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 1hb9_1_L 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 1.153 122.375 121.223 -0.001 0.000 2.156 15 L HA 0.161 4.501 4.340 0.000 0.000 0.208 15 L C 2.624 179.493 176.870 -0.002 0.000 1.095 15 L CA 2.894 57.733 54.840 -0.001 0.000 0.770 15 L CB -0.719 41.340 42.059 -0.001 0.000 0.914 15 L HN 0.522 nan 8.230 nan 0.000 0.439 16 R N -0.079 120.420 120.500 -0.001 0.000 2.115 16 R HA -0.106 4.234 4.340 0.000 0.000 0.230 16 R C 1.851 178.149 176.300 -0.004 0.000 1.111 16 R CA 1.732 57.831 56.100 -0.002 0.000 0.976 16 R CB -1.670 28.630 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 1.964 177.468 175.510 -0.010 0.000 1.031 17 N CA 1.458 54.504 53.050 -0.008 0.000 0.848 17 N CB -0.317 38.166 38.487 -0.007 0.000 1.005 17 N HN 0.408 nan 8.380 nan 0.000 0.427 18 Q N 1.604 121.400 119.800 -0.008 0.000 2.135 18 Q HA -0.104 4.236 4.340 0.000 0.000 0.204 18 Q C 1.755 177.750 176.000 -0.009 0.000 0.981 18 Q CA 1.584 57.382 55.803 -0.009 0.000 0.856 18 Q CB -0.129 28.605 28.738 -0.006 0.000 0.902 18 Q HN 0.452 nan 8.270 nan 0.000 0.425 19 Q N -1.463 118.333 119.800 -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 0.901 56.701 55.803 -0.005 0.000 0.857 19 Q CB -0.045 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 0.864 123.679 122.820 -0.009 0.000 1.930 20 A HA -0.128 4.192 4.320 0.000 0.000 0.217 20 A C 2.043 179.617 177.584 -0.017 0.000 1.175 20 A CA 1.089 53.119 52.037 -0.011 0.000 0.627 20 A CB -0.341 18.652 19.000 -0.012 0.000 0.815 20 A HN 0.248 nan 8.150 nan 0.000 0.443 21 M N -0.687 118.900 119.600 -0.020 0.000 2.200 21 M HA -0.075 4.405 4.480 0.000 0.000 0.265 21 M C 2.541 178.827 176.300 -0.022 0.000 1.066 21 M CA 1.268 56.551 55.300 -0.028 0.000 1.127 21 M CB -0.457 32.125 32.600 -0.030 0.000 1.379 21 M HN 0.477 nan 8.290 nan 0.000 0.420 22 A N 0.619 123.430 122.820 -0.015 0.000 1.898 22 A HA -0.014 4.306 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 1.854 53.885 52.037 -0.011 0.000 0.620 22 A CB -0.822 18.174 19.000 -0.008 0.000 0.819 22 A HN 0.476 nan 8.150 nan 0.000 0.442 23 A N 0.216 123.031 122.820 -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 2.064 54.098 52.037 -0.004 0.000 0.627 23 A CB -0.760 18.239 19.000 -0.002 0.000 0.815 23 A HN 0.646 nan 8.150 nan 0.000 0.443 24 N N 0.129 118.820 118.700 -0.014 0.000 2.058 24 N HA -0.125 4.615 4.740 0.000 0.000 0.191 24 N C 1.586 177.084 175.510 -0.020 0.000 1.037 24 N CA 1.911 54.949 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 0.256 121.466 121.223 -0.022 0.000 2.012 25 L HA -0.230 4.110 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 1.606 56.435 54.840 -0.019 0.000 0.748 25 L CB -0.774 41.274 42.059 -0.018 0.000 0.891 25 L HN 0.440 nan 8.230 nan 0.000 0.431 26 Q N 0.121 119.917 119.800 -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 1.880 57.682 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 1.524 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 0.438 nan 8.150 nan 0.000 0.443 28 R N -0.303 120.193 120.500 -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 -0.401 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 2.232 178.231 176.000 -0.001 0.000 0.981 29 Q CA 1.804 57.605 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 0.465 nan 8.270 nan 0.000 0.425 30 I N -0.217 120.356 120.570 0.004 0.000 2.252 30 I HA -0.230 3.940 4.170 0.000 0.000 0.245 30 I C 2.209 178.331 176.117 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 1.804 64.101 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 -0.570 120.646 121.223 -0.012 0.000 2.083 32 L HA -0.190 4.150 4.340 0.000 0.000 0.209 32 L C 2.744 179.605 176.870 -0.016 0.000 1.083 32 L CA 1.267 56.094 54.840 -0.022 0.000 0.752 32 L CB -0.609 41.436 42.059 -0.024 0.000 0.899 32 L HN 0.348 nan 8.230 nan 0.000 0.433 33 Q N -0.406 119.393 119.800 -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 1.164 56.971 55.803 0.007 0.000 0.838 33 Q CB -0.197 28.547 28.738 0.009 0.000 0.900 33 Q HN 0.519 nan 8.270 nan 0.000 0.436 34 Q N 0.582 120.398 119.800 0.026 0.000 2.163 34 Q HA 0.044 4.384 4.340 0.000 0.000 0.198 34 Q C 1.152 177.186 176.000 0.056 0.000 0.954 34 Q CA 0.443 56.270 55.803 0.040 0.000 0.851 34 Q CB 0.002 28.761 28.738 0.036 0.000 0.928 34 Q HN 0.335 nan 8.270 nan 0.000 0.459 35 S N -0.495 115.230 115.700 0.041 0.000 2.645 35 S HA 0.319 4.789 4.470 0.000 0.000 0.266 35 S C -0.631 174.028 174.600 0.097 0.000 1.258 35 S CA -0.663 57.571 58.200 0.056 0.000 0.990 35 S CB 0.847 64.056 63.200 0.015 0.000 0.967 35 S HN 0.200 nan 8.310 nan 0.000 0.556 36 Y N 1.989 122.272 120.300 -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 1.925 40.363 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 -1.243 175.843 177.300 -0.356 0.000 1.216 37 P CA 0.155 63.013 63.100 -0.402 0.000 0.776 37 P CB 1.924 33.381 31.700 -0.404 0.000 0.881 38 V N 4.610 124.273 119.914 -0.418 0.000 2.841 38 V HA 0.486 4.606 4.120 0.000 0.000 0.310 38 V C 0.021 175.882 176.094 -0.389 0.000 1.090 38 V CA -0.762 61.287 62.300 -0.418 0.000 0.930 38 V CB 2.460 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 4.198 124.687 120.570 -0.134 0.000 2.478 39 I HA 0.654 4.824 4.170 0.000 0.000 0.287 39 I C -0.824 175.396 176.117 0.172 0.000 1.042 39 I CA -0.075 61.245 61.300 0.034 0.000 1.067 39 I CB 1.574 39.597 38.000 0.037 0.000 1.233 39 I HN 0.946 nan 8.210 nan 0.000 0.431 40 Q N 5.888 125.883 119.800 0.325 0.000 2.379 40 Q HA 0.373 4.713 4.340 0.000 0.000 0.278 40 Q C -1.497 174.736 176.000 0.389 0.000 1.068 40 Q CA -0.937 55.092 55.803 0.377 0.000 0.816 40 Q CB 1.793 30.711 28.738 0.300 0.000 1.387 40 Q HN 0.682 nan 8.270 nan 0.000 0.413 41 Q N 1.202 121.154 119.800 0.255 0.000 2.330 41 Q HA 0.100 4.440 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 0.164 55.887 55.803 -0.133 0.000 0.900 41 Q CB 1.089 29.679 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 0.179 4.299 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 -1.206 119.000 120.200 0.010 0.000 2.388 43 E HA 0.393 4.743 4.350 0.000 0.000 0.282 43 E C -1.424 175.154 176.600 -0.037 0.000 1.026 43 E CA -0.288 56.123 56.400 0.019 0.000 0.820 43 E CB 2.227 31.992 29.700 0.109 0.000 1.226 43 E HN 0.065 nan 8.360 nan 0.000 0.432 44 T N 2.018 116.481 114.554 -0.151 0.000 2.912 44 T HA 0.523 4.873 4.350 0.000 0.000 0.299 44 T C -1.699 172.719 174.700 -0.470 0.000 1.052 44 T CA -0.333 61.569 62.100 -0.328 0.000 0.996 44 T CB 1.697 70.439 68.868 -0.210 0.000 1.070 44 T HN 0.499 nan 8.240 nan 0.000 0.465 45 Q N 1.843 121.147 119.800 -0.826 0.000 2.353 45 Q HA 0.612 4.952 4.340 0.000 0.000 0.275 45 Q C -1.680 174.041 176.000 -0.464 0.000 1.029 45 Q CA -0.594 54.840 55.803 -0.614 0.000 0.848 45 Q CB 2.296 30.601 28.738 -0.721 0.000 1.390 45 Q HN 0.654 nan 8.270 nan 0.000 0.401 46 T N 3.846 118.282 114.554 -0.196 0.000 2.824 46 T HA 0.794 5.144 4.350 0.000 0.000 0.282 46 T C -1.285 173.416 174.700 0.001 0.000 0.993 46 T CA -0.354 61.639 62.100 -0.177 0.000 0.967 46 T CB 0.379 69.151 68.868 -0.159 0.000 0.960 46 T HN 0.467 nan 8.240 nan 0.000 0.441 47 F N -0.206 119.639 119.950 -0.176 0.000 2.779 47 F HA 0.729 5.256 4.527 0.000 0.000 0.316 47 F C -1.668 174.101 175.800 -0.053 0.000 1.164 47 F CA -1.380 56.582 58.000 -0.064 0.000 0.924 47 F CB 1.034 40.059 39.000 0.042 0.000 1.348 47 F HN 0.308 nan 8.300 nan 0.000 0.467 48 D N 2.255 122.744 120.400 0.147 0.000 2.381 48 D HA 0.378 5.018 4.640 0.000 0.000 0.235 48 D C -1.909 174.553 176.300 0.269 0.000 1.068 48 D CA -2.584 51.458 54.000 0.071 0.000 0.832 48 D CB 2.270 43.128 40.800 0.096 0.000 1.101 48 D HN 0.328 nan 8.370 nan 0.000 0.515 49 P HA -0.078 nan 4.420 nan 0.000 0.228 49 P C 0.887 178.310 177.300 0.206 0.000 1.151 49 P CA 0.418 63.686 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 2.068 179.726 177.584 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 18.346 19.000 0.144 0.000 0.804 50 A HN 0.146 nan 8.150 nan 0.000 0.453 51 N N -1.038 117.746 118.700 0.140 0.000 2.349 51 N HA 0.080 4.820 4.740 0.000 0.000 0.180 51 N C 0.760 176.310 175.510 0.067 0.000 1.024 51 N CA 0.655 53.767 53.050 0.103 0.000 0.869 51 N CB 0.113 38.671 38.487 0.119 0.000 1.022 51 N HN 0.521 nan 8.380 nan 0.000 0.433 52 R N -0.149 120.412 120.500 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 0.003 0.000 1.091 52 R CA -0.054 56.014 56.100 -0.054 0.000 0.927 52 R CB 0.906 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 1.075 116.752 115.700 -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 -0.249 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 1.606 121.492 119.950 -0.105 0.000 2.556 55 F HA 0.497 5.024 4.527 0.000 0.000 0.314 55 F C -0.153 175.567 175.800 -0.134 0.000 1.106 55 F CA -0.934 57.003 58.000 -0.105 0.000 0.911 55 F CB 1.913 40.877 39.000 -0.061 0.000 1.190 55 F HN 0.435 nan 8.300 nan 0.000 0.448 56 D N 2.328 122.744 120.400 0.027 0.000 2.454 56 D HA 0.449 5.089 4.640 0.000 0.000 0.225 56 D C -0.808 175.491 176.300 -0.002 0.000 1.081 56 D CA -0.112 53.869 54.000 -0.031 0.000 0.864 56 D CB 1.415 42.173 40.800 -0.069 0.000 1.040 56 D HN 0.102 nan 8.370 nan 0.000 0.517 57 V N 2.374 122.263 119.914 -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 -0.339 61.942 62.300 -0.032 0.000 0.981 57 V CB 1.642 33.409 31.823 -0.093 0.000 0.990 57 V HN 0.504 nan 8.190 nan 0.000 0.474 58 T N 6.769 121.307 114.554 -0.027 0.000 2.853 58 T HA 0.358 4.708 4.350 0.000 0.000 0.317 58 T C -2.363 172.340 174.700 0.004 0.000 1.059 58 T CA -0.900 61.183 62.100 -0.027 0.000 0.954 58 T CB 1.007 69.867 68.868 -0.013 0.000 0.994 58 T HN 0.481 nan 8.240 nan 0.000 0.479 59 P HA 0.306 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 -0.442 62.735 63.100 0.128 0.000 0.785 59 P CB 0.458 32.328 31.700 0.284 0.000 0.923 60 A N 2.219 125.090 122.820 0.085 0.000 2.388 60 A HA 0.215 