 0.434 4.394 3.960 -0.000 0.000 0.238 181 G C 0.149 174.922 174.900 -0.212 0.000 1.022 181 G CA 0.582 45.308 45.100 -0.624 0.000 0.880 181 G HN 0.494 nan 8.290 nan 0.000 0.533 182 N N 0.233 118.874 118.700 -0.098 0.000 2.494 182 N HA 0.333 5.073 4.740 -0.000 0.000 0.270 182 N C -3.308 172.220 175.510 0.029 0.000 1.285 182 N CA -1.035 52.014 53.050 -0.001 0.000 0.812 182 N CB 2.603 41.107 38.487 0.028 0.000 1.557 182 N HN -0.236 nan 8.380 nan 0.000 0.487 183 P HA 0.152 nan 4.420 nan 0.000 0.267 183 P C -0.782 176.587 177.300 0.113 0.000 1.205 183 P CA -0.038 63.120 63.100 0.098 0.000 0.765 183 P CB 0.453 32.281 31.700 0.213 0.000 0.828 184 L N 3.225 124.361 121.223 -0.144 0.000 2.573 184 L HA 0.284 4.624 4.340 -0.000 0.000 0.260 184 L C -0.758 175.731 176.870 -0.635 0.000 0.997 184 L CA -0.087 54.554 54.840 -0.332 0.000 0.890 184 L CB 1.192 43.214 42.059 -0.062 0.000 1.179 184 L HN 0.141 nan 8.230 nan 0.000 0.439 185 E N 3.441 122.775 120.200 -1.444 0.000 1.986 185 E HA 0.239 4.589 4.350 -0.000 0.000 0.264 185 E C 0.716 176.849 176.600 -0.779 0.000 1.023 185 E CA -0.154 55.593 56.400 -1.087 0.000 0.834 185 E CB 1.120 30.064 29.700 -1.260 0.000 1.111 185 E HN 0.636 nan 8.360 nan 0.000 0.417 186 T N 1.798 116.143 114.554 -0.349 0.000 2.607 186 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 186 T C 1.000 175.639 174.700 -0.101 0.000 1.049 186 T CA 1.508 63.508 62.100 -0.167 0.000 1.162 186 T CB 0.070 68.879 68.868 -0.099 0.000 0.863 186 T HN 0.282 nan 8.240 nan 0.000 0.424 187 D N 0.427 120.765 120.400 -0.103 0.000 2.123 187 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 187 D C 2.251 178.552 176.300 0.000 0.000 0.976 187 D CA 0.487 54.462 54.000 -0.040 0.000 0.831 187 D CB -0.468 40.306 40.800 -0.042 0.000 0.974 187 D HN 0.206 nan 8.370 nan 0.000 0.469 188 V N 0.048 119.931 119.914 -0.052 0.000 2.515 188 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 188 V C 1.320 177.576 176.094 0.270 0.000 1.058 188 V CA 0.880 63.209 62.300 0.047 0.000 1.064 188 V CB -0.399 31.416 31.823 -0.014 0.000 0.675 188 V HN 0.294 nan 8.190 nan 0.000 0.461 189 W N 0.268 121.608 121.300 0.066 0.000 3.388 189 W HA 0.524 5.184 4.660 -0.000 0.000 0.324 189 W C 1.754 178.381 176.519 0.181 0.000 1.250 189 W CA -0.195 57.220 57.345 0.117 0.000 1.809 189 W CB -1.162 28.380 29.460 0.135 0.000 1.083 189 W HN 0.418 nan 8.180 nan 0.000 0.685 190 G N 1.065 110.049 108.800 0.307 0.000 2.168 190 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 190 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 190 G C 0.207 175.288 174.900 0.302 0.000 0.997 190 G CA -0.112 45.139 45.100 0.252 0.000 0.708 190 G HN 0.205 nan 8.290 nan 0.000 0.520 191 L N 0.165 121.517 121.223 0.215 0.000 2.490 191 L HA 0.244 4.584 4.340 -0.000 0.000 0.274 191 L C 1.222 178.085 176.870 -0.011 0.000 1.201 191 L CA 0.009 54.834 54.840 -0.024 0.000 0.869 191 L CB 0.541 42.456 42.059 -0.240 0.000 1.123 191 L HN 0.073 nan 8.230 nan 0.000 0.484 192 D N 1.664 122.060 120.400 -0.007 0.000 2.380 192 D HA 0.235 4.875 4.640 -0.000 0.000 0.212 192 D C 0.125 176.415 176.300 -0.018 0.000 1.021 192 D CA 0.510 54.525 54.000 0.025 0.000 0.884 192 D CB 0.792 41.646 40.800 0.090 0.000 1.001 192 D HN 0.517 nan 8.370 nan 0.000 0.506 193 A N 0.469 123.265 122.820 -0.040 0.000 2.517 193 A HA 0.582 4.902 4.320 -0.000 0.000 0.297 193 A C -1.239 176.295 177.584 -0.083 0.000 1.050 193 A CA -0.518 51.513 52.037 -0.010 0.000 0.694 193 A CB 1.747 20.825 19.000 0.130 0.000 1.277 193 A HN -0.116 nan 8.150 nan 0.000 0.400 194 V N 1.606 121.403 119.914 -0.195 0.000 2.709 194 V HA 0.786 4.906 4.120 -0.000 0.000 0.308 194 V C -0.004 176.019 176.094 -0.119 0.000 1.062 194 V CA -0.333 61.812 62.300 -0.258 0.000 0.901 194 V CB 1.995 33.634 31.823 -0.307 0.000 1.003 194 V HN 1.280 nan 8.190 nan 0.000 0.425 195 S N 2.696 118.416 115.700 0.034 0.000 2.521 195 S HA 0.970 5.440 4.470 -0.000 0.000 0.295 195 S C -0.351 174.320 174.600 0.118 0.000 1.098 195 S CA -0.080 58.191 58.200 0.118 0.000 0.999 195 S CB 2.200 65.504 63.200 0.173 0.000 1.034 195 S HN 1.401 nan 8.310 nan 0.000 0.483 196 A N 2.188 125.092 122.820 0.141 0.000 2.578 196 A HA 1.075 5.395 4.320 -0.000 0.000 0.255 196 A C 0.270 177.864 177.584 0.017 0.000 1.251 196 A CA -0.648 51.429 52.037 0.067 0.000 0.882 196 A CB 0.969 19.999 19.000 0.049 0.000 1.416 196 A HN 1.736 nan 8.150 nan 0.000 0.462 197 G N -2.387 106.411 108.800 -0.003 0.000 2.684 197 G HA2 0.486 4.446 3.960 -0.000 0.000 0.290 197 G HA3 0.486 4.446 3.960 -0.000 0.000 0.290 197 G C -0.018 174.892 174.900 0.016 0.000 1.425 197 G CA -0.410 44.692 45.100 0.003 0.000 0.822 197 G HN 0.321 nan 8.290 nan 0.000 0.482 198 M N -0.054 119.566 119.600 0.033 0.000 2.325 198 M HA 0.101 4.580 4.480 -0.000 0.000 0.265 198 M C 1.686 178.016 176.300 0.051 0.000 1.094 198 M CA 0.660 55.991 55.300 0.052 0.000 1.161 198 M CB -1.111 31.527 32.600 0.063 0.000 1.358 198 M HN 0.724 nan 8.290 nan 0.000 0.446 202 L N 1.704 122.965 121.223 0.063 0.000 2.162 202 L HA 0.378 4.718 4.340 -0.000 0.000 0.205 202 L C 1.750 178.664 176.870 0.073 0.000 1.086 202 L CA 2.720 57.597 54.840 0.061 0.000 0.778 202 L CB -0.687 41.407 42.059 0.058 0.000 0.928 202 L HN 0.587 nan 8.230 nan 0.000 0.446 203 G N -0.531 108.316 108.800 0.078 0.000 2.401 203 G HA2 0.193 4.153 3.960 -0.000 0.000 0.283 203 G HA3 0.193 4.153 3.960 -0.000 0.000 0.283 203 G C 0.525 175.446 174.900 0.035 0.000 1.117 203 G CA 0.197 45.340 45.100 0.072 0.000 1.051 203 G HN 0.940 nan 8.290 nan 0.000 0.510 204 G N -0.113 108.712 108.800 0.041 0.000 2.445 204 G HA2 0.409 4.369 3.960 -0.000 0.000 0.233 204 G HA3 0.409 4.369 3.960 -0.000 0.000 0.233 204 G C -2.230 172.702 174.900 0.053 0.000 1.308 204 G CA -0.000 45.133 45.100 0.056 0.000 1.179 204 G HN 0.907 nan 8.290 nan 0.000 0.637 205 P HA 0.537 nan 4.420 nan 0.000 0.296 205 P C 0.625 177.958 177.300 0.054 0.000 1.301 205 P CA -0.228 62.902 63.100 0.050 0.000 0.862 205 P CB 1.594 33.321 31.700 0.045 0.000 1.046 206 S N 0.922 116.655 115.700 0.055 0.000 2.573 206 S HA 0.432 4.901 4.470 -0.000 0.000 0.277 206 S C 1.133 175.767 174.600 0.057 0.000 1.346 206 S CA 0.679 58.912 58.200 0.056 0.000 1.034 206 S CB -0.218 63.016 63.200 0.058 0.000 0.879 206 S HN 0.935 nan 8.310 nan 0.000 0.528 207 G N 0.451 109.288 108.800 0.062 0.000 2.370 207 G HA2 0.046 4.006 3.960 -0.000 0.000 0.174 207 G HA3 0.046 4.006 3.960 -0.000 0.000 0.174 207 G C -0.054 174.895 174.900 0.082 0.000 1.002 207 G CA -0.006 45.136 45.100 0.069 0.000 0.730 207 G HN 1.053 nan 8.290 nan 0.000 0.497 208 T N 0.317 114.916 114.554 0.074 0.000 2.933 208 T HA 0.637 4.987 4.350 -0.000 0.000 0.305 208 T C -0.922 173.805 174.700 0.045 0.000 1.092 208 T CA 0.155 62.299 62.100 0.074 0.000 1.008 208 T CB 2.029 70.941 68.868 0.073 0.000 1.102 208 T HN 0.554 nan 8.240 nan 0.000 0.469 209 S N 3.256 118.976 115.700 0.034 0.000 2.733 209 S HA 0.570 5.040 4.470 -0.000 0.000 0.307 209 S C -2.870 171.699 174.600 -0.053 0.000 1.127 209 S CA -1.584 56.618 58.200 0.005 0.000 1.097 209 S CB 0.502 63.718 63.200 0.026 0.000 1.003 209 S HN 0.279 nan 8.310 nan 0.000 0.477 210 P HA 0.373 nan 4.420 nan 0.000 0.276 210 P C -0.664 176.682 177.300 0.077 0.000 1.235 210 P CA -0.296 62.699 63.100 -0.174 0.000 0.772 210 P CB 0.328 31.777 31.700 -0.418 0.000 0.871 211 I N -0.845 119.693 120.570 -0.053 0.000 2.785 211 I HA 0.821 4.991 4.170 -0.000 0.000 0.302 211 I C -0.812 175.081 176.117 -0.375 0.000 1.069 211 I CA -0.712 60.486 61.300 -0.170 0.000 1.045 211 I CB 2.825 40.740 38.000 -0.142 0.000 1.236 211 I HN 0.126 nan 8.210 nan 0.000 0.429 212 T N 5.604 119.792 114.554 -0.609 0.000 2.916 212 T HA 0.720 5.070 4.350 -0.000 0.000 0.298 212 T C -1.212 173.314 174.700 -0.290 0.000 1.031 212 T CA -0.500 61.292 62.100 -0.514 0.000 0.993 212 T CB 1.150 69.518 68.868 -0.833 0.000 1.045 212 T HN 0.594 nan 8.240 nan 0.000 0.454 213 L N 3.823 124.972 121.223 -0.123 0.000 2.386 213 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 213 L C 0.669 177.545 176.870 0.010 0.000 0.993 213 L CA -1.115 53.700 54.840 -0.042 0.000 0.819 213 L CB 2.236 44.294 42.059 -0.003 0.000 1.294 