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 1hb5_1_I DATA FIRST_RESID 14 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR T 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.583 177.584 -0.001 0.000 1.274 14 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 14 A CB 0.000 19.000 19.000 0.000 0.000 0.831 15 L N 1.155 122.378 121.223 -0.001 0.000 2.156 15 L HA 0.161 4.501 4.340 0.000 0.000 0.208 15 L C 2.625 179.494 176.870 -0.002 0.000 1.095 15 L CA 2.895 57.734 54.840 -0.001 0.000 0.770 15 L CB -0.719 41.339 42.059 -0.001 0.000 0.914 15 L HN 0.522 nan 8.230 nan 0.000 0.439 16 R N -0.078 120.421 120.500 -0.001 0.000 2.115 16 R HA -0.107 4.233 4.340 0.000 0.000 0.230 16 R C 1.852 178.150 176.300 -0.004 0.000 1.111 16 R CA 1.735 57.834 56.100 -0.002 0.000 0.976 16 R CB -1.671 28.628 30.300 -0.000 0.000 0.870 16 R HN 0.654 nan 8.270 nan 0.000 0.445 17 N N -0.065 118.633 118.700 -0.004 0.000 2.148 17 N HA -0.139 4.601 4.740 0.000 0.000 0.186 17 N C 1.965 177.469 175.510 -0.010 0.000 1.031 17 N CA 1.459 54.504 53.050 -0.008 0.000 0.848 17 N CB -0.318 38.165 38.487 -0.007 0.000 1.005 17 N HN 0.408 nan 8.380 nan 0.000 0.427 18 Q N 1.605 121.400 119.800 -0.008 0.000 2.135 18 Q HA -0.104 4.236 4.340 0.000 0.000 0.204 18 Q C 1.756 177.751 176.000 -0.009 0.000 0.981 18 Q CA 1.585 57.383 55.803 -0.009 0.000 0.856 18 Q CB -0.130 28.604 28.738 -0.006 0.000 0.902 18 Q HN 0.452 nan 8.270 nan 0.000 0.425 19 Q N -1.462 118.334 119.800 -0.007 0.000 2.187 19 Q HA 0.058 4.398 4.340 0.000 0.000 0.199 19 Q C 1.929 177.925 176.000 -0.007 0.000 0.957 19 Q CA 0.902 56.702 55.803 -0.005 0.000 0.857 19 Q CB -0.046 28.691 28.738 -0.003 0.000 0.929 19 Q HN 0.448 nan 8.270 nan 0.000 0.453 20 A N 0.861 123.676 122.820 -0.009 0.000 1.930 20 A HA -0.127 4.193 4.320 0.000 0.000 0.217 20 A C 2.042 179.616 177.584 -0.017 0.000 1.175 20 A CA 1.087 53.118 52.037 -0.011 0.000 0.627 20 A CB -0.340 18.653 19.000 -0.012 0.000 0.815 20 A HN 0.248 nan 8.150 nan 0.000 0.443 21 M N -0.688 118.900 119.600 -0.020 0.000 2.200 21 M HA -0.075 4.405 4.480 0.000 0.000 0.265 21 M C 2.542 178.829 176.300 -0.022 0.000 1.066 21 M CA 1.267 56.551 55.300 -0.028 0.000 1.127 21 M CB -0.458 32.124 32.600 -0.030 0.000 1.379 21 M HN 0.477 nan 8.290 nan 0.000 0.420 22 A N 0.623 123.434 122.820 -0.015 0.000 1.898 22 A HA -0.016 4.304 4.320 0.000 0.000 0.216 22 A C 2.384 179.962 177.584 -0.009 0.000 1.181 22 A CA 1.860 53.890 52.037 -0.011 0.000 0.620 22 A CB -0.826 18.170 19.000 -0.008 0.000 0.819 22 A HN 0.476 nan 8.150 nan 0.000 0.442 23 A N 0.211 123.026 122.820 -0.008 0.000 1.930 23 A HA -0.200 4.120 4.320 0.000 0.000 0.217 23 A C 1.950 179.531 177.584 -0.006 0.000 1.175 23 A CA 2.066 54.100 52.037 -0.004 0.000 0.627 23 A CB -0.761 18.238 19.000 -0.002 0.000 0.815 23 A HN 0.647 nan 8.150 nan 0.000 0.443 24 N N 0.128 118.820 118.700 -0.014 0.000 2.058 24 N HA -0.125 4.615 4.740 0.000 0.000 0.191 24 N C 1.587 177.085 175.510 -0.020 0.000 1.037 24 N CA 1.910 54.948 53.050 -0.020 0.000 0.848 24 N CB -0.408 38.059 38.487 -0.034 0.000 1.021 24 N HN 0.447 nan 8.380 nan 0.000 0.422 25 L N 0.257 121.467 121.223 -0.022 0.000 2.012 25 L HA -0.231 4.109 4.340 0.000 0.000 0.210 25 L C 2.702 179.566 176.870 -0.011 0.000 1.073 25 L CA 1.609 56.437 54.840 -0.019 0.000 0.748 25 L CB -0.775 41.273 42.059 -0.018 0.000 0.891 25 L HN 0.441 nan 8.230 nan 0.000 0.431 26 Q N 0.119 119.915 119.800 -0.007 0.000 2.084 26 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 26 Q C 2.307 178.308 176.000 0.002 0.000 0.978 26 Q CA 1.879 57.681 55.803 -0.001 0.000 0.844 26 Q CB -0.089 28.650 28.738 0.001 0.000 0.898 26 Q HN 0.524 nan 8.270 nan 0.000 0.426 27 A N 1.283 124.104 122.820 0.002 0.000 1.902 27 A HA -0.220 4.100 4.320 0.000 0.000 0.217 27 A C 2.133 179.718 177.584 0.002 0.000 1.181 27 A CA 1.525 53.566 52.037 0.007 0.000 0.623 27 A CB -0.705 18.301 19.000 0.010 0.000 0.818 27 A HN 0.437 nan 8.150 nan 0.000 0.443 28 R N -0.304 120.193 120.500 -0.006 0.000 2.080 28 R HA -0.206 4.134 4.340 0.000 0.000 0.236 28 R C 2.342 178.638 176.300 -0.007 0.000 1.137 28 R CA 1.999 58.093 56.100 -0.009 0.000 0.943 28 R CB -0.400 29.890 30.300 -0.016 0.000 0.846 28 R HN 0.706 nan 8.270 nan 0.000 0.431 29 Q N 0.070 119.867 119.800 -0.006 0.000 2.135 29 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 29 Q C 2.232 178.232 176.000 -0.001 0.000 0.981 29 Q CA 1.803 57.604 55.803 -0.004 0.000 0.856 29 Q CB -0.121 28.615 28.738 -0.003 0.000 0.902 29 Q HN 0.464 nan 8.270 nan 0.000 0.425 30 I N -0.216 120.357 120.570 0.004 0.000 2.252 30 I HA -0.230 3.940 4.170 0.000 0.000 0.245 30 I C 2.209 178.332 176.117 0.009 0.000 1.102 30 I CA 0.672 61.978 61.300 0.010 0.000 1.385 30 I CB -0.197 37.813 38.000 0.016 0.000 1.064 30 I HN 0.042 nan 8.210 nan 0.000 0.414 31 V N 1.259 121.175 119.914 0.003 0.000 2.287 31 V HA -0.288 3.832 4.120 0.000 0.000 0.248 31 V C 2.402 178.491 176.094 -0.008 0.000 1.053 31 V CA 1.805 64.102 62.300 -0.004 0.000 1.027 31 V CB -0.431 31.384 31.823 -0.013 0.000 0.646 31 V HN 0.363 nan 8.190 nan 0.000 0.447 32 L N -0.569 120.647 121.223 -0.012 0.000 2.083 32 L HA -0.191 4.149 4.340 0.000 0.000 0.209 32 L C 2.745 179.605 176.870 -0.016 0.000 1.083 32 L CA 1.268 56.095 54.840 -0.022 0.000 0.752 32 L CB -0.610 41.435 42.059 -0.024 0.000 0.899 32 L HN 0.348 nan 8.230 nan 0.000 0.433 33 Q N -0.405 119.394 119.800 -0.003 0.000 2.083 33 Q HA -0.134 4.206 4.340 0.000 0.000 0.198 33 Q C 2.235 178.249 176.000 0.024 0.000 0.969 33 Q CA 1.165 56.972 55.803 0.007 0.000 0.838 33 Q CB -0.198 28.546 28.738 0.009 0.000 0.900 33 Q HN 0.519 nan 8.270 nan 0.000 0.436 34 Q N 0.582 120.397 119.800 0.026 0.000 2.163 34 Q HA 0.044 4.384 4.340 0.000 0.000 0.198 34 Q C 1.153 177.186 176.000 0.056 0.000 0.954 34 Q CA 0.444 56.270 55.803 0.040 0.000 0.851 34 Q CB 0.002 28.762 28.738 0.036 0.000 0.928 34 Q HN 0.335 nan 8.270 nan 0.000 0.459 35 S N -0.497 115.228 115.700 0.041 0.000 2.645 35 S HA 0.320 4.790 4.470 0.000 0.000 0.266 35 S C -0.631 174.027 174.600 0.097 0.000 1.258 35 S CA -0.663 57.571 58.200 0.056 0.000 0.990 35 S CB 0.848 64.057 63.200 0.015 0.000 0.967 35 S HN 0.200 nan 8.310 nan 0.000 0.556 36 Y N 1.987 122.271 120.300 -0.028 0.000 2.350 36 Y HA 0.508 5.058 4.550 0.000 0.000 0.338 36 Y C -2.536 173.313 175.900 -0.084 0.000 0.961 36 Y CA -2.285 55.788 58.100 -0.045 0.000 1.100 36 Y CB 1.926 40.364 38.460 -0.036 0.000 1.179 36 Y HN 0.562 nan 8.280 nan 0.000 0.454 37 P HA 0.176 nan 4.420 nan 0.000 0.271 37 P C -1.244 175.843 177.300 -0.356 0.000 1.216 37 P CA 0.153 63.012 63.100 -0.402 0.000 0.776 37 P CB 1.926 33.383 31.700 -0.404 0.000 0.881 38 V N 4.606 124.269 119.914 -0.418 0.000 2.841 38 V HA 0.486 4.606 4.120 0.000 0.000 0.310 38 V C 0.020 175.881 176.094 -0.388 0.000 1.090 38 V CA -0.762 61.287 62.300 -0.418 0.000 0.930 38 V CB 2.461 33.864 31.823 -0.699 0.000 1.014 38 V HN 0.533 nan 8.190 nan 0.000 0.425 39 I N 4.194 124.683 120.570 -0.134 0.000 2.478 39 I HA 0.654 4.824 4.170 0.000 0.000 0.287 39 I C -0.826 175.394 176.117 0.172 0.000 1.042 39 I CA -0.076 61.245 61.300 0.034 0.000 1.067 39 I CB 1.576 39.599 38.000 0.037 0.000 1.233 39 I HN 0.946 nan 8.210 nan 0.000 0.431 40 Q N 5.890 125.885 119.800 0.325 0.000 2.379 40 Q HA 0.374 4.714 4.340 0.000 0.000 0.278 40 Q C -1.498 174.735 176.000 0.389 0.000 1.068 40 Q CA -0.937 55.092 55.803 0.377 0.000 0.816 40 Q CB 1.795 30.712 28.738 0.300 0.000 1.387 40 Q HN 0.682 nan 8.270 nan 0.000 0.413 41 Q N 1.204 121.156 119.800 0.255 0.000 2.330 41 Q HA 0.101 4.441 4.340 0.000 0.000 0.279 41 Q C -0.528 175.479 176.000 0.011 0.000 1.024 41 Q CA 0.163 55.886 55.803 -0.133 0.000 0.900 41 Q CB 1.091 29.681 28.738 -0.247 0.000 1.221 41 Q HN 0.700 nan 8.270 nan 0.000 0.396 42 V N 3.024 122.939 119.914 0.001 0.000 2.908 42 V HA 0.178 4.298 4.120 0.000 0.000 0.240 42 V C 0.234 176.348 176.094 0.033 0.000 1.117 42 V CA 1.021 63.361 62.300 0.067 0.000 1.133 42 V CB 0.391 32.292 31.823 0.131 0.000 0.857 42 V HN 0.927 nan 8.190 nan 0.000 0.478 43 E N -1.204 119.001 120.200 0.010 0.000 2.388 43 E HA 0.393 4.743 4.350 0.000 0.000 0.282 43 E C -1.423 175.154 176.600 -0.037 0.000 1.026 43 E CA -0.288 56.123 56.400 0.019 0.000 0.820 43 E CB 2.226 31.991 29.700 0.108 0.000 1.226 43 E HN 0.064 nan 8.360 nan 0.000 0.432 44 T N 2.021 116.484 114.554 -0.151 0.000 2.912 44 T HA 0.523 4.873 4.350 0.000 0.000 0.299 44 T C -1.698 172.720 174.700 -0.470 0.000 1.052 44 T CA -0.333 61.570 62.100 -0.328 0.000 0.996 44 T CB 1.696 70.439 68.868 -0.210 0.000 1.070 44 T HN 0.500 nan 8.240 nan 0.000 0.465 45 Q N 1.844 121.148 119.800 -0.826 0.000 2.353 45 Q HA 0.612 4.952 4.340 0.000 0.000 0.275 45 Q C -1.680 174.042 176.000 -0.464 0.000 1.029 45 Q CA -0.595 54.840 55.803 -0.614 0.000 0.848 45 Q CB 2.296 30.601 28.738 -0.722 0.000 1.390 45 Q HN 0.654 nan 8.270 nan 0.000 0.401 46 T N 3.847 118.283 114.554 -0.196 0.000 2.824 46 T HA 0.794 5.144 4.350 0.000 0.000 0.282 46 T C -1.284 173.416 174.700 0.001 0.000 0.993 46 T CA -0.354 61.640 62.100 -0.177 0.000 0.967 46 T CB 0.378 69.150 68.868 -0.159 0.000 0.960 46 T HN 0.467 nan 8.240 nan 0.000 0.441 47 F N -0.207 119.637 119.950 -0.176 0.000 2.779 47 F HA 0.729 5.256 4.527 0.000 0.000 0.316 47 F C -1.668 174.100 175.800 -0.053 0.000 1.164 47 F CA -1.381 56.581 58.000 -0.064 0.000 0.924 47 F CB 1.033 40.058 39.000 0.042 0.000 1.348 47 F HN 0.308 nan 8.300 nan 0.000 0.467 48 D N 2.254 122.743 120.400 0.147 0.000 2.381 48 D HA 0.378 5.018 4.640 0.000 0.000 0.235 48 D C -1.908 174.553 176.300 0.269 0.000 1.068 48 D CA -2.585 51.458 54.000 0.071 0.000 0.832 48 D CB 2.269 43.127 40.800 0.096 0.000 1.101 48 D HN 0.328 nan 8.370 nan 0.000 0.515 49 P HA -0.079 nan 4.420 nan 0.000 0.228 49 P C 0.887 178.311 177.300 0.206 0.000 1.151 49 P CA 0.420 63.688 63.100 0.280 0.000 0.770 49 P CB 0.267 31.991 31.700 0.039 0.000 0.786 50 A N -0.067 122.863 122.820 0.183 0.000 2.066 50 A HA -0.113 4.207 4.320 0.000 0.000 0.218 50 A C 2.069 179.726 177.584 0.123 0.000 1.157 50 A CA 1.156 53.285 52.037 0.153 0.000 0.670 50 A CB -0.741 18.345 19.000 0.144 0.000 0.804 50 A HN 0.146 nan 8.150 nan 0.000 0.453 51 N N -1.036 117.748 118.700 0.140 0.000 2.349 51 N HA 0.080 4.820 4.740 0.000 0.000 0.180 51 N C 0.761 176.311 175.510 0.067 0.000 1.024 51 N CA 0.657 53.769 53.050 0.103 0.000 0.869 51 N CB 0.112 38.670 38.487 0.118 0.000 1.022 51 N HN 0.521 nan 8.380 nan 0.000 0.433 52 R N -0.150 120.411 120.500 0.102 0.000 2.561 52 R HA 0.239 4.579 4.340 0.000 0.000 0.266 52 R C -0.717 175.585 176.300 0.004 0.000 1.091 52 R CA -0.055 56.013 56.100 -0.053 0.000 0.927 52 R CB 0.907 31.068 30.300 -0.231 0.000 1.240 52 R HN 0.095 nan 8.270 nan 0.000 0.449 53 S N 1.073 116.750 115.700 -0.039 0.000 2.733 53 S HA 0.212 4.682 4.470 0.000 0.000 0.247 53 S C -0.280 174.419 174.600 0.165 0.000 1.043 53 S CA -0.250 58.058 58.200 0.179 0.000 1.066 53 S CB 0.828 64.158 63.200 0.217 0.000 1.045 53 S HN 0.165 nan 8.310 nan 0.000 0.586 54 V N 2.663 122.461 119.914 -0.193 0.000 2.448 54 V HA 0.648 4.768 4.120 0.000 0.000 0.295 54 V C -1.345 174.454 176.094 -0.491 0.000 1.025 54 V CA -0.554 61.642 62.300 -0.172 0.000 0.859 54 V CB 1.007 32.732 31.823 -0.163 0.000 0.988 54 V HN 0.407 nan 8.190 nan 0.000 0.431 55 F N 1.604 121.491 119.950 -0.105 0.000 2.556 55 F HA 0.498 5.025 4.527 0.000 0.000 0.314 55 F C -0.153 175.566 175.800 -0.134 0.000 1.106 55 F CA -0.935 57.002 58.000 -0.105 0.000 0.911 55 F CB 1.914 40.878 39.000 -0.061 0.000 1.190 55 F HN 0.435 nan 8.300 nan 0.000 0.448 56 D N 2.323 122.739 120.400 0.027 0.000 2.454 56 D HA 0.449 5.089 4.640 0.000 0.000 0.225 56 D C -0.809 175.490 176.300 -0.002 0.000 1.081 56 D CA -0.113 53.869 54.000 -0.031 0.000 0.864 56 D CB 1.416 42.175 40.800 -0.069 0.000 1.040 56 D HN 0.102 nan 8.370 nan 0.000 0.517 57 V N 2.375 122.263 119.914 -0.043 0.000 2.546 57 V HA 0.299 4.419 4.120 0.000 0.000 0.284 57 V C 0.608 176.661 176.094 -0.068 0.000 1.050 57 V CA -0.338 61.942 62.300 -0.032 0.000 0.981 57 V CB 1.641 33.408 31.823 -0.093 0.000 0.990 57 V HN 0.504 nan 8.190 nan 0.000 0.474 58 T N 6.774 121.312 114.554 -0.026 0.000 2.853 58 T HA 0.358 4.708 4.350 0.000 0.000 0.317 58 T C -2.362 172.341 174.700 0.004 0.000 1.059 58 T CA -0.900 61.184 62.100 -0.027 0.000 0.954 58 T CB 1.006 69.866 68.868 -0.013 0.000 0.994 58 T HN 0.481 nan 8.240 nan 0.000 0.479 59 P HA 0.307 nan 4.420 nan 0.000 0.270 59 P C -0.543 176.813 177.300 0.094 0.000 1.223 59 P CA -0.441 62.736 63.100 0.129 0.000 0.785 59 P CB 0.458 32.328 31.700 0.284 0.000 0.923 60 A N 2.215 125.086 122.820 0.085 0.000 2.388 60 A HA 0.216 4.536 4.320 0.000 0.000 0.257 60 A C 0.150 177.714 177.584 -0.034 0.000 1.095 60 A CA -0.273 51.768 52.037 0.006 0.000 0.791 60 A CB -0.302 18.679 19.000 -0.032 0.000 1.029 60 A HN 0.461 nan 8.150 nan 0.000 0.489 61 N N 1.148 119.825 