4.535 4.320 0.000 0.000 0.257 60 A C 0.151 177.715 177.584 -0.034 0.000 1.095 60 A CA -0.271 51.769 52.037 0.006 0.000 0.791 60 A CB -0.304 18.677 19.000 -0.032 0.000 1.029 60 A HN 0.461 nan 8.150 nan 0.000 0.489 61 N N 1.151 119.828 118.700 -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 39.558 38.487 -0.008 0.000 1.244 61 N HN 0.432 nan 8.380 nan 0.000 0.512 62 V N 0.964 120.761 119.914 -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 0.969 32.508 31.823 -0.472 0.000 1.008 62 V HN 0.797 nan 8.190 nan 0.000 0.425 63 G N 6.317 115.068 108.800 -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 -0.016 174.872 174.900 -0.020 0.000 1.300 63 G CA 0.584 45.663 45.100 -0.035 0.000 0.959 63 G HN 1.239 nan 8.290 nan 0.000 0.548 64 I N 0.638 121.219 120.570 0.018 0.000 2.325 64 I HA 0.350 4.520 4.170 0.000 0.000 0.291 64 I C 0.444 176.594 176.117 0.056 0.000 1.019 64 I CA -0.621 60.690 61.300 0.018 0.000 1.302 64 I CB 1.444 39.445 38.000 0.002 0.000 1.401 64 I HN 0.288 nan 8.210 nan 0.000 0.485 65 V N 7.758 127.678 119.914 0.010 0.000 2.432 65 V HA 0.185 4.305 4.120 0.000 0.000 0.275 65 V C 0.902 176.933 176.094 -0.105 0.000 1.043 65 V CA -0.350 61.921 62.300 -0.048 0.000 0.925 65 V CB 1.196 32.954 31.823 -0.109 0.000 0.985 65 V HN 0.751 nan 8.190 nan 0.000 0.466 66 K N 2.879 123.216 120.400 -0.104 0.000 2.276 66 K HA 0.454 4.774 4.320 0.000 0.000 0.198 66 K C 0.810 177.309 176.600 -0.168 0.000 1.052 66 K CA 0.724 56.987 56.287 -0.040 0.000 0.984 66 K CB 0.735 33.297 32.500 0.105 0.000 0.836 66 K HN 0.914 nan 8.250 nan 0.000 0.490 67 G N 0.141 108.615 108.800 -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 -1.470 0.000 1.300 67 G CA -1.020 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 -0.507 118.856 119.950 -0.979 0.000 2.547 68 F HA 0.671 5.198 4.527 0.000 0.000 0.316 68 F C -0.220 175.458 175.800 -0.203 0.000 1.121 68 F CA -0.846 56.921 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 4.386 125.872 121.223 0.438 0.000 2.272 69 L HA 0.720 5.060 4.340 0.000 0.000 0.289 69 L C -1.050 176.158 176.870 0.564 0.000 1.032 69 L CA -0.517 54.714 54.840 0.652 0.000 0.810 69 L CB 1.153 43.636 42.059 0.707 0.000 1.205 69 L HN 0.407 nan 8.230 nan 0.000 0.422 70 V N 5.620 125.829 119.914 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 -0.820 61.702 62.300 0.370 0.000 0.841 70 V CB 1.176 33.155 31.823 0.259 0.000 0.991 70 V HN 0.724 nan 8.190 nan 0.000 0.437 71 K N 4.257 124.728 120.400 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 -0.368 0.000 0.909 71 K CB 1.521 33.878 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 -0.477 174.219 174.700 -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 1.428 nan 8.240 nan 0.000 0.496 74 A N 0.427 123.279 122.820 0.055 0.000 2.612 74 A HA 0.905 5.225 4.320 0.000 0.000 0.293 74 A C -1.088 176.574 177.584 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 20.307 19.000 0.282 0.000 1.279 74 A HN 1.731 nan 8.150 nan 0.000 0.411 75 A N 1.026 123.931 122.820 0.142 0.000 2.330 75 A HA 0.796 5.116 4.320 0.000 0.000 0.313 75 A C -0.907 176.750 177.584 0.121 0.000 1.124 75 A CA -0.294 51.801 52.037 0.095 0.000 0.774 75 A CB 0.518 19.545 19.000 0.044 0.000 1.198 75 A HN 0.791 nan 8.150 nan 0.000 0.465 76 I N 1.594 122.184 120.570 0.033 0.000 2.545 76 I HA 0.427 4.597 4.170 0.000 0.000 0.292 76 I C -0.341 175.695 176.117 -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 3.997 118.450 114.554 -0.169 0.000 2.807 77 T HA 0.271 4.621 4.350 0.000 0.000 0.279 77 T C -0.391 174.155 174.700 -0.257 0.000 0.993 77 T CA -0.597 61.400 62.100 -0.172 0.000 0.970 77 T CB 1.146 69.953 68.868 -0.102 0.000 0.950 77 T HN 0.420 nan 8.240 nan 0.000 0.441 78 N N 2.800 121.359 118.700 -0.235 0.000 2.485 78 N HA 0.186 4.926 4.740 0.000 0.000 0.243 78 N C -0.034 175.396 175.510 -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 1.546 120.175 118.700 -0.118 0.000 2.276 79 N HA -0.037 4.703 4.740 0.000 0.000 0.212 79 N C -0.340 175.140 175.510 -0.050 0.000 1.127 79 N CA -0.118 52.886 53.050 -0.076 0.000 0.834 79 N CB -0.196 38.244 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 0.356 56.355 56.048 -0.082 0.000 1.426 80 H CB 1.112 30.824 29.762 -0.084 0.000 1.424 80 H HN 0.134 nan 8.280 nan 0.000 0.599 81 A N 2.558 125.169 122.820 -0.348 0.000 1.969 81 A HA -0.126 4.194 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 2.174 54.124 52.037 -0.145 0.000 0.635 81 A CB -0.460 18.418 19.000 -0.203 0.000 0.810 81 A HN 0.888 nan 8.150 nan 0.000 0.445 82 T N -5.172 109.530 114.554 0.246 0.000 3.100 82 T HA 0.177 4.527 4.350 0.000 0.000 0.255 82 T C 0.161 174.941 174.700 0.134 0.000 0.893 82 T CA -0.260 61.943 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 1.762 122.045 120.200 0.138 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 -0.159 0.000 0.841 83 E CB 1.927 31.348 29.700 -0.466 0.000 1.109 83 E HN 0.537 nan 8.360 nan 0.000 0.394 84 A N 1.700 124.454 122.820 -0.111 0.000 2.239 84 A HA 0.684 5.004 4.320 0.000 0.000 0.303 84 A C -0.099 177.431 177.584 -0.090 0.000 1.114 84 A CA -0.539 51.445 52.037 -0.089 0.000 0.871 84 A CB 0.734 19.705 19.000 -0.049 0.000 1.201 84 A HN 0.405 nan 8.150 nan 0.000 0.506 85 V N -4.070 115.808 119.914 -0.059 0.000 3.078 85 V HA 0.938 5.058 4.120 0.000 0.000 0.311 85 V C -0.230 175.949 176.094 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 32.941 31.823 0.025 0.000 1.045 85 V HN 1.867 nan 8.190 nan 0.000 0.432 86 A N 2.697 125.654 122.820 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 0.240 0.000 0.750 86 A CB 1.467 20.526 19.000 0.098 0.000 1.296 86 A HN 1.084 nan 8.150 nan 0.000 0.423 87 L N 1.818 123.061 121.223 0.033 0.000 2.514 87 L HA 0.158 4.498 4.340 0.000 0.000 0.280 87 L C 1.493 178.266 176.870 -0.161 0.000 1.223 87 L CA 0.095 54.755 54.840 -0.299 0.000 0.864 87 L CB 0.522 42.436 42.059 -0.242 0.000 1.118 87 L HN 0.996 nan 8.230 nan 0.000 0.494 88 T N -2.014 112.415 114.554 -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 61.208 62.100 -0.178 0.000 0.955 88 T CB 0.777 69.505 68.868 -0.233 0.000 1.060 88 T HN 0.505 nan 8.240 nan 0.000 0.531 89 D N -0.247 120.041 120.400 -0.187 0.000 2.178 89 D HA -0.011 4.629 4.640 0.000 0.000 0.201 89 D C 1.523 177.969 176.300 0.245 0.000 0.980 89 D CA 1.040 55.023 54.000 -0.028 0.000 0.842 89 D CB -0.219 40.517 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 2.200 177.951 175.800 -0.081 0.000 1.103 90 F CA 0.446 58.420 58.000 -0.044 0.000 1.442 90 F CB -0.940 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 -1.109 173.765 174.900 -0.043 0.000 1.271 91 G CA 0.572 45.614 45.100 -0.097 0.000 1.003 91 G HN 0.208 nan 8.290 nan 0.000 0.549 92 P HA 0.036 nan 4.420 nan 0.000 0.225 92 P C 1.673 178.982 177.300 0.015 0.000 1.148 92 P CA 2.376 65.482 63.100 0.009 0.000 0.779 92 P CB -0.389 31.308 31.700 -0.004 0.000 0.780 93 A N 0.151 122.937 122.820 -0.057 0.000 2.121 93 A HA -0.115 4.205 4.320 0.000 0.000 0.218 93 A C 1.878 179.593 177.584 0.219 0.000 1.154 93 A CA 1.111 53.114 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 -0.354 118.473 118.700 0.211 0.000 2.314 94 N HA 0.175 4.915 4.740 0.000 0.000 0.200 94 N C 1.105 176.756 175.510 0.234 0.000 1.135 94 N CA 0.098 53.295 53.050 0.245 0.000 0.835 94 N CB 0.029 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 0.811 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 0.027 120.043 119.914 0.169 0.000 2.370 96 V HA 0.118 4.238 4.120 0.000 0.000 0.283 96 V C 0.566 176.566 176.094 -0.156 0.000 1.023 96 V CA -0.517 61.660 62.300 -0.206 0.000 0.857 96 V CB 1.667 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 -0.135 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 1.041 56.806 55.803 -0.063 0.000 0.841 97 Q CB 0.426 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 -0.882 119.475 120.500 -0.238 0.000 2.707 98 R HA 0.598 4.938 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 -0.466 55.483 56.100 -0.251 0.000 0.893 98 R CB 2.594 32.797 30.300 -0.162 0.000 1.233 98 R HN -0.067 nan 8.270 nan 0.000 0.464 99 V N 3.702 123.434 119.914 -0.304 0.000 2.760 99 V HA 0.667 4.787 4.120 0.000 0.000 0.309 99 V C -1.678 174.281 176.094 -0.225 0.000 1.077 99 V CA -0.641 61.475 62.300 -0.307 0.000 0.910 99 V CB 1.937 33.541 31.823 -0.365 0.000 1.008 99 V HN 0.607 nan 8.190 nan 0.000 0.424 100 I N 7.082 127.538 120.570 -0.189 0.000 2.569 100 I HA 0.487 4.657 4.170 0.000 0.000 0.290 100 I C -1.230 174.800 176.117 -0.144 0.000 1.088 100 I CA -0.427 60.764 61.300 -0.180 0.000 1.047 100 I CB 1.986 39.892 38.000 -0.156 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 0.716 5.266 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 4.105 123.856 120.300 -0.914 0.000 2.425 102 Y HA 0.307 4.857 4.550 0.000 0.000 0.344 102 Y C -0.251 175.086 175.900 -0.937 0.000 0.969 102 Y CA -1.180 56.565 58.100 -0.592 0.000 1.052 102 Y CB 1.311 39.581 38.460 -0.317 0.000 1.215 102 Y HN 0.713 nan 8.280 nan 0.000 0.451 103 D N 2.265 122.523 120.400 -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 -2.233 51.724 54.000 -0.073 0.000 1.059 103 D CB 0.272 41.216 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 -2.017 118.417 120.400 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 -0.669 40.172 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 -0.890 37.588 38.487 -0.015 0.000 1.090 106 N HN 0.172 nan 8.380 nan 0.000 0.558 107 Q N 0.961 120.869 119.800 0.180 0.000 2.279 107 Q HA 0.324 4.664 4.340 0.000 0.000 0.256 107 Q C -0.104 176.020 176.000 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 0.063 56.076 56.100 -0.144 0.000 1.014 108 R CB 0.441 30.556 30.300 -0.309 0.000 1.007 108 R HN 0.869 nan 8.270 nan 0.000 0.466 109 H N 1.050 120.060 119.070 -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 0.146 29.948 29.762 0.066 0.000 1.383 109 H HN 0.445 nan 8.280 nan 