213 L HN 0.759 nan 8.230 nan 0.000 0.414 214 S N 1.399 117.101 115.700 0.004 0.000 2.600 214 S HA 0.376 4.846 4.470 -0.000 0.000 0.265 214 S C 1.281 175.919 174.600 0.064 0.000 1.325 214 S CA -0.015 58.199 58.200 0.023 0.000 1.002 214 S CB 1.570 64.784 63.200 0.022 0.000 0.921 214 S HN 0.743 nan 8.310 nan 0.000 0.554 215 A N 1.519 124.374 122.820 0.058 0.000 1.986 215 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 215 A C 2.303 179.930 177.584 0.071 0.000 1.171 215 A CA 1.754 53.837 52.037 0.076 0.000 0.640 215 A CB -0.831 18.197 19.000 0.046 0.000 0.811 215 A HN 0.942 nan 8.150 nan 0.000 0.451 216 R N -1.529 119.004 120.500 0.054 0.000 2.090 216 R HA -0.032 4.308 4.340 -0.000 0.000 0.228 216 R C 2.110 178.436 176.300 0.043 0.000 1.110 216 R CA 1.289 57.417 56.100 0.048 0.000 0.973 216 R CB -0.246 30.083 30.300 0.048 0.000 0.869 216 R HN 0.398 nan 8.270 nan 0.000 0.440 217 M N 1.409 121.035 119.600 0.042 0.000 2.159 217 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 217 M C 1.942 178.246 176.300 0.007 0.000 1.063 217 M CA 1.893 57.207 55.300 0.024 0.000 1.110 217 M CB -0.532 32.078 32.600 0.016 0.000 1.374 217 M HN 0.293 nan 8.290 nan 0.000 0.411 218 E N -0.811 119.409 120.200 0.032 0.000 2.152 218 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 218 E C 1.821 178.419 176.600 -0.005 0.000 0.983 218 E CA 1.095 57.494 56.400 -0.001 0.000 0.818 218 E CB -0.557 29.189 29.700 0.076 0.000 0.758 218 E HN 0.546 nan 8.360 nan 0.000 0.467 219 E N 1.048 121.263 120.200 0.025 0.000 2.058 219 E HA -0.256 4.093 4.350 -0.000 0.000 0.194 219 E C 2.099 178.699 176.600 0.000 0.000 0.997 219 E CA 1.363 57.774 56.400 0.018 0.000 0.801 219 E CB -0.188 29.529 29.700 0.028 0.000 0.746 219 E HN 0.394 nan 8.360 nan 0.000 0.450 220 A N 0.958 123.778 122.820 -0.001 0.000 1.902 220 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 220 A C 2.157 179.724 177.584 -0.028 0.000 1.181 220 A CA 1.409 53.442 52.037 -0.008 0.000 0.623 220 A CB -0.565 18.434 19.000 -0.001 0.000 0.818 220 A HN 0.316 nan 8.150 nan 0.000 0.443 221 I N -1.614 118.927 120.570 -0.047 0.000 2.353 221 I HA -0.155 4.014 4.170 -0.000 0.000 0.248 221 I C 2.615 178.681 176.117 -0.085 0.000 1.119 221 I CA 1.046 62.300 61.300 -0.078 0.000 1.417 221 I CB -0.199 37.732 38.000 -0.115 0.000 1.078 221 I HN 0.121 nan 8.210 nan 0.000 0.421 222 R N 0.921 121.377 120.500 -0.073 0.000 2.115 222 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 222 R C 2.209 178.485 176.300 -0.041 0.000 1.111 222 R CA 1.016 57.079 56.100 -0.063 0.000 0.976 222 R CB -0.343 29.934 30.300 -0.037 0.000 0.870 222 R HN 0.235 nan 8.270 nan 0.000 0.445 223 R N -0.148 120.335 120.500 -0.029 0.000 2.193 223 R HA -0.029 4.311 4.340 -0.000 0.000 0.229 223 R C 1.260 177.541 176.300 -0.031 0.000 1.110 223 R CA 0.942 57.030 56.100 -0.020 0.000 0.988 223 R CB -0.014 30.280 30.300 -0.011 0.000 0.871 223 R HN 0.111 nan 8.270 nan 0.000 0.458 224 R N 1.036 121.508 120.500 -0.047 0.000 2.334 224 R HA 0.045 4.385 4.340 -0.000 0.000 0.216 224 R C 0.208 176.463 176.300 -0.075 0.000 0.905 224 R CA -0.179 55.883 56.100 -0.063 0.000 1.064 224 R CB 0.024 30.280 30.300 -0.074 0.000 1.046 224 R HN -0.066 nan 8.270 nan 0.000 0.508 225 K N 1.463 121.823 120.400 -0.066 0.000 2.438 225 K HA -0.138 4.181 4.320 -0.000 0.000 0.270 225 K C -0.905 175.657 176.600 -0.063 0.000 1.095 225 K CA 0.603 56.849 56.287 -0.070 0.000 1.174 225 K CB 0.002 32.471 32.500 -0.052 0.000 0.830 225 K HN 0.157 nan 8.250 nan 0.000 0.487 226 C N 5.764 125.019 119.300 -0.074 0.000 2.887 226 C HA 0.368 4.828 4.460 -0.000 0.000 0.379 226 C C -1.260 173.695 174.990 -0.058 0.000 1.064 226 C CA -0.833 58.148 59.018 -0.060 0.000 1.282 226 C CB 0.142 27.836 27.740 -0.078 0.000 1.749 226 C HN 0.580 nan 8.230 nan 0.000 0.489 227 V N 5.644 125.531 119.914 -0.044 0.000 2.439 227 V HA 0.355 4.475 4.120 -0.000 0.000 0.282 227 V C 0.641 176.737 176.094 0.004 0.000 1.039 227 V CA -0.184 62.085 62.300 -0.052 0.000 0.913 227 V CB 1.505 33.240 31.823 -0.145 0.000 0.983 227 V HN 0.841 nan 8.190 nan 0.000 0.460 228 E N 3.625 123.834 120.200 0.014 0.000 2.529 228 E HA -0.064 4.286 4.350 -0.000 0.000 0.259 228 E C 1.378 178.000 176.600 0.036 0.000 0.966 228 E CA 0.719 57.135 56.400 0.026 0.000 0.937 228 E CB 1.027 30.748 29.700 0.034 0.000 0.923 228 E HN 0.900 nan 8.360 nan 0.000 0.468 229 E N 3.922 124.138 120.200 0.027 0.000 2.273 229 E HA -0.180 4.169 4.350 -0.000 0.000 0.198 229 E C 1.706 178.323 176.600 0.029 0.000 1.002 229 E CA 1.555 57.972 56.400 0.028 0.000 0.828 229 E CB -0.665 29.046 29.700 0.017 0.000 0.747 229 E HN 0.751 nan 8.360 nan 0.000 0.491 230 G N 0.785 109.599 108.800 0.024 0.000 2.403 230 G HA2 0.061 4.021 3.960 -0.000 0.000 0.216 230 G HA3 0.061 4.021 3.960 -0.000 0.000 0.216 230 G C 1.638 176.559 174.900 0.035 0.000 1.154 230 G CA 1.033 46.145 45.100 0.021 0.000 0.784 230 G HN 0.849 nan 8.290 nan 0.000 0.538 231 I N -2.336 118.268 120.570 0.055 0.000 4.025 231 I HA 0.468 4.638 4.170 -0.000 0.000 0.336 231 I C 0.793 177.014 176.117 0.174 0.000 1.390 231 I CA -0.667 60.686 61.300 0.089 0.000 1.099 231 I CB 0.259 38.307 38.000 0.080 0.000 1.049 231 I HN -0.155 nan 8.210 nan 0.000 0.394 232 R N 2.663 123.258 120.500 0.159 0.000 2.594 232 R HA 0.372 4.711 4.340 -0.000 0.000 0.272 232 R C 0.005 176.368 176.300 0.104 0.000 1.074 232 R CA 0.646 56.900 56.100 0.257 0.000 1.105 232 R CB 0.840 31.225 30.300 0.141 0.000 1.008 232 R HN 0.480 nan 8.270 nan 0.000 0.472 233 T N -0.960 113.556 114.554 -0.062 0.000 2.742 233 T HA 0.237 4.586 4.350 -0.000 0.000 0.282 233 T C 0.045 174.631 174.700 -0.190 0.000 1.025 233 T CA -0.873 61.083 62.100 -0.241 0.000 1.020 233 T CB 1.155 69.751 68.868 -0.455 0.000 1.317 233 T HN 0.503 nan 8.240 nan 0.000 0.538 234 D N 0.222 120.530 120.400 -0.153 0.000 2.363 234 D HA 0.319 4.959 4.640 -0.000 0.000 0.226 234 D C 1.609 177.845 176.300 -0.107 0.000 1.020 234 D CA 0.563 54.507 54.000 -0.094 0.000 0.892 234 D CB -0.147 40.614 40.800 -0.064 0.000 0.900 234 D HN 0.662 nan 8.370 nan 0.000 0.531 235 A N -0.283 122.409 122.820 -0.213 0.000 2.308 235 A HA 0.098 4.417 4.320 -0.000 0.000 0.217 235 A C 0.032 177.586 177.584 -0.049 0.000 1.216 235 A CA -0.135 51.808 52.037 -0.155 0.000 0.864 235 A CB -0.253 18.639 19.000 -0.180 0.000 0.902 235 A HN 0.292 nan 8.150 nan 0.000 0.499 236 H N 1.286 120.359 119.070 0.005 0.000 2.581 236 H HA 0.424 4.979 4.556 -0.000 0.000 0.308 236 H C -0.153 175.176 175.328 0.000 0.000 1.040 236 H CA -0.847 55.203 56.048 0.003 0.000 1.231 236 H CB 0.719 30.484 29.762 0.004 0.000 1.396 236 H HN 0.408 nan 8.280 nan 0.000 0.467 237 R N 2.301 122.871 120.500 0.117 0.000 2.532 237 R HA 0.322 4.662 4.340 -0.000 0.000 0.295 237 R C -1.093 175.230 176.300 0.039 0.000 0.968 237 R CA -1.044 55.092 56.100 0.060 0.000 0.916 237 R CB 1.357 31.681 30.300 0.040 0.000 1.124 237 R HN 0.402 nan 8.270 nan 0.000 0.463 238 D N 1.417 121.831 120.400 0.022 0.000 2.368 238 D HA 0.156 4.796 4.640 -0.000 0.000 0.240 238 D C 0.759 177.059 176.300 -0.001 0.000 1.169 238 D CA 0.218 54.220 54.000 0.003 0.000 0.906 238 D CB 0.911 41.709 40.800 -0.003 0.000 1.187 238 D HN 0.684 nan 8.370 nan 0.000 0.435 239 G N -1.021 107.771 108.800 -0.013 0.000 2.516 239 G HA2 0.348 4.308 3.960 -0.000 0.000 0.276 239 G HA3 0.348 4.308 3.960 -0.000 0.000 0.276 239 G C 0.763 175.660 174.900 -0.006 0.000 1.390 239 G CA 0.282 45.376 45.100 -0.011 0.000 1.050 239 G HN 0.511 nan 8.290 nan 0.000 0.519 240 D N -1.175 119.223 120.400 -0.003 0.000 2.333 240 D HA 0.245 4.885 4.640 -0.000 0.000 0.208 240 D C 0.998 177.299 176.300 0.002 0.000 0.984 240 D CA 0.893 54.894 54.000 0.002 0.000 0.873 240 D CB 0.037 40.840 40.800 0.005 0.000 0.935 240 D HN 0.516 nan 8.370 nan 0.000 0.521 241 E N -0.262 119.935 120.200 -0.004 0.000 2.281 241 E HA 0.403 4.753 4.350 -0.000 0.000 0.262 241 E C -0.292 176.299 176.600 -0.016 0.000 0.933 241 E CA -0.661 55.738 56.400 -0.002 0.000 0.809 241 E CB 1.575 31.275 29.700 0.001 0.000 1.242 241 E HN 0.580 nan 8.360 nan 0.000 0.418 242 E N 2.027 122.224 120.200 -0.006 0.000 2.418 242 E HA 0.035 4.385 4.350 -0.000 0.000 