118.700 -0.038 0.000 2.602 61 N HA 0.354 5.094 4.740 0.000 0.000 0.238 61 N C -1.198 174.254 175.510 -0.096 0.000 1.084 61 N CA 0.159 53.184 53.050 -0.041 0.000 0.952 61 N CB 1.075 39.557 38.487 -0.008 0.000 1.244 61 N HN 0.432 nan 8.380 nan 0.000 0.512 62 V N 0.963 120.759 119.914 -0.196 0.000 2.668 62 V HA 0.690 4.810 4.120 0.000 0.000 0.304 62 V C 0.730 176.689 176.094 -0.224 0.000 1.071 62 V CA 0.192 62.339 62.300 -0.256 0.000 0.894 62 V CB 0.970 32.510 31.823 -0.472 0.000 1.008 62 V HN 0.797 nan 8.190 nan 0.000 0.425 63 G N 6.315 115.065 108.800 -0.083 0.000 2.582 63 G HA2 -0.273 3.687 3.960 0.000 0.000 0.300 63 G HA3 -0.273 3.687 3.960 0.000 0.000 0.300 63 G C -0.015 174.873 174.900 -0.020 0.000 1.300 63 G CA 0.585 45.665 45.100 -0.035 0.000 0.959 63 G HN 1.239 nan 8.290 nan 0.000 0.548 64 I N 0.635 121.216 120.570 0.018 0.000 2.325 64 I HA 0.350 4.520 4.170 0.000 0.000 0.291 64 I C 0.444 176.595 176.117 0.056 0.000 1.019 64 I CA -0.621 60.690 61.300 0.018 0.000 1.302 64 I CB 1.445 39.446 38.000 0.002 0.000 1.401 64 I HN 0.288 nan 8.210 nan 0.000 0.485 65 V N 7.757 127.677 119.914 0.010 0.000 2.432 65 V HA 0.185 4.305 4.120 0.000 0.000 0.275 65 V C 0.900 176.931 176.094 -0.105 0.000 1.043 65 V CA -0.349 61.922 62.300 -0.048 0.000 0.925 65 V CB 1.198 32.956 31.823 -0.109 0.000 0.985 65 V HN 0.751 nan 8.190 nan 0.000 0.466 66 K N 2.875 123.212 120.400 -0.104 0.000 2.276 66 K HA 0.455 4.775 4.320 0.000 0.000 0.198 66 K C 0.809 177.308 176.600 -0.168 0.000 1.052 66 K CA 0.723 56.986 56.287 -0.039 0.000 0.984 66 K CB 0.739 33.302 32.500 0.105 0.000 0.836 66 K HN 0.914 nan 8.250 nan 0.000 0.490 67 G N 0.143 108.617 108.800 -0.543 0.000 2.315 67 G HA2 0.353 4.313 3.960 0.000 0.000 0.294 67 G HA3 0.353 4.313 3.960 0.000 0.000 0.294 67 G C -1.973 172.045 174.900 -1.469 0.000 1.300 67 G CA -1.019 43.404 45.100 -1.128 0.000 0.843 67 G HN -0.006 nan 8.290 nan 0.000 0.527 68 F N -0.507 118.855 119.950 -0.978 0.000 2.547 68 F HA 0.671 5.198 4.527 0.000 0.000 0.316 68 F C -0.221 175.458 175.800 -0.203 0.000 1.121 68 F CA -0.846 56.922 58.000 -0.388 0.000 0.911 68 F CB 2.361 41.233 39.000 -0.214 0.000 1.179 68 F HN 0.420 nan 8.300 nan 0.000 0.443 69 L N 4.387 125.873 121.223 0.438 0.000 2.272 69 L HA 0.720 5.060 4.340 0.000 0.000 0.289 69 L C -1.049 176.159 176.870 0.564 0.000 1.032 69 L CA -0.515 54.715 54.840 0.651 0.000 0.810 69 L CB 1.150 43.633 42.059 0.706 0.000 1.205 69 L HN 0.407 nan 8.230 nan 0.000 0.422 70 V N 5.622 125.830 119.914 0.491 0.000 2.357 70 V HA 0.396 4.516 4.120 0.000 0.000 0.284 70 V C 0.048 176.306 176.094 0.273 0.000 1.018 70 V CA -0.821 61.702 62.300 0.370 0.000 0.841 70 V CB 1.177 33.156 31.823 0.259 0.000 0.991 70 V HN 0.724 nan 8.190 nan 0.000 0.437 71 K N 4.257 124.729 120.400 0.120 0.000 2.201 71 K HA 0.685 5.005 4.320 0.000 0.000 0.278 71 K C -1.348 175.215 176.600 -0.062 0.000 1.027 71 K CA -0.352 55.714 56.287 -0.369 0.000 0.909 71 K CB 1.521 33.877 32.500 -0.239 0.000 1.062 71 K HN 0.496 nan 8.250 nan 0.000 0.465 72 V N 3.661 123.520 119.914 -0.092 0.000 2.577 72 V HA 0.335 4.455 4.120 0.000 0.000 0.303 72 V C -0.322 175.782 176.094 0.017 0.000 1.042 72 V CA -0.814 61.544 62.300 0.096 0.000 0.872 72 V CB 1.669 33.679 31.823 0.311 0.000 0.998 72 V HN 1.025 nan 8.190 nan 0.000 0.423 73 T N 1.415 115.965 114.554 -0.005 0.000 2.924 73 T HA 0.975 5.325 4.350 0.000 0.000 0.291 73 T C -0.476 174.219 174.700 -0.008 0.000 1.045 73 T CA -0.450 61.651 62.100 0.001 0.000 1.015 73 T CB 2.360 71.220 68.868 -0.014 0.000 1.103 73 T HN 1.427 nan 8.240 nan 0.000 0.496 74 A N 0.426 123.279 122.820 0.055 0.000 2.612 74 A HA 0.905 5.225 4.320 0.000 0.000 0.293 74 A C -1.089 176.573 177.584 0.130 0.000 1.075 74 A CA -0.740 51.360 52.037 0.104 0.000 0.680 74 A CB 1.138 20.308 19.000 0.282 0.000 1.279 74 A HN 1.732 nan 8.150 nan 0.000 0.411 75 A N 1.024 123.929 122.820 0.142 0.000 2.330 75 A HA 0.796 5.116 4.320 0.000 0.000 0.313 75 A C -0.908 176.748 177.584 0.121 0.000 1.124 75 A CA -0.293 51.801 52.037 0.095 0.000 0.774 75 A CB 0.520 19.546 19.000 0.044 0.000 1.198 75 A HN 0.791 nan 8.150 nan 0.000 0.465 76 I N 1.595 122.185 120.570 0.033 0.000 2.545 76 I HA 0.427 4.597 4.170 0.000 0.000 0.292 76 I C -0.341 175.694 176.117 -0.136 0.000 1.040 76 I CA -0.310 60.950 61.300 -0.066 0.000 1.068 76 I CB 2.732 40.664 38.000 -0.113 0.000 1.251 76 I HN 0.574 nan 8.210 nan 0.000 0.424 77 T N 3.998 118.450 114.554 -0.169 0.000 2.807 77 T HA 0.271 4.621 4.350 0.000 0.000 0.279 77 T C -0.390 174.155 174.700 -0.257 0.000 0.993 77 T CA -0.596 61.400 62.100 -0.172 0.000 0.970 77 T CB 1.145 69.952 68.868 -0.102 0.000 0.950 77 T HN 0.419 nan 8.240 nan 0.000 0.441 78 N N 2.801 121.360 118.700 -0.234 0.000 2.485 78 N HA 0.186 4.926 4.740 0.000 0.000 0.243 78 N C -0.031 175.398 175.510 -0.134 0.000 0.987 78 N CA -0.518 52.390 53.050 -0.236 0.000 0.940 78 N CB 0.402 38.755 38.487 -0.224 0.000 1.122 78 N HN 0.367 nan 8.380 nan 0.000 0.509 79 N N 1.544 120.173 118.700 -0.118 0.000 2.276 79 N HA -0.037 4.703 4.740 0.000 0.000 0.212 79 N C -0.338 175.142 175.510 -0.050 0.000 1.127 79 N CA -0.118 52.887 53.050 -0.076 0.000 0.834 79 N CB -0.196 38.243 38.487 -0.079 0.000 1.014 79 N HN 0.653 nan 8.380 nan 0.000 0.491 80 H N 0.291 119.295 119.070 -0.109 0.000 2.790 80 H HA 0.209 4.765 4.556 0.000 0.000 0.358 80 H C 1.319 176.609 175.328 -0.063 0.000 1.103 80 H CA 0.357 56.356 56.048 -0.082 0.000 1.426 80 H CB 1.111 30.823 29.762 -0.084 0.000 1.424 80 H HN 0.134 nan 8.280 nan 0.000 0.599 81 A N 2.558 125.170 122.820 -0.347 0.000 1.969 81 A HA -0.125 4.195 4.320 0.000 0.000 0.218 81 A C 1.859 179.459 177.584 0.027 0.000 1.169 81 A CA 2.171 54.122 52.037 -0.145 0.000 0.635 81 A CB -0.459 18.419 19.000 -0.203 0.000 0.810 81 A HN 0.888 nan 8.150 nan 0.000 0.445 82 T N -5.170 109.531 114.554 0.246 0.000 3.100 82 T HA 0.177 4.527 4.350 0.000 0.000 0.255 82 T C 0.162 174.942 174.700 0.133 0.000 0.893 82 T CA -0.261 61.942 62.100 0.172 0.000 0.882 82 T CB 0.115 69.054 68.868 0.119 0.000 1.266 82 T HN 0.201 nan 8.240 nan 0.000 0.528 83 E N 1.761 122.044 120.200 0.137 0.000 2.242 83 E HA 0.745 5.095 4.350 0.000 0.000 0.275 83 E C -0.181 176.327 176.600 -0.153 0.000 1.002 83 E CA -0.426 55.878 56.400 -0.160 0.000 0.841 83 E CB 1.926 31.346 29.700 -0.466 0.000 1.109 83 E HN 0.537 nan 8.360 nan 0.000 0.394 84 A N 1.695 124.448 122.820 -0.111 0.000 2.239 84 A HA 0.685 5.005 4.320 0.000 0.000 0.303 84 A C -0.100 177.430 177.584 -0.090 0.000 1.114 84 A CA -0.539 51.445 52.037 -0.089 0.000 0.871 84 A CB 0.735 19.706 19.000 -0.049 0.000 1.201 84 A HN 0.404 nan 8.150 nan 0.000 0.506 85 V N -4.072 115.807 119.914 -0.059 0.000 3.078 85 V HA 0.938 5.058 4.120 0.000 0.000 0.311 85 V C -0.231 175.949 176.094 0.142 0.000 1.138 85 V CA -0.329 61.986 62.300 0.026 0.000 1.007 85 V CB 1.103 32.942 31.823 0.025 0.000 1.045 85 V HN 1.867 nan 8.190 nan 0.000 0.432 86 A N 2.691 125.648 122.820 0.228 0.000 2.413 86 A HA 0.858 5.178 4.320 0.000 0.000 0.307 86 A C -0.566 177.141 177.584 0.205 0.000 1.087 86 A CA -0.979 51.202 52.037 0.239 0.000 0.750 86 A CB 1.467 20.525 19.000 0.098 0.000 1.296 86 A HN 1.084 nan 8.150 nan 0.000 0.423 87 L N 1.820 123.063 121.223 0.033 0.000 2.514 87 L HA 0.157 4.497 4.340 0.000 0.000 0.280 87 L C 1.493 178.267 176.870 -0.161 0.000 1.223 87 L CA 0.096 54.757 54.840 -0.299 0.000 0.864 87 L CB 0.519 42.432 42.059 -0.242 0.000 1.118 87 L HN 0.996 nan 8.230 nan 0.000 0.494 88 T N -2.012 112.417 114.554 -0.209 0.000 2.770 88 T HA 0.087 4.437 4.350 0.000 0.000 0.281 88 T C 0.740 175.356 174.700 -0.141 0.000 0.981 88 T CA -0.785 61.209 62.100 -0.178 0.000 0.955 88 T CB 0.776 69.504 68.868 -0.233 0.000 1.060 88 T HN 0.505 nan 8.240 nan 0.000 0.531 89 D N -0.249 120.039 120.400 -0.187 0.000 2.178 89 D HA -0.010 4.630 4.640 0.000 0.000 0.201 89 D C 1.523 177.970 176.300 0.245 0.000 0.980 89 D CA 1.038 55.021 54.000 -0.028 0.000 0.842 89 D CB -0.218 40.518 40.800 -0.107 0.000 0.948 89 D HN 0.468 nan 8.370 nan 0.000 0.472 90 F N 0.182 120.068 119.950 -0.106 0.000 2.473 90 F HA 0.242 4.769 4.527 0.000 0.000 0.294 90 F C 2.199 177.951 175.800 -0.081 0.000 1.103 90 F CA 0.447 58.420 58.000 -0.044 0.000 1.442 90 F CB -0.941 38.010 39.000 -0.083 0.000 1.097 90 F HN -0.018 nan 8.300 nan 0.000 0.547 91 G N 2.637 111.463 108.800 0.043 0.000 2.685 91 G HA2 -0.341 3.619 3.960 0.000 0.000 0.329 91 G HA3 -0.341 3.619 3.960 0.000 0.000 0.329 91 G C -1.110 173.764 174.900 -0.044 0.000 1.271 91 G CA 0.571 45.613 45.100 -0.097 0.000 1.003 91 G HN 0.208 nan 8.290 nan 0.000 0.549 92 P HA 0.037 nan 4.420 nan 0.000 0.225 92 P C 1.673 178.981 177.300 0.015 0.000 1.148 92 P CA 2.376 65.481 63.100 0.009 0.000 0.779 92 P CB -0.389 31.309 31.700 -0.005 0.000 0.780 93 A N 0.149 122.935 122.820 -0.057 0.000 2.121 93 A HA -0.115 4.205 4.320 0.000 0.000 0.218 93 A C 1.877 179.592 177.584 0.219 0.000 1.154 93 A CA 1.110 53.112 52.037 -0.058 0.000 0.679 93 A CB -1.040 17.817 19.000 -0.238 0.000 0.795 93 A HN 0.128 nan 8.150 nan 0.000 0.458 94 N N -0.355 118.472 118.700 0.211 0.000 2.314 94 N HA 0.175 4.915 4.740 0.000 0.000 0.200 94 N C 1.106 176.756 175.510 0.234 0.000 1.135 94 N CA 0.098 53.295 53.050 0.245 0.000 0.835 94 N CB 0.028 38.644 38.487 0.214 0.000 0.989 94 N HN 0.483 nan 8.380 nan 0.000 0.478 95 L N -0.305 121.088 121.223 0.284 0.000 2.141 95 L HA -0.012 4.328 4.340 0.000 0.000 0.209 95 L C 0.333 177.380 176.870 0.295 0.000 1.094 95 L CA 0.812 55.849 54.840 0.329 0.000 0.763 95 L CB 0.186 42.460 42.059 0.358 0.000 0.908 95 L HN -0.115 nan 8.230 nan 0.000 0.437 96 V N 0.028 120.044 119.914 0.170 0.000 2.370 96 V HA 0.118 4.238 4.120 0.000 0.000 0.283 96 V C 0.566 176.567 176.094 -0.156 0.000 1.023 96 V CA -0.516 61.660 62.300 -0.205 0.000 0.857 96 V CB 1.666 33.064 31.823 -0.709 0.000 0.985 96 V HN 0.187 nan 8.190 nan 0.000 0.443 97 Q N 3.548 123.267 119.800 -0.134 0.000 2.123 97 Q HA 0.200 4.540 4.340 0.000 0.000 0.196 97 Q C 0.488 176.395 176.000 -0.155 0.000 0.958 97 Q CA 1.040 56.806 55.803 -0.063 0.000 0.841 97 Q CB 0.427 29.163 28.738 -0.003 0.000 0.915 97 Q HN 0.609 nan 8.270 nan 0.000 0.455 98 R N -0.881 119.476 120.500 -0.238 0.000 2.707 98 R HA 0.599 4.939 4.340 0.000 0.000 0.272 98 R C -1.577 174.529 176.300 -0.323 0.000 1.011 98 R CA -0.467 55.483 56.100 -0.251 0.000 0.893 98 R CB 2.595 32.798 30.300 -0.162 0.000 1.233 98 R HN -0.067 nan 8.270 nan 0.000 0.464 99 V N 3.703 123.435 119.914 -0.304 0.000 2.760 99 V HA 0.667 4.787 4.120 0.000 0.000 0.309 99 V C -1.678 174.280 176.094 -0.225 0.000 1.077 99 V CA -0.641 61.475 62.300 -0.307 0.000 0.910 99 V CB 1.936 33.540 31.823 -0.365 0.000 1.008 99 V HN 0.607 nan 8.190 nan 0.000 0.424 100 I N 7.085 127.541 120.570 -0.189 0.000 2.569 100 I HA 0.487 4.657 4.170 0.000 0.000 0.290 100 I C -1.229 174.801 176.117 -0.144 0.000 1.088 100 I CA -0.428 60.764 61.300 -0.180 0.000 1.047 100 I CB 1.986 39.892 38.000 -0.157 0.000 1.237 100 I HN 0.688 nan 8.210 nan 0.000 0.421 101 Y N 6.047 126.159 120.300 -0.313 0.000 2.409 101 Y HA 0.715 5.265 4.550 0.000 0.000 0.343 101 Y C -1.739 173.989 175.900 -0.287 0.000 0.973 101 Y CA -0.854 57.102 58.100 -0.241 0.000 1.064 101 Y CB 1.366 39.696 38.460 -0.217 0.000 1.207 101 Y HN 0.464 nan 8.280 nan 0.000 0.452 102 Y N 4.105 123.857 120.300 -0.914 0.000 2.425 102 Y HA 0.307 4.857 4.550 0.000 0.000 0.344 102 Y C -0.250 175.087 175.900 -0.938 0.000 0.969 102 Y CA -1.180 56.565 58.100 -0.592 0.000 1.052 102 Y CB 1.310 39.580 38.460 -0.317 0.000 1.215 102 Y HN 0.713 nan 8.280 nan 0.000 0.451 103 D N 2.264 122.522 120.400 -0.236 0.000 2.478 103 D HA 0.251 4.891 4.640 0.000 0.000 0.269 103 D C -2.196 174.098 176.300 -0.010 0.000 1.232 103 D CA -2.234 51.723 54.000 -0.073 0.000 1.059 103 D CB 0.273 41.217 40.800 0.240 0.000 1.104 103 D HN 0.164 nan 8.370 nan 0.000 0.566 104 P HA -0.078 nan 4.420 nan 0.000 0.221 104 P C 0.065 177.382 177.300 0.028 0.000 1.145 104 P CA 1.083 64.199 63.100 0.026 0.000 0.795 104 P CB 0.096 31.823 31.700 0.046 0.000 0.775 105 D N -2.015 118.420 120.400 0.057 0.000 2.342 105 D HA 0.037 4.677 4.640 0.000 0.000 0.221 105 D C 0.372 176.704 176.300 0.053 0.000 1.101 105 D CA 0.081 54.112 54.000 0.052 0.000 0.837 105 D CB -0.671 40.170 40.800 0.069 0.000 0.938 105 D HN 0.003 nan 8.370 nan 0.000 0.508 106 N N 1.149 119.880 118.700 0.052 0.000 2.741 106 N HA -0.230 4.510 4.740 0.000 0.000 0.250 106 N C -0.317 175.306 175.510 0.188 0.000 1.115 106 N CA 0.460 53.553 53.050 0.073 0.000 0.724 106 N CB -0.889 37.589 38.487 -0.015 0.000 1.090 106 N HN 0.172 nan 8.380 nan 0.000 0.558 107 Q N 0.959 120.867 119.800 0.180 0.000 2.279 107 Q HA 0.324 4.664 4.340 0.000 0.000 0.256 107 Q C -0.105 176.020 176.000 0.207 0.000 0.937 107 Q CA -0.323 55.578 55.803 0.164 0.000 0.933 107 Q CB 0.746 29.553 28.738 0.115 0.000 1.189 107 Q HN 0.330 nan 8.270 nan 0.000 0.417 