0.000 0.422 110 T N 1.845 116.386 114.554 -0.022 0.000 2.940 110 T HA 0.012 4.362 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 0.487 62.491 62.100 -0.159 0.000 1.137 110 T CB 0.367 69.101 68.868 -0.224 0.000 0.976 110 T HN 0.331 nan 8.240 nan 0.000 0.547 111 E N 2.229 122.345 120.200 -0.141 0.000 2.542 111 E HA 0.334 4.684 4.350 0.000 0.000 0.298 111 E C -1.054 175.484 176.600 -0.103 0.000 0.980 111 E CA -0.338 55.983 56.400 -0.132 0.000 0.792 111 E CB 1.446 31.079 29.700 -0.112 0.000 1.463 111 E HN 0.705 nan 8.360 nan 0.000 0.389 112 T N 0.704 115.168 114.554 -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 0.934 69.763 68.868 -0.065 0.000 1.573 112 T HN 0.360 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 0.882 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 1.164 109.751 108.800 -0.355 0.000 2.418 114 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 114 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 114 G C 1.328 176.208 174.900 -0.033 0.000 1.158 114 G CA 0.797 45.754 45.100 -0.237 0.000 0.771 114 G HN 0.959 nan 8.290 nan 0.000 0.545 115 W N 0.204 121.458 121.300 -0.077 0.000 2.388 115 W HA -0.045 4.615 4.660 0.000 0.000 0.294 115 W C 1.799 178.013 176.519 -0.508 0.000 1.212 115 W CA 0.878 57.979 57.345 -0.407 0.000 1.271 115 W CB -1.085 28.089 29.460 -0.477 0.000 1.126 115 W HN 0.428 nan 8.180 nan 0.000 0.535 116 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 2.367 177.567 175.328 -0.214 0.000 1.082 116 H CA 1.743 57.521 56.048 -0.449 0.000 1.342 116 H CB -0.070 29.227 29.762 -0.775 0.000 1.389 116 H HN 0.115 nan 8.280 nan 0.000 0.511 117 L N 0.952 121.944 121.223 -0.386 0.000 2.042 117 L HA -0.198 4.142 4.340 0.000 0.000 0.210 117 L C 2.561 179.333 176.870 -0.165 0.000 1.076 117 L CA 2.386 57.037 54.840 -0.316 0.000 0.749 117 L CB -1.077 40.858 42.059 -0.207 0.000 0.893 117 L HN 0.361 nan 8.230 nan 0.000 0.432 118 H N -1.235 117.752 119.070 -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 2.224 58.185 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 -0.189 0.000 2.216 119 F HA -0.109 4.418 4.527 0.000 0.000 0.300 119 F C 2.663 178.394 175.800 -0.114 0.000 1.085 119 F CA 0.887 58.821 58.000 -0.111 0.000 1.326 119 F CB -0.967 38.007 39.000 -0.044 0.000 1.027 119 F HN 0.102 nan 8.300 nan 0.000 0.497 120 V N 0.081 119.991 119.914 -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 -0.137 0.000 0.666 120 V HN 0.362 nan 8.190 nan 0.000 0.456 121 N N -0.245 118.307 118.700 -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 1.815 54.595 53.050 -0.451 0.000 0.853 121 N CB -0.212 37.574 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 0.331 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 2.259 179.839 177.584 -0.008 0.000 1.181 123 A CA 1.378 53.363 52.037 -0.088 0.000 0.627 123 A CB -0.330 18.564 19.000 -0.176 0.000 0.818 123 A HN 0.309 nan 8.150 nan 0.000 0.445 124 K N -0.616 119.783 120.400 -0.001 0.000 2.217 124 K HA -0.133 4.187 4.320 0.000 0.000 0.202 124 K C 2.116 178.701 176.600 -0.024 0.000 1.051 124 K CA 1.369 57.645 56.287 -0.019 0.000 0.952 124 K CB -0.171 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 -0.002 119.803 119.800 0.007 0.000 2.187 125 Q HA -0.065 4.275 4.340 0.000 0.000 0.199 125 Q C 0.674 176.664 176.000 -0.017 0.000 0.957 125 Q CA 1.270 57.083 55.803 0.016 0.000 0.857 125 Q CB 0.286 29.085 28.738 0.103 0.000 0.929 125 Q HN 0.418 nan 8.270 nan 0.000 0.453 126 G N -0.542 108.242 108.800 -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 -0.063 174.797 174.900 -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 -1.286 121.492 122.820 -0.071 0.000 2.583 127 A HA 0.784 5.104 4.320 0.000 0.000 0.292 127 A C -3.151 174.400 177.584 -0.055 0.000 1.045 127 A CA -0.715 51.272 52.037 -0.083 0.000 0.672 127 A CB 0.701 19.663 19.000 -0.064 0.000 1.283 127 A HN 0.170 nan 8.150 nan 0.000 0.419 128 P HA 0.131 nan 4.420 nan 0.000 0.258 128 P C -0.337 177.029 177.300 0.109 0.000 1.172 128 P CA 0.512 63.629 63.100 0.029 0.000 0.762 128 P CB -0.139 31.580 31.700 0.032 0.000 0.764 129 F N 5.759 125.716 119.950 0.012 0.000 2.580 129 F HA -0.069 4.458 4.527 0.000 0.000 0.398 129 F C 1.176 176.998 175.800 0.037 0.000 1.023 129 F CA 0.378 58.394 58.000 0.027 0.000 1.188 129 F CB -0.439 38.602 39.000 0.068 0.000 1.005 129 F HN 0.273 nan 8.300 nan 0.000 0.546 130 L N 3.567 124.437 121.223 -0.587 0.000 3.976 130 L HA -0.327 4.013 4.340 0.000 0.000 0.418 130 L C 0.651 177.374 176.870 -0.246 0.000 1.177 130 L CA 0.546 55.056 54.840 -0.549 0.000 0.968 130 L CB -2.395 39.190 42.059 -0.790 0.000 1.933 130 L HN 0.722 nan 8.230 nan 0.000 0.976 131 S N -1.840 113.779 115.700 -0.134 0.000 2.645 131 S HA 0.521 4.991 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 1.692 117.362 115.700 -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 -1.023 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 4.227 123.800 119.600 -0.046 0.000 2.243 133 M HA 0.539 5.019 4.480 0.000 0.000 0.341 133 M C -0.905 175.378 176.300 -0.030 0.000 1.130 133 M CA -0.411 54.864 55.300 -0.042 0.000 1.162 133 M CB 0.533 33.098 32.600 -0.058 0.000 1.497 133 M HN 0.252 nan 8.290 nan 0.000 0.456 134 V N 2.918 122.819 119.914 -0.021 0.000 2.439 134 V HA 0.565 4.685 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 -0.144 62.150 62.300 -0.010 0.000 0.913 134 V CB 1.055 32.876 31.823 -0.004 0.000 0.983 134 V HN 1.106 nan 8.190 nan 0.000 0.460 135 T N -0.137 114.411 114.554 -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 61.815 62.100 -0.015 0.000 1.008 135 T CB 1.923 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 -0.135 120.266 120.400 0.003 0.000 2.328 136 D HA 0.084 4.724 4.640 0.000 0.000 0.226 136 D C 0.658 176.975 176.300 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 0.388 nan 8.370 nan 0.000 0.521 137 S N 1.826 117.551 115.700 0.042 0.000 2.525 137 S HA 0.088 4.558 4.470 0.000 0.000 0.285 137 S C -1.045 173.609 174.600 0.090 0.000 1.283 137 S CA -0.922 57.328 58.200 0.084 0.000 1.072 137 S CB 0.995 64.288 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 0.135 177.452 177.300 0.028 0.000 1.161 138 P CA 0.286 63.410 63.100 0.039 0.000 0.788 138 P CB -0.020 31.694 31.700 0.025 0.000 0.822 139 I N 1.118 121.718 120.570 0.050 0.000 2.648 139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 139 I C 1.328 177.389 176.117 -0.095 0.000 1.153 139 I CA 0.276 61.545 61.300 -0.051 0.000 1.426 139 I CB 0.243 38.206 38.000 -0.061 0.000 1.381 139 I HN -0.273 nan 8.210 nan 0.000 0.571 140 K N 6.507 126.796 120.400 -0.184 0.000 3.000 140 K HA 0.105 4.425 4.320 0.000 0.000 0.265 140 K C -0.793 175.712 176.600 -0.158 0.000 1.260 140 K CA -0.060 56.151 56.287 -0.128 0.000 1.209 140 K CB -0.498 31.947 32.500 -0.091 0.000 1.484 140 K HN 0.358 nan 8.250 nan 0.000 0.283 141 Y N 0.544 120.832 120.300 -0.019 0.000 2.281 141 Y HA 0.338 4.888 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 58.720 58.100 -0.024 0.000 1.465 141 Y CB 0.869 39.312 38.460 -0.027 0.000 1.350 141 Y HN 0.479 nan 8.280 nan 0.000 0.575 142 G N 0.110 109.005 108.800 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 -1.726 173.198 174.900 0.040 0.000 1.335 142 G CA -0.855 44.290 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 1.353 177.660 176.300 0.012 0.000 1.196 143 D CA 0.191 54.199 54.000 0.013 0.000 0.979 143 D CB 0.743 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 1.872 177.968 176.094 0.004 0.000 1.059 144 V CA 0.696 62.998 62.300 0.003 0.000 1.081 144 V CB -0.088 31.733 31.823 -0.004 0.000 0.752 144 V HN 0.555 nan 8.190 nan 0.000 0.472 145 M N -0.409 119.192 119.600 0.002 0.000 2.371 145 M HA 0.289 4.769 4.480 0.000 0.000 0.246 145 M C 0.372 176.686 176.300 0.023 0.000 1.103 145 M CA 0.100 55.405 55.300 0.008 0.000 1.010 145 M CB -0.640 31.956 32.600 -0.006 0.000 1.457 145 M HN 0.377 nan 8.290 nan 0.000 0.486 146 N N 1.209 119.922 118.700 0.021 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.009 176.557 175.510 0.064 0.000 0.993 146 N CA 0.246 53.319 53.050 0.038 0.000 0.759 146 N CB -1.112 37.402 38.487 0.046 0.000 0.906 146 N HN 0.147 nan 8.380 nan 0.000 0.541 147 V N -0.211 119.725 119.914 0.036 0.000 2.261 147 V HA -0.103 4.017 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 1.559 63.894 62.300 0.058 0.000 1.015 147 V CB 0.030 31.770 31.823 -0.138 0.000 0.642 147 V HN 0.404 nan 8.190 nan 0.000 0.446 148 I N 0.409 121.029 120.570 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 1.806 39.843 38.000 0.062 0.000 1.245 148 I HN 0.252 nan 8.210 nan 0.000 0.434 149 D N 5.415 125.852 120.400 0.062 0.000 2.654 149 D HA 0.798 5.439 4.640 0.000 0.000 0.231 149 D C -1.703 174.637 176.300 0.068 0.000 1.239 149 D CA -0.345 53.689 54.000 0.057 0.000 0.790 149 D CB 2.315 43.151 40.800 0.059 0.000 1.480 149 D HN 0.712 nan 8.370 nan 0.000 0.442 150 A N 2.154 125.018 122.820 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 0.418 nan 8.150 nan 0.000 0.396 151 P HA 0.266 nan 4.420 nan 0.000 0.268 151 P C 1.005 178.428 177.300 0.205 0.000 1.204 151 P CA 0.576 63.767 63.100 0.152 0.000 0.768 151 P CB 1.246 33.016 31.700 0.117 0.000 0.842 152 A N 3.593 126.492 122.820 0.132 0.000 1.978 152 A HA -0.040 4.280 4.320 0.000 0.000 0.220 152 A C 1.120 178.819 177.584 0.191 0.000 1.170 152 A CA 1.937 54.047 52.037 0.123 0.000 0.636 152 A CB -0.984 18.060 19.000 0.072 0.000 0.810 152 A HN 0.733 nan 8.150 nan 0.000 0.448 153 T N -3.793 110.864 114.554 0.172 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 -0.634 61.551 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 1.710 122.220 120.570 -0.100 0.000 2.439 154 I HA 0.569 4.739 4.170 0.000 0.000 0.283 154 I C 0.607 176.639 176.117 -0.141 0.000 1.023 154 I CA -1.130 60.054 61.300 -0.194 0.000 1.100 154 I CB 1.445 39.191 38.000 -0.423 0.000 1.238 154 I HN 1.026 nan 8.210 