0.261 242 E C 0.056 176.582 176.600 -0.123 0.000 1.070 242 E CA -0.278 56.101 56.400 -0.034 0.000 0.931 242 E CB 0.411 30.136 29.700 0.041 0.000 0.954 242 E HN 0.423 nan 8.360 nan 0.000 0.439 243 M N 0.862 120.324 119.600 -0.230 0.000 2.219 243 M HA 0.192 4.672 4.480 -0.000 0.000 0.307 243 M C -0.293 175.730 176.300 -0.461 0.000 1.116 243 M CA 0.033 55.148 55.300 -0.307 0.000 1.181 243 M CB 0.091 32.505 32.600 -0.309 0.000 1.410 243 M HN 0.448 nan 8.290 nan 0.000 0.454 244 I N 1.633 122.026 120.570 -0.296 0.000 2.496 244 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 244 I C -0.577 175.379 176.117 -0.268 0.000 1.080 244 I CA -0.100 61.075 61.300 -0.208 0.000 1.404 244 I CB 0.254 38.208 38.000 -0.078 0.000 1.403 244 I HN 0.584 nan 8.210 nan 0.000 0.539 245 Y N 4.820 125.139 120.300 0.031 0.000 2.994 245 Y HA 0.280 4.829 4.550 -0.000 0.000 0.393 245 Y C 0.735 176.672 175.900 0.062 0.000 1.118 245 Y CA -0.017 58.105 58.100 0.037 0.000 1.906 245 Y CB -0.048 38.428 38.460 0.027 0.000 1.925 245 Y HN 0.496 nan 8.280 nan 0.000 0.446 246 S N -0.365 115.413 115.700 0.130 0.000 2.560 246 S HA 0.166 4.635 4.470 -0.000 0.000 0.283 246 S C 0.242 174.902 174.600 0.100 0.000 1.141 246 S CA -0.805 57.481 58.200 0.143 0.000 0.902 246 S CB 0.711 64.058 63.200 0.244 0.000 1.104 246 S HN 0.464 nan 8.310 nan 0.000 0.454 247 N N 2.660 121.412 118.700 0.088 0.000 2.148 247 N HA -0.017 4.723 4.740 -0.000 0.000 0.186 247 N C 1.539 177.174 175.510 0.209 0.000 1.031 247 N CA 1.555 54.670 53.050 0.109 0.000 0.848 247 N CB -0.422 38.097 38.487 0.053 0.000 1.005 247 N HN 0.681 nan 8.380 nan 0.000 0.427 248 Y N -0.485 119.769 120.300 -0.076 0.000 2.181 248 Y HA -0.037 4.512 4.550 -0.000 0.000 0.288 248 Y C 0.729 176.561 175.900 -0.113 0.000 1.146 248 Y CA 1.530 59.517 58.100 -0.189 0.000 1.164 248 Y CB -0.167 37.953 38.460 -0.567 0.000 0.982 248 Y HN 0.099 nan 8.280 nan 0.000 0.515 249 F N 0.138 120.182 119.950 0.157 0.000 2.645 249 F HA 0.134 4.661 4.527 -0.000 0.000 0.300 249 F C 0.523 176.298 175.800 -0.042 0.000 1.115 249 F CA -0.680 57.338 58.000 0.031 0.000 1.355 249 F CB -0.485 38.554 39.000 0.065 0.000 1.026 249 F HN -0.090 nan 8.300 nan 0.000 0.536 250 D N 1.583 122.032 120.400 0.080 0.000 2.348 250 D HA 0.021 4.661 4.640 -0.000 0.000 0.259 250 D C 1.268 177.479 176.300 -0.148 0.000 1.296 250 D CA 0.247 54.225 54.000 -0.036 0.000 0.931 250 D CB 0.640 41.413 40.800 -0.045 0.000 1.067 250 D HN 0.266 nan 8.370 nan 0.000 0.503 251 L N 3.273 124.421 121.223 -0.124 0.000 2.376 251 L HA -0.002 4.338 4.340 -0.000 0.000 0.219 251 L C 2.365 179.084 176.870 -0.252 0.000 1.133 251 L CA 0.600 55.333 54.840 -0.179 0.000 0.816 251 L CB -0.060 41.905 42.059 -0.156 0.000 0.933 251 L HN 0.465 nan 8.230 nan 0.000 0.449 252 G N 0.143 108.807 108.800 -0.227 0.000 2.421 252 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 252 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 252 G C 1.596 176.340 174.900 -0.261 0.000 1.171 252 G CA 0.485 45.437 45.100 -0.247 0.000 0.775 252 G HN 0.213 nan 8.290 nan 0.000 0.543 253 M N 0.083 119.526 119.600 -0.262 0.000 2.288 253 M HA 0.027 4.507 4.480 -0.000 0.000 0.266 253 M C 2.637 178.778 176.300 -0.264 0.000 1.072 253 M CA 0.530 55.671 55.300 -0.264 0.000 1.132 253 M CB -0.168 32.263 32.600 -0.281 0.000 1.386 253 M HN 0.084 nan 8.290 nan 0.000 0.432 254 V N 0.789 120.500 119.914 -0.338 0.000 2.295 254 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 254 V C 2.424 178.575 176.094 0.096 0.000 1.049 254 V CA 1.816 64.082 62.300 -0.056 0.000 1.024 254 V CB -0.604 31.169 31.823 -0.083 0.000 0.648 254 V HN 0.496 nan 8.190 nan 0.000 0.447 255 M N -0.233 119.234 119.600 -0.220 0.000 2.080 255 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 255 M C 1.985 178.152 176.300 -0.222 0.000 1.068 255 M CA 1.977 56.962 55.300 -0.524 0.000 1.109 255 M CB -0.672 31.208 32.600 -1.200 0.000 1.342 255 M HN 0.348 nan 8.290 nan 0.000 0.405 256 D N -0.768 119.558 120.400 -0.122 0.000 2.219 256 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 256 D C 1.648 178.058 176.300 0.182 0.000 0.970 256 D CA 1.137 55.157 54.000 0.033 0.000 0.851 256 D CB -0.320 40.467 40.800 -0.023 0.000 0.943 256 D HN 0.393 nan 8.370 nan 0.000 0.488 257 Y N -0.297 120.053 120.300 0.082 0.000 2.184 257 Y HA -0.127 4.422 4.550 -0.000 0.000 0.290 257 Y C 1.630 177.572 175.900 0.070 0.000 1.129 257 Y CA 1.095 59.239 58.100 0.074 0.000 1.144 257 Y CB -0.572 37.911 38.460 0.038 0.000 0.995 257 Y HN -0.089 nan 8.280 nan 0.000 0.513 258 W N 0.978 122.262 121.300 -0.026 0.000 2.678 258 W HA 0.210 4.870 4.660 -0.000 0.000 0.256 258 W C 1.728 178.326 176.519 0.132 0.000 1.280 258 W CA 0.855 58.184 57.345 -0.027 0.000 1.345 258 W CB -0.802 28.728 29.460 0.116 0.000 1.118 258 W HN 0.097 nan 8.180 nan 0.000 0.629 259 G N 0.817 109.876 108.800 0.432 0.000 2.588 259 G HA2 0.132 4.092 3.960 -0.000 0.000 0.278 259 G HA3 0.132 4.092 3.960 -0.000 0.000 0.278 259 G C -1.376 173.654 174.900 0.217 0.000 1.307 259 G CA -0.672 44.685 45.100 0.429 0.000 1.016 259 G HN -0.158 nan 8.290 nan 0.000 0.503 260 P HA 0.025 nan 4.420 nan 0.000 0.222 260 P C 1.436 178.797 177.300 0.102 0.000 1.147 260 P CA 1.837 65.004 63.100 0.112 0.000 0.790 260 P CB 0.071 31.828 31.700 0.095 0.000 0.780 261 E N 0.561 120.835 120.200 0.122 0.000 2.274 261 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 261 E C 1.153 177.822 176.600 0.115 0.000 0.996 261 E CA 0.306 56.770 56.400 0.108 0.000 0.840 261 E CB -0.907 28.862 29.700 0.116 0.000 0.772 261 E HN 0.048 nan 8.360 nan 0.000 0.491 262 R N -0.685 119.902 120.500 0.145 0.000 3.516 262 R HA -0.131 4.208 4.340 -0.000 0.000 0.271 262 R C 0.400 176.899 176.300 0.333 0.000 1.098 262 R CA 0.665 56.900 56.100 0.224 0.000 0.732 262 R CB -2.845 27.619 30.300 0.274 0.000 1.152 262 R HN 0.537 nan 8.270 nan 0.000 0.455 263 L N 1.788 123.168 121.223 0.263 0.000 2.601 263 L HA 0.012 4.352 4.340 -0.000 0.000 0.277 263 L C 0.667 177.723 176.870 0.311 0.000 1.219 263 L CA 0.703 55.676 54.840 0.221 0.000 0.915 263 L CB 0.301 42.434 42.059 0.123 0.000 1.160 263 L HN 0.112 nan 8.230 nan 0.000 0.494 264 N N 4.534 123.363 118.700 0.215 0.000 2.671 264 N HA -0.035 4.705 4.740 -0.000 0.000 0.274 264 N C 0.968 176.465 175.510 -0.022 0.000 1.188 264 N CA 0.186 53.326 53.050 0.150 0.000 1.065 264 N CB -0.099 38.481 38.487 0.154 0.000 1.415 264 N HN 0.651 nan 8.380 nan 0.000 0.511 265 H N 1.759 120.637 119.070 -0.320 0.000 2.329 265 H HA -0.017 4.539 4.556 -0.000 0.000 0.306 265 H C -0.118 175.087 175.328 -0.205 0.000 1.062 265 H CA 1.210 57.114 56.048 -0.240 0.000 1.364 265 H CB 0.482 30.144 29.762 -0.167 0.000 1.409 265 H HN 0.695 nan 8.280 nan 0.000 0.519 266 H N -1.722 117.002 119.070 -0.576 0.000 3.014 266 H HA 0.179 4.735 4.556 -0.000 0.000 0.337 266 H C -1.132 173.955 175.328 -0.402 0.000 1.320 266 H CA -0.683 55.116 56.048 -0.415 0.000 1.128 266 H CB 0.699 30.272 29.762 -0.315 0.000 1.862 266 H HN -0.078 nan 8.280 nan 0.000 0.536 267 T N 2.101 116.555 114.554 -0.166 0.000 2.743 267 T HA 0.048 4.397 4.350 -0.000 0.000 0.290 267 T C 0.430 175.118 174.700 -0.021 0.000 0.908 267 T CA -0.149 61.867 62.100 -0.140 0.000 1.092 267 T CB 0.088 68.929 68.868 -0.045 0.000 0.882 267 T HN 0.464 nan 8.240 nan 0.000 0.531 268 E N 3.015 123.148 120.200 -0.112 0.000 2.529 268 E HA 0.226 4.576 4.350 -0.000 0.000 0.259 268 E C 0.221 176.847 176.600 0.044 0.000 0.966 268 E CA -0.188 56.249 56.400 0.062 0.000 0.937 268 E CB 0.260 29.947 29.700 -0.020 0.000 0.923 268 E HN 0.691 nan 8.360 nan 0.000 0.468 269 A N 4.830 127.716 122.820 0.111 0.000 2.526 269 A HA 0.019 4.339 4.320 -0.000 0.000 0.287 269 A C 1.236 178.757 177.584 -0.105 0.000 1.232 269 A CA 0.546 52.598 52.037 0.025 0.000 0.900 269 A CB -0.506 18.535 19.000 0.069 0.000 1.077 269 A HN 0.825 nan 8.150 nan 0.000 0.535 270 T N 2.265 116.701 114.554 -0.197 0.000 2.635 270 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 270 T C 1.993 176.229 174.700 -0.773 0.000 1.040 270 T CA 2.447 64.275 62.100 -0.453 0.000 1.156 270 T CB -0.249 68.413 68.868 -0.343 0.000 0.863 270 T HN 0.687 nan 8.240 nan 0.000 