108 R N 3.804 124.351 120.500 0.078 0.000 2.390 108 R HA 0.211 4.551 4.340 0.000 0.000 0.291 108 R C -0.046 176.246 176.300 -0.014 0.000 1.070 108 R CA 0.062 56.075 56.100 -0.144 0.000 1.014 108 R CB 0.441 30.555 30.300 -0.309 0.000 1.007 108 R HN 0.869 nan 8.270 nan 0.000 0.466 109 H N 1.053 120.062 119.070 -0.101 0.000 4.661 109 H HA 0.160 4.716 4.556 0.000 0.000 0.141 109 H C 0.056 175.286 175.328 -0.163 0.000 1.436 109 H CA -0.502 55.510 56.048 -0.060 0.000 1.052 109 H CB 0.145 29.947 29.762 0.066 0.000 1.383 109 H HN 0.445 nan 8.280 nan 0.000 0.422 110 T N 1.848 116.389 114.554 -0.022 0.000 2.940 110 T HA 0.011 4.361 4.350 0.000 0.000 0.309 110 T C 0.252 174.862 174.700 -0.150 0.000 1.056 110 T CA 0.490 62.494 62.100 -0.160 0.000 1.137 110 T CB 0.365 69.099 68.868 -0.224 0.000 0.976 110 T HN 0.331 nan 8.240 nan 0.000 0.547 111 E N 2.232 122.347 120.200 -0.141 0.000 2.542 111 E HA 0.335 4.685 4.350 0.000 0.000 0.298 111 E C -1.053 175.485 176.600 -0.103 0.000 0.980 111 E CA -0.339 55.982 56.400 -0.132 0.000 0.792 111 E CB 1.449 31.082 29.700 -0.112 0.000 1.463 111 E HN 0.704 nan 8.360 nan 0.000 0.389 112 T N 0.707 115.171 114.554 -0.150 0.000 2.665 112 T HA 0.426 4.776 4.350 0.000 0.000 0.303 112 T C -0.875 173.668 174.700 -0.262 0.000 1.334 112 T CA -0.056 61.949 62.100 -0.158 0.000 1.011 112 T CB 0.933 69.762 68.868 -0.065 0.000 1.573 112 T HN 0.361 nan 8.240 nan 0.000 0.492 113 S N -0.027 115.436 115.700 -0.395 0.000 2.617 113 S HA 0.493 4.963 4.470 0.000 0.000 0.269 113 S C 1.632 175.936 174.600 -0.493 0.000 1.292 113 S CA 0.055 57.949 58.200 -0.509 0.000 1.010 113 S CB 0.881 63.525 63.200 -0.927 0.000 0.944 113 S HN 1.077 nan 8.310 nan 0.000 0.536 114 G N 1.168 109.755 108.800 -0.355 0.000 2.418 114 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 114 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 114 G C 1.329 176.209 174.900 -0.034 0.000 1.158 114 G CA 0.799 45.756 45.100 -0.237 0.000 0.771 114 G HN 0.959 nan 8.290 nan 0.000 0.545 115 W N 0.207 121.461 121.300 -0.077 0.000 2.363 115 W HA -0.046 4.614 4.660 0.000 0.000 0.296 115 W C 1.800 178.014 176.519 -0.508 0.000 1.212 115 W CA 0.881 57.982 57.345 -0.406 0.000 1.260 115 W CB -1.086 28.087 29.460 -0.477 0.000 1.131 115 W HN 0.428 nan 8.180 nan 0.000 0.530 116 H N 1.165 119.807 119.070 -0.714 0.000 2.357 116 H HA -0.175 4.381 4.556 0.000 0.000 0.301 116 H C 2.368 177.568 175.328 -0.214 0.000 1.082 116 H CA 1.743 57.522 56.048 -0.449 0.000 1.342 116 H CB -0.071 29.226 29.762 -0.775 0.000 1.389 116 H HN 0.115 nan 8.280 nan 0.000 0.511 117 L N 0.954 121.945 121.223 -0.386 0.000 2.042 117 L HA -0.198 4.142 4.340 0.000 0.000 0.210 117 L C 2.562 179.333 176.870 -0.165 0.000 1.076 117 L CA 2.389 57.039 54.840 -0.316 0.000 0.749 117 L CB -1.078 40.856 42.059 -0.207 0.000 0.893 117 L HN 0.362 nan 8.230 nan 0.000 0.432 118 H N -1.238 117.750 119.070 -0.137 0.000 2.353 118 H HA -0.192 4.364 4.556 0.000 0.000 0.300 118 H C 1.836 177.140 175.328 -0.041 0.000 1.090 118 H CA 2.223 58.184 56.048 -0.145 0.000 1.327 118 H CB -0.358 29.289 29.762 -0.192 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.233 119.604 119.950 -0.188 0.000 2.216 119 F HA -0.108 4.419 4.527 0.000 0.000 0.300 119 F C 2.662 178.393 175.800 -0.114 0.000 1.085 119 F CA 0.885 58.818 58.000 -0.111 0.000 1.326 119 F CB -0.965 38.009 39.000 -0.044 0.000 1.027 119 F HN 0.102 nan 8.300 nan 0.000 0.497 120 V N 0.079 119.989 119.914 -0.007 0.000 2.427 120 V HA -0.271 3.849 4.120 0.000 0.000 0.248 120 V C 1.919 177.957 176.094 -0.094 0.000 1.051 120 V CA 1.830 64.108 62.300 -0.036 0.000 1.048 120 V CB -0.858 30.883 31.823 -0.136 0.000 0.666 120 V HN 0.361 nan 8.190 nan 0.000 0.456 121 N N -0.247 118.306 118.700 -0.245 0.000 2.104 121 N HA -0.188 4.552 4.740 0.000 0.000 0.190 121 N C 1.831 177.206 175.510 -0.224 0.000 1.024 121 N CA 1.814 54.593 53.050 -0.451 0.000 0.853 121 N CB -0.211 37.575 38.487 -1.169 0.000 1.008 121 N HN 0.418 nan 8.380 nan 0.000 0.424 122 T N 0.552 115.009 114.554 -0.161 0.000 2.737 122 T HA -0.083 4.267 4.350 0.000 0.000 0.265 122 T C 2.068 176.742 174.700 -0.043 0.000 1.038 122 T CA 1.175 63.256 62.100 -0.031 0.000 1.144 122 T CB -0.326 68.503 68.868 -0.064 0.000 0.866 122 T HN 0.330 nan 8.240 nan 0.000 0.434 123 A N 1.935 124.737 122.820 -0.029 0.000 1.908 123 A HA -0.148 4.172 4.320 0.000 0.000 0.218 123 A C 2.260 179.839 177.584 -0.008 0.000 1.181 123 A CA 1.379 53.364 52.037 -0.088 0.000 0.627 123 A CB -0.330 18.564 19.000 -0.177 0.000 0.818 123 A HN 0.309 nan 8.150 nan 0.000 0.445 124 K N -0.617 119.782 120.400 -0.001 0.000 2.217 124 K HA -0.132 4.188 4.320 0.000 0.000 0.202 124 K C 2.116 178.701 176.600 -0.025 0.000 1.051 124 K CA 1.368 57.644 56.287 -0.019 0.000 0.952 124 K CB -0.170 32.291 32.500 -0.065 0.000 0.736 124 K HN 0.768 nan 8.250 nan 0.000 0.453 125 Q N -0.003 119.801 119.800 0.007 0.000 2.187 125 Q HA -0.065 4.275 4.340 0.000 0.000 0.199 125 Q C 0.674 176.663 176.000 -0.017 0.000 0.957 125 Q CA 1.268 57.081 55.803 0.016 0.000 0.857 125 Q CB 0.286 29.086 28.738 0.103 0.000 0.929 125 Q HN 0.418 nan 8.270 nan 0.000 0.453 126 G N -0.543 108.241 108.800 -0.027 0.000 2.141 126 G HA2 -0.145 3.815 3.960 0.000 0.000 0.231 126 G HA3 -0.145 3.815 3.960 0.000 0.000 0.231 126 G C -0.062 174.798 174.900 -0.067 0.000 0.984 126 G CA 0.171 45.246 45.100 -0.041 0.000 0.660 126 G HN 0.839 nan 8.290 nan 0.000 0.525 127 A N -1.286 121.491 122.820 -0.071 0.000 2.583 127 A HA 0.784 5.104 4.320 0.000 0.000 0.292 127 A C -3.152 174.399 177.584 -0.055 0.000 1.045 127 A CA -0.715 51.272 52.037 -0.083 0.000 0.672 127 A CB 0.700 19.662 19.000 -0.064 0.000 1.283 127 A HN 0.169 nan 8.150 nan 0.000 0.419 128 P HA 0.132 nan 4.420 nan 0.000 0.258 128 P C -0.338 177.027 177.300 0.109 0.000 1.172 128 P CA 0.512 63.629 63.100 0.029 0.000 0.762 128 P CB -0.138 31.581 31.700 0.032 0.000 0.764 129 F N 5.760 125.717 119.950 0.012 0.000 2.580 129 F HA -0.068 4.459 4.527 0.000 0.000 0.398 129 F C 1.175 176.997 175.800 0.037 0.000 1.023 129 F CA 0.377 58.393 58.000 0.027 0.000 1.188 129 F CB -0.440 38.601 39.000 0.068 0.000 1.005 129 F HN 0.272 nan 8.300 nan 0.000 0.546 130 L N 3.573 124.443 121.223 -0.587 0.000 3.976 130 L HA -0.327 4.013 4.340 0.000 0.000 0.418 130 L C 0.650 177.372 176.870 -0.247 0.000 1.177 130 L CA 0.546 55.056 54.840 -0.549 0.000 0.968 130 L CB -2.393 39.192 42.059 -0.790 0.000 1.933 130 L HN 0.722 nan 8.230 nan 0.000 0.976 131 S N -1.842 113.777 115.700 -0.134 0.000 2.645 131 S HA 0.522 4.992 4.470 0.000 0.000 0.266 131 S C 0.317 174.870 174.600 -0.079 0.000 1.258 131 S CA -0.052 58.107 58.200 -0.068 0.000 0.990 131 S CB 2.195 65.381 63.200 -0.023 0.000 0.967 131 S HN 0.272 nan 8.310 nan 0.000 0.556 132 S N 1.689 117.359 115.700 -0.050 0.000 2.474 132 S HA 0.453 4.923 4.470 0.000 0.000 0.321 132 S C -0.051 174.529 174.600 -0.034 0.000 1.080 132 S CA -1.022 57.151 58.200 -0.044 0.000 1.106 132 S CB -0.331 62.855 63.200 -0.023 0.000 0.984 132 S HN 0.781 nan 8.310 nan 0.000 0.464 133 M N 4.227 123.799 119.600 -0.046 0.000 2.243 133 M HA 0.539 5.019 4.480 0.000 0.000 0.341 133 M C -0.904 175.378 176.300 -0.030 0.000 1.130 133 M CA -0.411 54.864 55.300 -0.042 0.000 1.162 133 M CB 0.532 33.097 32.600 -0.058 0.000 1.497 133 M HN 0.252 nan 8.290 nan 0.000 0.456 134 V N 2.922 122.824 119.914 -0.021 0.000 2.439 134 V HA 0.564 4.684 4.120 0.000 0.000 0.282 134 V C 0.505 176.589 176.094 -0.016 0.000 1.039 134 V CA -0.143 62.151 62.300 -0.010 0.000 0.913 134 V CB 1.053 32.874 31.823 -0.004 0.000 0.983 134 V HN 1.106 nan 8.190 nan 0.000 0.460 135 T N -0.136 114.412 114.554 -0.010 0.000 2.838 135 T HA 0.357 4.707 4.350 0.000 0.000 0.292 135 T C 0.263 174.966 174.700 0.004 0.000 1.113 135 T CA -0.276 61.816 62.100 -0.015 0.000 1.008 135 T CB 1.922 70.767 68.868 -0.039 0.000 1.259 135 T HN 0.618 nan 8.240 nan 0.000 0.520 136 D N -0.136 120.265 120.400 0.003 0.000 2.328 136 D HA 0.084 4.724 4.640 0.000 0.000 0.226 136 D C 0.658 176.974 176.300 0.027 0.000 1.066 136 D CA -0.195 53.812 54.000 0.013 0.000 0.861 136 D CB -0.362 40.442 40.800 0.006 0.000 0.912 136 D HN 0.389 nan 8.370 nan 0.000 0.521 137 S N 1.824 117.549 115.700 0.042 0.000 2.525 137 S HA 0.089 4.559 4.470 0.000 0.000 0.285 137 S C -1.046 173.608 174.600 0.090 0.000 1.283 137 S CA -0.923 57.327 58.200 0.084 0.000 1.072 137 S CB 0.996 64.289 63.200 0.155 0.000 0.867 137 S HN 0.095 nan 8.310 nan 0.000 0.492 138 P HA 0.078 nan 4.420 nan 0.000 0.227 138 P C 0.134 177.451 177.300 0.028 0.000 1.161 138 P CA 0.286 63.409 63.100 0.039 0.000 0.788 138 P CB -0.020 31.695 31.700 0.025 0.000 0.822 139 I N 1.115 121.715 120.570 0.050 0.000 2.648 139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 139 I C 1.328 177.388 176.117 -0.095 0.000 1.153 139 I CA 0.274 61.543 61.300 -0.051 0.000 1.426 139 I CB 0.245 38.208 38.000 -0.061 0.000 1.381 139 I HN -0.274 nan 8.210 nan 0.000 0.571 140 K N 6.507 126.797 120.400 -0.184 0.000 3.000 140 K HA 0.105 4.425 4.320 0.000 0.000 0.265 140 K C -0.793 175.711 176.600 -0.158 0.000 1.260 140 K CA -0.061 56.150 56.287 -0.128 0.000 1.209 140 K CB -0.496 31.949 32.500 -0.092 0.000 1.484 140 K HN 0.358 nan 8.250 nan 0.000 0.283 141 Y N 0.542 120.831 120.300 -0.019 0.000 2.281 141 Y HA 0.339 4.889 4.550 0.000 0.000 0.337 141 Y C 1.532 177.418 175.900 -0.022 0.000 1.304 141 Y CA 0.634 58.719 58.100 -0.024 0.000 1.465 141 Y CB 0.869 39.313 38.460 -0.027 0.000 1.350 141 Y HN 0.479 nan 8.280 nan 0.000 0.575 142 G N 0.109 109.004 108.800 0.159 0.000 2.302 142 G HA2 -0.051 3.909 3.960 0.000 0.000 0.264 142 G HA3 -0.051 3.909 3.960 0.000 0.000 0.264 142 G C -1.727 173.197 174.900 0.040 0.000 1.335 142 G CA -0.856 44.289 45.100 0.075 0.000 0.982 142 G HN 0.545 nan 8.290 nan 0.000 0.473 143 D N 0.511 120.925 120.400 0.023 0.000 2.470 143 D HA 0.438 5.078 4.640 0.000 0.000 0.226 143 D C 1.354 177.661 176.300 0.012 0.000 1.196 143 D CA 0.191 54.198 54.000 0.013 0.000 0.979 143 D CB 0.742 41.550 40.800 0.013 0.000 1.059 143 D HN 0.269 nan 8.370 nan 0.000 0.515 144 V N 3.157 123.076 119.914 0.009 0.000 2.672 144 V HA -0.019 4.101 4.120 0.000 0.000 0.242 144 V C 1.873 177.969 176.094 0.004 0.000 1.059 144 V CA 0.696 62.998 62.300 0.003 0.000 1.081 144 V CB -0.089 31.732 31.823 -0.004 0.000 0.752 144 V HN 0.554 nan 8.190 nan 0.000 0.472 145 M N -0.407 119.194 119.600 0.002 0.000 2.371 145 M HA 0.289 4.769 4.480 0.000 0.000 0.246 145 M C 0.372 176.685 176.300 0.023 0.000 1.103 145 M CA 0.101 55.405 55.300 0.008 0.000 1.010 145 M CB -0.641 31.955 32.600 -0.006 0.000 1.457 145 M HN 0.377 nan 8.290 nan 0.000 0.486 146 N N 1.206 119.919 118.700 0.021 0.000 2.705 146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 146 N C 1.008 176.557 175.510 0.064 0.000 1.008 146 N CA 0.247 53.319 53.050 0.038 0.000 0.742 146 N CB -1.115 37.399 38.487 0.045 0.000 0.906 146 N HN 0.147 nan 8.380 nan 0.000 0.541 147 V N -0.211 119.724 119.914 0.036 0.000 2.261 147 V HA -0.104 4.016 4.120 0.000 0.000 0.246 147 V C 1.409 177.606 176.094 0.173 0.000 1.047 147 V CA 1.560 63.895 62.300 0.058 0.000 1.015 147 V CB 0.029 31.769 31.823 -0.138 0.000 0.642 147 V HN 0.404 nan 8.190 nan 0.000 0.446 148 I N 0.410 121.030 120.570 0.084 0.000 2.447 148 I HA 0.511 4.681 4.170 0.000 0.000 0.287 148 I C -1.110 175.042 176.117 0.057 0.000 1.023 148 I CA -0.323 61.035 61.300 0.096 0.000 1.083 148 I CB 1.805 39.842 38.000 0.062 0.000 1.245 148 I HN 0.252 nan 8.210 nan 0.000 0.434 149 D N 5.416 125.853 120.400 0.062 0.000 2.654 149 D HA 0.799 5.439 4.640 0.000 0.000 0.231 149 D C -1.703 174.638 176.300 0.068 0.000 1.239 149 D CA -0.345 53.689 54.000 0.057 0.000 0.790 149 D CB 2.316 43.152 40.800 0.059 0.000 1.480 149 D HN 0.711 nan 8.370 nan 0.000 0.442 150 A N 2.152 125.016 122.820 0.073 0.000 2.547 150 A HA 0.613 4.933 4.320 0.000 0.000 0.298 150 A C -2.877 174.784 177.584 0.129 0.000 1.062 150 A CA -1.130 50.975 52.037 0.113 0.000 0.748 150 A CB 1.497 20.548 19.000 0.085 0.000 1.288 150 A HN 0.419 nan 8.150 nan 0.000 0.396 151 P HA 0.266 nan 4.420 nan 0.000 0.268 151 P C 1.004 178.427 177.300 0.205 0.000 1.204 151 P CA 0.576 63.767 63.100 0.151 0.000 0.768 151 P CB 1.246 33.016 31.700 0.117 0.000 0.842 152 A N 3.592 126.491 122.820 0.132 0.000 1.978 152 A HA -0.040 4.280 4.320 0.000 0.000 0.220 152 A C 1.120 178.818 177.584 0.191 0.000 1.170 152 A CA 1.936 54.046 52.037 0.123 0.000 0.636 152 A CB -0.983 18.060 19.000 0.072 0.000 0.810 152 A HN 0.734 nan 8.150 nan 0.000 0.448 153 T N -3.795 110.863 114.554 0.173 0.000 2.883 153 T HA 0.679 5.029 4.350 0.000 0.000 0.301 153 T C -0.859 173.859 174.700 0.031 0.000 1.158 153 T CA -0.633 61.552 62.100 0.142 0.000 1.007 153 T CB 1.520 70.426 68.868 0.064 0.000 1.186 153 T HN 0.176 nan 8.240 nan 0.000 0.499 154 I N 1.708 122.218 120.570 -0.100 0.000 2.439 154 I HA 0.569 4.739 