nan 0.000 0.445 155 A N 4.689 127.456 122.820 -0.088 0.000 2.346 155 A HA 0.710 5.030 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 19.432 19.000 -0.038 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.079 122.716 122.820 -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 0.916 52.943 52.037 -0.016 0.000 0.755 156 A CB -1.001 18.020 19.000 0.035 0.000 0.978 156 A HN 2.753 nan 8.150 nan 0.000 0.507 157 G N 0.660 109.434 108.800 -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 0.612 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 -0.612 122.166 122.820 -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 1.272 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 70.369 68.868 -0.045 0.000 0.948 159 T HN 1.053 nan 8.240 nan 0.000 0.438 160 G N 1.880 110.638 108.800 -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 -0.959 173.955 174.900 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 0.246 120.476 120.200 0.050 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 2.472 32.199 29.700 0.045 0.000 1.140 161 E HN 0.144 nan 8.360 nan 0.000 0.402 162 L N 1.105 122.395 121.223 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 54.298 54.840 0.122 0.000 0.818 162 L CB 2.077 44.240 42.059 0.172 0.000 1.325 162 L HN 0.548 nan 8.230 nan 0.000 0.418 163 T N -0.209 114.396 114.554 0.086 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 70.698 68.868 0.107 0.000 1.045 163 T HN 0.465 nan 8.240 nan 0.000 0.454 164 M N 2.529 122.135 119.600 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 -0.834 54.448 55.300 -0.030 0.000 0.901 164 M CB 1.925 34.482 32.600 -0.073 0.000 1.718 164 M HN 0.777 nan 8.290 nan 0.000 0.469 165 Y N 2.544 122.803 120.300 -0.069 0.000 2.462 165 Y HA 0.707 5.257 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 -0.349 57.821 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 1.343 121.929 120.300 0.476 0.000 2.477 166 Y HA 0.266 4.816 4.550 0.000 0.000 0.347 166 Y C -0.951 175.168 175.900 0.364 0.000 0.981 166 Y CA -1.514 56.767 58.100 0.301 0.000 1.033 166 Y CB 1.949 40.468 38.460 0.099 0.000 1.245 166 Y HN 0.648 nan 8.280 nan 0.000 0.455 167 W N 5.247 126.635 121.300 0.147 0.000 2.329 167 W HA 0.657 5.317 4.660 -0.000 0.000 0.312 167 W C -1.847 174.696 176.519 0.039 0.000 1.054 167 W CA -1.013 56.407 57.345 0.125 0.000 1.245 167 W CB 1.402 30.892 29.460 0.050 0.000 1.255 167 W HN 0.306 nan 8.180 nan 0.000 0.436 168 V N 9.444 129.074 119.914 -0.473 0.000 2.334 168 V HA 0.185 4.305 4.120 0.000 0.000 0.267 168 V C -1.597 173.994 176.094 -0.839 0.000 1.040 168 V CA -1.561 60.462 62.300 -0.462 0.000 0.866 168 V CB 0.893 32.577 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 0.045 177.218 177.300 -0.212 0.000 1.249 169 P CA -0.302 62.597 63.100 -0.334 0.000 0.806 169 P CB 2.500 34.323 31.700 0.206 0.000 0.984 170 L N 1.336 122.483 121.223 -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 0.102 54.892 54.840 -0.084 0.000 0.855 170 L CB -0.792 41.091 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 0.517 178.266 177.584 0.276 0.000 1.082 171 A CA 0.015 52.170 52.037 0.197 0.000 0.785 171 A CB -0.004 19.073 19.000 0.129 0.000 1.020 171 A HN 0.357 nan 8.150 nan 0.000 0.489 172 Y N 2.261 122.564 120.300 0.006 0.000 2.200 172 Y HA -0.010 4.540 4.550 0.000 0.000 0.290 172 Y C 1.273 177.141 175.900 -0.053 0.000 1.137 172 Y CA 1.728 59.664 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 -2.128 113.546 115.700 -0.043 0.000 2.790 173 S HA 0.250 4.720 4.470 0.000 0.000 0.292 173 S C 0.491 175.074 174.600 -0.028 0.000 1.197 173 S CA -0.299 57.832 58.200 -0.116 0.000 0.851 173 S CB 1.260 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 0.658 120.812 120.200 -0.077 0.000 2.204 174 E HA -0.011 4.339 4.350 0.000 0.000 0.194 174 E C 1.587 178.162 176.600 -0.042 0.000 0.989 174 E CA 2.203 58.559 56.400 -0.073 0.000 0.824 174 E CB -0.324 29.304 29.700 -0.120 0.000 0.756 174 E HN 0.791 nan 8.360 nan 0.000 0.477 175 T N -3.219 111.322 114.554 -0.021 0.000 2.985 175 T HA 0.111 4.461 4.350 0.000 0.000 0.254 175 T C 0.263 174.976 174.700 0.021 0.000 1.021 175 T CA -0.086 62.010 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 1.239 121.674 120.400 0.058 0.000 2.441 176 D HA 0.310 4.950 4.640 0.000 0.000 0.231 176 D C 0.648 176.991 176.300 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 2.547 123.783 121.223 0.023 0.000 2.645 177 L HA 0.077 4.417 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 0.196 55.048 54.840 0.020 0.000 0.911 177 L CB -0.386 41.675 42.059 0.004 0.000 1.077 177 L HN 0.264 nan 8.230 nan 0.000 0.438 178 T N 0.759 115.278 114.554 -0.058 0.000 2.871 178 T HA 0.246 4.596 4.350 0.000 0.000 0.296 178 T C 1.241 175.921 174.700 -0.034 0.000 0.998 178 T CA 1.011 62.998 62.100 -0.189 0.000 1.162 178 T CB 0.906 69.440 68.868 -0.556 0.000 0.947 178 T HN 0.622 nan 8.240 nan 0.000 0.536 179 G N 2.052 110.860 108.800 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 -0.492 122.387 122.820 0.099 0.000 2.386 180 A HA 0.653 4.973 4.320 0.000 0.000 0.246 180 A C 0.393 178.018 177.584 0.067 0.000 1.089 180 A CA 0.784 52.855 52.037 0.056 0.000 0.790 180 A CB 0.862 19.882 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 -0.573 175.551 176.094 0.050 0.000 1.028 181 V CA -0.505 61.834 62.300 0.064 0.000 0.860 181 V CB 1.411 33.273 31.823 0.065 0.000 0.991 181 V HN 0.778 nan 8.190 nan 0.000 0.427 182 L N 5.396 126.656 121.223 0.061 0.000 2.283 182 L HA 0.705 5.045 4.340 0.000 0.000 0.287 182 L C 0.498 177.398 176.870 0.051 0.000 1.073 182 L CA 0.154 55.019 54.840 0.042 0.000 0.822 182 L CB 0.739 42.827 42.059 0.048 0.000 1.186 182 L HN 0.740 nan 8.230 nan 0.000 0.436 183 A N 5.052 127.891 122.820 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 -0.361 51.696 52.037 0.032 0.000 0.858 183 A CB -0.590 18.430 19.000 0.034 0.000 1.118 183 A HN 0.901 nan 8.150 nan 0.000 0.482 184 N N 0.448 119.172 118.700 0.040 0.000 2.299 184 N HA 0.180 4.920 4.740 0.000 0.000 0.246 184 N C -0.927 174.616 175.510 0.056 0.000 1.254 184 N CA -0.272 52.810 53.050 0.053 0.000 0.879 184 N CB 1.128 39.676 38.487 0.102 0.000 1.214 184 N HN 0.122 nan 8.380 nan 0.000 0.510 185 V N 2.432 122.372 119.914 0.042 0.000 2.270 185 V HA 0.247 4.367 4.120 0.000 0.000 0.263 185 V C -1.337 174.770 176.094 0.023 0.000 1.066 185 V CA -1.382 60.938 62.300 0.035 0.000 0.857 185 V CB 1.067 32.910 31.823 0.034 0.000 1.099 185 V HN 0.034 nan 8.190 nan 0.000 0.476 186 P HA -0.243 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 0.215 31.924 31.700 0.015 0.000 0.787 187 Q N -2.142 117.662 119.800 0.006 0.000 2.247 187 Q HA 0.182 4.522 4.340 0.000 0.000 0.211 187 Q C -0.144 175.853 176.000 -0.005 0.000 0.861 187 Q CA 0.058 55.861 55.803 -0.000 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 2.313 118.013 115.700 -0.001 0.000 2.520 188 S HA 0.217 4.687 4.470 0.000 0.000 0.324 188 S C -0.406 174.189 174.600 -0.008 0.000 1.069 188 S CA -0.722 57.475 58.200 -0.005 0.000 1.121 188 S CB 0.485 63.688 63.200 0.006 0.000 0.971 188 S HN 0.183 nan 8.310 nan 0.000 0.463 189 K N 2.810 123.195 120.400 -0.025 0.000 2.118 189 K HA 0.408 4.728 4.320 0.000 0.000 0.264 189 K C -0.383 176.186 176.600 -0.053 0.000 1.000 189 K CA -0.768 55.501 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 0.432 nan 8.250 nan 0.000 0.463 190 Q N 1.039 120.812 119.800 -0.045 0.000 2.199 190 Q HA 0.366 4.706 4.340 0.000 0.000 0.232 190 Q C -0.652 175.253 176.000 -0.158 0.000 0.969 190 Q CA -0.756 54.981 55.803 -0.110 0.000 0.925 190 Q CB 1.344 30.093 28.738 0.018 0.000 1.198 190 Q HN 0.441 nan 8.270 nan 0.000 0.494 191 R N 0.864 121.197 120.500 -0.278 0.000 2.515 191 R HA 0.401 4.741 4.340 0.000 0.000 0.291 191 R C -1.744 174.424 176.300 -0.220 0.000 1.046 191 R CA -0.773 55.208 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 3.514 124.620 121.223 -0.194 0.000 2.324 192 L HA 0.397 4.737 4.340 0.000 0.000 0.274 192 L C -0.703 176.057 176.870 -0.184 0.000 1.012 192 L CA -0.223 54.487 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 -1.463 175.003 176.600 -0.223 0.000 1.041 193 K CA -0.493 55.714 56.287 -0.133 0.000 0.905 193 K CB 0.664 33.128 32.500 -0.060 0.000 1.068 193 K HN 0.687 nan 8.250 nan 0.000 0.470 194 L N 4.532 125.596 121.223 -0.266 0.000 2.325 194 L HA 0.364 4.704 4.340 0.000 0.000 0.281 194 L C -0.488 176.129 176.870 -0.421 0.000 1.004 194 L CA -0.600 53.951 54.840 -0.481 0.000 0.823 194 L CB 1.798 43.439 42.059 -0.697 0.000 1.236 194 L HN 0.609 nan 8.230 nan 0.000 0.415 195 E N 3.790 123.726 120.200 -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 1.434 31.046 29.700 -0.147 0.000 1.121 195 E HN 0.256 nan 8.360 nan 0.000 0.413 196 F N 1.305 121.276 119.950 0.036 0.000 2.370 196 F HA 0.403 4.930 4.527 0.000 0.000 0.319 196 F C 1.110 176.932 175.800 0.036 0.000 1.129 196 F CA -0.733 57.302 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 -0.263 51.872 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 -0.630 118.187 118.700 0.194 0.000 3.102 198 N HA 0.234 4.974 4.740 0.000 0.000 0.299 198 N C -0.044 175.715 175.510 0.415 0.000 1.482 198 N CA -0.822 52.377 53.050 0.248 0.000 0.785 198 N CB 0.102 38.701 38.487 0.186 0.000 1.680 198 N HN 0.293 nan 8.380 nan 0.000 0.594 199 N N -0.295 118.677 118.700 0.454 0.000 2.272 199 N HA -0.165 4.575 4.740 0.000 0.000 0.185 199 N C 0.887 176.580 175.510 0.305 0.000 1.014 199 N CA 1.083 54.413 53.050 0.468 0.000 0.870 199 N CB -0.605 38.142 38.487 0.433 0.000 0.975 199 N HN 0.682 nan 8.380 nan 0.000 0.433 200 N N 0.298 119.125 118.700 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 2.055 55.198 53.050 0.154 0.000 0.849 200 N CB -0.418 38.144 38.487 0.124 0.000 1.002 200 N HN 0.312 nan 8.380 nan 0.000 0.425 201 T N -2.833 111.772 114.554 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 0.933 