0.430 271 T N 1.616 115.921 114.554 -0.415 0.000 2.857 271 T HA 0.120 4.470 4.350 -0.000 0.000 0.266 271 T C 2.405 177.022 174.700 -0.137 0.000 1.048 271 T CA 0.972 62.911 62.100 -0.269 0.000 1.139 271 T CB -0.463 68.363 68.868 -0.069 0.000 0.874 271 T HN 0.427 nan 8.240 nan 0.000 0.455 272 A N 0.999 123.768 122.820 -0.085 0.000 1.969 272 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 272 A C 2.228 179.833 177.584 0.035 0.000 1.169 272 A CA 0.975 53.016 52.037 0.007 0.000 0.635 272 A CB -0.729 18.296 19.000 0.042 0.000 0.810 272 A HN 0.480 nan 8.150 nan 0.000 0.445 273 L N -1.475 119.729 121.223 -0.033 0.000 2.046 273 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 273 L C 2.234 179.191 176.870 0.147 0.000 1.077 273 L CA 1.648 56.521 54.840 0.055 0.000 0.747 273 L CB -0.330 41.717 42.059 -0.020 0.000 0.896 273 L HN 0.342 nan 8.230 nan 0.000 0.432 274 F N 0.272 120.213 119.950 -0.015 0.000 2.161 274 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 274 F C 2.499 178.279 175.800 -0.034 0.000 1.089 274 F CA 0.896 58.845 58.000 -0.086 0.000 1.282 274 F CB -1.839 37.098 39.000 -0.104 0.000 1.010 274 F HN 0.159 nan 8.300 nan 0.000 0.485 275 G N -0.638 108.275 108.800 0.189 0.000 2.402 275 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 275 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 275 G C 1.911 176.887 174.900 0.127 0.000 1.162 275 G CA 0.889 46.062 45.100 0.121 0.000 0.777 275 G HN 0.451 nan 8.290 nan 0.000 0.539 276 A N 0.596 123.518 122.820 0.170 0.000 1.930 276 A HA 0.050 4.369 4.320 -0.000 0.000 0.217 276 A C 2.297 180.046 177.584 0.274 0.000 1.175 276 A CA 1.715 53.906 52.037 0.257 0.000 0.627 276 A CB -0.446 18.720 19.000 0.277 0.000 0.815 276 A HN 0.346 nan 8.150 nan 0.000 0.443 277 R N -0.419 120.212 120.500 0.218 0.000 2.083 277 R HA -0.174 4.165 4.340 -0.000 0.000 0.237 277 R C 1.939 178.254 176.300 0.024 0.000 1.137 277 R CA 1.739 57.914 56.100 0.126 0.000 0.951 277 R CB -0.226 30.141 30.300 0.112 0.000 0.851 277 R HN 0.459 nan 8.270 nan 0.000 0.434 278 E N 0.333 120.553 120.200 0.033 0.000 2.051 278 E HA -0.179 4.170 4.350 -0.000 0.000 0.192 278 E C 2.147 178.738 176.600 -0.015 0.000 0.991 278 E CA 1.312 57.711 56.400 -0.002 0.000 0.799 278 E CB -0.500 29.201 29.700 0.002 0.000 0.748 278 E HN 0.433 nan 8.360 nan 0.000 0.449 279 C N 0.770 120.078 119.300 0.012 0.000 2.393 279 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 279 C C 2.867 177.807 174.990 -0.084 0.000 1.215 279 C CA 1.210 60.230 59.018 0.003 0.000 1.743 279 C CB -1.145 26.638 27.740 0.072 0.000 2.044 279 C HN 0.510 nan 8.230 nan 0.000 0.464 280 A N -0.132 122.558 122.820 -0.217 0.000 1.898 280 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 280 A C 2.238 179.677 177.584 -0.242 0.000 1.181 280 A CA 1.727 53.501 52.037 -0.438 0.000 0.620 280 A CB -0.625 17.763 19.000 -1.021 0.000 0.819 280 A HN 0.653 nan 8.150 nan 0.000 0.442 281 R N -0.324 120.084 120.500 -0.153 0.000 2.073 281 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 281 R C 1.992 178.259 176.300 -0.056 0.000 1.134 281 R CA 1.629 57.678 56.100 -0.085 0.000 0.952 281 R CB -0.402 29.869 30.300 -0.048 0.000 0.850 281 R HN 0.537 nan 8.270 nan 0.000 0.433 282 L N 0.181 121.378 121.223 -0.044 0.000 2.046 282 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 282 L C 2.446 179.312 176.870 -0.006 0.000 1.077 282 L CA 1.160 55.991 54.840 -0.016 0.000 0.747 282 L CB -0.392 41.664 42.059 -0.004 0.000 0.896 282 L HN 0.263 nan 8.230 nan 0.000 0.432 283 I N -0.107 120.448 120.570 -0.024 0.000 2.208 283 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 283 I C 2.345 178.456 176.117 -0.009 0.000 1.097 283 I CA 1.492 62.785 61.300 -0.012 0.000 1.363 283 I CB -0.149 37.821 38.000 -0.051 0.000 1.051 283 I HN 0.227 nan 8.210 nan 0.000 0.413 284 L N -0.424 120.774 121.223 -0.042 0.000 2.240 284 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 284 L C 2.482 179.355 176.870 0.005 0.000 1.106 284 L CA 0.836 55.659 54.840 -0.028 0.000 0.793 284 L CB -0.494 41.529 42.059 -0.060 0.000 0.927 284 L HN 0.299 nan 8.230 nan 0.000 0.446 285 Q N -0.086 119.716 119.800 0.004 0.000 2.079 285 Q HA -0.235 4.104 4.340 -0.000 0.000 0.200 285 Q C 2.113 178.136 176.000 0.038 0.000 0.974 285 Q CA 1.450 57.263 55.803 0.016 0.000 0.840 285 Q CB 0.026 28.767 28.738 0.005 0.000 0.898 285 Q HN 0.442 nan 8.270 nan 0.000 0.430 286 E N -0.330 119.899 120.200 0.048 0.000 2.152 286 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 286 E C -0.016 176.700 176.600 0.193 0.000 0.983 286 E CA 0.690 57.133 56.400 0.072 0.000 0.818 286 E CB 0.242 29.985 29.700 0.071 0.000 0.758 286 E HN 0.345 nan 8.360 nan 0.000 0.467 287 G N 0.643 109.540 108.800 0.162 0.000 3.209 287 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 287 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 287 G C 0.022 174.995 174.900 0.120 0.000 1.065 287 G CA -0.057 45.148 45.100 0.174 0.000 0.812 287 G HN 0.188 nan 8.290 nan 0.000 0.573 288 L N 1.530 122.769 121.223 0.026 0.000 2.017 288 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 288 L C 2.434 179.309 176.870 0.008 0.000 1.073 288 L CA 2.969 57.811 54.840 0.004 0.000 0.745 288 L CB -0.403 41.631 42.059 -0.042 0.000 0.894 288 L HN 0.693 nan 8.230 nan 0.000 0.432 289 D N -1.552 118.814 120.400 -0.056 0.000 2.123 289 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 289 D C 2.146 178.432 176.300 -0.022 0.000 0.992 289 D CA 1.427 55.376 54.000 -0.084 0.000 0.833 289 D CB -0.267 40.421 40.800 -0.187 0.000 0.954 289 D HN 0.356 nan 8.370 nan 0.000 0.455 290 Y N 1.200 121.515 120.300 0.025 0.000 2.165 290 Y HA -0.088 4.462 4.550 -0.000 0.000 0.286 290 Y C 2.654 178.590 175.900 0.059 0.000 1.155 290 Y CA 1.219 59.339 58.100 0.033 0.000 1.164 290 Y CB -0.962 37.514 38.460 0.025 0.000 0.978 290 Y HN -0.004 nan 8.280 nan 0.000 0.513 291 G N -0.191 108.753 108.800 0.241 0.000 2.418 291 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 291 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 291 G C 1.769 176.849 174.900 0.301 0.000 1.158 291 G CA 1.163 46.404 45.100 0.235 0.000 0.771 291 G HN 0.399 nan 8.290 nan 0.000 0.545 292 I N 1.501 122.181 120.570 0.183 0.000 2.163 292 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 292 I C 3.286 179.502 176.117 0.165 0.000 1.085 292 I CA 1.104 62.491 61.300 0.145 0.000 1.347 292 I CB -0.226 37.810 38.000 0.060 0.000 1.044 292 I HN 0.237 nan 8.210 nan 0.000 0.408 293 A N 0.581 123.480 122.820 0.132 0.000 1.933 293 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 293 A C 2.442 180.077 177.584 0.084 0.000 1.175 293 A CA 1.729 53.828 52.037 0.103 0.000 0.628 293 A CB -0.647 18.417 19.000 0.107 0.000 0.814 293 A HN 0.372 nan 8.150 nan 0.000 0.444 294 R N -1.276 119.292 120.500 0.113 0.000 2.092 294 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 294 R C 2.031 178.361 176.300 0.050 0.000 1.119 294 R CA 1.513 57.643 56.100 0.051 0.000 0.970 294 R CB -0.408 29.949 30.300 0.094 0.000 0.864 294 R HN 0.699 nan 8.270 nan 0.000 0.440 295 H N -0.125 119.013 119.070 0.115 0.000 2.423 295 H HA -0.091 4.464 4.556 -0.000 0.000 0.297 295 H C 1.888 177.264 175.328 0.079 0.000 1.075 295 H CA 1.351 57.471 56.048 0.120 0.000 1.342 295 H CB 0.184 30.001 29.762 0.092 0.000 1.395 295 H HN 0.227 nan 8.280 nan 0.000 0.530 296 K N 0.775 121.265 120.400 0.152 0.000 2.031 296 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 296 K C 2.265 178.886 176.600 0.036 0.000 1.049 296 K CA 0.609 56.947 56.287 0.084 0.000 0.939 296 K CB -0.091 32.449 32.500 0.066 0.000 0.717 296 K HN 0.039 nan 8.250 nan 0.000 0.438 297 L N 1.376 122.574 121.223 -0.042 0.000 2.013 297 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 297 L C 2.116 178.924 176.870 -0.102 0.000 1.073 297 L CA 1.978 56.748 54.840 -0.117 0.000 0.753 297 L CB -0.576 41.299 42.059 -0.307 0.000 0.890 297 L HN 0.330 nan 8.230 nan 0.000 0.432 298 H N -1.098 118.044 119.070 0.119 0.000 2.482 298 H HA 0.175 4.731 4.556 -0.000 0.000 0.286 298 H C 2.099 177.451 175.328 0.039 0.000 1.017 298 H CA 0.844 56.956 56.048 0.107 0.000 1.322 298 H CB -0.528 29.285 