4.170 0.000 0.000 0.283 154 I C 0.606 176.638 176.117 -0.141 0.000 1.023 154 I CA -1.130 60.054 61.300 -0.194 0.000 1.100 154 I CB 1.444 39.190 38.000 -0.423 0.000 1.238 154 I HN 1.026 nan 8.210 nan 0.000 0.445 155 A N 4.688 127.455 122.820 -0.088 0.000 2.346 155 A HA 0.711 5.031 4.320 0.000 0.000 0.252 155 A C 0.637 178.180 177.584 -0.068 0.000 1.089 155 A CA -0.255 51.744 52.037 -0.063 0.000 0.797 155 A CB 0.455 19.433 19.000 -0.038 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.078 122.718 122.820 -0.040 0.000 2.567 156 A HA 0.458 4.778 4.320 0.000 0.000 0.240 156 A C 1.612 179.177 177.584 -0.030 0.000 1.053 156 A CA 0.915 52.942 52.037 -0.016 0.000 0.755 156 A CB -1.000 18.021 19.000 0.035 0.000 0.978 156 A HN 2.753 nan 8.150 nan 0.000 0.507 157 G N 0.658 109.432 108.800 -0.043 0.000 2.176 157 G HA2 0.154 4.114 3.960 0.000 0.000 0.253 157 G HA3 0.154 4.114 3.960 0.000 0.000 0.253 157 G C 0.506 175.373 174.900 -0.055 0.000 0.979 157 G CA 0.613 45.685 45.100 -0.046 0.000 0.641 157 G HN 2.198 nan 8.290 nan 0.000 0.530 158 A N -0.613 122.166 122.820 -0.070 0.000 2.281 158 A HA 0.889 5.209 4.320 0.000 0.000 0.329 158 A C 0.153 177.681 177.584 -0.093 0.000 1.122 158 A CA 0.501 52.495 52.037 -0.071 0.000 0.850 158 A CB 1.273 20.232 19.000 -0.067 0.000 1.207 158 A HN 0.699 nan 8.150 nan 0.000 0.495 159 T N 0.575 115.085 114.554 -0.074 0.000 2.812 159 T HA 0.625 4.975 4.350 0.000 0.000 0.282 159 T C 0.160 174.825 174.700 -0.059 0.000 0.990 159 T CA 0.017 62.073 62.100 -0.073 0.000 0.960 159 T CB 1.528 70.370 68.868 -0.045 0.000 0.948 159 T HN 1.053 nan 8.240 nan 0.000 0.438 160 G N 1.878 110.636 108.800 -0.070 0.000 2.432 160 G HA2 0.658 4.618 3.960 0.000 0.000 0.331 160 G HA3 0.658 4.618 3.960 0.000 0.000 0.331 160 G C -0.960 173.954 174.900 0.023 0.000 1.170 160 G CA -0.609 44.476 45.100 -0.025 0.000 0.943 160 G HN 0.488 nan 8.290 nan 0.000 0.483 161 E N 0.244 120.474 120.200 0.049 0.000 2.183 161 E HA 0.560 4.910 4.350 0.000 0.000 0.271 161 E C -0.980 175.677 176.600 0.095 0.000 0.919 161 E CA -0.579 55.860 56.400 0.065 0.000 0.781 161 E CB 2.470 32.197 29.700 0.045 0.000 1.140 161 E HN 0.143 nan 8.360 nan 0.000 0.402 162 L N 1.107 122.397 121.223 0.111 0.000 2.370 162 L HA 0.525 4.865 4.340 0.000 0.000 0.266 162 L C -0.012 176.915 176.870 0.095 0.000 1.002 162 L CA -0.616 54.297 54.840 0.122 0.000 0.818 162 L CB 2.078 44.240 42.059 0.172 0.000 1.325 162 L HN 0.547 nan 8.230 nan 0.000 0.418 163 T N -0.209 114.396 114.554 0.085 0.000 2.916 163 T HA 0.840 5.190 4.350 0.000 0.000 0.298 163 T C -0.718 174.021 174.700 0.065 0.000 1.031 163 T CA -0.585 61.559 62.100 0.072 0.000 0.993 163 T CB 1.765 70.697 68.868 0.107 0.000 1.045 163 T HN 0.465 nan 8.240 nan 0.000 0.454 164 M N 2.531 122.137 119.600 0.010 0.000 2.470 164 M HA 0.713 5.193 4.480 0.000 0.000 0.285 164 M C -2.479 173.756 176.300 -0.108 0.000 1.213 164 M CA -0.833 54.449 55.300 -0.031 0.000 0.901 164 M CB 1.925 34.481 32.600 -0.073 0.000 1.718 164 M HN 0.777 nan 8.290 nan 0.000 0.469 165 Y N 2.545 122.804 120.300 -0.069 0.000 2.462 165 Y HA 0.708 5.258 4.550 0.000 0.000 0.346 165 Y C -1.561 174.373 175.900 0.057 0.000 0.976 165 Y CA -0.348 57.822 58.100 0.116 0.000 1.044 165 Y CB 2.103 40.690 38.460 0.212 0.000 1.230 165 Y HN 0.621 nan 8.280 nan 0.000 0.455 166 Y N 1.340 121.926 120.300 0.477 0.000 2.477 166 Y HA 0.266 4.816 4.550 0.000 0.000 0.347 166 Y C -0.952 175.166 175.900 0.364 0.000 0.981 166 Y CA -1.512 56.769 58.100 0.302 0.000 1.033 166 Y CB 1.949 40.469 38.460 0.100 0.000 1.245 166 Y HN 0.648 nan 8.280 nan 0.000 0.455 167 W N 5.253 126.641 121.300 0.148 0.000 2.329 167 W HA 0.656 5.316 4.660 -0.000 0.000 0.312 167 W C -1.846 174.696 176.519 0.039 0.000 1.054 167 W CA -1.012 56.408 57.345 0.125 0.000 1.245 167 W CB 1.399 30.889 29.460 0.050 0.000 1.255 167 W HN 0.305 nan 8.180 nan 0.000 0.436 168 V N 9.447 129.077 119.914 -0.473 0.000 2.334 168 V HA 0.185 4.305 4.120 0.000 0.000 0.267 168 V C -1.596 173.995 176.094 -0.839 0.000 1.040 168 V CA -1.560 60.463 62.300 -0.462 0.000 0.866 168 V CB 0.892 32.576 31.823 -0.231 0.000 1.019 168 V HN 0.367 nan 8.190 nan 0.000 0.468 169 P HA 0.392 nan 4.420 nan 0.000 0.282 169 P C 0.046 177.219 177.300 -0.212 0.000 1.249 169 P CA -0.302 62.598 63.100 -0.333 0.000 0.806 169 P CB 2.499 34.323 31.700 0.206 0.000 0.984 170 L N 1.334 122.481 121.223 -0.127 0.000 2.675 170 L HA 0.326 4.666 4.340 0.000 0.000 0.178 170 L C 1.370 178.363 176.870 0.205 0.000 1.135 170 L CA 0.103 54.892 54.840 -0.084 0.000 0.855 170 L CB -0.790 41.094 42.059 -0.292 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.919 121.996 122.820 0.158 0.000 2.407 171 A HA -0.007 4.313 4.320 0.000 0.000 0.248 171 A C 0.515 178.265 177.584 0.276 0.000 1.082 171 A CA 0.015 52.170 52.037 0.197 0.000 0.785 171 A CB -0.003 19.074 19.000 0.129 0.000 1.020 171 A HN 0.357 nan 8.150 nan 0.000 0.489 172 Y N 2.262 122.566 120.300 0.006 0.000 2.200 172 Y HA -0.010 4.540 4.550 0.000 0.000 0.290 172 Y C 1.272 177.140 175.900 -0.053 0.000 1.137 172 Y CA 1.726 59.662 58.100 -0.274 0.000 1.163 172 Y CB 0.008 38.325 38.460 -0.239 0.000 0.988 172 Y HN 0.876 nan 8.280 nan 0.000 0.518 173 S N -2.127 113.547 115.700 -0.043 0.000 2.790 173 S HA 0.250 4.720 4.470 0.000 0.000 0.292 173 S C 0.492 175.075 174.600 -0.028 0.000 1.197 173 S CA -0.299 57.832 58.200 -0.116 0.000 0.851 173 S CB 1.261 64.369 63.200 -0.152 0.000 1.217 173 S HN 0.035 nan 8.310 nan 0.000 0.526 174 E N 0.660 120.814 120.200 -0.077 0.000 2.204 174 E HA -0.012 4.338 4.350 0.000 0.000 0.194 174 E C 1.588 178.162 176.600 -0.042 0.000 0.989 174 E CA 2.205 58.561 56.400 -0.073 0.000 0.824 174 E CB -0.324 29.303 29.700 -0.120 0.000 0.756 174 E HN 0.791 nan 8.360 nan 0.000 0.477 175 T N -3.218 111.323 114.554 -0.021 0.000 2.985 175 T HA 0.111 4.461 4.350 0.000 0.000 0.254 175 T C 0.262 174.975 174.700 0.021 0.000 1.021 175 T CA -0.086 62.011 62.100 -0.006 0.000 0.957 175 T CB 0.175 69.039 68.868 -0.007 0.000 1.047 175 T HN -0.057 nan 8.240 nan 0.000 0.511 176 D N 1.238 121.673 120.400 0.058 0.000 2.441 176 D HA 0.310 4.950 4.640 0.000 0.000 0.231 176 D C 0.647 176.990 176.300 0.072 0.000 1.073 176 D CA -0.717 53.331 54.000 0.080 0.000 0.850 176 D CB 0.957 41.871 40.800 0.190 0.000 1.062 176 D HN 0.205 nan 8.370 nan 0.000 0.524 177 L N 2.547 123.784 121.223 0.023 0.000 2.645 177 L HA 0.078 4.418 4.340 0.000 0.000 0.235 177 L C 0.752 177.621 176.870 -0.002 0.000 1.150 177 L CA 0.195 55.047 54.840 0.020 0.000 0.911 177 L CB -0.386 41.676 42.059 0.004 0.000 1.077 177 L HN 0.264 nan 8.230 nan 0.000 0.438 178 T N 0.760 115.280 114.554 -0.058 0.000 2.871 178 T HA 0.246 4.596 4.350 0.000 0.000 0.296 178 T C 1.241 175.920 174.700 -0.034 0.000 0.998 178 T CA 1.012 62.998 62.100 -0.189 0.000 1.162 178 T CB 0.904 69.438 68.868 -0.556 0.000 0.947 178 T HN 0.622 nan 8.240 nan 0.000 0.536 179 G N 2.054 110.861 108.800 0.012 0.000 2.194 179 G HA2 -0.087 3.873 3.960 0.000 0.000 0.236 179 G HA3 -0.087 3.873 3.960 0.000 0.000 0.236 179 G C 0.366 175.372 174.900 0.177 0.000 0.987 179 G CA -0.047 45.164 45.100 0.185 0.000 0.635 179 G HN 1.147 nan 8.290 nan 0.000 0.520 180 A N -0.494 122.386 122.820 0.099 0.000 2.386 180 A HA 0.654 4.974 4.320 0.000 0.000 0.246 180 A C 0.393 178.017 177.584 0.067 0.000 1.089 180 A CA 0.783 52.853 52.037 0.056 0.000 0.790 180 A CB 0.864 19.884 19.000 0.034 0.000 1.042 180 A HN 1.207 nan 8.150 nan 0.000 0.497 181 V N 1.615 121.547 119.914 0.029 0.000 2.487 181 V HA 0.318 4.438 4.120 0.000 0.000 0.298 181 V C -0.574 175.550 176.094 0.050 0.000 1.028 181 V CA -0.505 61.834 62.300 0.064 0.000 0.860 181 V CB 1.412 33.274 31.823 0.065 0.000 0.991 181 V HN 0.778 nan 8.190 nan 0.000 0.427 182 L N 5.396 126.655 121.223 0.061 0.000 2.283 182 L HA 0.706 5.046 4.340 0.000 0.000 0.287 182 L C 0.496 177.397 176.870 0.051 0.000 1.073 182 L CA 0.153 55.018 54.840 0.042 0.000 0.822 182 L CB 0.740 42.828 42.059 0.048 0.000 1.186 182 L HN 0.740 nan 8.230 nan 0.000 0.436 183 A N 5.050 127.889 122.820 0.032 0.000 2.786 183 A HA 0.395 4.715 4.320 0.000 0.000 0.346 183 A C 0.212 177.805 177.584 0.016 0.000 1.265 183 A CA -0.360 51.697 52.037 0.032 0.000 0.858 183 A CB -0.588 18.432 19.000 0.034 0.000 1.118 183 A HN 0.901 nan 8.150 nan 0.000 0.482 184 N N 0.449 119.173 118.700 0.040 0.000 2.299 184 N HA 0.180 4.920 4.740 0.000 0.000 0.246 184 N C -0.926 174.617 175.510 0.056 0.000 1.254 184 N CA -0.271 52.811 53.050 0.053 0.000 0.879 184 N CB 1.127 39.675 38.487 0.102 0.000 1.214 184 N HN 0.122 nan 8.380 nan 0.000 0.510 185 V N 2.435 122.375 119.914 0.042 0.000 2.270 185 V HA 0.247 4.367 4.120 0.000 0.000 0.263 185 V C -1.337 174.771 176.094 0.023 0.000 1.066 185 V CA -1.381 60.940 62.300 0.035 0.000 0.857 185 V CB 1.065 32.908 31.823 0.034 0.000 1.099 185 V HN 0.034 nan 8.190 nan 0.000 0.476 186 P HA -0.242 nan 4.420 nan 0.000 0.222 186 P C 1.171 178.475 177.300 0.007 0.000 1.154 186 P CA 1.637 64.745 63.100 0.013 0.000 0.874 186 P CB 0.214 31.923 31.700 0.015 0.000 0.787 187 Q N -2.142 117.661 119.800 0.006 0.000 2.247 187 Q HA 0.182 4.522 4.340 0.000 0.000 0.211 187 Q C -0.145 175.852 176.000 -0.005 0.000 0.861 187 Q CA 0.058 55.860 55.803 -0.001 0.000 0.949 187 Q CB 0.502 29.239 28.738 -0.001 0.000 1.115 187 Q HN 0.098 nan 8.270 nan 0.000 0.507 188 S N 2.316 118.016 115.700 -0.001 0.000 2.520 188 S HA 0.217 4.687 4.470 0.000 0.000 0.324 188 S C -0.405 174.190 174.600 -0.008 0.000 1.069 188 S CA -0.721 57.476 58.200 -0.005 0.000 1.121 188 S CB 0.482 63.686 63.200 0.006 0.000 0.971 188 S HN 0.183 nan 8.310 nan 0.000 0.463 189 K N 2.808 123.193 120.400 -0.025 0.000 2.118 189 K HA 0.408 4.728 4.320 0.000 0.000 0.264 189 K C -0.382 176.186 176.600 -0.053 0.000 1.000 189 K CA -0.768 55.500 56.287 -0.031 0.000 0.929 189 K CB 0.979 33.455 32.500 -0.041 0.000 1.021 189 K HN 0.431 nan 8.250 nan 0.000 0.463 190 Q N 1.037 120.810 119.800 -0.045 0.000 2.199 190 Q HA 0.366 4.706 4.340 0.000 0.000 0.232 190 Q C -0.653 175.252 176.000 -0.158 0.000 0.969 190 Q CA -0.756 54.981 55.803 -0.110 0.000 0.925 190 Q CB 1.343 30.092 28.738 0.018 0.000 1.198 190 Q HN 0.441 nan 8.270 nan 0.000 0.494 191 R N 0.862 121.195 120.500 -0.278 0.000 2.515 191 R HA 0.401 4.741 4.340 0.000 0.000 0.291 191 R C -1.745 174.423 176.300 -0.220 0.000 1.046 191 R CA -0.772 55.209 56.100 -0.197 0.000 0.914 191 R CB 1.329 31.538 30.300 -0.153 0.000 1.191 191 R HN 0.356 nan 8.270 nan 0.000 0.435 192 L N 3.513 124.620 121.223 -0.194 0.000 2.324 192 L HA 0.398 4.738 4.340 0.000 0.000 0.274 192 L C -0.704 176.056 176.870 -0.184 0.000 1.012 192 L CA -0.223 54.488 54.840 -0.216 0.000 0.859 192 L CB 1.040 42.835 42.059 -0.439 0.000 1.224 192 L HN 0.426 nan 8.230 nan 0.000 0.429 193 K N 5.625 125.944 120.400 -0.135 0.000 2.227 193 K HA 0.544 4.864 4.320 0.000 0.000 0.280 193 K C -1.464 175.003 176.600 -0.223 0.000 1.041 193 K CA -0.495 55.712 56.287 -0.133 0.000 0.905 193 K CB 0.667 33.130 32.500 -0.060 0.000 1.068 193 K HN 0.687 nan 8.250 nan 0.000 0.470 194 L N 4.533 125.596 121.223 -0.266 0.000 2.325 194 L HA 0.364 4.704 4.340 0.000 0.000 0.281 194 L C -0.489 176.128 176.870 -0.422 0.000 1.004 194 L CA -0.600 53.951 54.840 -0.482 0.000 0.823 194 L CB 1.797 43.437 42.059 -0.698 0.000 1.236 194 L HN 0.609 nan 8.230 nan 0.000 0.415 195 E N 3.792 123.727 120.200 -0.441 0.000 2.114 195 E HA 0.390 4.740 4.350 0.000 0.000 0.266 195 E C -1.105 175.316 176.600 -0.299 0.000 0.896 195 E CA -0.464 55.792 56.400 -0.239 0.000 0.750 195 E CB 1.435 31.047 29.700 -0.147 0.000 1.121 195 E HN 0.256 nan 8.360 nan 0.000 0.413 196 F N 1.304 121.276 119.950 0.036 0.000 2.370 196 F HA 0.404 4.931 4.527 0.000 0.000 0.319 196 F C 1.110 176.931 175.800 0.036 0.000 1.129 196 F CA -0.733 57.301 58.000 0.057 0.000 1.109 196 F CB 0.652 39.762 39.000 0.184 0.000 1.262 196 F HN 0.396 nan 8.300 nan 0.000 0.534 197 A N 1.661 124.620 122.820 0.232 0.000 2.406 197 A HA 0.436 4.756 4.320 0.000 0.000 0.243 197 A C -0.255 177.377 177.584 0.079 0.000 1.082 197 A CA -0.264 51.871 52.037 0.163 0.000 0.786 197 A CB -0.088 19.061 19.000 0.249 0.000 1.029 197 A HN 0.857 nan 8.150 nan 0.000 0.495 198 N N -0.626 118.191 118.700 0.194 0.000 3.102 198 N HA 0.234 4.974 4.740 0.000 0.000 0.299 198 N C -0.042 175.717 175.510 0.416 0.000 1.482 198 N CA -0.822 52.376 53.050 0.248 0.000 0.785 198 N CB 0.103 38.702 38.487 0.186 0.000 1.680 198 N HN 0.293 nan 8.380 nan 0.000 0.594 199 N N -0.293 118.680 118.700 0.454 0.000 2.272 199 N HA -0.166 4.574 4.740 0.000 0.000 0.185 199 N C 0.888 176.581 175.510 0.306 0.000 1.014 199 N CA 1.085 54.416 53.050 0.468 0.000 0.870 199 N CB -0.606 38.141 38.487 0.433 0.000 0.975 199 N HN 0.682 nan 8.380 nan 0.000 0.433 200 N N 0.300 119.126 118.700 0.211 0.000 2.135 200 N HA -0.106 4.634 4.740 0.000 0.000 0.186 200 N C 1.696 177.268 175.510 0.103 0.000 1.027 