63.064 62.100 0.052 0.000 1.139 201 T CB -0.524 68.395 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 0.406 4.726 4.320 0.000 0.000 0.217 202 A C 0.273 177.411 177.584 -0.743 0.000 1.156 202 A CA 0.122 51.826 52.037 -0.554 0.000 0.683 202 A CB -0.406 18.047 19.000 -0.913 0.000 0.808 202 A HN 0.526 nan 8.150 nan 0.000 0.455 203 F N -0.528 119.475 119.950 0.088 0.000 2.449 203 F HA 0.671 5.198 4.527 0.000 0.000 0.342 203 F C 0.270 176.101 175.800 0.052 0.000 1.127 203 F CA -1.487 56.550 58.000 0.062 0.000 0.975 203 F CB 1.423 40.441 39.000 0.029 0.000 1.146 203 F HN 0.082 nan 8.300 nan 0.000 0.444 204 A N 2.096 125.029 122.820 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 0.647 19.678 19.000 0.052 0.000 1.198 204 A HN 0.943 nan 8.150 nan 0.000 0.484 205 A N 1.670 124.533 122.820 0.072 0.000 2.346 205 A HA 0.531 4.851 4.320 0.000 0.000 0.252 205 A C 0.439 178.040 177.584 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 1.075 120.996 119.914 0.011 0.000 2.694 206 V HA 0.356 4.476 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 1.863 64.166 62.300 0.005 0.000 1.161 206 V CB 0.062 31.881 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 1.528 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 0.127 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 1.230 119.950 118.700 0.033 0.000 2.431 209 N HA 0.129 4.869 4.740 0.000 0.000 0.265 209 N C -1.682 173.849 175.510 0.034 0.000 1.184 209 N CA -1.451 51.633 53.050 0.057 0.000 0.943 209 N CB 0.981 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 1.551 178.672 177.300 -0.299 0.000 1.229 210 P CA -0.087 62.936 63.100 -0.128 0.000 0.788 210 P CB 0.456 32.056 31.700 -0.168 0.000 1.072 211 L N 1.559 122.622 121.223 -0.266 0.000 2.010 211 L HA -0.201 4.139 4.340 0.000 0.000 0.219 211 L C 1.714 178.394 176.870 -0.316 0.000 1.077 211 L CA 2.193 56.766 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 -0.672 119.490 120.200 -0.063 0.000 2.481 212 E HA 0.312 4.662 4.350 0.000 0.000 0.198 212 E C 0.476 177.102 176.600 0.044 0.000 1.027 212 E CA 0.171 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 0.589 123.384 122.820 -0.042 0.000 2.271 213 A HA 0.396 4.716 4.320 0.000 0.000 0.288 213 A C 0.783 178.321 177.584 -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 -1.383 119.128 120.570 -0.098 0.000 3.039 214 I HA 0.116 4.286 4.170 0.000 0.000 0.270 214 I C -0.394 175.515 176.117 -0.346 0.000 1.150 214 I CA 0.656 61.859 61.300 -0.162 0.000 1.448 214 I CB 0.008 37.964 38.000 -0.074 0.000 1.197 214 I HN 0.581 nan 8.210 nan 0.000 0.450 215 Y N 0.426 120.750 120.300 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 57.368 58.100 0.104 0.000 1.044 215 Y CB 1.723 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 1.528 121.449 119.800 0.202 0.000 2.331 216 Q HA 0.762 5.102 4.340 0.000 0.000 0.272 216 Q C -1.013 175.041 176.000 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 0.479 109.309 108.800 0.049 0.000 2.316 217 G HA2 0.382 4.342 3.960 0.000 0.000 0.296 217 G HA3 0.382 4.342 3.960 0.000 0.000 0.296 217 G C -0.371 174.495 174.900 -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 0.354 4.674 4.320 0.000 0.000 0.218 218 A C 2.153 179.503 177.584 -0.389 0.000 1.157 218 A CA 2.516 54.442 52.037 -0.185 0.000 0.689 218 A CB -0.367 18.528 19.000 -0.175 0.000 0.787 218 A HN 1.912 nan 8.150 nan 0.000 0.465 219 G N -1.712 106.867 108.800 -0.369 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 0.835 45.665 45.100 -0.450 0.000 0.763 219 G HN 0.582 nan 8.290 nan 0.000 0.549 220 A N 1.542 124.303 122.820 -0.097 0.000 1.892 220 A HA 0.066 4.386 4.320 0.000 0.000 0.218 220 A C 2.769 180.341 177.584 -0.021 0.000 1.188 220 A CA 2.343 54.364 52.037 -0.027 0.000 0.631 220 A CB -0.777 18.271 19.000 0.080 0.000 0.822 220 A HN 0.830 nan 8.150 nan 0.000 0.447 221 A N -0.723 122.116 122.820 0.033 0.000 2.024 221 A HA -0.166 4.154 4.320 0.000 0.000 0.220 221 A C 1.371 178.963 177.584 0.013 0.000 1.164 221 A CA 1.799 53.867 52.037 0.052 0.000 0.643 221 A CB -0.360 18.686 19.000 0.077 0.000 0.806 221 A HN 0.491 nan 8.150 nan 0.000 0.451 222 D N -1.211 119.187 120.400 -0.002 0.000 2.388 222 D HA 0.185 4.825 4.640 0.000 0.000 0.221 222 D C -0.384 175.802 176.300 -0.191 0.000 1.133 222 D CA -0.028 53.939 54.000 -0.055 0.000 0.831 222 D CB -0.128 40.669 40.800 -0.005 0.000 0.962 222 D HN 0.284 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 58.070 59.018 -0.792 0.000 2.131 223 C CB 0.802 27.578 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 -1.411 175.204 176.600 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 0.343 58.446 58.000 0.172 0.000 1.268 225 F CB 0.715 39.799 39.000 0.141 0.000 1.161 225 F HN 0.492 nan 8.300 nan 0.000 0.583 226 E N 1.114 121.448 120.200 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 0.102 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 0.501 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 -0.144 0.000 0.856 227 E CB 0.927 30.539 29.700 -0.147 0.000 1.303 227 E HN -0.132 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 59.970 61.300 -0.791 0.000 1.038 228 I CB 2.407 39.712 38.000 -1.159 0.000 1.238 228 I HN 0.535 nan 8.210 nan 0.000 0.420 229 S N 3.591 118.996 115.700 -0.492 0.000 2.548 229 S HA 0.725 5.195 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 1.973 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 -1.083 119.122 120.300 -0.159 0.000 2.553 230 Y HA 0.860 5.410 4.550 0.000 0.000 0.347 230 Y C -0.904 174.969 175.900 -0.045 0.000 1.019 230 Y CA -0.890 57.182 58.100 -0.048 0.000 1.032 230 Y CB 1.146 39.656 38.460 0.083 0.000 1.284 230 Y HN 0.421 nan 8.280 nan 0.000 0.466 231 T N 3.027 117.710 114.554 0.216 0.000 2.937 231 T HA 0.510 4.860 4.350 0.000 0.000 0.297 231 T C -1.426 173.369 174.700 0.158 0.000 0.991 231 T CA -0.643 61.500 62.100 0.073 0.000 0.990 231 T CB 1.397 70.247 68.868 -0.030 0.000 0.991 231 T HN 0.623 nan 8.240 nan 0.000 0.440 232 V N 4.232 124.217 119.914 0.119 0.000 2.394 232 V HA 0.473 4.593 4.120 0.000 0.000 0.282 232 V C -1.089 175.035 176.094 0.050 0.000 1.031 232 V CA -0.733 61.663 62.300 0.159 0.000 0.881 232 V CB 0.721 32.631 31.823 0.145 0.000 0.982 232 V HN 0.802 nan 8.190 nan 0.000 0.451 233 Y N 3.006 123.488 120.300 0.303 0.000 2.352 233 Y HA 0.503 5.053 4.550 0.000 0.000 0.339 233 Y C 0.299 176.394 175.900 0.326 0.000 0.992 233 Y CA -0.365 57.908 58.100 0.290 0.000 1.100 233 Y CB 1.701 40.324 38.460 0.272 0.000 1.192 233 Y HN 0.559 nan 8.280 nan 0.000 0.458 234 Q N 2.090 122.152 119.800 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 55.408 55.803 0.272 0.000 0.912 234 Q CB 1.331 30.271 28.738 0.337 0.000 1.244 234 Q HN 0.662 nan 8.270 nan 0.000 0.441 235 S N 4.200 119.943 115.700 0.071 0.000 2.442 235 S HA 0.625 5.095 4.470 0.000 0.000 0.297 235 S C -1.391 173.270 174.600 0.101 0.000 1.131 235 S CA -0.355 57.912 58.200 0.112 0.000 1.092 235 S CB 0.220 63.595 63.200 0.291 0.000 0.998 235 S HN 0.559 nan 8.310 nan 0.000 0.478 236 Y N 2.093 122.380 120.300 -0.021 0.000 2.705 236 Y HA 0.712 5.262 4.550 0.000 0.000 0.332 236 Y C -1.883 174.004 175.900 -0.022 0.000 1.221 236 Y CA -1.561 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 0.403 nan 8.280 nan 0.000 0.459 237 L N 2.398 123.711 121.223 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 54.315 54.840 0.050 0.000 0.816 237 L CB 1.442 43.507 42.059 0.010 0.000 1.236 237 L HN 0.667 nan 8.230 nan 0.000 0.419 238 D N 1.610 122.092 120.400 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 0.037 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 2.156 123.345 121.223 -0.057 0.000 2.499 240 L HA 0.139 4.479 4.340 0.000 0.000 0.273 240 L C -1.160 175.701 176.870 -0.015 0.000 1.195 240 L CA -1.289 53.464 54.840 -0.145 0.000 0.882 240 L CB -0.093 41.664 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 -0.755 176.652 177.300 0.179 0.000 1.204 241 P CA -0.068 63.086 63.100 0.089 0.000 0.768 241 P CB 1.180 32.914 31.700 0.056 0.000 0.842 242 V N 3.074 123.095 119.914 0.177 0.000 2.581 242 V HA 0.738 4.858 4.120 0.000 0.000 0.303 242 V C 0.924 177.072 176.094 0.090 0.000 1.041 242 V CA -0.063 62.342 62.300 0.176 0.000 0.907 242 V CB 1.652 33.556 31.823 0.135 0.000 0.994 242 V HN 0.893 nan 8.190 nan 0.000 0.442 243 G N 1.945 110.786 108.800 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 -0.196 174.717 174.900 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 0.468 176.472 176.000 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 27.382 28.738 0.008 0.000 1.688 244 Q HN 2.150 nan 8.270 nan 0.000 0.554 245 N N -1.819 116.880 118.700 -0.001 0.000 3.383 245 N HA 0.455 5.195 4.740 0.000 0.000 0.149 245 N C 1.147 176.647 175.510 -0.016 0.000 1.122 245 N CA 0.813 53.861 53.050 -0.005 0.000 2.933 245 N CB -1.079 37.413 38.487 0.008 0.000 1.193 245 N HN 2.030 nan 8.380 nan 0.000 0.838 246 G N -0.400 108.380 108.800 -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 44.927 45.100 -0.095 0.000 0.916 246 G HN 1.193 nan 8.290 nan 0.000 0.574 247 Y N 0.623 120.934 120.300 0.017 0.000 2.717 247 Y HA 0.355 4.905 4.550 0.000 0.000 0.330 247 Y C 1.617 177.527 175.900 0.017 0.000 1.217 247 Y CA -0.233 57.879 58.100 0.020 0.000 1.506 247 Y CB 0.029 38.502 38.460 0.023 0.000 1.268 247 Y HN 0.432 nan 8.280 nan 0.000 0.561 248 I N 6.137 126.824 120.570 0.195 0.000 2.322 248 I HA 0.162 4.332 4.170 0.000 0.000 0.292 248 I C -0.492 175.671 176.117 0.077 0.000 1.060 248 I CA 0.161 61.522 61.300 0.102 0.000 1.309 248 I CB -0.019 38.024 38.000 0.072 0.000 1.415 248 I HN 0.314 nan 8.210 nan 0.000 0.492 249 L N 8.707 129.970 121.223 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 2.443 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 0.156 nan 4.420 nan 0.000 0.268 250 P C 0.727 178.024 177.300 -0.005 0.000 1.541 250 P CA -0.227 62.871 63.100 -0.004 0.000 1.093 250 P CB 0.627 32.318 31.700 -0.015 0.000 1.551 251 L N 2.664 123.887 121.223 0.000 0.000 2.079 251 L HA -0.182 4.158 4.340 0.000 0.000 0.210 251 L C 2.397 179.259 176.870 -0.014 0.000 1.081 251 L CA 1.453 56.294 54.840 0.002 0.000 0.752 251 L CB -0.569 41.494 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 2.286 252 I HA -0.233 3.937 4.170 0.000 0.000 0.245 252 I C 2.094 178.163 176.117 -0.079 0.000 1.104 252 I CA 0.988 62.255 61.300 -0.056 0.000 1.397 252 I CB -0.420 37.538 38.000 -0.071 0.000 1.072 252 I HN 0.204 nan 8.210 nan 0.000 0.417 253 D N 1.309 121.663 120.400 -0.078 0.000 2.106 253 D HA -0.168 4.472 4.640 0.000 0.000 0.191 253 D C 2.178 178.450 176.300 -0.047 0.000 0.997 253 D CA 1.447 55.393 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 0.307 121.522 121.223 -0.012 0.000 2.551 254 L HA -0.007 4.333 4.340 0.000 0.000 0.228 254 L C 1.515 178.405 176.870 0.034 0.000 1.153 254 L CA 0.692 55.546 54.840 0.023 0.000 0.851 254 L CB -0.210 41.867 42.059 0.031 0.000 0.959 254 L HN 0.027 nan 8.230 nan 0.000 0.451 255 S N -3.212 112.492 115.700 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 0.172 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 2.845 117.376 114.554 -0.037 0.000 2.855 256 T HA 0.596 4.946 4.350 0.000 0.000 0.281 256 T C -0.551 174.132 174.700 -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 3.013 124.218 121.223 -0.030 0.000 2.295 257 L HA 0.495 4.835 4.340 0.000 0.000 0.285 257 L C -0.992 175.956 176.870 0.131 0.000 1.035 257 L CA -1.124 53.680 54.840 -0.059 0.000 0.806 257 L CB 0.823 42.732 42.059 -0.249 0.000 1.214 257 L HN 0.625 nan 8.230 nan 0.000 0.426 258 Y N 4.179 124.525 120.300 0.077 0.000 2.388 258 Y HA 0.487 5.037 4.550 0.000 0.000 0.328 258 Y C -0.889 174.961 175.900 -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 4.993 123.259 118.700 -0.724 0.000 2.312 259 N HA 0.556 5.296 4.740 0.000 0.000 0.296 259 N C -1.912 173.087 175.510 -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 0.478 nan 8.380 nan 0.000 0.484 260 L N 0.698 121.621 121.223 -0.501 0.000 2.362 260 L HA 0.525 4.865 4.340 0.000 0.000 0.271 260 L C 0.023 176.876 176.870 -0.028 0.000 1.002 260 L CA -0.220 54.494 54.840 -0.209 0.000 0.818 260 L CB 1.448 43.343 42.059 -0.273 0.000 1.298 260 L HN 0.481 nan 8.230 nan 0.000 0.420 261 E N 1.947 122.274 120.200 0.212 0.000 2.412 261 E HA 0.481 4.831 4.350 0.000 0.000 0.279 261 E C -1.532 175.166 176.600 0.164 0.000 0.984 261 E CA -0.916 55.605 56.400 0.203 0.000 0.788 261 E CB 2.948 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 -0.127 118.603 118.700 0.051 0.000 2.357 262 N HA 0.538 5.278 4.740 0.000 0.000 0.284 262 N C -1.276 174.265 175.510 0.053 0.000 1.236 262 N CA -0.604 52.406 53.050 -0.066 0.000 0.774 262 N CB 2.032 40.355 38.487 -0.272 0.000 1.534 262 N HN 0.483 nan 8.380 nan 0.000 0.478 263 S N -1.294 114.448 115.700 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 64.519 63.200 0.152 0.000 1.137 263 S HN 1.036 nan 8.310 nan 0.000 0.470 264 A N 0.932 123.826 122.820 0.123 0.000 2.342 264 A HA 0.817 5.137 4.320 0.000 0.000 0.323 264 A C -1.004 176.658 177.584 0.131 0.000 1.125 264 A CA -0.678 51.438 52.037 0.132 0.000 0.785 264 A CB 1.247 20.325 19.000 0.131 0.000 1.221 264 A HN 0.620 nan 8.150 nan 0.000 0.463 265 Q N 0.299 120.194 119.800 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 0.289 177.975 177.584 0.171 0.000 1.147 266 A CA -0.171 51.916 52.037 0.083 0.000 0.775 266 A CB 1.558 20.587 19.000 0.048 0.000 1.340 266 A HN 0.975 nan 8.150 nan 0.000 0.427 267 G N -0.813 107.972 108.800 -0.025 0.000 2.157 267 G HA2 0.031 3.990 3.960 0.000 0.000 0.118 267 G HA3 0.031 3.990 3.960 0.000 0.000 0.118 267 G C -0.480 174.390 174.900 -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 1.869 122.842 121.223 -0.415 0.000 2.371 268 L HA 0.757 5.097 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 0.420 54.995 54.840 -0.443 0.000 0.816 268 L CB 1.662 43.335 42.059 -0.643 0.000 1.129 268 L HN 0.414 nan 8.230 nan 0.000 0.448 269 T N 0.233 114.725 114.554 -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 -2.329 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 63.817 63.100 -0.051 0.000 0.760 270 P CB -0.170 31.510 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 -0.676 174.792 175.510 -0.070 0.000 1.069 271 N CA 0.202 53.205 53.050 -0.078 0.000 0.831 271 N CB -1.303 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 0.812 120.683 119.914 -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 -0.679 61.597 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 3.280 123.662 120.400 -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 0.433 54.416 54.000 -0.028 0.000 0.886 273 D CB 0.410 41.218 40.800 0.013 0.000 1.148 273 D HN 0.350 nan 8.370 nan 0.000 0.483 274 F N 3.680 123.537 119.950 -0.154 0.000 2.385 274 F HA 0.315 4.842 4.527 0.000 0.000 0.360 274 F C -0.670 175.071 175.800 -0.098 0.000 1.122 274 F CA -0.787 57.136 58.000 -0.128 0.000 1.090 274 F CB 0.758 39.653 39.000 -0.175 0.000 1.150 274 F HN -0.003 nan 8.300 nan 0.000 0.472 275 V N 7.034 126.677 119.914 -0.451 0.000 2.417 275 V HA 0.379 4.499 4.120 0.000 0.000 0.291 275 V C -0.574 175.253 176.094 -0.444 0.000 1.024 275 V CA -0.874 61.230 62.300 -0.327 0.000 0.861 275 V CB 1.460 33.169 31.823 -0.191 0.000 0.985 275 V HN 0.487 nan 8.190 nan 0.000 0.436 276 V N 5.627 125.379 119.914 -0.270 0.000 2.311 276 V HA 0.300 4.420 4.120 0.000 0.000 0.275 276 V C 0.246 176.208 176.094 -0.220 0.000 1.022 276 V CA -0.616 61.539 62.300 -0.242 0.000 0.830 276 V CB 1.033 32.781 31.823 -0.124 0.000 1.012 276 V HN 0.930 nan 8.190 nan 0.000 0.452 277 Q N 3.275 122.957 119.800 -0.196 0.000 2.364 277 Q HA 0.219 4.559 4.340 0.000 0.000 0.267 277 Q C -0.959 174.892 176.000 -0.248 0.000 0.999 277 Q CA -0.036 55.677 55.803 -0.151 0.000 0.886 277 Q CB 0.803 29.482 28.738 -0.098 0.000 1.243 277 Q HN 0.658 nan 8.270 nan 0.000 0.415 278 Y N 0.961 121.148 120.300 -0.188 0.000 2.573 278 Y HA 0.095 4.645 4.550 0.000 0.000 0.346 278 Y C 1.051 176.826 175.900 -0.208 0.000 1.198 278 Y CA -0.239 57.623 58.100 -0.396 0.000 1.627 278 Y CB 0.091 38.236 38.460 -0.525 0.000 1.457 278 Y HN 0.809 nan 8.280 nan 0.000 0.483 279 A N 2.302 125.047 122.820 -0.125 0.000 2.067 279 A HA -0.114 4.206 4.320 0.000 0.000 0.219 279 A C 1.529 179.029 177.584 -0.141 0.000 1.158 279 A CA 1.424 53.398 52.037 -0.104 0.000 0.661 279 A CB -0.928 18.006 19.000 -0.110 0.000 0.801 279 A HN 0.732 nan 8.150 nan 0.000 0.452 280 N N -1.249 117.332 118.700 -0.198 0.000 2.502 280 N HA 0.547 5.287 4.740 0.000 0.000 0.280 280 N C -0.214 175.120 175.510 -0.293 0.000 1.223 280 N CA -0.391 52.359 53.050 -0.500 0.000 0.966 280 N CB 0.311 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 1.146 122.169 121.223 -0.334 0.000 2.928 281 L HA 0.347 4.687 4.340 0.000 0.000 0.236 281 L C -0.682 176.292 176.870 0.174 0.000 1.290 281 L CA -0.500 54.318 54.840 -0.036 0.000 1.099 281 L CB -1.625 40.427 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 1.170 121.731 120.500 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 -0.412 55.752 56.100 0.107 0.000 0.991 283 R CB -0.132 30.174 30.300 0.011 0.000 1.140 283 R HN 0.450 nan 8.270 nan 0.000 0.518 284 Y N 3.223 123.644 120.300 0.202 0.000 2.531 284 Y HA 0.021 4.571 4.550 0.000 0.000 0.347 284 Y C 1.326 177.306 175.900 0.133 0.000 1.024 284 Y CA -0.228 58.011 58.100 0.231 0.000 1.306 284 Y CB 0.466 39.076 38.460 0.251 0.000 1.149 284 Y HN 0.482 nan 8.280 nan 0.000 0.527 285 L N 1.926 123.279 121.223 0.217 0.000 2.131 285 L HA 0.007 4.347 4.340 0.000 0.000 0.206 285 L C 0.797 177.788 176.870 0.201 0.000 1.087 285 L CA 0.706 55.610 54.840 0.107 0.000 0.767 285 L CB -0.129 41.903 42.059 -0.045 0.000 0.917 285 L HN 0.630 nan 8.230 nan 0.000 0.441 286 S N -2.092 113.792 115.700 0.306 0.000 2.570 286 S HA 0.596 5.066 4.470 0.000 0.000 0.270 286 S C -0.627 174.186 174.600 0.354 0.000 1.149 286 S CA -0.708 57.648 58.200 0.260 0.000 0.837 286 S CB 2.323 65.721 63.200 0.330 0.000 1.124 286 S HN -0.076 nan 8.310 nan 0.000 0.465 287 T N 1.988 116.665 114.554 0.206 0.000 2.921 287 T HA 0.600 4.950 4.350 0.000 0.000 0.297 287 T C -0.923 173.769 174.700 -0.014 0.000 1.013 287 T CA -0.420 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 2.304 122.805 120.570 -0.114 0.000 2.465 288 I HA 0.704 4.874 4.170 0.000 0.000 0.291 288 I C -0.292 175.694 176.117 -0.218 0.000 1.014 288 I CA -1.002 60.269 61.300 -0.048 0.000 1.093 288 I CB 1.726 39.789 38.000 0.105 0.000 1.267 288 I HN 0.722 nan 8.210 nan 0.000 0.431 289 A N 6.460 129.196 122.820 -0.139 0.000 2.335 289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 289 A C -1.021 176.642 177.584 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 -0.245 0.000 1.188 289 A HN 0.404 nan 8.150 nan 0.000 0.460 290 V N 3.438 123.443 119.914 0.152 0.000 2.347 290 V HA 0.296 4.416 4.120 0.000 0.000 0.280 290 V C -0.632 175.638 176.094 0.293 0.000 1.021 290 V CA -0.395 62.036 62.300 0.219 0.000 0.847 290 V CB 1.132 33.040 31.823 0.143 0.000 0.990 290 V HN 0.777 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 0.360 4.887 4.527 0.000 0.000 0.354 291 F C 0.448 176.114 175.800 -0.225 0.000 1.192 291 F CA -1.774 56.226 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 4.263 124.628 120.400 -0.058 0.000 2.435 292 D HA -0.022 4.618 4.640 0.000 0.000 0.230 292 D C -0.105 175.872 176.300 -0.538 0.000 1.215 292 D CA 0.051 53.688 54.000 -0.606 0.000 0.947 292 D CB -0.304 40.380 40.800 -0.193 0.000 1.048 292 D HN 0.266 nan 8.370 nan 0.000 0.512 293 N N 2.830 120.974 118.700 -0.927 0.000 3.050 293 N HA 0.199 4.939 4.740 0.000 0.000 0.289 293 N C 0.785 176.008 175.510 -0.479 0.000 1.209 293 N CA 0.454 53.015 53.050 -0.814 0.000 1.154 293 N CB -0.451 37.339 38.487 -1.162 0.000 1.444 293 N HN 