29.762 0.085 0.000 1.426 298 H HN 0.508 nan 8.280 nan 0.000 0.546 299 G N 1.457 110.336 108.800 0.131 0.000 2.433 299 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 299 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 299 G C 1.272 176.167 174.900 -0.009 0.000 1.186 299 G CA 0.874 46.021 45.100 0.078 0.000 0.779 299 G HN 0.288 nan 8.290 nan 0.000 0.543 300 D N 1.012 121.377 120.400 -0.059 0.000 2.144 300 D HA -0.008 4.632 4.640 -0.000 0.000 0.199 300 D C 2.793 178.817 176.300 -0.461 0.000 0.984 300 D CA 1.176 55.042 54.000 -0.222 0.000 0.834 300 D CB -0.511 40.166 40.800 -0.205 0.000 0.955 300 D HN 0.299 nan 8.370 nan 0.000 0.465 301 A N 0.578 123.144 122.820 -0.423 0.000 1.933 301 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 301 A C 2.152 179.607 177.584 -0.215 0.000 1.175 301 A CA 1.031 52.812 52.037 -0.426 0.000 0.628 301 A CB -0.685 18.083 19.000 -0.388 0.000 0.814 301 A HN 0.253 nan 8.150 nan 0.000 0.444 302 L N -0.107 121.055 121.223 -0.101 0.000 2.056 302 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 302 L C 2.396 179.227 176.870 -0.064 0.000 1.078 302 L CA 1.811 56.621 54.840 -0.051 0.000 0.749 302 L CB -0.448 41.608 42.059 -0.005 0.000 0.901 302 L HN 0.161 nan 8.230 nan 0.000 0.433 303 V N -0.015 119.850 119.914 -0.083 0.000 2.282 303 V HA -0.363 3.756 4.120 -0.000 0.000 0.249 303 V C 2.576 178.624 176.094 -0.076 0.000 1.057 303 V CA 2.341 64.602 62.300 -0.065 0.000 1.032 303 V CB -0.848 30.929 31.823 -0.076 0.000 0.645 303 V HN 0.470 nan 8.190 nan 0.000 0.447 304 K N 0.205 120.519 120.400 -0.143 0.000 2.057 304 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 304 K C 2.312 178.880 176.600 -0.053 0.000 1.050 304 K CA 1.382 57.600 56.287 -0.114 0.000 0.935 304 K CB -0.656 31.731 32.500 -0.188 0.000 0.715 304 K HN 0.558 nan 8.250 nan 0.000 0.439 305 G N 2.082 110.848 108.800 -0.057 0.000 2.433 305 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 305 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 305 G C 1.470 176.373 174.900 0.004 0.000 1.186 305 G CA 0.492 45.580 45.100 -0.019 0.000 0.779 305 G HN 0.044 nan 8.290 nan 0.000 0.543 306 I N 0.959 121.530 120.570 0.001 0.000 2.194 306 I HA -0.216 3.954 4.170 -0.000 0.000 0.246 306 I C 2.825 178.973 176.117 0.051 0.000 1.093 306 I CA 1.346 62.664 61.300 0.030 0.000 1.355 306 I CB -1.221 36.799 38.000 0.034 0.000 1.046 306 I HN 0.335 nan 8.210 nan 0.000 0.413 307 Q N 0.165 119.984 119.800 0.033 0.000 2.119 307 Q HA -0.099 4.240 4.340 -0.000 0.000 0.201 307 Q C 2.275 178.305 176.000 0.050 0.000 0.972 307 Q CA 1.762 57.589 55.803 0.040 0.000 0.847 307 Q CB -0.186 28.562 28.738 0.018 0.000 0.903 307 Q HN 0.554 nan 8.270 nan 0.000 0.433 308 A N 0.178 123.024 122.820 0.043 0.000 2.119 308 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 308 A C 1.784 179.409 177.584 0.068 0.000 1.152 308 A CA 0.491 52.558 52.037 0.050 0.000 0.708 308 A CB -0.277 18.751 19.000 0.046 0.000 0.805 308 A HN 0.333 nan 8.150 nan 0.000 0.460 309 M N -0.872 118.778 119.600 0.084 0.000 2.659 309 M HA 0.142 4.622 4.480 -0.000 0.000 0.243 309 M C 1.134 177.548 176.300 0.190 0.000 1.111 309 M CA 0.920 56.294 55.300 0.123 0.000 1.070 309 M CB 0.032 32.704 32.600 0.120 0.000 1.525 309 M HN 0.607 nan 8.290 nan 0.000 0.517 310 G N 1.672 110.564 108.800 0.154 0.000 2.171 310 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.238 310 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.238 310 G C -0.382 174.665 174.900 0.246 0.000 1.039 310 G CA -0.134 45.076 45.100 0.183 0.000 0.759 310 G HN 0.448 nan 8.290 nan 0.000 0.501 311 L N -0.090 121.239 121.223 0.176 0.000 2.334 311 L HA 0.584 4.924 4.340 -0.000 0.000 0.276 311 L C 0.607 177.535 176.870 0.098 0.000 1.014 311 L CA -1.071 53.850 54.840 0.135 0.000 0.815 311 L CB 1.485 43.617 42.059 0.122 0.000 1.268 311 L HN 0.201 nan 8.230 nan 0.000 0.428 312 E N 0.614 120.862 120.200 0.080 0.000 2.374 312 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 312 E C -0.281 176.371 176.600 0.087 0.000 1.101 312 E CA -0.365 56.078 56.400 0.072 0.000 0.907 312 E CB 1.084 30.820 29.700 0.061 0.000 1.014 312 E HN 0.617 nan 8.360 nan 0.000 0.427 313 T N -1.110 113.498 114.554 0.089 0.000 2.950 313 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 313 T C -0.769 174.032 174.700 0.168 0.000 1.035 313 T CA -0.809 61.363 62.100 0.121 0.000 1.028 313 T CB 0.761 69.680 68.868 0.086 0.000 1.109 313 T HN 0.330 nan 8.240 nan 0.000 0.514 314 F N 0.509 120.486 119.950 0.045 0.000 2.458 314 F HA 0.647 5.173 4.527 -0.000 0.000 0.330 314 F C 0.645 176.482 175.800 0.061 0.000 1.082 314 F CA 0.818 58.850 58.000 0.053 0.000 0.995 314 F CB 0.989 40.027 39.000 0.063 0.000 1.170 314 F HN 1.334 nan 8.300 nan 0.000 0.478 315 G N 3.795 112.096 108.800 -0.832 0.000 2.746 315 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.685 315 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.685 315 G C -1.421 173.341 174.900 -0.231 0.000 1.350 315 G CA -0.504 44.270 45.100 -0.543 0.000 0.837 315 G HN 1.001 nan 8.290 nan 0.000 0.564 316 D N 0.218 120.530 120.400 -0.147 0.000 2.344 316 D HA 0.381 5.021 4.640 -0.000 0.000 0.253 316 D C 1.931 178.235 176.300 0.007 0.000 1.255 316 D CA -0.338 53.631 54.000 -0.052 0.000 0.894 316 D CB 0.329 41.115 40.800 -0.023 0.000 1.067 316 D HN 0.465 nan 8.370 nan 0.000 0.492 317 L N 3.411 124.631 121.223 -0.005 0.000 2.187 317 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 317 L C 2.237 179.098 176.870 -0.015 0.000 1.100 317 L CA 0.895 55.734 54.840 -0.001 0.000 0.765 317 L CB -0.316 41.737 42.059 -0.009 0.000 0.904 317 L HN 0.462 nan 8.230 nan 0.000 0.437 318 K N -0.495 119.893 120.400 -0.021 0.000 2.152 318 K HA -0.171 4.148 4.320 -0.000 0.000 0.206 318 K C 0.763 177.170 176.600 -0.322 0.000 1.048 318 K CA 1.326 57.528 56.287 -0.143 0.000 0.933 318 K CB -0.116 32.313 32.500 -0.118 0.000 0.721 318 K HN 0.459 nan 8.250 nan 0.000 0.447 319 H N -0.803 118.245 119.070 -0.037 0.000 2.567 319 H HA 0.202 4.758 4.556 -0.000 0.000 0.267 319 H C -0.659 174.662 175.328 -0.012 0.000 1.148 319 H CA -0.391 55.635 56.048 -0.036 0.000 1.031 319 H CB 0.488 30.208 29.762 -0.070 0.000 1.691 319 H HN -0.078 nan 8.280 nan 0.000 0.588 320 K N 1.304 121.746 120.400 0.071 0.000 2.295 320 K HA 0.160 4.480 4.320 -0.000 0.000 0.270 320 K C 0.013 176.656 176.600 0.072 0.000 1.011 320 K CA -0.358 55.974 56.287 0.074 0.000 0.953 320 K CB 0.659 33.193 32.500 0.056 0.000 0.956 320 K HN 0.176 nan 8.250 nan 0.000 0.477 321 M N 3.251 122.905 119.600 0.090 0.000 2.248 321 M HA -0.056 4.423 4.480 -0.000 0.000 0.337 321 M C 1.177 177.524 176.300 0.078 0.000 1.121 321 M CA -0.030 55.321 55.300 0.084 0.000 1.155 321 M CB 0.371 33.027 32.600 0.092 0.000 1.514 321 M HN 0.621 nan 8.290 nan 0.000 0.452 322 N N 1.741 120.487 118.700 0.076 0.000 2.364 322 N HA -0.118 4.621 4.740 -0.000 0.000 0.183 322 N C 0.779 176.371 175.510 0.138 0.000 1.022 322 N CA 1.049 54.158 53.050 0.099 0.000 0.883 322 N CB -0.158 38.397 38.487 0.113 0.000 0.965 322 N HN 0.634 nan 8.380 nan 0.000 0.438 323 N N -0.629 118.148 118.700 0.128 0.000 2.184 323 N HA 0.032 4.772 4.740 -0.000 0.000 0.206 323 N C -0.275 175.313 175.510 0.129 0.000 1.151 323 N CA 0.023 53.173 53.050 0.167 0.000 0.878 323 N CB 0.699 39.285 38.487 0.165 0.000 1.014 323 N HN -0.164 nan 8.380 nan 0.000 0.512 324 V N 0.651 120.631 119.914 0.111 0.000 3.007 324 V HA 0.561 4.681 4.120 -0.000 0.000 0.311 324 V C -0.811 175.348 176.094 0.109 0.000 1.120 324 V CA -0.930 61.435 62.300 0.109 0.000 0.980 324 V CB 2.973 34.866 31.823 0.116 0.000 1.033 324 V HN 0.069 nan 8.190 nan 0.000 0.429 325 L N 1.797 123.087 121.223 0.111 0.000 2.470 325 L HA 0.755 5.094 4.340 -0.000 0.000 0.268 325 L C 0.118 177.075 176.870 0.144 0.000 0.964 325 L CA -0.283 54.627 54.840 0.116 0.000 0.839 325 L CB 1.974 44.086 42.059 0.087 0.000 1.276 325 L HN 0.920 nan 8.230 nan 0.000 0.403 326 G N 3.851 112.761 108.800 0.183 0.000 2.333 326 G HA2 0.500 4.460 3.960 -0.000 0.000 0.290 326 G HA3 0.500 4.460 3.960 -0.000 0.000 0.290 326 G C -0.808 174.210 174.900 0.197 0.000 1.150 326 G CA -0.220 45.004 45.100 0.206 