200 N CA 2.057 55.199 53.050 0.154 0.000 0.849 200 N CB -0.417 38.145 38.487 0.124 0.000 1.002 200 N HN 0.313 nan 8.380 nan 0.000 0.425 201 T N -2.837 111.768 114.554 0.085 0.000 2.942 201 T HA 0.161 4.511 4.350 0.000 0.000 0.265 201 T C 1.854 176.531 174.700 -0.038 0.000 1.062 201 T CA 0.931 63.062 62.100 0.052 0.000 1.139 201 T CB -0.523 68.396 68.868 0.085 0.000 0.883 201 T HN 0.209 nan 8.240 nan 0.000 0.468 202 A N 0.582 123.283 122.820 -0.198 0.000 2.067 202 A HA 0.407 4.727 4.320 0.000 0.000 0.217 202 A C 0.271 177.409 177.584 -0.743 0.000 1.156 202 A CA 0.120 51.825 52.037 -0.554 0.000 0.683 202 A CB -0.406 18.047 19.000 -0.912 0.000 0.808 202 A HN 0.526 nan 8.150 nan 0.000 0.455 203 F N -0.525 119.477 119.950 0.088 0.000 2.449 203 F HA 0.671 5.198 4.527 0.000 0.000 0.342 203 F C 0.269 176.101 175.800 0.052 0.000 1.127 203 F CA -1.488 56.549 58.000 0.062 0.000 0.975 203 F CB 1.422 40.439 39.000 0.029 0.000 1.146 203 F HN 0.082 nan 8.300 nan 0.000 0.444 204 A N 2.095 125.028 122.820 0.188 0.000 2.318 204 A HA 0.872 5.192 4.320 0.000 0.000 0.324 204 A C -0.145 177.496 177.584 0.094 0.000 1.170 204 A CA -0.565 51.537 52.037 0.109 0.000 0.810 204 A CB 0.649 19.680 19.000 0.052 0.000 1.198 204 A HN 0.943 nan 8.150 nan 0.000 0.484 205 A N 1.667 124.531 122.820 0.072 0.000 2.346 205 A HA 0.531 4.851 4.320 0.000 0.000 0.252 205 A C 0.439 178.039 177.584 0.028 0.000 1.089 205 A CA -0.291 51.773 52.037 0.045 0.000 0.797 205 A CB -0.023 19.002 19.000 0.042 0.000 1.047 205 A HN 1.206 nan 8.150 nan 0.000 0.494 206 V N 1.072 120.993 119.914 0.011 0.000 2.694 206 V HA 0.357 4.477 4.120 0.000 0.000 0.306 206 V C 1.723 177.822 176.094 0.008 0.000 1.054 206 V CA 1.861 64.164 62.300 0.005 0.000 1.161 206 V CB 0.062 31.882 31.823 -0.006 0.000 0.916 206 V HN 1.975 nan 8.190 nan 0.000 0.490 207 G N 3.214 112.017 108.800 0.006 0.000 2.234 207 G HA2 -0.157 3.803 3.960 0.000 0.000 0.260 207 G HA3 -0.157 3.803 3.960 0.000 0.000 0.260 207 G C 0.430 175.335 174.900 0.008 0.000 0.987 207 G CA 0.341 45.443 45.100 0.003 0.000 0.625 207 G HN 1.527 nan 8.290 nan 0.000 0.532 208 A N -0.209 122.622 122.820 0.017 0.000 2.271 208 A HA 0.647 4.967 4.320 0.000 0.000 0.288 208 A C 0.526 178.126 177.584 0.027 0.000 1.094 208 A CA 0.128 52.178 52.037 0.023 0.000 0.828 208 A CB 0.376 19.397 19.000 0.034 0.000 1.091 208 A HN 0.531 nan 8.150 nan 0.000 0.493 209 N N 1.229 119.948 118.700 0.033 0.000 2.431 209 N HA 0.129 4.869 4.740 0.000 0.000 0.265 209 N C -1.683 173.848 175.510 0.034 0.000 1.184 209 N CA -1.450 51.634 53.050 0.057 0.000 0.943 209 N CB 0.982 39.504 38.487 0.059 0.000 1.080 209 N HN 0.346 nan 8.380 nan 0.000 0.477 210 P HA -0.035 nan 4.420 nan 0.000 0.249 210 P C 1.551 178.671 177.300 -0.299 0.000 1.229 210 P CA -0.088 62.935 63.100 -0.128 0.000 0.788 210 P CB 0.456 32.055 31.700 -0.168 0.000 1.072 211 L N 1.560 122.623 121.223 -0.266 0.000 2.010 211 L HA -0.201 4.139 4.340 0.000 0.000 0.219 211 L C 1.713 178.393 176.870 -0.316 0.000 1.077 211 L CA 2.193 56.767 54.840 -0.444 0.000 0.773 211 L CB -1.035 40.987 42.059 -0.062 0.000 0.892 211 L HN -0.057 nan 8.230 nan 0.000 0.436 212 E N -0.673 119.489 120.200 -0.063 0.000 2.481 212 E HA 0.312 4.662 4.350 0.000 0.000 0.198 212 E C 0.475 177.101 176.600 0.044 0.000 1.027 212 E CA 0.170 56.619 56.400 0.081 0.000 0.900 212 E CB 0.215 30.004 29.700 0.149 0.000 0.993 212 E HN 0.586 nan 8.360 nan 0.000 0.482 213 A N 0.589 123.383 122.820 -0.042 0.000 2.271 213 A HA 0.396 4.716 4.320 0.000 0.000 0.288 213 A C 0.782 178.321 177.584 -0.076 0.000 1.094 213 A CA -0.358 51.646 52.037 -0.056 0.000 0.828 213 A CB 0.487 19.458 19.000 -0.048 0.000 1.091 213 A HN 0.123 nan 8.150 nan 0.000 0.493 214 I N -1.383 119.127 120.570 -0.099 0.000 3.039 214 I HA 0.117 4.287 4.170 0.000 0.000 0.270 214 I C -0.395 175.515 176.117 -0.346 0.000 1.150 214 I CA 0.656 61.859 61.300 -0.162 0.000 1.448 214 I CB 0.009 37.964 38.000 -0.075 0.000 1.197 214 I HN 0.581 nan 8.210 nan 0.000 0.450 215 Y N 0.428 120.752 120.300 0.039 0.000 2.499 215 Y HA 0.564 5.114 4.550 0.000 0.000 0.347 215 Y C -0.269 175.692 175.900 0.102 0.000 0.987 215 Y CA -0.795 57.367 58.100 0.104 0.000 1.044 215 Y CB 1.722 40.306 38.460 0.206 0.000 1.245 215 Y HN -0.065 nan 8.280 nan 0.000 0.461 216 Q N 1.528 121.450 119.800 0.203 0.000 2.331 216 Q HA 0.762 5.102 4.340 0.000 0.000 0.272 216 Q C -1.012 175.042 176.000 0.090 0.000 1.062 216 Q CA -0.635 55.239 55.803 0.118 0.000 0.806 216 Q CB 2.550 31.311 28.738 0.040 0.000 1.312 216 Q HN 0.968 nan 8.270 nan 0.000 0.431 217 G N 0.479 109.308 108.800 0.049 0.000 2.316 217 G HA2 0.381 4.341 3.960 0.000 0.000 0.296 217 G HA3 0.381 4.341 3.960 0.000 0.000 0.296 217 G C -0.372 174.494 174.900 -0.057 0.000 1.399 217 G CA -0.136 44.962 45.100 -0.003 0.000 0.833 217 G HN 0.679 nan 8.290 nan 0.000 0.565 218 A N -0.858 121.896 122.820 -0.109 0.000 2.178 218 A HA 0.355 4.675 4.320 0.000 0.000 0.218 218 A C 2.152 179.503 177.584 -0.389 0.000 1.157 218 A CA 2.515 54.441 52.037 -0.185 0.000 0.689 218 A CB -0.366 18.529 19.000 -0.175 0.000 0.787 218 A HN 1.912 nan 8.150 nan 0.000 0.465 219 G N -1.712 106.866 108.800 -0.368 0.000 3.189 219 G HA2 0.336 4.296 3.960 0.000 0.000 0.225 219 G HA3 0.336 4.296 3.960 0.000 0.000 0.225 219 G C 1.306 176.109 174.900 -0.161 0.000 1.159 219 G CA 0.834 45.664 45.100 -0.450 0.000 0.763 219 G HN 0.582 nan 8.290 nan 0.000 0.549 220 A N 1.540 124.302 122.820 -0.097 0.000 1.892 220 A HA 0.066 4.386 4.320 0.000 0.000 0.218 220 A C 2.769 180.340 177.584 -0.021 0.000 1.188 220 A CA 2.343 54.364 52.037 -0.027 0.000 0.631 220 A CB -0.775 18.273 19.000 0.080 0.000 0.822 220 A HN 0.829 nan 8.150 nan 0.000 0.447 221 A N -0.726 122.113 122.820 0.033 0.000 2.024 221 A HA -0.165 4.155 4.320 0.000 0.000 0.220 221 A C 1.371 178.962 177.584 0.013 0.000 1.164 221 A CA 1.796 53.864 52.037 0.052 0.000 0.643 221 A CB -0.359 18.688 19.000 0.077 0.000 0.806 221 A HN 0.491 nan 8.150 nan 0.000 0.451 222 D N -1.208 119.190 120.400 -0.002 0.000 2.388 222 D HA 0.185 4.825 4.640 0.000 0.000 0.221 222 D C -0.385 175.801 176.300 -0.191 0.000 1.133 222 D CA -0.027 53.940 54.000 -0.055 0.000 0.831 222 D CB -0.127 40.670 40.800 -0.005 0.000 0.962 222 D HN 0.283 nan 8.370 nan 0.000 0.502 223 C N 1.150 120.217 119.300 -0.389 0.000 2.401 223 C HA 0.473 4.933 4.460 0.000 0.000 0.365 223 C C 0.606 175.168 174.990 -0.713 0.000 1.250 223 C CA -0.473 58.071 59.018 -0.792 0.000 2.131 223 C CB 0.802 27.579 27.740 -1.606 0.000 2.445 223 C HN 0.205 nan 8.230 nan 0.000 0.550 224 E N 0.620 120.520 120.200 -0.500 0.000 2.343 224 E HA 0.373 4.723 4.350 0.000 0.000 0.278 224 E C -1.412 175.204 176.600 0.025 0.000 0.910 224 E CA -0.539 55.814 56.400 -0.079 0.000 0.757 224 E CB 1.510 31.212 29.700 0.004 0.000 1.218 224 E HN 0.443 nan 8.360 nan 0.000 0.435 225 F N 1.786 121.886 119.950 0.250 0.000 2.459 225 F HA 0.064 4.591 4.527 0.000 0.000 0.346 225 F C 1.799 177.637 175.800 0.064 0.000 1.128 225 F CA 0.342 58.445 58.000 0.172 0.000 1.268 225 F CB 0.715 39.800 39.000 0.141 0.000 1.161 225 F HN 0.492 nan 8.300 nan 0.000 0.583 226 E N 1.115 121.449 120.200 0.223 0.000 2.201 226 E HA 0.040 4.390 4.350 0.000 0.000 0.193 226 E C -0.156 176.481 176.600 0.062 0.000 0.957 226 E CA 0.588 57.050 56.400 0.103 0.000 0.858 226 E CB 0.329 30.059 29.700 0.049 0.000 0.816 226 E HN 0.813 nan 8.360 nan 0.000 0.475 227 E N -0.559 119.671 120.200 0.049 0.000 2.403 227 E HA 0.500 4.851 4.350 0.000 0.000 0.280 227 E C -1.152 175.291 176.600 -0.262 0.000 1.101 227 E CA -0.527 55.786 56.400 -0.145 0.000 0.856 227 E CB 0.927 30.538 29.700 -0.147 0.000 1.303 227 E HN -0.131 nan 8.360 nan 0.000 0.441 228 I N 0.891 121.053 120.570 -0.681 0.000 2.686 228 I HA 0.510 4.680 4.170 0.000 0.000 0.295 228 I C -0.965 174.616 176.117 -0.893 0.000 1.114 228 I CA -0.856 59.969 61.300 -0.791 0.000 1.038 228 I CB 2.407 39.712 38.000 -1.158 0.000 1.238 228 I HN 0.535 nan 8.210 nan 0.000 0.420 229 S N 3.590 118.994 115.700 -0.492 0.000 2.548 229 S HA 0.726 5.196 4.470 0.000 0.000 0.286 229 S C -1.512 172.980 174.600 -0.180 0.000 1.098 229 S CA -0.585 57.398 58.200 -0.361 0.000 0.930 229 S CB 1.974 65.032 63.200 -0.235 0.000 1.070 229 S HN 0.515 nan 8.310 nan 0.000 0.480 230 Y N -1.085 119.119 120.300 -0.159 0.000 2.553 230 Y HA 0.860 5.410 4.550 0.000 0.000 0.347 230 Y C -0.905 174.968 175.900 -0.045 0.000 1.019 230 Y CA -0.889 57.182 58.100 -0.048 0.000 1.032 230 Y CB 1.147 39.657 38.460 0.083 0.000 1.284 230 Y HN 0.421 nan 8.280 nan 0.000 0.466 231 T N 3.024 117.708 114.554 0.216 0.000 2.937 231 T HA 0.509 4.859 4.350 0.000 0.000 0.297 231 T C -1.427 173.368 174.700 0.159 0.000 0.991 231 T CA -0.643 61.500 62.100 0.073 0.000 0.990 231 T CB 1.396 70.246 68.868 -0.030 0.000 0.991 231 T HN 0.623 nan 8.240 nan 0.000 0.440 232 V N 4.232 124.218 119.914 0.119 0.000 2.394 232 V HA 0.473 4.593 4.120 0.000 0.000 0.282 232 V C -1.088 175.036 176.094 0.050 0.000 1.031 232 V CA -0.733 61.663 62.300 0.159 0.000 0.881 232 V CB 0.720 32.630 31.823 0.145 0.000 0.982 232 V HN 0.802 nan 8.190 nan 0.000 0.451 233 Y N 3.007 123.488 120.300 0.303 0.000 2.352 233 Y HA 0.503 5.053 4.550 0.000 0.000 0.339 233 Y C 0.299 176.395 175.900 0.326 0.000 0.992 233 Y CA -0.365 57.909 58.100 0.290 0.000 1.100 233 Y CB 1.700 40.323 38.460 0.272 0.000 1.192 233 Y HN 0.559 nan 8.280 nan 0.000 0.458 234 Q N 2.089 122.151 119.800 0.437 0.000 2.290 234 Q HA 0.445 4.785 4.340 0.000 0.000 0.259 234 Q C -0.925 175.224 176.000 0.248 0.000 0.941 234 Q CA -0.559 55.407 55.803 0.272 0.000 0.912 234 Q CB 1.332 30.272 28.738 0.337 0.000 1.244 234 Q HN 0.662 nan 8.270 nan 0.000 0.441 235 S N 4.196 119.939 115.700 0.071 0.000 2.442 235 S HA 0.625 5.095 4.470 0.000 0.000 0.297 235 S C -1.392 173.269 174.600 0.101 0.000 1.131 235 S CA -0.355 57.912 58.200 0.112 0.000 1.092 235 S CB 0.222 63.596 63.200 0.291 0.000 0.998 235 S HN 0.559 nan 8.310 nan 0.000 0.478 236 Y N 2.090 122.378 120.300 -0.021 0.000 2.705 236 Y HA 0.712 5.262 4.550 0.000 0.000 0.332 236 Y C -1.884 174.002 175.900 -0.022 0.000 1.221 236 Y CA -1.560 56.516 58.100 -0.039 0.000 1.059 236 Y CB 0.820 39.258 38.460 -0.037 0.000 1.298 236 Y HN 0.404 nan 8.280 nan 0.000 0.459 237 L N 2.399 123.712 121.223 0.150 0.000 2.313 237 L HA 0.485 4.825 4.340 0.000 0.000 0.283 237 L C -0.946 176.027 176.870 0.171 0.000 1.013 237 L CA -0.555 54.314 54.840 0.050 0.000 0.816 237 L CB 1.443 43.508 42.059 0.010 0.000 1.236 237 L HN 0.667 nan 8.230 nan 0.000 0.419 238 D N 1.609 122.090 120.400 0.136 0.000 2.442 238 D HA 0.250 4.890 4.640 0.000 0.000 0.254 238 D C -0.338 176.022 176.300 0.100 0.000 1.069 238 D CA 0.038 54.146 54.000 0.181 0.000 1.017 238 D CB 1.176 42.123 40.800 0.245 0.000 1.172 238 D HN 0.304 nan 8.370 nan 0.000 0.561 239 Q N 0.135 119.985 119.800 0.084 0.000 2.459 239 Q HA -0.175 4.165 4.340 0.000 0.000 0.322 239 Q C -0.626 175.390 176.000 0.027 0.000 1.427 239 Q CA 0.385 56.227 55.803 0.065 0.000 0.861 239 Q CB -1.742 27.044 28.738 0.079 0.000 1.137 239 Q HN 0.461 nan 8.270 nan 0.000 0.394 240 L N 2.155 123.344 121.223 -0.057 0.000 2.499 240 L HA 0.138 4.478 4.340 0.000 0.000 0.273 240 L C -1.160 175.701 176.870 -0.016 0.000 1.195 240 L CA -1.288 53.465 54.840 -0.145 0.000 0.882 240 L CB -0.094 41.663 42.059 -0.503 0.000 1.133 240 L HN 0.020 nan 8.230 nan 0.000 0.483 241 P HA 0.058 nan 4.420 nan 0.000 0.268 241 P C -0.756 176.652 177.300 0.179 0.000 1.204 241 P CA -0.068 63.086 63.100 0.089 0.000 0.768 241 P CB 1.179 32.913 31.700 0.056 0.000 0.842 242 V N 3.076 123.096 119.914 0.177 0.000 2.581 242 V HA 0.738 4.858 4.120 0.000 0.000 0.303 242 V C 0.923 177.072 176.094 0.090 0.000 1.041 242 V CA -0.063 62.342 62.300 0.176 0.000 0.907 242 V CB 1.650 33.555 31.823 0.135 0.000 0.994 242 V HN 0.893 nan 8.190 nan 0.000 0.442 243 G N 1.952 110.793 108.800 0.068 0.000 3.247 243 G HA2 0.574 4.534 3.960 0.000 0.000 0.226 243 G HA3 0.574 4.534 3.960 0.000 0.000 0.226 243 G C -0.194 174.719 174.900 0.021 0.000 1.220 243 G CA 0.223 45.348 45.100 0.042 0.000 0.875 243 G HN 0.772 nan 8.290 nan 0.000 0.606 244 Q N -1.446 118.364 119.800 0.017 0.000 3.184 244 Q HA 0.512 4.852 4.340 0.000 0.000 0.288 244 Q C 0.469 176.472 176.000 0.005 0.000 1.412 244 Q CA 0.823 56.630 55.803 0.008 0.000 0.991 244 Q CB -1.361 27.381 28.738 0.008 0.000 1.688 244 Q HN 2.149 nan 8.270 nan 0.000 0.554 245 N N -1.823 116.876 118.700 -0.001 0.000 3.383 245 N HA 0.455 5.195 4.740 0.000 0.000 0.149 245 N C 1.146 176.646 175.510 -0.016 0.000 1.122 245 N CA 0.813 53.860 53.050 -0.005 0.000 2.933 245 N CB -1.077 37.415 38.487 0.008 0.000 1.193 245 N HN 2.029 nan 8.380 nan 0.000 0.838 246 G N -0.399 108.381 108.800 -0.033 0.000 2.508 246 G HA2 0.032 3.992 3.960 0.000 0.000 0.220 246 G HA3 0.032 3.992 3.960 0.000 0.000 0.220 246 G C -0.526 174.378 174.900 0.007 0.000 1.287 246 G CA -0.116 