0.618 nan 8.380 nan 0.000 0.529 294 G N 0.878 109.491 108.800 -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 -0.201 0.000 1.047 294 G CA 0.517 45.496 45.100 -0.201 0.000 0.869 294 G HN 1.111 nan 8.290 nan 0.000 0.502 295 G N -2.391 106.246 108.800 -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 0.653 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 0.155 115.618 115.700 -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 57.699 58.200 -0.315 0.000 1.082 296 S CB 0.869 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 2.959 122.800 119.950 -0.180 0.000 2.445 297 F HA 0.439 4.966 4.527 0.000 0.000 0.348 297 F C 0.463 176.197 175.800 -0.110 0.000 1.125 297 F CA -0.854 57.048 58.000 -0.163 0.000 0.983 297 F CB 1.147 40.053 39.000 -0.156 0.000 1.198 297 F HN 0.386 nan 8.300 nan 0.000 0.436 298 N N 1.429 120.121 118.700 -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 2.219 40.680 38.487 -0.044 0.000 1.209 298 N HN 0.565 nan 8.380 nan 0.000 0.503 299 A N 0.620 123.500 122.820 0.099 0.000 3.037 299 A HA 0.461 4.781 4.320 0.000 0.000 0.272 299 A C 1.349 179.041 177.584 0.180 0.000 1.723 299 A CA 0.325 52.441 52.037 0.132 0.000 1.413 299 A CB -1.413 17.645 19.000 0.096 0.000 1.112 299 A HN 0.909 nan 8.150 nan 0.000 0.606 300 G N 1.107 110.075 108.800 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 1.564 46.817 45.100 0.256 0.000 0.622 300 G HN 1.588 nan 8.290 nan 0.000 0.538 301 T N -0.679 113.936 114.554 0.101 0.000 3.025 301 T HA 0.041 4.391 4.350 0.000 0.000 0.270 301 T C 1.488 176.212 174.700 0.041 0.000 1.126 301 T CA 1.875 64.009 62.100 0.058 0.000 1.105 301 T CB -0.233 68.658 68.868 0.039 0.000 0.884 301 T HN 0.620 nan 8.240 nan 0.000 0.522 302 D N 0.286 120.720 120.400 0.057 0.000 2.368 302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 302 D C 0.183 176.557 176.300 0.124 0.000 1.112 302 D CA -0.494 53.546 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 0.484 121.084 120.570 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 2.155 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 3.803 122.395 118.700 -0.179 0.000 2.197 304 N HA 0.011 4.751 4.740 0.000 0.000 0.184 304 N C -0.579 174.919 175.510 -0.020 0.000 1.030 304 N CA 1.372 54.354 53.050 -0.114 0.000 0.851 304 N CB 0.261 38.633 38.487 -0.192 0.000 1.003 304 N HN 0.622 nan 8.380 nan 0.000 0.430 305 Y N -1.848 118.374 120.300 -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 38.914 38.460 -0.086 0.000 1.314 305 Y HN -0.278 nan 8.280 nan 0.000 0.453 306 L N 1.625 122.800 121.223 -0.080 0.000 2.333 306 L HA 0.922 5.262 4.340 0.000 0.000 0.263 306 L C -0.140 176.612 176.870 -0.196 0.000 1.014 306 L CA -0.539 54.014 54.840 -0.477 0.000 0.820 306 L CB 2.216 43.494 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 0.561 5.031 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 57.534 58.200 -0.058 0.000 0.815 307 S CB 1.564 64.754 63.200 -0.017 0.000 1.119 307 S HN 0.580 nan 8.310 nan 0.000 0.470 308 Q N 1.233 121.020 119.800 -0.021 0.000 2.340 308 Q HA 0.551 4.891 4.340 0.000 0.000 0.268 308 Q C -0.927 175.061 176.000 -0.020 0.000 1.031 308 Q CA -0.617 55.195 55.803 0.015 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 1.268 121.760 120.500 -0.014 0.000 2.744 309 R HA 0.586 4.926 4.340 0.000 0.000 0.279 309 R C -1.155 175.117 176.300 -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 0.543 nan 8.270 nan 0.000 0.463 310 T N 1.825 116.335 114.554 -0.074 0.000 2.944 310 T HA 0.328 4.678 4.350 0.000 0.000 0.284 310 T C 1.327 176.007 174.700 -0.033 0.000 1.010 310 T CA -0.006 62.051 62.100 -0.072 0.000 1.025 310 T CB 1.676 70.474 68.868 -0.117 0.000 1.079 310 T HN 0.719 nan 8.240 nan 0.000 0.516 311 A N 1.656 124.468 122.820 -0.012 0.000 1.997 311 A HA -0.201 4.119 4.320 0.000 0.000 0.221 311 A C 2.263 179.840 177.584 -0.012 0.000 1.172 311 A CA 2.517 54.549 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 1.006 nan 8.150 nan 0.000 0.454 312 N N -2.384 116.309 118.700 -0.012 0.000 2.635 312 N HA 0.205 4.945 4.740 0.000 0.000 0.191 312 N C 1.471 176.968 175.510 -0.021 0.000 1.155 312 N CA 1.905 54.947 53.050 -0.013 0.000 0.927 312 N CB -1.473 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 -0.938 118.997 119.950 -0.025 0.000 2.871 313 F HA -0.208 4.319 4.527 0.000 0.000 0.326 313 F C 1.017 176.795 175.800 -0.036 0.000 0.675 313 F CA 1.417 59.401 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 0.509 nan 8.310 nan 0.000 0.493 315 D N 2.189 122.549 120.400 -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 -0.130 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 0.802 nan 8.370 nan 0.000 0.450 316 T N -0.517 113.999 114.554 -0.062 0.000 3.057 316 T HA -0.006 4.344 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 -0.074 61.990 62.100 -0.061 0.000 1.088 316 T CB 0.144 68.963 68.868 -0.082 0.000 0.934 316 T HN 0.598 nan 8.240 nan 0.000 0.497 317 R N 0.273 120.758 120.500 -0.025 0.000 2.714 317 R HA 0.306 4.646 4.340 0.000 0.000 0.214 317 R C -0.871 175.471 176.300 0.070 0.000 1.474 317 R CA -0.658 55.440 56.100 -0.003 0.000 1.435 317 R CB -0.330 29.941 30.300 -0.048 0.000 1.517 317 R HN 0.100 nan 8.270 nan 0.000 0.748 318 K N 2.996 123.397 120.400 0.002 0.000 2.292 318 K HA 0.285 4.605 4.320 0.000 0.000 0.290 318 K C -0.943 175.663 176.600 0.010 0.000 1.083 318 K CA -0.160 56.104 56.287 -0.038 0.000 0.918 318 K CB 0.463 32.830 32.500 -0.222 0.000 1.089 318 K HN 0.450 nan 8.250 nan 0.000 0.473 319 L N 3.426 124.747 121.223 0.163 0.000 2.370 319 L HA 0.350 4.690 4.340 0.000 0.000 0.266 319 L C -0.331 176.670 176.870 0.219 0.000 1.002 319 L CA -1.390 53.569 54.840 0.199 0.000 0.818 319 L CB 1.957 44.198 42.059 0.303 0.000 1.325 319 L HN 0.735 nan 8.230 nan 0.000 0.418 320 D N 0.697 121.198 120.400 0.168 0.000 2.368 320 D HA 0.132 4.772 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 -1.143 52.949 54.000 0.154 0.000 0.906 320 D CB 0.650 41.520 40.800 0.117 0.000 1.187 320 D HN 0.205 nan 8.370 nan 0.000 0.435 321 P HA -0.199 nan 4.420 nan 0.000 0.216 321 P C 0.998 178.463 177.300 0.274 0.000 1.153 321 P CA 1.517 64.715 63.100 0.164 0.000 0.858 321 P CB 0.110 31.870 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 1.903 178.623 176.600 0.200 0.000 1.050 322 K CA 1.513 57.916 56.287 0.194 0.000 0.942 322 K CB -0.621 31.960 32.500 0.134 0.000 0.724 322 K HN 0.171 nan 8.250 nan 0.000 0.446 323 T N 0.470 115.140 114.554 0.193 0.000 2.904 323 T HA -0.138 4.212 4.350 0.000 0.000 0.267 323 T C 1.184 176.008 174.700 0.206 0.000 1.059 323 T CA 0.556 62.753 62.100 0.161 0.000 1.137 323 T CB -0.127 68.816 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 -0.103 4.557 4.660 0.000 0.000 0.309 324 W C 2.472 179.108 176.519 0.194 0.000 1.206 324 W CA 1.324 58.755 57.345 0.143 0.000 1.284 324 W CB -0.647 28.903 29.460 0.150 0.000 1.145 324 W HN 0.293 nan 8.180 nan 0.000 0.502 325 A N 0.960 124.075 122.820 0.491 0.000 1.940 325 A HA -0.103 4.217 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 2.757 55.018 52.037 0.372 0.000 0.631 325 A CB -1.272 17.919 19.000 0.319 0.000 0.814 325 A HN 0.313 nan 8.150 nan 0.000 0.446 326 A N -0.898 122.012 122.820 0.150 0.000 1.908 326 A HA -0.205 4.115 4.320 0.000 0.000 0.218 326 A C 2.091 179.705 177.584 0.050 0.000 1.181 326 A CA 1.740 53.828 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 2.109 178.125 176.000 0.027 0.000 0.977 327 Q CA 1.988 57.767 55.803 -0.039 0.000 0.850 327 Q CB -1.253 27.374 28.738 -0.185 0.000 0.901 327 Q HN 0.642 nan 8.270 nan 0.000 0.429 328 T N 1.037 115.646 114.554 0.092 0.000 2.821 328 T HA -0.052 4.298 4.350 0.000 0.000 0.267 328 T C 1.805 176.567 174.700 0.105 0.000 1.046 328 T CA 0.716 62.943 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 0.693 121.235 120.500 0.069 0.000 2.152 329 R HA 0.042 4.382 4.340 0.000 0.000 0.232 329 R C 2.436 178.741 176.300 0.009 0.000 1.117 329 R CA 0.741 56.853 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 0.123 120.639 120.500 0.026 0.000 2.193 330 R HA 0.025 4.365 4.340 0.000 0.000 0.213 330 R C 1.879 178.195 176.300 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 0.508 121.038 120.500 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 30.392 30.300 0.201 0.000 0.912 331 R HN 0.312 nan 8.270 nan 0.000 0.450 332 I N -3.827 116.695 120.570 -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 0.112 61.310 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 0.253 123.018 122.820 -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 1.705 53.700 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 -1.849 112.640 114.554 -0.108 0.000 2.654 334 T HA 0.498 4.848 4.350 0.000 0.000 0.303 334 T C -2.137 172.484 174.700 -0.131 0.000 1.656 334 T CA 0.131 62.170 62.100 -0.101 0.000 0.971 334 T CB 0.953 69.754 68.868 -0.112 0.000 1.811 334 T HN 0.287 nan 8.240 nan 0.000 0.483 335 D N 0.606 120.949 120.400 -0.095 0.000 2.217 335 D HA 0.523 5.163 4.640 0.000 0.000 0.248 335 D C -0.294 175.920 176.300 -0.143 0.000 1.008 335 D CA -0.132 53.831 54.000 -0.061 0.000 0.914 335 D CB 0.794 41.611 40.800 0.029 0.000 1.182 335 D HN 0.288 nan 8.370 nan 0.000 0.451 336 F N 0.717 120.610 119.950 -0.094 0.000 2.435 336 F HA 0.220 4.747 4.527 0.000 0.000 0.316 336 F C -1.337 174.372 175.800 -0.151 0.000 1.220 336 F CA -1.317 56.553 58.000 -0.217 0.000 1.241 336 F CB -0.231 38.533 39.000 -0.393 0.000 1.234 336 F HN 0.070 nan 8.300 nan 0.000 0.569 337 P HA -0.002 nan 4.420 nan 0.000 0.271 337 P C -1.071 176.268 177.300 0.066 0.000 1.238 337 P CA -0.273 62.903 63.100 0.127 0.000 0.794 337 P CB 0.318 32.195 31.700 0.294 0.000 0.959 338 K N 1.056 121.500 120.400 0.073 0.000 2.530 338 K HA 0.125 4.445 4.320 0.000 0.000 0.280 338 K C 1.285 177.948 176.600 0.104 0.000 1.004 338 K CA 1.269 57.599 56.287 0.071 0.000 1.071 338 K CB -0.753 31.806 32.500 