0.000 0.895 326 G HN 0.322 nan 8.290 nan 0.000 0.444 327 V N 3.964 123.990 119.914 0.187 0.000 2.378 327 V HA 0.183 4.303 4.120 -0.000 0.000 0.288 327 V C 0.367 176.516 176.094 0.091 0.000 1.016 327 V CA -0.798 61.621 62.300 0.199 0.000 0.840 327 V CB 1.461 33.472 31.823 0.313 0.000 0.994 327 V HN 0.567 nan 8.190 nan 0.000 0.431 328 V N 6.289 126.222 119.914 0.031 0.000 2.585 328 V HA 0.137 4.257 4.120 -0.000 0.000 0.296 328 V C 0.516 176.448 176.094 -0.270 0.000 1.035 328 V CA 0.041 62.278 62.300 -0.106 0.000 1.084 328 V CB 0.569 32.381 31.823 -0.019 0.000 0.953 328 V HN 0.629 nan 8.190 nan 0.000 0.483 329 I N 7.702 127.941 120.570 -0.552 0.000 2.533 329 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 329 I C -1.010 174.865 176.117 -0.405 0.000 1.109 329 I CA -1.305 59.524 61.300 -0.784 0.000 1.412 329 I CB 0.828 38.227 38.000 -1.002 0.000 1.396 329 I HN 0.514 nan 8.210 nan 0.000 0.543 330 P HA -0.185 nan 4.420 nan 0.000 0.218 330 P C -0.672 176.550 177.300 -0.131 0.000 1.146 330 P CA 1.012 63.936 63.100 -0.293 0.000 0.820 330 P CB 0.059 31.359 31.700 -0.667 0.000 0.778 331 Q N -3.685 116.030 119.800 -0.142 0.000 2.554 331 Q HA 0.072 4.412 4.340 -0.000 0.000 0.224 331 Q C 0.757 176.747 176.000 -0.016 0.000 1.291 331 Q CA 0.376 56.136 55.803 -0.072 0.000 0.526 331 Q CB -1.763 26.952 28.738 -0.039 0.000 0.663 331 Q HN 0.344 nan 8.270 nan 0.000 0.319 332 G N -0.658 108.130 108.800 -0.020 0.000 2.424 332 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.207 332 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.207 332 G C 0.462 175.366 174.900 0.008 0.000 1.061 332 G CA -0.274 44.835 45.100 0.016 0.000 0.657 332 G HN 1.579 nan 8.290 nan 0.000 0.508 333 I N 1.558 122.117 120.570 -0.018 0.000 2.474 333 I HA 0.737 4.907 4.170 -0.000 0.000 0.287 333 I C 0.470 176.572 176.117 -0.024 0.000 1.048 333 I CA -0.231 61.067 61.300 -0.002 0.000 1.383 333 I CB 0.901 38.901 38.000 0.000 0.000 1.412 333 I HN 0.431 nan 8.210 nan 0.000 0.531 334 N N 4.238 122.949 118.700 0.018 0.000 2.462 334 N HA 0.287 5.027 4.740 -0.000 0.000 0.242 334 N C 1.283 176.834 175.510 0.069 0.000 1.010 334 N CA 0.582 53.634 53.050 0.003 0.000 0.939 334 N CB 1.583 40.075 38.487 0.009 0.000 1.127 334 N HN 0.902 nan 8.380 nan 0.000 0.509 335 G N 2.569 111.369 108.800 0.000 0.000 2.469 335 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.219 335 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.219 335 G C 1.228 176.295 174.900 0.279 0.000 1.150 335 G CA 1.617 46.807 45.100 0.149 0.000 0.763 335 G HN 0.728 nan 8.290 nan 0.000 0.561 336 D N -0.173 120.278 120.400 0.085 0.000 2.178 336 D HA -0.054 4.586 4.640 -0.000 0.000 0.202 336 D C 2.266 178.621 176.300 0.092 0.000 0.974 336 D CA 1.521 55.570 54.000 0.082 0.000 0.841 336 D CB -0.517 40.308 40.800 0.042 0.000 0.953 336 D HN 0.532 nan 8.370 nan 0.000 0.478 337 Q N -0.625 119.227 119.800 0.088 0.000 2.119 337 Q HA -0.014 4.326 4.340 -0.000 0.000 0.201 337 Q C 2.545 178.597 176.000 0.087 0.000 0.972 337 Q CA 1.335 57.185 55.803 0.079 0.000 0.847 337 Q CB -0.172 28.605 28.738 0.064 0.000 0.903 337 Q HN 0.513 nan 8.270 nan 0.000 0.433 338 A N 0.868 123.756 122.820 0.114 0.000 1.902 338 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 338 A C 2.044 179.600 177.584 -0.047 0.000 1.181 338 A CA 1.458 53.512 52.037 0.028 0.000 0.623 338 A CB -0.475 18.534 19.000 0.015 0.000 0.818 338 A HN 0.330 nan 8.150 nan 0.000 0.443 339 R N -0.578 119.925 120.500 0.005 0.000 2.091 339 R HA -0.144 4.195 4.340 -0.000 0.000 0.238 339 R C 2.384 178.694 176.300 0.017 0.000 1.136 339 R CA 1.793 57.886 56.100 -0.013 0.000 0.959 339 R CB -0.238 30.092 30.300 0.050 0.000 0.856 339 R HN 0.617 nan 8.270 nan 0.000 0.437 340 K N 0.801 121.229 120.400 0.047 0.000 2.057 340 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 340 K C 1.962 178.603 176.600 0.068 0.000 1.049 340 K CA 1.255 57.577 56.287 0.057 0.000 0.931 340 K CB -0.024 32.514 32.500 0.064 0.000 0.714 340 K HN 0.122 nan 8.250 nan 0.000 0.440 341 L N 0.354 121.625 121.223 0.080 0.000 2.109 341 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 341 L C 2.644 179.599 176.870 0.142 0.000 1.086 341 L CA 0.609 55.522 54.840 0.122 0.000 0.760 341 L CB -0.341 41.815 42.059 0.161 0.000 0.910 341 L HN 0.265 nan 8.230 nan 0.000 0.437 342 M N -0.578 119.054 119.600 0.054 0.000 2.117 342 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 342 M C 2.393 178.745 176.300 0.087 0.000 1.065 342 M CA 1.795 57.111 55.300 0.026 0.000 1.114 342 M CB -0.849 31.682 32.600 -0.115 0.000 1.361 342 M HN 0.251 nan 8.290 nan 0.000 0.408 343 L N 0.276 121.532 121.223 0.055 0.000 2.044 343 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 343 L C 2.133 179.040 176.870 0.062 0.000 1.075 343 L CA 1.738 56.610 54.840 0.054 0.000 0.747 343 L CB -0.278 41.806 42.059 0.042 0.000 0.903 343 L HN 0.279 nan 8.230 nan 0.000 0.435 344 E N -1.067 119.171 120.200 0.064 0.000 2.250 344 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 344 E C 1.024 177.640 176.600 0.027 0.000 0.986 344 E CA 0.921 57.347 56.400 0.044 0.000 0.849 344 E CB 0.161 29.886 29.700 0.042 0.000 0.797 344 E HN 0.514 nan 8.360 nan 0.000 0.482 345 D N -0.903 119.532 120.400 0.057 0.000 2.388 345 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 345 D C 0.813 177.009 176.300 -0.174 0.000 1.035 345 D CA 0.478 54.457 54.000 -0.036 0.000 0.875 345 D CB 0.258 41.060 40.800 0.004 0.000 0.984 345 D HN 0.100 nan 8.370 nan 0.000 0.508 346 F N -0.141 119.789 119.950 -0.032 0.000 2.728 346 F HA 0.277 4.804 4.527 -0.000 0.000 0.314 346 F C 1.506 177.289 175.800 -0.029 0.000 1.094 346 F CA 0.024 58.002 58.000 -0.036 0.000 1.217 346 F CB 1.024 39.997 39.000 -0.045 0.000 1.056 346 F HN -0.028 nan 8.300 nan 0.000 0.577 347 G N 2.154 111.024 108.800 0.117 0.000 2.249 347 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.273 347 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.273 347 G C -0.104 174.839 174.900 0.072 0.000 1.036 347 G CA 0.262 45.404 45.100 0.070 0.000 0.824 347 G HN 0.341 nan 8.290 nan 0.000 0.504 348 I N -0.217 120.401 120.570 0.081 0.000 2.436 348 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 348 I C 0.145 176.266 176.117 0.008 0.000 1.010 348 I CA -0.804 60.517 61.300 0.035 0.000 1.098 348 I CB 2.024 40.030 38.000 0.010 0.000 1.266 348 I HN 0.198 nan 8.210 nan 0.000 0.434 349 E N 7.707 127.912 120.200 0.007 0.000 2.146 349 E HA 0.501 4.850 4.350 -0.000 0.000 0.282 349 E C -0.993 175.595 176.600 -0.020 0.000 0.989 349 E CA -0.629 55.773 56.400 0.003 0.000 0.799 349 E CB 1.088 30.806 29.700 0.030 0.000 1.088 349 E HN 0.590 nan 8.360 nan 0.000 0.397 350 I N 0.914 121.452 120.570 -0.054 0.000 2.607 350 I HA 0.685 4.855 4.170 -0.000 0.000 0.305 350 I C 0.405 176.519 176.117 -0.006 0.000 0.995 350 I CA -1.117 60.144 61.300 -0.065 0.000 1.148 350 I CB 1.832 39.716 38.000 -0.194 0.000 1.323 350 I HN 0.458 nan 8.210 nan 0.000 0.461 351 G N 1.874 110.698 108.800 0.040 0.000 2.395 351 G HA2 0.452 4.412 3.960 -0.000 0.000 0.283 351 G HA3 0.452 4.412 3.960 -0.000 0.000 0.283 351 G C -0.366 174.597 174.900 0.106 0.000 1.178 351 G CA -0.306 44.835 45.100 0.069 0.000 0.837 351 G HN 0.786 nan 8.290 nan 0.000 0.518 352 T N 0.214 114.783 114.554 0.025 0.000 2.824 352 T HA 0.525 4.875 4.350 -0.000 0.000 0.277 352 T C 0.551 175.162 174.700 -0.147 0.000 0.975 352 T CA -0.269 61.811 62.100 -0.033 0.000 0.966 352 T CB 0.602 69.420 68.868 -0.083 0.000 1.054 352 T HN 0.378 nan 8.240 nan 0.000 0.533 353 S N 1.050 116.666 115.700 -0.140 0.000 2.509 353 S HA 0.624 5.093 4.470 -0.000 0.000 0.297 353 S C -1.133 173.419 174.600 -0.079 0.000 1.118 353 S CA -0.474 57.671 58.200 -0.092 0.000 1.074 353 S CB 0.477 63.645 63.200 -0.054 0.000 1.038 353 S HN 0.509 nan 8.310 nan 0.000 0.498 354 F N 2.146 122.178 119.950 0.136 0.000 2.408 354 F HA 0.651 5.178 4.527 -0.000 0.000 0.344 354 F C 1.246 177.085 175.800 0.064 0.000 1.112 354 F CA 0.622 58.658 58.000 0.060 0.000 1.096 354 F CB 0.989 39.996 39.000 0.011 0.000 1.129 354 F HN 0.890 nan 8.300 nan 0.000 0.486 355 G N 3.890 112.796 108.800 0.178 0.000 2.662 355 