44.926 45.100 -0.095 0.000 0.916 246 G HN 1.193 nan 8.290 nan 0.000 0.574 247 Y N 0.624 120.934 120.300 0.017 0.000 2.717 247 Y HA 0.354 4.904 4.550 0.000 0.000 0.330 247 Y C 1.618 177.528 175.900 0.017 0.000 1.217 247 Y CA -0.230 57.882 58.100 0.020 0.000 1.506 247 Y CB 0.027 38.501 38.460 0.023 0.000 1.268 247 Y HN 0.431 nan 8.280 nan 0.000 0.561 248 I N 6.139 126.826 120.570 0.195 0.000 2.322 248 I HA 0.161 4.331 4.170 0.000 0.000 0.292 248 I C -0.490 175.673 176.117 0.077 0.000 1.060 248 I CA 0.163 61.524 61.300 0.102 0.000 1.309 248 I CB -0.021 38.023 38.000 0.072 0.000 1.415 248 I HN 0.315 nan 8.210 nan 0.000 0.492 249 L N 8.708 129.971 121.223 0.067 0.000 2.401 249 L HA 0.499 4.839 4.340 0.000 0.000 0.266 249 L C -2.411 174.473 176.870 0.024 0.000 0.991 249 L CA -1.878 52.987 54.840 0.042 0.000 0.818 249 L CB 2.442 44.538 42.059 0.060 0.000 1.321 249 L HN 0.348 nan 8.230 nan 0.000 0.413 250 P HA 0.157 nan 4.420 nan 0.000 0.268 250 P C 0.726 178.022 177.300 -0.005 0.000 1.541 250 P CA -0.227 62.870 63.100 -0.004 0.000 1.093 250 P CB 0.628 32.319 31.700 -0.015 0.000 1.551 251 L N 2.663 123.887 121.223 0.000 0.000 2.079 251 L HA -0.182 4.158 4.340 0.000 0.000 0.210 251 L C 2.397 179.258 176.870 -0.014 0.000 1.081 251 L CA 1.451 56.292 54.840 0.002 0.000 0.752 251 L CB -0.568 41.495 42.059 0.007 0.000 0.896 251 L HN 0.270 nan 8.230 nan 0.000 0.433 252 I N -0.505 120.046 120.570 -0.032 0.000 2.233 252 I HA -0.233 3.937 4.170 0.000 0.000 0.243 252 I C 2.093 178.163 176.117 -0.079 0.000 1.093 252 I CA 0.987 62.253 61.300 -0.056 0.000 1.380 252 I CB -0.419 37.538 38.000 -0.071 0.000 1.067 252 I HN 0.203 nan 8.210 nan 0.000 0.413 253 D N 1.310 121.664 120.400 -0.078 0.000 2.106 253 D HA -0.168 4.472 4.640 0.000 0.000 0.191 253 D C 2.177 178.449 176.300 -0.047 0.000 0.997 253 D CA 1.448 55.394 54.000 -0.089 0.000 0.834 253 D CB -0.355 40.409 40.800 -0.060 0.000 0.956 253 D HN 0.272 nan 8.370 nan 0.000 0.448 254 L N 0.305 121.521 121.223 -0.012 0.000 2.551 254 L HA -0.006 4.334 4.340 0.000 0.000 0.228 254 L C 1.513 178.404 176.870 0.034 0.000 1.153 254 L CA 0.691 55.545 54.840 0.023 0.000 0.851 254 L CB -0.209 41.868 42.059 0.031 0.000 0.959 254 L HN 0.027 nan 8.230 nan 0.000 0.451 255 S N -3.211 112.492 115.700 0.005 0.000 2.663 255 S HA 0.180 4.650 4.470 0.000 0.000 0.243 255 S C 0.498 175.088 174.600 -0.016 0.000 1.009 255 S CA -0.556 57.648 58.200 0.008 0.000 0.988 255 S CB 0.173 63.375 63.200 0.004 0.000 0.896 255 S HN 0.084 nan 8.310 nan 0.000 0.502 256 T N 2.843 117.375 114.554 -0.037 0.000 2.855 256 T HA 0.596 4.946 4.350 0.000 0.000 0.281 256 T C -0.552 174.131 174.700 -0.029 0.000 1.007 256 T CA -0.600 61.458 62.100 -0.071 0.000 1.009 256 T CB 1.337 70.090 68.868 -0.192 0.000 0.983 256 T HN 0.252 nan 8.240 nan 0.000 0.455 257 L N 3.011 124.216 121.223 -0.030 0.000 2.295 257 L HA 0.496 4.836 4.340 0.000 0.000 0.285 257 L C -0.993 175.955 176.870 0.131 0.000 1.035 257 L CA -1.125 53.680 54.840 -0.059 0.000 0.806 257 L CB 0.825 42.735 42.059 -0.249 0.000 1.214 257 L HN 0.625 nan 8.230 nan 0.000 0.426 258 Y N 4.175 124.521 120.300 0.077 0.000 2.388 258 Y HA 0.487 5.037 4.550 0.000 0.000 0.328 258 Y C -0.890 174.960 175.900 -0.083 0.000 0.963 258 Y CA -1.152 57.048 58.100 0.167 0.000 1.240 258 Y CB 0.659 39.348 38.460 0.382 0.000 1.118 258 Y HN 0.532 nan 8.280 nan 0.000 0.484 259 N N 4.992 123.258 118.700 -0.724 0.000 2.312 259 N HA 0.556 5.296 4.740 0.000 0.000 0.296 259 N C -1.912 173.088 175.510 -0.850 0.000 1.193 259 N CA -0.624 51.931 53.050 -0.826 0.000 0.773 259 N CB 2.284 40.282 38.487 -0.816 0.000 1.435 259 N HN 0.479 nan 8.380 nan 0.000 0.484 260 L N 0.697 121.619 121.223 -0.501 0.000 2.362 260 L HA 0.525 4.865 4.340 0.000 0.000 0.271 260 L C 0.021 176.875 176.870 -0.028 0.000 1.002 260 L CA -0.221 54.494 54.840 -0.209 0.000 0.818 260 L CB 1.450 43.345 42.059 -0.273 0.000 1.298 260 L HN 0.481 nan 8.230 nan 0.000 0.420 261 E N 1.944 122.272 120.200 0.212 0.000 2.412 261 E HA 0.481 4.831 4.350 0.000 0.000 0.279 261 E C -1.533 175.165 176.600 0.165 0.000 0.984 261 E CA -0.916 55.605 56.400 0.203 0.000 0.788 261 E CB 2.947 32.834 29.700 0.311 0.000 1.277 261 E HN 0.642 nan 8.360 nan 0.000 0.455 262 N N -0.126 118.604 118.700 0.051 0.000 2.357 262 N HA 0.538 5.278 4.740 0.000 0.000 0.284 262 N C -1.277 174.265 175.510 0.053 0.000 1.236 262 N CA -0.604 52.406 53.050 -0.066 0.000 0.774 262 N CB 2.033 40.356 38.487 -0.272 0.000 1.534 262 N HN 0.483 nan 8.380 nan 0.000 0.478 263 S N -1.289 114.452 115.700 0.068 0.000 2.625 263 S HA 0.873 5.343 4.470 0.000 0.000 0.271 263 S C -1.459 173.212 174.600 0.118 0.000 1.161 263 S CA -0.969 57.298 58.200 0.112 0.000 0.820 263 S CB 1.228 64.518 63.200 0.151 0.000 1.137 263 S HN 1.035 nan 8.310 nan 0.000 0.470 264 A N 0.933 123.827 122.820 0.123 0.000 2.342 264 A HA 0.817 5.137 4.320 0.000 0.000 0.323 264 A C -1.004 176.659 177.584 0.131 0.000 1.125 264 A CA -0.678 51.438 52.037 0.132 0.000 0.785 264 A CB 1.246 20.324 19.000 0.131 0.000 1.221 264 A HN 0.620 nan 8.150 nan 0.000 0.463 265 Q N 0.300 120.195 119.800 0.159 0.000 2.356 265 Q HA 0.725 5.065 4.340 0.000 0.000 0.270 265 Q C -0.601 175.541 176.000 0.237 0.000 1.058 265 Q CA -0.437 55.506 55.803 0.232 0.000 0.802 265 Q CB 2.229 31.155 28.738 0.313 0.000 1.303 265 Q HN 0.985 nan 8.270 nan 0.000 0.444 266 A N -0.263 122.701 122.820 0.242 0.000 2.435 266 A HA 0.913 5.233 4.320 0.000 0.000 0.296 266 A C 0.290 177.976 177.584 0.170 0.000 1.147 266 A CA -0.171 51.916 52.037 0.083 0.000 0.775 266 A CB 1.557 20.586 19.000 0.048 0.000 1.340 266 A HN 0.975 nan 8.150 nan 0.000 0.427 267 G N -0.817 107.968 108.800 -0.025 0.000 2.157 267 G HA2 0.030 3.990 3.960 0.000 0.000 0.118 267 G HA3 0.030 3.990 3.960 0.000 0.000 0.118 267 G C -0.479 174.391 174.900 -0.049 0.000 1.032 267 G CA -0.121 45.033 45.100 0.091 0.000 0.697 267 G HN 0.746 nan 8.290 nan 0.000 0.495 268 L N 1.871 122.844 121.223 -0.415 0.000 2.371 268 L HA 0.756 5.096 4.340 0.000 0.000 0.272 268 L C 0.909 177.679 176.870 -0.166 0.000 1.124 268 L CA 0.422 54.996 54.840 -0.443 0.000 0.816 268 L CB 1.660 43.334 42.059 -0.643 0.000 1.129 268 L HN 0.414 nan 8.230 nan 0.000 0.448 269 T N 0.235 114.727 114.554 -0.102 0.000 2.933 269 T HA 0.542 4.892 4.350 0.000 0.000 0.305 269 T C -2.841 171.822 174.700 -0.062 0.000 1.092 269 T CA -2.328 59.737 62.100 -0.057 0.000 1.008 269 T CB 1.828 70.683 68.868 -0.022 0.000 1.102 269 T HN 0.144 nan 8.240 nan 0.000 0.469 270 P HA 0.129 nan 4.420 nan 0.000 0.261 270 P C 0.257 177.524 177.300 -0.055 0.000 1.173 270 P CA 0.747 63.816 63.100 -0.051 0.000 0.760 270 P CB -0.170 31.511 31.700 -0.033 0.000 0.783 271 N N -1.167 117.486 118.700 -0.079 0.000 2.778 271 N HA -0.156 4.584 4.740 0.000 0.000 0.249 271 N C -0.677 174.792 175.510 -0.070 0.000 1.069 271 N CA 0.201 53.204 53.050 -0.078 0.000 0.831 271 N CB -1.302 37.162 38.487 -0.038 0.000 1.142 271 N HN 0.134 nan 8.380 nan 0.000 0.573 272 V N 0.813 120.684 119.914 -0.072 0.000 2.513 272 V HA 0.249 4.369 4.120 0.000 0.000 0.299 272 V C 0.023 176.085 176.094 -0.053 0.000 1.035 272 V CA -0.680 61.596 62.300 -0.040 0.000 0.889 272 V CB 1.780 33.598 31.823 -0.008 0.000 0.988 272 V HN 0.014 nan 8.190 nan 0.000 0.440 273 D N 3.282 123.664 120.400 -0.030 0.000 2.434 273 D HA 0.136 4.776 4.640 0.000 0.000 0.252 273 D C -0.559 175.758 176.300 0.029 0.000 1.185 273 D CA 0.434 54.417 54.000 -0.028 0.000 0.886 273 D CB 0.409 41.216 40.800 0.013 0.000 1.148 273 D HN 0.350 nan 8.370 nan 0.000 0.483 274 F N 3.678 123.535 119.950 -0.154 0.000 2.385 274 F HA 0.315 4.842 4.527 0.000 0.000 0.360 274 F C -0.671 175.070 175.800 -0.098 0.000 1.122 274 F CA -0.789 57.134 58.000 -0.128 0.000 1.090 274 F CB 0.759 39.654 39.000 -0.175 0.000 1.150 274 F HN -0.003 nan 8.300 nan 0.000 0.472 275 V N 7.033 126.677 119.914 -0.450 0.000 2.417 275 V HA 0.379 4.499 4.120 0.000 0.000 0.291 275 V C -0.573 175.254 176.094 -0.444 0.000 1.024 275 V CA -0.874 61.230 62.300 -0.327 0.000 0.861 275 V CB 1.459 33.167 31.823 -0.191 0.000 0.985 275 V HN 0.487 nan 8.190 nan 0.000 0.436 276 V N 5.627 125.380 119.914 -0.269 0.000 2.311 276 V HA 0.300 4.420 4.120 0.000 0.000 0.275 276 V C 0.247 176.209 176.094 -0.220 0.000 1.022 276 V CA -0.616 61.539 62.300 -0.242 0.000 0.830 276 V CB 1.031 32.780 31.823 -0.124 0.000 1.012 276 V HN 0.930 nan 8.190 nan 0.000 0.452 277 Q N 3.276 122.959 119.800 -0.196 0.000 2.364 277 Q HA 0.219 4.559 4.340 0.000 0.000 0.267 277 Q C -0.958 174.893 176.000 -0.248 0.000 0.999 277 Q CA -0.036 55.677 55.803 -0.151 0.000 0.886 277 Q CB 0.801 29.480 28.738 -0.098 0.000 1.243 277 Q HN 0.658 nan 8.270 nan 0.000 0.415 278 Y N 0.963 121.150 120.300 -0.188 0.000 2.573 278 Y HA 0.095 4.645 4.550 0.000 0.000 0.346 278 Y C 1.051 176.827 175.900 -0.208 0.000 1.198 278 Y CA -0.238 57.624 58.100 -0.396 0.000 1.627 278 Y CB 0.091 38.236 38.460 -0.524 0.000 1.457 278 Y HN 0.809 nan 8.280 nan 0.000 0.483 279 A N 2.303 125.048 122.820 -0.125 0.000 2.067 279 A HA -0.114 4.206 4.320 0.000 0.000 0.219 279 A C 1.529 179.028 177.584 -0.141 0.000 1.158 279 A CA 1.423 53.397 52.037 -0.104 0.000 0.661 279 A CB -0.928 18.007 19.000 -0.110 0.000 0.801 279 A HN 0.732 nan 8.150 nan 0.000 0.452 280 N N -1.250 117.331 118.700 -0.199 0.000 2.502 280 N HA 0.547 5.287 4.740 0.000 0.000 0.280 280 N C -0.215 175.119 175.510 -0.293 0.000 1.223 280 N CA -0.392 52.358 53.050 -0.500 0.000 0.966 280 N CB 0.312 37.913 38.487 -1.476 0.000 1.203 280 N HN 0.014 nan 8.380 nan 0.000 0.565 281 L N 1.147 122.170 121.223 -0.334 0.000 2.928 281 L HA 0.347 4.687 4.340 0.000 0.000 0.236 281 L C -0.683 176.291 176.870 0.173 0.000 1.290 281 L CA -0.502 54.317 54.840 -0.036 0.000 1.099 281 L CB -1.624 40.428 42.059 -0.011 0.000 1.437 281 L HN 0.586 nan 8.230 nan 0.000 0.493 282 Y N -0.227 120.043 120.300 -0.050 0.000 2.295 282 Y HA 0.410 4.960 4.550 0.000 0.000 0.331 282 Y C 0.898 176.749 175.900 -0.081 0.000 1.311 282 Y CA -1.276 56.655 58.100 -0.282 0.000 1.430 282 Y CB 0.437 38.246 38.460 -1.084 0.000 1.339 282 Y HN 0.034 nan 8.280 nan 0.000 0.552 283 R N 1.170 121.730 120.500 0.101 0.000 2.278 283 R HA 0.272 4.612 4.340 0.000 0.000 0.322 283 R C -1.718 174.645 176.300 0.105 0.000 1.058 283 R CA -0.413 55.751 56.100 0.107 0.000 0.991 283 R CB -0.129 30.177 30.300 0.011 0.000 1.140 283 R HN 0.451 nan 8.270 nan 0.000 0.518 284 Y N 3.227 123.648 120.300 0.202 0.000 2.531 284 Y HA 0.022 4.572 4.550 0.000 0.000 0.347 284 Y C 1.327 177.307 175.900 0.133 0.000 1.024 284 Y CA -0.228 58.011 58.100 0.231 0.000 1.306 284 Y CB 0.467 39.077 38.460 0.251 0.000 1.149 284 Y HN 0.482 nan 8.280 nan 0.000 0.527 285 L N 1.925 123.278 121.223 0.216 0.000 2.131 285 L HA 0.006 4.346 4.340 0.000 0.000 0.206 285 L C 0.798 177.789 176.870 0.201 0.000 1.087 285 L CA 0.708 55.612 54.840 0.107 0.000 0.767 285 L CB -0.131 41.901 42.059 -0.045 0.000 0.917 285 L HN 0.630 nan 8.230 nan 0.000 0.441 286 S N -2.094 113.790 115.700 0.307 0.000 2.570 286 S HA 0.596 5.066 4.470 0.000 0.000 0.270 286 S C -0.626 174.186 174.600 0.354 0.000 1.149 286 S CA -0.709 57.647 58.200 0.260 0.000 0.837 286 S CB 2.322 65.720 63.200 0.330 0.000 1.124 286 S HN -0.075 nan 8.310 nan 0.000 0.465 287 T N 1.990 116.668 114.554 0.206 0.000 2.921 287 T HA 0.600 4.950 4.350 0.000 0.000 0.297 287 T C -0.922 173.770 174.700 -0.014 0.000 1.013 287 T CA -0.421 61.747 62.100 0.112 0.000 0.990 287 T CB 0.879 69.837 68.868 0.149 0.000 1.023 287 T HN 0.661 nan 8.240 nan 0.000 0.447 288 I N 2.302 122.803 120.570 -0.115 0.000 2.465 288 I HA 0.703 4.873 4.170 0.000 0.000 0.291 288 I C -0.294 175.693 176.117 -0.218 0.000 1.014 288 I CA -1.003 60.268 61.300 -0.048 0.000 1.093 288 I CB 1.727 39.790 38.000 0.105 0.000 1.267 288 I HN 0.721 nan 8.210 nan 0.000 0.431 289 A N 6.461 129.197 122.820 -0.139 0.000 2.335 289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 289 A C -1.021 176.641 177.584 0.131 0.000 1.118 289 A CA -0.471 51.499 52.037 -0.112 0.000 0.757 289 A CB 1.296 20.149 19.000 -0.246 0.000 1.188 289 A HN 0.404 nan 8.150 nan 0.000 0.460 290 V N 3.435 123.441 119.914 0.152 0.000 2.347 290 V HA 0.297 4.417 4.120 0.000 0.000 0.280 290 V C -0.634 175.636 176.094 0.293 0.000 1.021 290 V CA -0.396 62.035 62.300 0.219 0.000 0.847 290 V CB 1.136 33.044 31.823 0.143 0.000 0.990 290 V HN 0.778 nan 8.190 nan 0.000 0.444 291 F N 5.362 125.395 119.950 0.137 0.000 2.462 291 F HA 0.361 4.888 4.527 0.000 0.000 0.354 291 F C 0.446 176.112 175.800 -0.225 0.000 1.192 291 F CA -1.774 56.225 58.000 -0.001 0.000 1.173 291 F CB 0.168 39.199 39.000 0.051 0.000 1.402 291 F HN 0.601 nan 8.300 nan 0.000 0.595 292 D N 4.262 124.627 120.400 -0.058 0.000 2.435 292 D HA -0.022 4.618 4.640 0.000 0.000 0.230 292 D C -0.107 175.871 176.300 -0.538 0.000 1.215 292 D CA 0.050 53.686 54.000 -0.606 0.000 0.947 292 D CB -0.303 40.381 