0.098 0.000 0.876 338 K HN 0.854 nan 8.250 nan 0.000 0.487 339 G N 1.191 109.999 108.800 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 0.025 174.850 174.900 -0.124 0.000 0.977 339 G CA 0.064 45.218 45.100 0.091 0.000 0.641 339 G HN 0.430 nan 8.290 nan 0.000 0.533 340 V N 1.086 120.777 119.914 -0.372 0.000 2.370 340 V HA 0.653 4.773 4.120 0.000 0.000 0.279 340 V C -0.313 175.401 176.094 -0.633 0.000 1.029 340 V CA -0.799 61.281 62.300 -0.367 0.000 0.870 340 V CB 0.844 32.449 31.823 -0.364 0.000 0.984 340 V HN 0.245 nan 8.190 nan 0.000 0.451 341 Y N 4.227 124.568 120.300 0.069 0.000 2.393 341 Y HA 0.620 5.170 4.550 0.000 0.000 0.341 341 Y C -0.486 175.596 175.900 0.303 0.000 0.988 341 Y CA -0.876 57.366 58.100 0.237 0.000 1.078 341 Y CB 1.736 40.253 38.460 0.095 0.000 1.203 341 Y HN 0.634 nan 8.280 nan 0.000 0.453 342 Y N 2.165 122.770 120.300 0.509 0.000 2.468 342 Y HA 0.679 5.229 4.550 0.000 0.000 0.342 342 Y C -1.186 175.033 175.900 0.532 0.000 1.021 342 Y CA -1.836 56.463 58.100 0.333 0.000 1.079 342 Y CB 1.740 40.312 38.460 0.186 0.000 1.226 342 Y HN 0.802 nan 8.280 nan 0.000 0.460 343 C N 6.552 125.627 119.300 -0.375 0.000 2.505 343 C HA 0.361 4.821 4.460 0.000 0.000 0.342 343 C C -1.334 173.282 174.990 -0.623 0.000 1.121 343 C CA -0.717 58.133 59.018 -0.280 0.000 1.306 343 C CB -0.060 27.901 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 0.148 176.415 176.300 -0.055 0.000 1.129 344 D CA 0.252 54.120 54.000 -0.220 0.000 0.848 344 D CB 0.685 41.485 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 0.804 39.332 38.487 0.068 0.000 1.332 345 N HN 0.209 nan 8.380 nan 0.000 0.498 346 R N 0.424 120.966 120.500 0.071 0.000 2.073 346 R HA -0.077 4.263 4.340 0.000 0.000 0.234 346 R C 0.663 176.982 176.300 0.032 0.000 1.134 346 R CA 1.268 57.403 56.100 0.059 0.000 0.952 346 R CB -0.083 30.293 30.300 0.126 0.000 0.850 346 R HN 0.264 nan 8.270 nan 0.000 0.433 347 D N 0.311 120.739 120.400 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 0.234 41.057 40.800 0.039 0.000 0.947 347 D HN 0.106 nan 8.370 nan 0.000 0.494 348 K N 0.869 121.302 120.400 0.055 0.000 2.753 348 K HA 0.283 4.603 4.320 0.000 0.000 0.185 348 K C -2.730 173.935 176.600 0.108 0.000 1.071 348 K CA -1.486 54.852 56.287 0.084 0.000 0.999 348 K CB 2.375 34.931 32.500 0.094 0.000 1.244 348 K HN -0.109 nan 8.250 nan 0.000 0.594 349 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 0.124 0.000 0.770 349 P CB 0.472 32.219 31.700 0.078 0.000 0.836 350 I N 3.560 124.246 120.570 0.192 0.000 2.533 350 I HA 0.010 4.180 4.170 0.000 0.000 0.284 350 I C -0.065 176.293 176.117 0.402 0.000 1.109 350 I CA 0.275 61.681 61.300 0.177 0.000 1.412 350 I CB -1.004 36.791 38.000 -0.341 0.000 1.396 350 I HN 0.399 nan 8.210 nan 0.000 0.543 351 Y N 5.902 126.374 120.300 0.288 0.000 2.344 351 Y HA 0.147 4.697 4.550 0.000 0.000 0.328 351 Y C 1.235 177.183 175.900 0.080 0.000 1.067 351 Y CA -1.327 56.854 58.100 0.135 0.000 1.247 351 Y CB 1.295 39.759 38.460 0.007 0.000 1.113 351 Y HN 0.708 nan 8.280 nan 0.000 0.465 352 T N 1.234 115.786 114.554 -0.004 0.000 3.052 352 T HA -0.125 4.225 4.350 0.000 0.000 0.270 352 T C 1.261 175.793 174.700 -0.279 0.000 1.147 352 T CA 1.426 63.495 62.100 -0.051 0.000 1.089 352 T CB -0.185 68.676 68.868 -0.012 0.000 0.875 352 T HN 0.631 nan 8.240 nan 0.000 0.541 353 L N -0.482 120.319 121.223 -0.703 0.000 2.592 353 L HA 0.255 4.595 4.340 0.000 0.000 0.227 353 L C 2.646 179.222 176.870 -0.491 0.000 1.127 353 L CA 0.248 54.716 54.840 -0.620 0.000 0.884 353 L CB -0.249 41.331 42.059 -0.797 0.000 1.065 353 L HN 0.284 nan 8.230 nan 0.000 0.457 354 Q N -0.638 118.805 119.800 -0.596 0.000 2.349 354 Q HA 0.090 4.430 4.340 0.000 0.000 0.209 354 Q C -0.581 175.115 176.000 -0.507 0.000 0.920 354 Q CA 0.638 56.093 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 0.527 176.393 175.900 -0.056 0.000 1.154 355 Y CA -1.793 56.282 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 0.114 109.017 108.800 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 -0.273 174.681 174.900 0.090 0.000 1.248 356 G CA -0.425 44.723 45.100 0.079 0.000 0.914 356 G HN 0.896 nan 8.290 nan 0.000 0.580 357 N N -1.976 116.749 118.700 0.042 0.000 2.441 357 N HA 0.221 4.961 4.740 0.000 0.000 0.251 357 N C -0.243 175.301 175.510 0.056 0.000 1.242 357 N CA -0.402 52.675 53.050 0.046 0.000 0.898 357 N CB 0.443 38.939 38.487 0.016 0.000 1.100 357 N HN 0.158 nan 8.380 nan 0.000 0.443 358 V N 0.535 120.504 119.914 0.091 0.000 2.815 358 V HA 0.752 4.872 4.120 0.000 0.000 0.314 358 V C 0.638 176.881 176.094 0.249 0.000 1.064 358 V CA -0.702 61.655 62.300 0.095 0.000 0.952 358 V CB 1.718 33.530 31.823 -0.017 0.000 1.020 358 V HN 0.831 nan 8.190 nan 0.000 0.439 359 G N 0.752 109.681 108.800 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 -1.933 173.107 174.900 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 1.967 121.905 119.950 -0.019 0.000 2.408 360 F HA 0.657 5.184 4.527 0.000 0.000 0.344 360 F C -0.274 175.497 175.800 -0.048 0.000 1.112 360 F CA -0.507 57.512 58.000 0.032 0.000 1.096 360 F CB 1.727 40.693 39.000 -0.057 0.000 1.129 360 F HN 0.287 nan 8.300 nan 0.000 0.486 361 V N 6.433 126.061 119.914 -0.477 0.000 2.555 361 V HA 0.605 4.725 4.120 0.000 0.000 0.302 361 V C -0.868 175.009 176.094 -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 33.414 31.823 -0.138 0.000 0.991 361 V HN 0.572 nan 8.190 nan 0.000 0.434 362 V N 3.733 123.533 119.914 -0.191 0.000 2.525 362 V HA 0.467 4.587 4.120 0.000 0.000 0.299 362 V C -0.415 175.477 176.094 -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 33.660 31.823 -0.291 0.000 0.999 362 V HN 0.890 nan 8.190 nan 0.000 0.423 363 N N 6.742 125.103 118.700 -0.566 0.000 2.558 363 N HA 0.376 5.116 4.740 0.000 0.000 0.242 363 N C -2.776 172.446 175.510 -0.479 0.000 0.979 363 N CA -1.648 51.042 53.050 -0.599 0.000 0.931 363 N CB 2.551 40.354 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 0.152 177.380 177.300 -0.121 0.000 1.227 364 P CA -0.161 62.811 63.100 -0.214 0.000 0.781 364 P CB 1.987 33.557 31.700 -0.216 0.000 0.906 365 K N 1.583 121.952 120.400 -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 -1.541 173.187 174.700 0.048 0.000 1.031 366 T CA -0.712 61.393 62.100 0.009 0.000 0.993 366 T CB 2.325 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 1.513 33.340 31.823 0.007 0.000 1.011 367 V HN 0.770 nan 8.190 nan 0.000 0.429 368 N N 2.158 120.809 118.700 -0.081 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 0.799 120.560 119.800 -0.065 0.000 2.337 369 Q HA 0.054 4.394 4.340 0.000 0.000 0.270 369 Q C -0.462 175.504 176.000 -0.056 0.000 1.002 369 Q CA 0.361 56.135 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 0.734 119.408 118.700 -0.042 0.000 2.776 370 N HA -0.198 4.542 4.740 0.000 0.000 0.249 370 N C -1.320 174.159 175.510 -0.052 0.000 1.111 370 N CA 0.955 53.982 53.050 -0.038 0.000 0.711 370 N CB -1.731 36.737 38.487 -0.032 0.000 1.065 370 N HN 0.658 nan 8.380 nan 0.000 0.556 371 A N 0.830 123.618 122.820 -0.053 0.000 2.371 371 A HA 0.661 4.981 4.320 0.000 0.000 0.257 371 A C 0.884 178.456 177.584 -0.020 0.000 1.089 371 A CA 0.142 52.163 52.037 -0.027 0.000 0.794 371 A CB 0.646 19.670 19.000 0.040 0.000 1.029 371 A HN 0.470 nan 8.150 nan 0.000 0.488 372 R N 0.816 121.335 120.500 0.031 0.000 2.712 372 R HA 0.614 4.954 4.340 0.000 0.000 0.272 372 R C -2.141 174.195 176.300 0.059 0.000 1.032 372 R CA -0.925 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 2.337 123.579 121.223 0.031 0.000 2.305 373 L HA 0.424 4.764 4.340 0.000 0.000 0.284 373 L C -0.858 176.085 176.870 0.121 0.000 1.013 373 L CA -1.370 53.518 54.840 0.081 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 5.032 126.344 121.223 0.148 0.000 2.257 374 L HA 0.424 4.764 4.340 0.000 0.000 0.290 374 L C 0.120 177.062 176.870 0.120 0.000 1.044 374 L CA -0.141 54.821 54.840 0.202 0.000 0.810 374 L CB 1.101 43.365 42.059 0.341 0.000 1.193 374 L HN 0.531 nan 8.230 nan 0.000 0.425 375 M N 2.806 122.398 119.600 -0.013 0.000 2.238 375 M HA 0.523 5.003 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 -0.339 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 3.423 111.808 108.800 -0.692 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 -1.813 172.708 174.900 -0.633 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 0.138 120.502 120.300 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 57.303 58.100 0.406 0.000 1.059 377 Y CB 2.693 41.520 38.460 0.612 0.000 1.234 377 Y HN 0.510 nan 8.280 nan 0.000 0.461 378 E N 2.641 123.179 120.200 0.564 0.000 2.191 378 E HA 0.461 4.811 4.350 0.000 0.000 0.263 378 E C -1.873 174.901 176.600 0.290 0.000 0.881 378 E CA -0.667 55.903 56.400 0.283 0.000 0.757 378 E CB 1.258 31.149 29.700 0.317 0.000 1.147 378 E HN 0.585 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 0.733 38.994 38.460 -0.332 0.000 1.298 379 Y HN 0.199 nan 8.280 nan 0.000 0.459 380 F N 0.691 120.761 119.950 0.200 0.000 2.492 380 F HA 0.805 5.332 4.527 0.000 0.000 0.327 380 F C 0.211 176.083 175.800 0.120 0.000 1.079 380 F CA -0.888 57.169 58.000 0.096 0.000 0.967 380 F CB 2.180 41.178 39.000 -0.005 0.000 1.169 380 F HN 0.751 nan 8.300 nan 0.000 0.472 381 T N 0.751 115.459 114.554 0.257 0.000 2.885 381 T HA 0.489 4.839 4.350 0.000 0.000 0.322 381 T C -1.114 173.629 174.700 0.072 0.000 1.387 381 T CA -0.675 61.519 62.100 0.157 0.000 1.041 381 T CB 1.058 69.993 68.868 0.111 0.000 1.287 381 T HN 0.716 nan 8.240 nan 0.000 0.491 382 S N 2.872 118.607 115.700 0.059 0.000 2.586 382 S HA 0.435 4.905 4.470 0.000 0.000 0.274 382 S C 1.312 175.925 174.600 0.022 0.000 1.281 382 S CA -0.761 57.450 58.200 0.019 0.000 1.035 382 S CB 1.263 64.473 63.200 0.016 0.000 0.962 382 S HN 0.809 nan 8.310 nan 0.000 0.512 383 R N 1.189 121.690 120.500 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