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 355 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 355 G C -1.802 173.083 174.900 -0.025 0.000 1.212 355 G CA -0.240 44.884 45.100 0.041 0.000 0.968 355 G HN 0.469 nan 8.290 nan 0.000 0.576 356 P HA 0.130 nan 4.420 nan 0.000 0.223 356 P C 1.673 178.900 177.300 -0.122 0.000 1.151 356 P CA 1.193 64.179 63.100 -0.190 0.000 0.787 356 P CB -0.049 31.419 31.700 -0.386 0.000 0.788 357 L N -1.647 119.527 121.223 -0.081 0.000 2.628 357 L HA 0.207 4.547 4.340 -0.000 0.000 0.229 357 L C 0.970 177.776 176.870 -0.106 0.000 1.137 357 L CA -0.517 54.251 54.840 -0.120 0.000 0.909 357 L CB -0.993 40.955 42.059 -0.185 0.000 1.137 357 L HN -0.029 nan 8.230 nan 0.000 0.470 358 H N 0.910 119.903 119.070 -0.128 0.000 2.975 358 H HA 0.311 4.867 4.556 -0.000 0.000 0.303 358 H C 1.189 176.425 175.328 -0.154 0.000 1.023 358 H CA 0.802 56.766 56.048 -0.140 0.000 1.473 358 H CB 0.536 30.243 29.762 -0.092 0.000 1.498 358 H HN 0.281 nan 8.280 nan 0.000 0.549 359 G N 4.453 112.896 108.800 -0.595 0.000 2.175 359 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.244 359 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.244 359 G C 1.099 175.757 174.900 -0.402 0.000 0.982 359 G CA 0.431 45.252 45.100 -0.465 0.000 0.641 359 G HN 0.567 nan 8.290 nan 0.000 0.527 360 K N -0.979 119.188 120.400 -0.387 0.000 2.462 360 K HA 0.456 4.776 4.320 -0.000 0.000 0.201 360 K C 0.477 176.824 176.600 -0.422 0.000 1.268 360 K CA 0.700 56.776 56.287 -0.351 0.000 0.933 360 K CB 1.280 33.643 32.500 -0.228 0.000 1.162 360 K HN 0.423 nan 8.250 nan 0.000 0.527 361 V N 2.066 121.726 119.914 -0.423 0.000 2.577 361 V HA 0.311 4.431 4.120 -0.000 0.000 0.303 361 V C -0.894 175.038 176.094 -0.271 0.000 1.042 361 V CA -1.067 61.023 62.300 -0.350 0.000 0.872 361 V CB 2.237 33.851 31.823 -0.349 0.000 0.998 361 V HN 0.117 nan 8.190 nan 0.000 0.423 362 W N 3.507 124.747 121.300 -0.100 0.000 2.303 362 W HA 0.573 5.233 4.660 -0.000 0.000 0.334 362 W C 0.376 176.870 176.519 -0.043 0.000 1.197 362 W CA -0.846 56.451 57.345 -0.081 0.000 1.262 362 W CB 1.101 30.516 29.460 -0.074 0.000 1.153 362 W HN 0.382 nan 8.180 nan 0.000 0.596 363 R N 2.920 123.553 120.500 0.221 0.000 2.358 363 R HA 0.435 4.775 4.340 -0.000 0.000 0.309 363 R C -0.612 175.754 176.300 0.109 0.000 1.026 363 R CA -0.635 55.551 56.100 0.143 0.000 0.909 363 R CB 0.902 31.272 30.300 0.116 0.000 1.153 363 R HN 0.303 nan 8.270 nan 0.000 0.515 364 I N 1.913 122.539 120.570 0.094 0.000 2.321 364 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 364 I C 0.793 176.949 176.117 0.064 0.000 0.998 364 I CA -0.557 60.773 61.300 0.050 0.000 1.227 364 I CB 1.860 39.868 38.000 0.013 0.000 1.368 364 I HN 0.549 nan 8.210 nan 0.000 0.466 365 G N 2.927 111.764 108.800 0.062 0.000 2.389 365 G HA2 0.588 4.548 3.960 -0.000 0.000 0.328 365 G HA3 0.588 4.548 3.960 -0.000 0.000 0.328 365 G C -0.266 174.675 174.900 0.069 0.000 1.133 365 G CA -0.406 44.741 45.100 0.079 0.000 0.891 365 G HN 0.582 nan 8.290 nan 0.000 0.485 366 T N -0.197 114.414 114.554 0.095 0.000 3.327 366 T HA 0.593 4.943 4.350 -0.000 0.000 0.373 366 T C 0.051 174.837 174.700 0.144 0.000 1.589 366 T CA -0.559 61.590 62.100 0.082 0.000 1.497 366 T CB -0.171 68.749 68.868 0.086 0.000 1.032 366 T HN 0.416 nan 8.240 nan 0.000 0.640 367 M N 1.401 121.090 119.600 0.149 0.000 2.662 367 M HA 0.741 5.221 4.480 -0.000 0.000 0.310 367 M C 1.189 177.631 176.300 0.237 0.000 1.204 367 M CA -0.643 54.837 55.300 0.300 0.000 0.891 367 M CB 1.639 34.373 32.600 0.223 0.000 1.732 367 M HN 0.614 nan 8.290 nan 0.000 0.467 368 G N 0.736 109.787 108.800 0.419 0.000 2.651 368 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.315 368 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.315 368 G C 0.317 175.302 174.900 0.143 0.000 1.258 368 G CA 1.266 46.521 45.100 0.258 0.000 1.002 368 G HN 0.916 nan 8.290 nan 0.000 0.551 369 Y N 2.509 122.825 120.300 0.027 0.000 2.315 369 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 369 Y C 2.551 178.424 175.900 -0.046 0.000 1.154 369 Y CA 2.416 60.510 58.100 -0.011 0.000 1.229 369 Y CB -0.189 38.272 38.460 0.002 0.000 0.980 369 Y HN 0.354 nan 8.280 nan 0.000 0.540 370 N N 0.255 118.915 118.700 -0.067 0.000 2.322 370 N HA 0.168 4.908 4.740 -0.000 0.000 0.194 370 N C -0.123 175.274 175.510 -0.188 0.000 1.126 370 N CA 0.703 53.654 53.050 -0.165 0.000 0.845 370 N CB -0.013 38.447 38.487 -0.045 0.000 0.976 370 N HN 0.250 nan 8.380 nan 0.000 0.475 371 A N 1.177 123.869 122.820 -0.213 0.000 3.004 371 A HA 0.338 4.658 4.320 -0.000 0.000 0.286 371 A C 0.260 177.529 177.584 -0.523 0.000 1.632 371 A CA -0.213 51.657 52.037 -0.278 0.000 1.339 371 A CB -0.273 18.487 19.000 -0.401 0.000 1.136 371 A HN 0.076 nan 8.150 nan 0.000 0.577 372 R N 0.377 120.465 120.500 -0.687 0.000 2.808 372 R HA 0.321 4.660 4.340 -0.000 0.000 0.272 372 R C 0.582 176.425 176.300 -0.760 0.000 0.995 372 R CA -0.813 54.786 56.100 -0.835 0.000 0.917 372 R CB 1.683 31.697 30.300 -0.478 0.000 1.217 372 R HN 0.526 nan 8.270 nan 0.000 0.471 373 K N 1.362 121.407 120.400 -0.592 0.000 2.044 373 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 373 K C 1.261 177.683 176.600 -0.295 0.000 1.049 373 K CA 2.487 58.542 56.287 -0.386 0.000 0.927 373 K CB -0.017 32.138 32.500 -0.575 0.000 0.713 373 K HN 0.679 nan 8.250 nan 0.000 0.443 374 D N -0.044 120.191 120.400 -0.275 0.000 2.219 374 D HA -0.153 4.486 4.640 -0.000 0.000 0.205 374 D C 1.860 178.058 176.300 -0.170 0.000 0.970 374 D CA 1.024 54.902 54.000 -0.203 0.000 0.851 374 D CB -0.622 40.077 40.800 -0.168 0.000 0.943 374 D HN 0.316 nan 8.370 nan 0.000 0.488 375 C N 0.721 119.904 119.300 -0.194 0.000 2.453 375 C HA -0.052 4.407 4.460 -0.000 0.000 0.277 375 C C 3.115 178.038 174.990 -0.112 0.000 1.262 375 C CA 0.256 59.184 59.018 -0.151 0.000 1.718 375 C CB -0.858 26.776 27.740 -0.178 0.000 2.031 375 C HN 0.228 nan 8.230 nan 0.000 0.480 376 V N 0.467 120.322 119.914 -0.097 0.000 2.343 376 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 376 V C 2.461 178.513 176.094 -0.070 0.000 1.051 376 V CA 2.033 64.311 62.300 -0.038 0.000 1.036 376 V CB -0.636 31.233 31.823 0.076 0.000 0.654 376 V HN 0.405 nan 8.190 nan 0.000 0.451 377 M N 0.162 119.697 119.600 -0.109 0.000 2.086 377 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 377 M C 2.232 178.445 176.300 -0.145 0.000 1.067 377 M CA 2.082 57.275 55.300 -0.178 0.000 1.116 377 M CB -1.130 31.315 32.600 -0.257 0.000 1.348 377 M HN 0.334 nan 8.290 nan 0.000 0.407 378 T N -0.442 114.046 114.554 -0.110 0.000 2.867 378 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 378 T C 1.680 176.318 174.700 -0.103 0.000 1.057 378 T CA 1.812 63.869 62.100 -0.072 0.000 1.136 378 T CB -0.360 68.489 68.868 -0.033 0.000 0.874 378 T HN 0.427 nan 8.240 nan 0.000 0.466 379 T N 2.400 116.886 114.554 -0.113 0.000 2.777 379 T HA 0.061 4.411 4.350 -0.000 0.000 0.266 379 T C 1.975 176.570 174.700 -0.174 0.000 1.040 379 T CA 0.832 62.847 62.100 -0.143 0.000 1.141 379 T CB -0.397 68.405 68.868 -0.110 0.000 0.868 379 T HN 0.240 nan 8.240 nan 0.000 0.444 380 L N 1.468 122.609 121.223 -0.137 0.000 2.017 380 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 380 L C 2.971 179.760 176.870 -0.135 0.000 1.073 380 L CA 1.537 56.302 54.840 -0.124 0.000 0.745 380 L CB -0.675 41.326 42.059 -0.097 0.000 0.894 380 L HN 0.385 nan 8.230 nan 0.000 0.432 381 S N -0.150 115.471 115.700 -0.133 0.000 2.383 381 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 381 S C 2.110 176.581 174.600 -0.216 0.000 1.026 381 S CA 0.799 58.935 58.200 -0.106 0.000 0.981 381 S CB -0.393 62.781 63.200 -0.044 0.000 0.818 381 S HN 0.344 nan 8.310 nan 0.000 0.472 382 A N 1.863 124.445 122.820 -0.396 0.000 1.897 382 A HA 0.227 4.546 4.320 -0.000 0.000 0.215 382 A C 2.293 179.477 177.584 -0.667 0.000 1.181 382 A CA 1.148 52.619 52.037 -0.943 0.000 0.620 382 A CB -0.867 17.499 19.000 -1.057 0.000 0.821 382 A HN 0.517 nan 8.150 nan 0.000 0.443 383 L N -0.693 120.283 121.223 -0.412 0.000 2.017 383 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 383 L C 2.667 179.415 176.870 -0.202 0.000 1.073 383 L CA 2.192 56.838 54.840 -0.324 0.000 0.745 383 L CB -0.324 41.566 42.059 -0.280 0.000 0.894 383 L HN 0.617 nan 8.230 nan 0.000 0.432 384 E N -0.494 119.627 120.200 -0.132 0.000 2.072 384 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 384 E C 2.081 178.681 176.600 -0.000 0.000 0.985 384 E CA 1.065 57.451 56.400 -0.023 0.000 0.801 384 E CB 0.017 29.718 29.700 0.003 0.000 0.750 384 E HN 0.565 nan 8.360 nan 0.000 0.452 385 A N 0.391 123.177 122.820 -0.056 0.000 1.933 385 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 385 A C 2.368 179.992 177.584 0.067 0.000 1.175 385 A CA 1.221 53.267 52.037 0.016 0.000 0.628 385 A CB -0.558 18.461 19.000 0.032 0.000 0.814 385 A HN 0.213 nan 8.150 nan 0.000 0.444 386 V N 0.080 119.979 119.914 -0.024 0.000 2.307 386 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 386 V C 2.570 178.741 176.094 0.128 0.000 1.045 386 V CA 1.967 64.308 62.300 0.068 0.000 1.024 386 V CB -0.682 31.104 31.823 -0.063 0.000 0.651 386 V HN 0.579 nan 8.190 nan 0.000 0.449 387 L N 0.171 121.441 121.223 0.078 0.000 2.083 387 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 387 L C 2.409 179.411 176.870 0.219 0.000 1.083 387 L CA 1.416 56.350 54.840 0.157 0.000 0.752 387 L CB -0.733 41.443 42.059 0.195 0.000 0.899 387 L HN 0.383 nan 8.230 nan 0.000 0.433 388 N N -0.623 118.189 118.700 0.187 0.000 2.188 388 N HA -0.227 4.513 4.740 -0.000 0.000 0.184 388 N C 1.719 177.345 175.510 0.192 0.000 1.018 388 N CA 1.220 54.368 53.050 0.165 0.000 0.858 388 N CB -0.346 38.218 38.487 0.129 0.000 0.989 388 N HN 0.417 nan 8.380 nan 0.000 0.426 389 Y N 0.426 120.772 120.300 0.076 0.000 2.314 389 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 389 Y C 1.333 177.276 175.900 0.072 0.000 1.129 389 Y CA 0.602 58.744 58.100 0.071 0.000 1.201 389 Y CB 0.152 38.657 38.460 0.075 0.000 0.999 389 Y HN -0.102 nan 8.280 nan 0.000 0.541 390 L N 1.019 122.259 121.223 0.029 0.000 2.591 390 L HA 0.049 4.389 4.340 -0.000 0.000 0.228 390 L C 0.373 177.262 176.870 0.031 0.000 1.133 390 L CA 0.743 55.562 54.840 -0.036 0.000 0.880 390 L CB -0.915 41.170 42.059 0.044 0.000 1.033 390 L HN 0.126 nan 8.230 nan 0.000 0.450 391 K N -1.425 119.015 120.400 0.067 0.000 3.218 391 K HA -0.242 4.078 4.320 -0.000 0.000 0.276 391 K C -0.236 176.451 176.600 0.146 0.000 1.173 391 K CA 0.435 56.768 56.287 0.076 0.000 0.812 391 K CB -2.160 30.356 32.500 0.027 0.000 1.275 391 K HN 0.122 nan 8.250 nan 0.000 0.504 392 F N 1.582 121.551 119.950 0.032 0.000 2.385 392 F HA 0.442 4.969 4.527 -0.000 0.000 0.360 392 F C -2.185 173.639 175.800 0.039 0.000 1.122 392 F CA -2.613 55.410 58.000 0.039 0.000 1.090 392 F CB 0.939 39.974 39.000 0.058 0.000 1.150 392 F HN -0.161 nan 8.300 nan 0.000 0.472 393 P HA 0.271 nan 4.420 nan 0.000 0.280 393 P C -1.021 175.993 177.300 -0.476 0.000 1.244 393 P CA -0.206 62.682 63.100 -0.354 0.000 0.784 393 P CB 1.133 32.673 31.700 -0.266 0.000 0.913 394 T N -1.303 113.134 114.554 -0.196 0.000 2.907 394 T HA 0.433 4.783 4.350 -0.000 0.000 0.292 394 T C -0.235 174.436 174.700 -0.049 0.000 1.043 394 T CA -0.746 61.292 62.100 -0.103 0.000 1.003 394 T CB 0.536 69.417 68.868 0.021 0.000 1.084 394 T HN 0.119 nan 8.240 nan 0.000 0.483 395 T N 2.711 117.252 114.554 -0.022 0.000 2.817 395 T HA 0.136 4.486 4.350 -0.000 0.000 0.295 395 T C 0.360 175.072 174.700 0.021 0.000 0.958 395 T CA -0.063 62.036 62.100 -0.002 0.000 1.157 395 T CB 0.368 69.240 68.868 0.007 0.000 0.898 395 T HN 0.701 nan 8.240 nan 0.000 0.536 396 Q N 2.118 121.932 119.800 0.022 0.000 2.244 396 Q HA 0.273 4.613 4.340 -0.000 0.000 0.278 396 Q C 1.322 177.353 176.000 0.053 0.000 1.093 396 Q CA 0.984 56.809 55.803 0.037 0.000 0.916 396 Q CB -0.344 28.412 28.738 0.031 0.000 1.159 396 Q HN 1.047 nan 8.270 nan 0.000 0.384 397 G N 2.711 111.556 108.800 0.075 0.000 2.199 397 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.254 397 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.254 397 G C 0.742 175.712 174.900 0.118 0.000 0.982 397 G CA 0.449 45.613 45.100 0.107 0.000 0.632 397 G HN 0.864 nan 8.290 nan 0.000 0.529 398 A N 0.522 123.394 122.820 0.086 0.000 1.898 398 A HA 0.437 4.757 4.320 -0.000 0.000 0.216 398 A C 2.848 180.487 177.584 0.091 0.000 1.181 398 A CA 2.786 54.872 52.037 0.081 0.000 0.620 398 A CB -0.910 18.124 19.000 0.057 0.000 0.819 398 A HN 1.779 nan 8.150 nan 0.000 0.442 399 A N -0.964 121.905 122.820 0.082 0.000 1.902 399 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 399 A C 2.172 179.800 177.584 0.073 0.000 1.181 399 A CA 2.012 54.089 52.037 0.066 0.000 0.623 399 A CB -0.450 18.581 19.000 0.051 0.000 0.818 399 A HN 0.420 nan 8.150 nan 0.000 0.443 400 M N -1.109 118.560 119.600 0.115 0.000 2.156 400 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 400 M C 2.257 178.778 176.300 0.368 0.000 1.067 400 M CA 1.816 57.211 55.300 0.157 0.000 1.131 400 M CB -1.260 31.498 32.600 0.263 0.000 1.368 400 M HN 0.619 nan 8.290 nan 0.000 0.416 401 Q N 0.731 120.739 119.800 0.346 0.000 2.061 401 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 401 Q C 1.992 178.150 176.000 0.263 0.000 0.984 401 Q CA 2.671 58.668 55.803 0.323 0.000 0.846 401 Q CB -0.443 28.400 28.738 0.175 0.000 0.902 401 Q HN 0.446 nan 8.270 nan 0.000 0.421 402 A N 0.215 123.135 122.820 0.166 0.000 1.933 402 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 402 A C 2.290 179.939 177.584 0.109 0.000 1.175 402 A CA 1.964 54.068 52.037 0.112 0.000 0.628 402 A CB -1.194 17.842 19.000 0.059 0.000 0.814 402 A HN 0.562 nan 8.150 nan 0.000 0.444 403 A N -1.390 121.486 122.820 0.092 0.000 1.873 403 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 403 A C 2.084 179.774 177.584 0.176 0.000 1.186 403 A CA 1.262 53.323 52.037 0.040 0.000 0.616 403 A CB -0.806 18.174 19.000 -0.033 0.000 0.823 403 A HN 0.733 nan 8.150 nan 0.000 0.442 404 W N 0.820 122.233 121.300 0.187 0.000 2.335 404 W HA -0.146 4.513 4.660 -0.000 0.000 0.311 404 W C 1.734 178.349 176.519 0.159 0.000 1.213 404 W CA 1.870 59.337 57.345 0.204 0.000 1.274 404 W CB -0.864 28.669 29.460 0.122 0.000 1.148 404 W HN 0.416 nan 8.180 nan 0.000 0.498 405 D N -1.929 118.676 120.400 0.342 0.000 2.123 405 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 405 D C 2.010 178.405 176.300 0.159 0.000 0.992 405 D CA 1.507 55.630 54.000 0.205 0.000 0.833 405 D CB -0.835 40.056 40.800 0.152 0.000 0.954 405 D HN 0.305 nan 8.370 nan 0.000 0.455 406 H N -0.807 118.276 119.070 0.022 0.000 2.389 406 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 406 H C 1.657 176.929 175.328 -0.093 0.000 1.081 406 H CA 1.140 57.133 56.048 -0.092 0.000 1.345 406 H CB 0.059 29.686 29.762 -0.226 0.000 1.393 406 H HN 0.182 nan 8.280 nan 0.000 0.520 407 Y N 0.442 120.753 120.300 0.018 0.000 2.263 407 Y HA -0.137 4.412 4.550 -0.000 0.000 0.292 407 Y C 3.105 178.999 175.900 -0.011 0.000 1.130 407 Y CA 1.036 59.118 58.100 -0.030 0.000 1.179 407 Y CB -0.356 38.140 38.460 0.061 0.000 0.998 407 Y HN -0.009 nan 8.280 nan 0.000 0.532 408 R N -0.922 119.697 120.500 0.199 0.000 2.073 408 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 408 R C 2.433 178.764 176.300 0.051 0.000 1.120 408 R CA 1.201 57.377 56.100 0.126 0.000 0.967 408 R CB -1.254 29.124 30.300 0.131 0.000 0.862 408 R HN 0.347 nan 8.270 nan 0.000 0.436 409 S N 0.512 116.223 115.700 0.017 0.000 2.402 409 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 409 S C 1.770 176.338 174.600 -0.053 0.000 1.021 409 S CA 1.127 59.319 58.200 -0.014 0.000 0.974 409 S CB -0.203 62.990 63.200 -0.012 0.000 0.800 409 S HN 0.377 nan 8.310 nan 0.000 0.484 410 E N 0.909 121.041 120.200 -0.113 0.000 2.481 410 E HA 0.165 4.515 4.350 -0.000 0.000 0.195 410 E C 1.016 177.589 176.600 -0.044 0.000 1.047 410 E CA 0.087 56.410 56.400 -0.128 0.000 0.867 410 E CB 0.056 29.585 29.700 -0.283 0.000 0.858 410 E HN 0.486 nan 8.360 nan 0.000 0.513 411 R N 0.000 120.497 120.500 -0.005 0.000 2.786 411 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 411 R CA 0.000 56.109 56.100 0.016 0.000 0.921 411 R CB 0.000 30.324 30.300 0.039 0.000 0.687 411 R HN 0.000 nan 8.270 nan 0.000 0.535