40.800 -0.193 0.000 1.048 292 D HN 0.265 nan 8.370 nan 0.000 0.512 293 N N 2.831 120.975 118.700 -0.927 0.000 3.050 293 N HA 0.200 4.940 4.740 0.000 0.000 0.289 293 N C 0.785 176.008 175.510 -0.478 0.000 1.209 293 N CA 0.454 53.016 53.050 -0.814 0.000 1.154 293 N CB -0.451 37.340 38.487 -1.161 0.000 1.444 293 N HN 0.619 nan 8.380 nan 0.000 0.529 294 G N 0.880 109.493 108.800 -0.312 0.000 2.273 294 G HA2 -0.216 3.744 3.960 0.000 0.000 0.280 294 G HA3 -0.216 3.744 3.960 0.000 0.000 0.280 294 G C 0.957 175.737 174.900 -0.200 0.000 1.047 294 G CA 0.517 45.496 45.100 -0.201 0.000 0.869 294 G HN 1.112 nan 8.290 nan 0.000 0.502 295 G N -2.392 106.246 108.800 -0.270 0.000 2.195 295 G HA2 -0.046 3.914 3.960 0.000 0.000 0.246 295 G HA3 -0.046 3.914 3.960 0.000 0.000 0.246 295 G C 0.444 175.237 174.900 -0.179 0.000 0.984 295 G CA 0.652 45.668 45.100 -0.141 0.000 0.633 295 G HN 1.727 nan 8.290 nan 0.000 0.525 296 S N 0.155 115.619 115.700 -0.394 0.000 2.489 296 S HA 0.765 5.235 4.470 0.000 0.000 0.291 296 S C -0.816 173.408 174.600 -0.627 0.000 1.151 296 S CA -0.313 57.698 58.200 -0.314 0.000 1.082 296 S CB 0.870 63.910 63.200 -0.266 0.000 1.019 296 S HN 0.304 nan 8.310 nan 0.000 0.492 297 F N 2.959 122.801 119.950 -0.180 0.000 2.445 297 F HA 0.439 4.966 4.527 0.000 0.000 0.348 297 F C 0.464 176.198 175.800 -0.110 0.000 1.125 297 F CA -0.854 57.049 58.000 -0.163 0.000 0.983 297 F CB 1.148 40.054 39.000 -0.156 0.000 1.198 297 F HN 0.386 nan 8.300 nan 0.000 0.436 298 N N 1.430 120.121 118.700 -0.014 0.000 2.430 298 N HA 0.500 5.240 4.740 0.000 0.000 0.298 298 N C -0.452 175.120 175.510 0.103 0.000 1.130 298 N CA -0.685 52.378 53.050 0.021 0.000 0.894 298 N CB 2.218 40.679 38.487 -0.044 0.000 1.209 298 N HN 0.565 nan 8.380 nan 0.000 0.503 299 A N 0.620 123.499 122.820 0.099 0.000 3.063 299 A HA 0.461 4.781 4.320 0.000 0.000 0.263 299 A C 1.349 179.041 177.584 0.180 0.000 1.736 299 A CA 0.325 52.441 52.037 0.132 0.000 1.408 299 A CB -1.413 17.645 19.000 0.096 0.000 1.108 299 A HN 0.909 nan 8.150 nan 0.000 0.621 300 G N 1.101 110.069 108.800 0.280 0.000 2.302 300 G HA2 -0.422 3.538 3.960 0.000 0.000 0.263 300 G HA3 -0.422 3.538 3.960 0.000 0.000 0.263 300 G C 1.367 176.347 174.900 0.133 0.000 0.995 300 G CA 1.561 46.815 45.100 0.256 0.000 0.622 300 G HN 1.588 nan 8.290 nan 0.000 0.538 301 T N -0.676 113.938 114.554 0.101 0.000 3.025 301 T HA 0.041 4.391 4.350 0.000 0.000 0.270 301 T C 1.487 176.212 174.700 0.041 0.000 1.126 301 T CA 1.875 64.010 62.100 0.058 0.000 1.105 301 T CB -0.234 68.658 68.868 0.039 0.000 0.884 301 T HN 0.621 nan 8.240 nan 0.000 0.522 302 D N 0.285 120.719 120.400 0.057 0.000 2.368 302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 302 D C 0.182 176.557 176.300 0.124 0.000 1.112 302 D CA -0.494 53.545 54.000 0.066 0.000 0.834 302 D CB -0.266 40.532 40.800 -0.003 0.000 0.953 302 D HN 0.481 nan 8.370 nan 0.000 0.505 303 I N 0.485 121.085 120.570 0.051 0.000 2.545 303 I HA 0.219 4.389 4.170 0.000 0.000 0.292 303 I C 0.595 176.655 176.117 -0.095 0.000 1.040 303 I CA -0.859 60.402 61.300 -0.065 0.000 1.068 303 I CB 2.154 40.059 38.000 -0.160 0.000 1.251 303 I HN -0.273 nan 8.210 nan 0.000 0.424 304 N N 3.805 122.398 118.700 -0.179 0.000 2.197 304 N HA 0.011 4.751 4.740 0.000 0.000 0.184 304 N C -0.578 174.920 175.510 -0.020 0.000 1.030 304 N CA 1.373 54.354 53.050 -0.114 0.000 0.851 304 N CB 0.260 38.632 38.487 -0.192 0.000 1.003 304 N HN 0.622 nan 8.380 nan 0.000 0.430 305 Y N -1.847 118.375 120.300 -0.130 0.000 2.713 305 Y HA 0.650 5.200 4.550 0.000 0.000 0.335 305 Y C -1.752 173.977 175.900 -0.285 0.000 1.222 305 Y CA -1.466 56.542 58.100 -0.154 0.000 1.061 305 Y CB 0.506 38.915 38.460 -0.086 0.000 1.314 305 Y HN -0.278 nan 8.280 nan 0.000 0.453 306 L N 1.626 122.801 121.223 -0.080 0.000 2.333 306 L HA 0.922 5.262 4.340 0.000 0.000 0.263 306 L C -0.140 176.613 176.870 -0.196 0.000 1.014 306 L CA -0.539 54.014 54.840 -0.478 0.000 0.820 306 L CB 2.215 43.493 42.059 -1.302 0.000 1.352 306 L HN 0.893 nan 8.230 nan 0.000 0.421 307 S N -0.112 115.375 115.700 -0.356 0.000 2.636 307 S HA 0.562 5.032 4.470 0.000 0.000 0.266 307 S C -2.069 172.405 174.600 -0.209 0.000 1.147 307 S CA -0.631 57.535 58.200 -0.058 0.000 0.815 307 S CB 1.565 64.755 63.200 -0.017 0.000 1.119 307 S HN 0.580 nan 8.310 nan 0.000 0.470 308 Q N 1.230 121.017 119.800 -0.021 0.000 2.340 308 Q HA 0.551 4.891 4.340 0.000 0.000 0.268 308 Q C -0.929 175.059 176.000 -0.020 0.000 1.031 308 Q CA -0.617 55.194 55.803 0.014 0.000 0.804 308 Q CB 2.270 31.066 28.738 0.096 0.000 1.286 308 Q HN 0.566 nan 8.270 nan 0.000 0.448 309 R N 1.269 121.761 120.500 -0.014 0.000 2.744 309 R HA 0.585 4.925 4.340 0.000 0.000 0.279 309 R C -1.156 175.116 176.300 -0.047 0.000 0.977 309 R CA -0.240 55.836 56.100 -0.041 0.000 0.906 309 R CB 1.991 32.271 30.300 -0.034 0.000 1.197 309 R HN 0.544 nan 8.270 nan 0.000 0.463 310 T N 1.828 116.337 114.554 -0.074 0.000 2.944 310 T HA 0.328 4.678 4.350 0.000 0.000 0.284 310 T C 1.328 176.008 174.700 -0.033 0.000 1.010 310 T CA -0.005 62.051 62.100 -0.072 0.000 1.025 310 T CB 1.676 70.473 68.868 -0.117 0.000 1.079 310 T HN 0.719 nan 8.240 nan 0.000 0.516 311 A N 1.653 124.465 122.820 -0.012 0.000 1.997 311 A HA -0.201 4.119 4.320 0.000 0.000 0.221 311 A C 2.264 179.841 177.584 -0.012 0.000 1.172 311 A CA 2.515 54.547 52.037 -0.007 0.000 0.645 311 A CB -1.882 17.120 19.000 0.003 0.000 0.813 311 A HN 1.005 nan 8.150 nan 0.000 0.454 312 N N -2.383 116.310 118.700 -0.012 0.000 2.635 312 N HA 0.204 4.944 4.740 0.000 0.000 0.191 312 N C 1.471 176.969 175.510 -0.021 0.000 1.155 312 N CA 1.908 54.950 53.050 -0.013 0.000 0.927 312 N CB -1.474 37.007 38.487 -0.011 0.000 0.976 312 N HN 2.009 nan 8.380 nan 0.000 0.448 313 F N -0.939 118.996 119.950 -0.025 0.000 2.871 313 F HA -0.209 4.318 4.527 0.000 0.000 0.326 313 F C 1.017 176.796 175.800 -0.036 0.000 0.675 313 F CA 1.418 59.402 58.000 -0.027 0.000 1.188 313 F CB -2.492 36.495 39.000 -0.022 0.000 1.567 313 F HN 1.190 nan 8.300 nan 0.000 0.325 314 S N 0.634 116.310 115.700 -0.041 0.000 2.508 314 S HA 0.561 5.031 4.470 0.000 0.000 0.284 314 S C -0.883 173.680 174.600 -0.061 0.000 1.192 314 S CA -0.002 58.169 58.200 -0.049 0.000 1.070 314 S CB 1.992 65.165 63.200 -0.044 0.000 1.004 314 S HN 0.510 nan 8.310 nan 0.000 0.493 315 D N 2.188 122.548 120.400 -0.066 0.000 2.225 315 D HA 0.228 4.868 4.640 0.000 0.000 0.248 315 D C 0.926 177.187 176.300 -0.064 0.000 1.096 315 D CA -0.131 53.828 54.000 -0.069 0.000 0.863 315 D CB 1.779 42.527 40.800 -0.087 0.000 1.156 315 D HN 0.801 nan 8.370 nan 0.000 0.450 316 T N -0.516 114.001 114.554 -0.062 0.000 3.057 316 T HA -0.007 4.343 4.350 0.000 0.000 0.254 316 T C 0.979 175.652 174.700 -0.046 0.000 1.094 316 T CA -0.073 61.990 62.100 -0.061 0.000 1.088 316 T CB 0.143 68.962 68.868 -0.082 0.000 0.934 316 T HN 0.598 nan 8.240 nan 0.000 0.497 317 R N 0.271 120.756 120.500 -0.025 0.000 2.714 317 R HA 0.306 4.646 4.340 0.000 0.000 0.214 317 R C -0.870 175.473 176.300 0.070 0.000 1.474 317 R CA -0.658 55.440 56.100 -0.003 0.000 1.435 317 R CB -0.332 29.939 30.300 -0.048 0.000 1.517 317 R HN 0.100 nan 8.270 nan 0.000 0.748 318 K N 2.993 123.394 120.400 0.002 0.000 2.292 318 K HA 0.284 4.604 4.320 0.000 0.000 0.290 318 K C -0.942 175.664 176.600 0.010 0.000 1.083 318 K CA -0.159 56.105 56.287 -0.038 0.000 0.918 318 K CB 0.462 32.829 32.500 -0.222 0.000 1.089 318 K HN 0.450 nan 8.250 nan 0.000 0.473 319 L N 3.431 124.752 121.223 0.163 0.000 2.370 319 L HA 0.350 4.690 4.340 0.000 0.000 0.266 319 L C -0.329 176.672 176.870 0.219 0.000 1.002 319 L CA -1.390 53.569 54.840 0.199 0.000 0.818 319 L CB 1.956 44.197 42.059 0.303 0.000 1.325 319 L HN 0.735 nan 8.230 nan 0.000 0.418 320 D N 0.707 121.208 120.400 0.168 0.000 2.368 320 D HA 0.131 4.771 4.640 0.000 0.000 0.240 320 D C -2.099 174.310 176.300 0.181 0.000 1.169 320 D CA -1.140 52.952 54.000 0.154 0.000 0.906 320 D CB 0.649 41.520 40.800 0.117 0.000 1.187 320 D HN 0.206 nan 8.370 nan 0.000 0.435 321 P HA -0.199 nan 4.420 nan 0.000 0.216 321 P C 0.998 178.462 177.300 0.274 0.000 1.153 321 P CA 1.515 64.714 63.100 0.164 0.000 0.858 321 P CB 0.110 31.871 31.700 0.101 0.000 0.789 322 K N -1.240 119.283 120.400 0.205 0.000 2.148 322 K HA -0.044 4.276 4.320 0.000 0.000 0.204 322 K C 1.902 178.621 176.600 0.199 0.000 1.050 322 K CA 1.511 57.914 56.287 0.194 0.000 0.942 322 K CB -0.619 31.961 32.500 0.134 0.000 0.724 322 K HN 0.170 nan 8.250 nan 0.000 0.446 323 T N 0.468 115.138 114.554 0.193 0.000 2.904 323 T HA -0.137 4.213 4.350 0.000 0.000 0.267 323 T C 1.184 176.007 174.700 0.206 0.000 1.059 323 T CA 0.553 62.750 62.100 0.161 0.000 1.137 323 T CB -0.126 68.817 68.868 0.125 0.000 0.879 323 T HN 0.425 nan 8.240 nan 0.000 0.467 324 W N 2.310 123.675 121.300 0.109 0.000 2.355 324 W HA -0.102 4.558 4.660 0.000 0.000 0.309 324 W C 2.470 179.106 176.519 0.194 0.000 1.206 324 W CA 1.322 58.752 57.345 0.143 0.000 1.284 324 W CB -0.645 28.905 29.460 0.150 0.000 1.145 324 W HN 0.293 nan 8.180 nan 0.000 0.502 325 A N 0.959 124.073 122.820 0.490 0.000 1.940 325 A HA -0.101 4.219 4.320 0.000 0.000 0.219 325 A C 2.199 179.904 177.584 0.202 0.000 1.176 325 A CA 2.750 55.010 52.037 0.372 0.000 0.631 325 A CB -1.269 17.922 19.000 0.319 0.000 0.814 325 A HN 0.313 nan 8.150 nan 0.000 0.446 326 A N -0.896 122.014 122.820 0.150 0.000 1.908 326 A HA -0.205 4.115 4.320 0.000 0.000 0.218 326 A C 2.090 179.705 177.584 0.050 0.000 1.181 326 A CA 1.738 53.826 52.037 0.085 0.000 0.627 326 A CB -0.473 18.568 19.000 0.068 0.000 0.818 326 A HN 0.510 nan 8.150 nan 0.000 0.445 327 Q N -0.509 119.297 119.800 0.010 0.000 2.124 327 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 327 Q C 2.107 178.123 176.000 0.027 0.000 0.977 327 Q CA 1.986 57.765 55.803 -0.039 0.000 0.850 327 Q CB -1.251 27.377 28.738 -0.185 0.000 0.901 327 Q HN 0.642 nan 8.270 nan 0.000 0.429 328 T N 1.034 115.643 114.554 0.092 0.000 2.821 328 T HA -0.051 4.299 4.350 0.000 0.000 0.267 328 T C 1.804 176.567 174.700 0.105 0.000 1.046 328 T CA 0.714 62.941 62.100 0.212 0.000 1.139 328 T CB -0.030 69.062 68.868 0.373 0.000 0.871 328 T HN 0.258 nan 8.240 nan 0.000 0.454 329 R N 0.694 121.235 120.500 0.069 0.000 2.152 329 R HA 0.042 4.382 4.340 0.000 0.000 0.232 329 R C 2.435 178.741 176.300 0.009 0.000 1.117 329 R CA 0.740 56.851 56.100 0.019 0.000 0.981 329 R CB -0.044 30.272 30.300 0.027 0.000 0.870 329 R HN 0.208 nan 8.270 nan 0.000 0.451 330 R N 0.122 120.638 120.500 0.026 0.000 2.193 330 R HA 0.026 4.366 4.340 0.000 0.000 0.213 330 R C 1.878 178.195 176.300 0.027 0.000 1.055 330 R CA 0.693 56.805 56.100 0.020 0.000 0.995 330 R CB 0.035 30.347 30.300 0.020 0.000 0.893 330 R HN 0.155 nan 8.270 nan 0.000 0.459 331 R N 0.507 121.038 120.500 0.050 0.000 2.105 331 R HA 0.141 4.481 4.340 0.000 0.000 0.214 331 R C 2.046 178.340 176.300 -0.010 0.000 1.091 331 R CA 0.839 56.980 56.100 0.068 0.000 1.007 331 R CB -0.028 30.393 30.300 0.201 0.000 0.912 331 R HN 0.312 nan 8.270 nan 0.000 0.450 332 I N -3.826 116.697 120.570 -0.080 0.000 4.050 332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 332 I C 0.479 176.507 176.117 -0.148 0.000 1.473 332 I CA 0.113 61.311 61.300 -0.170 0.000 1.124 332 I CB 0.837 38.605 38.000 -0.386 0.000 1.129 332 I HN -0.027 nan 8.210 nan 0.000 0.428 333 A N 0.254 123.019 122.820 -0.091 0.000 2.861 333 A HA -0.221 4.099 4.320 0.000 0.000 0.261 333 A C 0.648 178.185 177.584 -0.077 0.000 1.351 333 A CA 1.704 53.699 52.037 -0.069 0.000 0.904 333 A CB -2.287 16.675 19.000 -0.063 0.000 1.076 333 A HN 0.800 nan 8.150 nan 0.000 0.729 334 T N -1.848 112.641 114.554 -0.108 0.000 2.654 334 T HA 0.498 4.848 4.350 0.000 0.000 0.303 334 T C -2.138 172.484 174.700 -0.131 0.000 1.656 334 T CA 0.131 62.171 62.100 -0.101 0.000 0.971 334 T CB 0.952 69.753 68.868 -0.112 0.000 1.811 334 T HN 0.287 nan 8.240 nan 0.000 0.483 335 D N 0.608 120.951 120.400 -0.095 0.000 2.217 335 D HA 0.523 5.163 4.640 0.000 0.000 0.248 335 D C -0.293 175.922 176.300 -0.143 0.000 1.008 335 D CA -0.132 53.832 54.000 -0.060 0.000 0.914 335 D CB 0.793 41.611 40.800 0.030 0.000 1.182 335 D HN 0.288 nan 8.370 nan 0.000 0.451 336 F N 0.719 120.613 119.950 -0.094 0.000 2.435 336 F HA 0.220 4.747 4.527 0.000 0.000 0.316 336 F C -1.336 174.373 175.800 -0.151 0.000 1.220 336 F CA -1.318 56.553 58.000 -0.216 0.000 1.241 336 F CB -0.232 38.533 39.000 -0.393 0.000 1.234 336 F HN 0.071 nan 8.300 nan 0.000 0.569 337 P HA -0.003 nan 4.420 nan 0.000 0.271 337 P C -1.070 176.270 177.300 0.066 0.000 1.238 337 P CA -0.269 62.907 63.100 0.127 0.000 0.794 337 P CB 0.317 32.194 31.700 0.294 0.000 0.959 338 K N 1.058 121.502 120.400 0.073 0.000 2.530 338 K HA 0.125 4.445 4.320 0.000 0.000 0.280 338 K C 1.287 177.949 176.600 0.104 0.000 1.004 338 K CA 1.270 57.599 56.287 0.071 0.000 1.071 338 K CB -0.752 31.807 32.500 0.098 0.000 0.876 338 K HN 0.854 nan 8.250 nan 0.000 0.487 339 G N 1.189 109.998 108.800 0.014 0.000 2.179 339 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 339 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 339 G C 0.025 174.851 174.900 -0.124 0.000 0.977 339 G CA 0.066 45.220 45.100 0.090 0.000 0.641 339 G HN 0.430 nan 8.290 nan 0.000 0.533 340 V N 1.085 120.776 119.914 -0.372 0.000 2.370 340 V HA 0.652 4.772 4.120 0.000 0.000 0.279 340 V C -0.312 175.402 176.094 -0.633 0.000 1.029 340 V CA -0.799 61.281 62.300 -0.367 0.000 0.870 340 V CB 0.842 32.446 31.823 -0.364 0.000 0.984 340 V HN 0.244 nan 8.190 nan 0.000 0.451 341 Y N 4.228 124.570 120.300 0.069 0.000 2.393 341 Y HA 0.620 5.170 4.550 0.000 0.000 0.341 341 Y C -0.485 175.597 175.900 0.303 0.000 0.988 341 Y CA -0.875 57.367 58.100 0.237 0.000 1.078 341 Y CB 1.734 40.251 38.460 0.095 0.000 1.203 341 Y HN 0.634 nan 8.280 nan 0.000 0.453 342 Y N 2.167 122.773 120.300 0.509 0.000 2.468 342 Y HA 0.679 5.229 4.550 0.000 0.000 0.342 342 Y C -1.185 175.034 175.900 0.532 0.000 1.021 342 Y CA -1.838 56.462 58.100 0.333 0.000 1.079 342 Y CB 1.740 40.311 38.460 0.186 0.000 1.226 342 Y HN 0.802 nan 8.280 nan 0.000 0.460 343 C N 6.550 125.625 119.300 -0.376 0.000 2.505 343 C HA 0.361 4.821 4.460 0.000 0.000 0.342 343 C C -1.333 173.283 174.990 -0.623 0.000 1.121 343 C CA -0.718 58.131 59.018 -0.281 0.000 1.306 343 C CB -0.059 27.902 27.740 0.369 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.402 123.493 120.400 -0.514 0.000 2.280 344 D HA 0.300 4.940 4.640 0.000 0.000 0.243 344 D C 0.149 176.416 176.300 -0.055 0.000 1.129 344 D CA 0.253 54.122 54.000 -0.220 0.000 0.848 344 D CB 0.683 41.483 40.800 0.001 0.000 1.107 344 D HN 0.750 nan 8.370 nan 0.000 0.471 345 N N 2.548 121.260 118.700 0.021 0.000 2.451 345 N HA 0.142 4.882 4.740 0.000 0.000 0.271 345 N C 1.080 176.627 175.510 0.061 0.000 1.410 345 N CA -0.351 52.726 53.050 0.046 0.000 0.884 345 N CB 0.803 39.331 38.487 0.068 0.000 1.332 345 N HN 0.209 nan 8.380 nan 0.000 0.498 346 R N 0.422 120.965 120.500 0.071 0.000 2.073 346 R HA -0.077 4.263 4.340 0.000 0.000 0.234 346 R C 0.662 176.981 176.300 0.032 0.000 1.134 346 R CA 1.266 57.401 56.100 0.059 0.000 0.952 346 R CB -0.082 30.294 30.300 0.126 0.000 0.850 346 R HN 0.264 nan 8.270 nan 0.000 0.433 347 D N 0.309 120.736 120.400 0.046 0.000 2.224 347 D HA -0.034 4.606 4.640 0.000 0.000 0.205 347 D C 0.234 176.559 176.300 0.042 0.000 0.965 347 D CA 1.223 55.246 54.000 0.039 0.000 0.852 347 D CB 0.235 41.058 40.800 0.039 0.000 0.947 347 D HN 0.105 nan 8.370 nan 0.000 0.494 348 K N 0.867 121.300 120.400 0.055 0.000 2.827 348 K HA 0.283 4.603 4.320 0.000 0.000 0.186 348 K C -2.730 173.935 176.600 0.108 0.000 1.093 348 K CA -1.485 54.852 56.287 0.084 0.000 0.993 348 K CB 2.376 34.932 32.500 0.094 0.000 1.199 348 K HN -0.109 nan 8.250 nan 0.000 0.598 349 P HA -0.053 nan 4.420 nan 0.000 0.266 349 P C -0.103 177.324 177.300 0.212 0.000 1.193 349 P CA -0.126 63.048 63.100 0.123 0.000 0.770 349 P CB 0.472 32.218 31.700 0.078 0.000 0.836 350 I N 3.559 124.244 120.570 0.192 0.000 2.533 350 I HA 0.010 4.180 4.170 0.000 0.000 0.284 350 I C -0.065 176.294 176.117 0.403 0.000 1.109 350 I CA 0.275 61.682 61.300 0.177 0.000 1.412 350 I CB -1.006 36.789 38.000 -0.341 0.000 1.396 350 I HN 0.398 nan 8.210 nan 0.000 0.543 351 Y N 5.900 126.373 120.300 0.288 0.000 2.344 351 Y HA 0.147 4.697 4.550 0.000 0.000 0.328 351 Y C 1.234 177.182 175.900 0.080 0.000 1.067 351 Y CA -1.327 56.854 58.100 0.135 0.000 1.247 351 Y CB 1.298 39.762 38.460 0.007 0.000 1.113 351 Y HN 0.708 nan 8.280 nan 0.000 0.465 352 T N 1.240 115.792 114.554 -0.004 0.000 3.052 352 T HA -0.124 4.226 4.350 0.000 0.000 0.270 352 T C 1.260 175.792 174.700 -0.279 0.000 1.147 352 T CA 1.421 63.491 62.100 -0.051 0.000 1.089 352 T CB -0.184 68.677 68.868 -0.012 0.000 0.875 352 T HN 0.631 nan 8.240 nan 0.000 0.541 353 L N -0.481 120.320 121.223 -0.703 0.000 2.592 353 L HA 0.255 4.595 4.340 0.000 0.000 0.227 353 L C 2.645 179.221 176.870 -0.491 0.000 1.127 353 L CA 0.246 54.715 54.840 -0.620 0.000 0.884 353 L CB -0.248 41.332 42.059 -0.798 0.000 1.065 353 L HN 0.283 nan 8.230 nan 0.000 0.457 354 Q N -0.637 118.806 119.800 -0.596 0.000 2.349 354 Q HA 0.090 4.430 4.340 0.000 0.000 0.209 354 Q C -0.580 175.115 176.000 -0.507 0.000 0.920 354 Q CA 0.639 56.094 55.803 -0.579 0.000 0.901 354 Q CB 0.683 28.926 28.738 -0.825 0.000 1.021 354 Q HN 0.390 nan 8.270 nan 0.000 0.519 355 Y N -2.357 117.909 120.300 -0.057 0.000 2.677 355 Y HA 0.658 5.208 4.550 0.000 0.000 0.334 355 Y C 0.528 176.394 175.900 -0.056 0.000 1.154 355 Y CA -1.791 56.284 58.100 -0.041 0.000 1.070 355 Y CB -0.279 38.168 38.460 -0.022 0.000 1.294 355 Y HN -0.087 nan 8.280 nan 0.000 0.475 356 G N 0.113 109.016 108.800 0.172 0.000 2.785 356 G HA2 -0.044 3.916 3.960 0.000 0.000 0.256 356 G HA3 -0.044 3.916 3.960 0.000 0.000 0.256 356 G C -0.275 174.679 174.900 0.090 0.000 1.248 356 G CA -0.426 44.721 45.100 0.079 0.000 0.914 356 G HN 0.895 nan 8.290 nan 0.000 0.580 357 N N -1.978 116.747 118.700 0.042 0.000 2.441 357 N HA 0.222 4.962 4.740 0.000 0.000 0.251 357 N C -0.245 175.298 175.510 0.056 0.000 1.242 357 N CA -0.404 52.673 53.050 0.046 0.000 0.898 357 N CB 0.445 38.941 38.487 0.016 0.000 1.100 357 N HN 0.158 nan 8.380 nan 0.000 0.443 358 V N 0.534 120.503 119.914 0.091 0.000 2.815 358 V HA 0.752 4.872 4.120 0.000 0.000 0.314 358 V C 0.637 176.881 176.094 0.249 0.000 1.064 358 V CA -0.702 61.654 62.300 0.095 0.000 0.952 358 V CB 1.717 33.530 31.823 -0.017 0.000 1.020 358 V HN 0.830 nan 8.190 nan 0.000 0.439 359 G N 0.755 109.684 108.800 0.215 0.000 2.612 359 G HA2 0.651 4.611 3.960 0.000 0.000 0.298 359 G HA3 0.651 4.611 3.960 0.000 0.000 0.298 359 G C -1.933 173.108 174.900 0.234 0.000 1.336 359 G CA -0.565 44.638 45.100 0.171 0.000 0.953 359 G HN 0.475 nan 8.290 nan 0.000 0.482 360 F N 1.973 121.911 119.950 -0.020 0.000 2.408 360 F HA 0.657 5.184 4.527 0.000 0.000 0.344 360 F C -0.275 175.497 175.800 -0.048 0.000 1.112 360 F CA -0.508 57.511 58.000 0.032 0.000 1.096 360 F CB 1.726 40.692 39.000 -0.057 0.000 1.129 360 F HN 0.287 nan 8.300 nan 0.000 0.486 361 V N 6.436 126.064 119.914 -0.477 0.000 2.555 361 V HA 0.605 4.725 4.120 0.000 0.000 0.302 361 V C -0.867 175.010 176.094 -0.361 0.000 1.038 361 V CA -0.871 61.264 62.300 -0.274 0.000 0.887 361 V CB 1.674 33.415 31.823 -0.138 0.000 0.991 361 V HN 0.572 nan 8.190 nan 0.000 0.434 362 V N 3.733 123.532 119.914 -0.191 0.000 2.525 362 V HA 0.467 4.587 4.120 0.000 0.000 0.299 362 V C -0.415 175.478 176.094 -0.336 0.000 1.034 362 V CA -0.648 61.468 62.300 -0.307 0.000 0.863 362 V CB 2.012 33.661 31.823 -0.291 0.000 0.999 362 V HN 0.890 nan 8.190 nan 0.000 0.423 363 N N 6.740 125.101 118.700 -0.566 0.000 2.558 363 N HA 0.376 5.116 4.740 0.000 0.000 0.242 363 N C -2.776 172.447 175.510 -0.479 0.000 0.979 363 N CA -1.649 51.042 53.050 -0.599 0.000 0.931 363 N CB 2.549 40.352 38.487 -1.140 0.000 1.122 363 N HN 0.341 nan 8.380 nan 0.000 0.508 364 P HA 0.144 nan 4.420 nan 0.000 0.275 364 P C 0.153 177.381 177.300 -0.121 0.000 1.227 364 P CA -0.160 62.812 63.100 -0.214 0.000 0.781 364 P CB 1.985 33.555 31.700 -0.216 0.000 0.906 365 K N 1.582 121.951 120.400 -0.051 0.000 2.211 365 K HA 0.089 4.409 4.320 0.000 0.000 0.201 365 K C -0.092 176.501 176.600 -0.010 0.000 1.052 365 K CA 0.881 57.147 56.287 -0.035 0.000 0.973 365 K CB 0.337 32.825 32.500 -0.019 0.000 0.766 365 K HN 0.424 nan 8.250 nan 0.000 0.466 366 T N 0.604 115.172 114.554 0.023 0.000 2.916 366 T HA 0.418 4.768 4.350 0.000 0.000 0.298 366 T C -1.541 173.188 174.700 0.048 0.000 1.031 366 T CA -0.712 61.393 62.100 0.009 0.000 0.993 366 T CB 2.326 71.181 68.868 -0.020 0.000 1.045 366 T HN -0.190 nan 8.240 nan 0.000 0.454 367 V N 4.122 124.043 119.914 0.012 0.000 2.419 367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 367 V C -0.362 175.710 176.094 -0.036 0.000 1.017 367 V CA -1.107 61.208 62.300 0.025 0.000 0.844 367 V CB 1.515 33.342 31.823 0.007 0.000 1.011 367 V HN 0.770 nan 8.190 nan 0.000 0.429 368 N N 2.157 120.808 118.700 -0.080 0.000 2.379 368 N HA 0.284 5.024 4.740 0.000 0.000 0.260 368 N C 0.016 175.482 175.510 -0.074 0.000 1.254 368 N CA -0.571 52.424 53.050 -0.092 0.000 0.958 368 N CB 0.626 39.028 38.487 -0.140 0.000 1.208 368 N HN 0.730 nan 8.380 nan 0.000 0.532 369 Q N 0.800 120.561 119.800 -0.065 0.000 2.337 369 Q HA 0.054 4.394 4.340 0.000 0.000 0.270 369 Q C -0.461 175.506 176.000 -0.056 0.000 1.002 369 Q CA 0.362 56.136 55.803 -0.050 0.000 0.888 369 Q CB 0.035 28.750 28.738 -0.039 0.000 1.222 369 Q HN 0.456 nan 8.270 nan 0.000 0.400 370 N N 0.732 119.407 118.700 -0.042 0.000 2.776 370 N HA -0.198 4.542 4.740 0.000 0.000 0.249 370 N C -1.319 174.160 175.510 -0.052 0.000 1.111 370 N CA 0.955 53.983 53.050 -0.038 0.000 0.711 370 N CB -1.730 36.738 38.487 -0.032 0.000 1.065 370 N HN 0.657 nan 8.380 nan 0.000 0.556 371 A N 0.829 123.618 122.820 -0.053 0.000 2.371 371 A HA 0.661 4.981 4.320 0.000 0.000 0.257 371 A C 0.885 178.457 177.584 -0.020 0.000 1.089 371 A CA 0.142 52.163 52.037 -0.027 0.000 0.794 371 A CB 0.647 19.671 19.000 0.040 0.000 1.029 371 A HN 0.471 nan 8.150 nan 0.000 0.488 372 R N 0.813 121.332 120.500 0.031 0.000 2.712 372 R HA 0.614 4.954 4.340 0.000 0.000 0.272 372 R C -2.140 174.195 176.300 0.059 0.000 1.032 372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 372 R CB 0.890 31.208 30.300 0.030 0.000 1.256 372 R HN 0.458 nan 8.270 nan 0.000 0.468 373 L N 2.333 123.574 121.223 0.031 0.000 2.305 373 L HA 0.424 4.764 4.340 0.000 0.000 0.284 373 L C -0.859 176.084 176.870 0.121 0.000 1.013 373 L CA -1.370 53.518 54.840 0.080 0.000 0.819 373 L CB 1.715 43.824 42.059 0.084 0.000 1.227 373 L HN 0.402 nan 8.230 nan 0.000 0.417 374 L N 5.031 126.343 121.223 0.148 0.000 2.257 374 L HA 0.424 4.764 4.340 0.000 0.000 0.290 374 L C 0.120 177.061 176.870 0.120 0.000 1.044 374 L CA -0.142 54.819 54.840 0.202 0.000 0.810 374 L CB 1.103 43.367 42.059 0.341 0.000 1.193 374 L HN 0.531 nan 8.230 nan 0.000 0.425 375 M N 2.805 122.397 119.600 -0.013 0.000 2.238 375 M HA 0.524 5.004 4.480 0.000 0.000 0.350 375 M C 0.515 176.527 176.300 -0.479 0.000 1.138 375 M CA -0.340 54.775 55.300 -0.309 0.000 1.040 375 M CB 1.481 33.852 32.600 -0.381 0.000 1.639 375 M HN 0.595 nan 8.290 nan 0.000 0.451 376 G N 3.423 111.807 108.800 -0.693 0.000 2.544 376 G HA2 0.678 4.638 3.960 0.000 0.000 0.313 376 G HA3 0.678 4.638 3.960 0.000 0.000 0.313 376 G C -1.813 172.706 174.900 -0.634 0.000 1.316 376 G CA -0.214 44.278 45.100 -1.014 0.000 0.944 376 G HN 0.560 nan 8.290 nan 0.000 0.489 377 Y N 0.141 120.504 120.300 0.106 0.000 2.485 377 Y HA 0.584 5.134 4.550 0.000 0.000 0.345 377 Y C 0.267 176.428 175.900 0.435 0.000 0.998 377 Y CA -1.040 57.304 58.100 0.406 0.000 1.059 377 Y CB 2.694 41.520 38.460 0.612 0.000 1.234 377 Y HN 0.511 nan 8.280 nan 0.000 0.461 378 E N 2.647 123.186 120.200 0.564 0.000 2.191 378 E HA 0.462 4.812 4.350 0.000 0.000 0.263 378 E C -1.872 174.902 176.600 0.290 0.000 0.881 378 E CA -0.668 55.902 56.400 0.283 0.000 0.757 378 E CB 1.259 31.150 29.700 0.318 0.000 1.147 378 E HN 0.586 nan 8.360 nan 0.000 0.414 379 Y N 1.733 122.051 120.300 0.030 0.000 2.670 379 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 379 Y C -1.974 173.899 175.900 -0.046 0.000 1.185 379 Y CA -1.469 56.559 58.100 -0.120 0.000 1.053 379 Y CB 0.732 38.993 38.460 -0.332 0.000 1.298 379 Y HN 0.200 nan 8.280 nan 0.000 0.459 380 F N 0.692 120.762 119.950 0.200 0.000 2.492 380 F HA 0.805 5.332 4.527 0.000 0.000 0.327 380 F C 0.212 176.084 175.800 0.120 0.000 1.079 380 F CA -0.887 57.170 58.000 0.096 0.000 0.967 380 F CB 2.180 41.177 39.000 -0.005 0.000 1.169 380 F HN 0.751 nan 8.300 nan 0.000 0.472 381 T N 0.748 115.456 114.554 0.258 0.000 2.885 381 T HA 0.488 4.838 4.350 0.000 0.000 0.322 381 T C -1.116 173.627 174.700 0.072 0.000 1.387 381 T CA -0.676 61.518 62.100 0.158 0.000 1.041 381 T CB 1.057 69.992 68.868 0.111 0.000 1.287 381 T HN 0.717 nan 8.240 nan 0.000 0.491 382 S N 2.875 118.610 115.700 0.059 0.000 2.586 382 S HA 0.434 4.904 4.470 0.000 0.000 0.274 382 S C 1.312 175.926 174.600 0.022 0.000 1.281 382 S CA -0.760 57.451 58.200 0.019 0.000 1.035 382 S CB 1.262 64.472 63.200 0.016 0.000 0.962 382 S HN 0.809 nan 8.310 nan 0.000 0.512 383 R N 1.192 121.693 120.500 0.002 0.000 2.105 383 R HA -0.004 4.336 4.340 0.000 0.000 0.239 383 R C 1.303 177.617 176.300 0.023 0.000 1.135 383 R CA 1.798 57.900 56.100 0.003 0.000 0.967 383 R CB -0.986 29.318 30.300 0.007 0.000 0.861 383 R HN 0.925 nan 8.270 nan 0.000 0.442 384 T N 0.000 114.569 114.554 0.025 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.118 62.100 0.030 0.000 1.349 384 T CB 0.000 68.882 68.868 0.024 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658